| 1 | M | 46.4 | Very low | 43.6 | Very low | 236 Ų | 236 | 141.3 Ų | 141.3 | 100% | 1.163 | 82% | 0.82 | S | S | * | * | | | | 0 | 132.6 | 0 | -62.6 | 164.7 | 74.8 | 0 | 0 | 108.3 | | |
| 2 | S | 41.1 | Very low | 43.2 | Very low | 109 Ų | 109 | 139.6 Ų | 139.6 | 76% | 0.762 | 81% | 0.806 | S | S | * | * | | | | -165.9 | 141.3 | -56.5 | -86.2 | 0 | 0 | 0 | 0 | 108.5 | | |
| 3 | S | 41.8 | Very low | 43.1 | Very low | 101 Ų | 101 | 144.8 Ų | 144.8 | 71% | 0.706 | 80% | 0.804 | S | S | * | * | | | trans | 35.8 | 110.7 | 153.7 | 57.3 | 0 | 0 | 0 | 0 | 121.1 | | |
| 4 | M | 56.5 | Low | 42.9 | Very low | 186 Ų | 186 | 148.6 Ų | 148.6 | 92% | 0.916 | 80% | 0.8 | S | S | * | * | | | trans | 168.8 | 99.4 | 135 | -92.9 | 153.7 | 67 | 0 | 0 | 107.2 | | |
| 5 | K | 47.7 | Very low | 43 | Very low | 174 Ų | 174 | 147.8 Ų | 147.8 | 76% | 0.757 | 79% | 0.787 | S | S | * | * | | | cis | 64.7 | 84.1 | 31.8 | -155.8 | -179.1 | 179.7 | -175.6 | 0 | 110.8 | | |
| 6 | G | 42 | Very low | 42.8 | Very low | 78 Ų | 78 | 140.6 Ų | 140.6 | 80% | 0.804 | 76% | 0.759 | S | S | * | * | | | trans | -92.1 | -170.6 | -173.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 7 | S | 46.4 | Very low | 42.9 | Very low | 127 Ų | 127 | 140.3 Ų | 140.3 | 89% | 0.888 | 74% | 0.744 | S | S | * | * | | | trans | -155.2 | 140.7 | -179.9 | 46.7 | 0 | 0 | 0 | 0 | 110.8 | | |
| 8 | F | 37.5 | Very low | 43 | Very low | 198 Ų | 198 | 143.4 Ų | 143.4 | 87% | 0.868 | 75% | 0.751 | S | S | * | * | | | trans | -117 | 110.1 | 173.4 | 179.7 | -78.6 | 0 | 0 | 0 | 108.7 | | |
| 9 | A | 45 | Very low | 42.9 | Very low | 82 Ų | 82 | 147.4 Ų | 147.4 | 68% | 0.678 | 76% | 0.761 | S | S | * | * | | | trans | -163.4 | 127.3 | 165.2 | 0 | 0 | 0 | 0 | 0 | 106 | | |
| 10 | T | 37.2 | Very low | 43 | Very low | 117 Ų | 117 | 143.3 Ų | 143.3 | 72% | 0.718 | 76% | 0.756 | S | S | * | * | | | cis | 66.3 | 63.8 | 47.2 | -45.1 | 0 | 0 | 0 | 0 | 112.9 | | |
| 11 | L | 38.5 | Very low | 42.9 | Very low | 146 Ų | 146 | 145.3 Ų | 145.3 | 76% | 0.764 | 76% | 0.759 | S | S | * | * | | | trans | -126.7 | 119.2 | 147.5 | -99.5 | 100.5 | 0 | 0 | 0 | 106.3 | | |
| 12 | N | 38.1 | Very low | 42.3 | Very low | 121 Ų | 121 | 143.5 Ų | 143.5 | 65% | 0.647 | 74% | 0.739 | S | S | * | * | | | | 73.2 | 110.2 | 91 | -80.5 | -28.8 | 0 | 0 | 0 | 111 | | |
| 13 | R | 41.7 | Very low | 42.4 | Very low | 207 Ų | 207 | 143.2 Ų | 143.2 | 78% | 0.781 | 74% | 0.735 | S | S | * | * | | | | 93.2 | 154 | 75.9 | 174.9 | 178.7 | 170.4 | 165.2 | -2 | 109.2 | | |
| 14 | W | 40.6 | Very low | 42.3 | Very low | 199 Ų | 199 | 146.3 Ų | 146.3 | 75% | 0.754 | 74% | 0.735 | S | S | * | * | | | trans | 80.4 | 110.2 | 162.9 | -103.1 | 38.9 | 0 | 0 | 0 | 120.4 | | |
| 15 | F | 45.1 | Very low | 41.5 | Very low | 136 Ų | 136 | 144.6 Ų | 144.6 | 60% | 0.596 | 73% | 0.73 | S | S | * | * | | | trans | 72.3 | 155 | 145.4 | -70.1 | -113.5 | 0 | 0 | 0 | 118.4 | Q455 | F15-Q455 VanDerWaalsContact N-OE1 3.12Š|
| 16 | G | 38.5 | Very low | 41.4 | Very low | 33 Ų | 33 | 145.1 Ų | 145.1 | 34% | 0.34 | 73% | 0.732 | S | S | . | * | | | cis | -172.7 | 121.1 | 2 | 0 | 0 | 0 | 0 | 0 | 119.2 | Q456 | G16-Q456 VanDerWaalsContact C-NE2 3.34Å; G16-Q456 PolarHBondContact O-NE2 3.42Å |
| 17 | R | 45.5 | Very low | 41.2 | Very low | 135 Ų | 135 | 146.7 Ų | 146.7 | 51% | 0.509 | 73% | 0.731 | S | S | . | * | | | trans | 19 | 120.1 | 154.3 | -58.1 | -173.5 | -165.1 | -176.8 | 2 | 121.6 | | |
| 18 | K | 43.5 | Very low | 40.9 | Very low | 197 Ų | 197 | 144 Ų | 144 | 86% | 0.857 | 72% | 0.724 | S | S | * | * | | | | -165.2 | 176 | 121.7 | -115.6 | 171.3 | -178.7 | 176.4 | 0 | 115.9 | | |
| 19 | K | 42.1 | Very low | 41.2 | Very low | 218 Ų | 218 | 141.9 Ų | 141.9 | 95% | 0.948 | 73% | 0.727 | S | S | * | * | | | trans | -154.1 | 146.5 | -164.2 | -164.9 | -171.1 | -169.7 | -176 | 0 | 112.4 | | |
| 20 | G | 44.1 | Very low | 41 | Very low | 65 Ų | 65 | 140.8 Ų | 140.8 | 67% | 0.67 | 72% | 0.724 | S | S | * | * | | | trans | 145.5 | 162.4 | 160.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 21 | K | 41.9 | Very low | 41.1 | Very low | 187 Ų | 187 | 143 Ų | 143 | 81% | 0.813 | 73% | 0.731 | S | S | * | * | | | cis | -170.2 | 117.3 | -20.8 | -118.8 | -138.4 | 177.6 | 178.8 | 0 | 110.8 | | |
| 22 | W | 33.1 | Very low | 41.3 | Very low | 198 Ų | 198 | 141.5 Ų | 141.5 | 75% | 0.75 | 73% | 0.733 | S | S | * | * | | | trans | 68 | 163.4 | 149.8 | -70.2 | 69.3 | 0 | 0 | 0 | 119.2 | K24 | W22-K24 HydrophobicContact CZ3-CD 4.39Š|
| 23 | P | 43.3 | Very low | 41.6 | Very low | 102 Ų | 102 | 141.1 Ų | 141.1 | 66% | 0.662 | 74% | 0.74 | S | S | * | * | | | cis | -146.7 | 166.2 | -31.9 | 38 | -19.4 | 0 | 0 | 0 | 119.6 | | |
| 24 | K | 40.3 | Very low | 41.4 | Very low | 166 Ų | 166 | 140 Ų | 140 | 72% | 0.722 | 75% | 0.746 | S | S | * | * | | | trans | 38.4 | 133.2 | 138.9 | -66.1 | 179.8 | 172.9 | -179.1 | 0 | 122 | W22 | W22-K24 HydrophobicContact CZ3-CD 4.39Š|
| 25 | N | 40 | Very low | 41.4 | Very low | 150 Ų | 150 | 134.3 Ų | 134.3 | 80% | 0.802 | 75% | 0.749 | S | S | * | * | | | | -159.1 | 153.5 | 106.2 | -102.8 | -37.6 | 0 | 0 | 0 | 115 | | |
| 26 | K | 44.7 | Very low | 41 | Very low | 186 Ų | 186 | 137.4 Ų | 137.4 | 81% | 0.809 | 76% | 0.762 | S | S | * | * | | | trans | 0.9 | 151.2 | 160.7 | -67.2 | 177.7 | -179.8 | -180 | 0 | 121.4 | | |
| 27 | S | 38.2 | Very low | 41.2 | Very low | 111 Ų | 111 | 143.6 Ų | 143.6 | 78% | 0.776 | 79% | 0.786 | S | S | * | * | | | cis | -176 | 138.8 | -9.5 | 47.7 | 0 | 0 | 0 | 0 | 114.3 | | |
| 28 | G | 40.5 | Very low | 41 | Very low | 71 Ų | 71 | 141.8 Ų | 141.8 | 73% | 0.732 | 79% | 0.794 | S | S | * | * | | | trans | 84.5 | 161.4 | 151.8 | 0 | 0 | 0 | 0 | 0 | 118.5 | | |
| 29 | T | 43 | Very low | 40.9 | Very low | 152 Ų | 152 | 143 Ų | 143 | 93% | 0.933 | 80% | 0.8 | S | S | * | * | | | cis | -160 | 143.5 | -17.5 | -68 | 0 | 0 | 0 | 0 | 109.3 | | |
| 30 | G | 41.4 | Very low | 40.7 | Very low | 60 Ų | 60 | 137.4 Ų | 137.4 | 62% | 0.619 | 79% | 0.788 | S | S | * | * | | | trans | 98.9 | 114.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 31 | N | 40 | Very low | 40.5 | Very low | 164 Ų | 164 | 138.5 Ų | 138.5 | 88% | 0.877 | 79% | 0.785 | S | S | * | * | | | | 63.6 | 131.5 | 53.3 | -60.9 | 11.2 | 0 | 0 | 0 | 112.7 | | |
| 32 | S | 42.7 | Very low | 40.3 | Very low | 114 Ų | 114 | 135.7 Ų | 135.7 | 80% | 0.797 | 78% | 0.784 | S | S | * | * | | | cis | -169.8 | 159.8 | -9.7 | 45.9 | 0 | 0 | 0 | 0 | 107.9 | | |
| 33 | S | 42.8 | Very low | 40.6 | Very low | 113 Ų | 113 | 133.4 Ų | 133.4 | 79% | 0.79 | 78% | 0.782 | S | S | * | * | | | cis | -146.8 | 163.3 | 14 | 68.5 | 0 | 0 | 0 | 0 | 111.5 | | |
| 34 | M | 37.4 | Very low | 40.5 | Very low | 184 Ų | 184 | 136.9 Ų | 136.9 | 91% | 0.906 | 79% | 0.794 | S | S | * | * | | | trans | -141.2 | 98.8 | 176.4 | -99.2 | -85.7 | -87.3 | 0 | 0 | 110 | | |
| 35 | G | 40.5 | Very low | 40.4 | Very low | 79 Ų | 79 | 135.3 Ų | 135.3 | 81% | 0.814 | 79% | 0.789 | S | S | * | * | | | trans | -81.7 | 132.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 36 | K | 38.1 | Very low | 40.4 | Very low | 200 Ų | 200 | 136.4 Ų | 136.4 | 87% | 0.87 | 79% | 0.789 | S | S | * | * | | | trans | -98.7 | 118.4 | 178.2 | -62 | 174 | -175.5 | 170.6 | 0 | 111.3 | | |
| 37 | L | 42.4 | Very low | 40.2 | Very low | 164 Ų | 164 | 136 Ų | 136 | 86% | 0.859 | 80% | 0.795 | S | S | * | * | | | trans | -138 | 113 | 155.4 | -71.5 | 178.2 | 0 | 0 | 0 | 106.9 | | |
| 38 | S | 40.2 | Very low | 40.3 | Very low | 97 Ų | 97 | 134.8 Ų | 134.8 | 68% | 0.678 | 79% | 0.786 | S | S | * | * | | | | 100.7 | 98.2 | 73.8 | -75.3 | 0 | 0 | 0 | 0 | 110.6 | S40 | S38-S40 PolarHBondContact O-N 3.19Š|
| 39 | K | 41.8 | Very low | 40.5 | Very low | 222 Ų | 222 | 137.3 Ų | 137.3 | 97% | 0.965 | 79% | 0.787 | S | S | * | * | | | trans | -74.5 | 87.4 | 177.8 | -69.9 | 178.9 | 177.3 | 177.1 | 0 | 111.1 | | |
| 40 | S | 37.7 | Very low | 40 | Very low | 101 Ų | 101 | 137.7 Ų | 137.7 | 71% | 0.706 | 78% | 0.783 | S | S | * | * | | | trans | -160.6 | 143.8 | 165.4 | 62.8 | 0 | 0 | 0 | 0 | 114.6 | S38 | S38-S40 PolarHBondContact O-N 3.19Š|
| 41 | S | 39.7 | Very low | 40.1 | Very low | 87 Ų | 87 | 139.3 Ų | 139.3 | 61% | 0.608 | 78% | 0.782 | S | S | * | * | | | trans | 72.9 | 143 | 157.9 | -153.8 | 0 | 0 | 0 | 0 | 118 | Q43 | S41-Q43 PolarHBondContact O-N 3Š|
| 42 | T | 38.7 | Very low | 40.3 | Very low | 129 Ų | 129 | 137.5 Ų | 137.5 | 79% | 0.791 | 77% | 0.772 | S | S | * | * | | | trans | -72.6 | 101.4 | 178.5 | 47.6 | 0 | 0 | 0 | 0 | 111.9 | | |
| 43 | Q | 39.5 | Very low | 40.4 | Very low | 149 Ų | 149 | 139.9 Ų | 139.9 | 70% | 0.696 | 77% | 0.774 | S | S | * | * | | | trans | -149.5 | 127.6 | 160.1 | -98.5 | 177.3 | -54 | 0 | 0 | 109.1 | S41 | S41-Q43 PolarHBondContact O-N 3Š|
| 44 | L | 40 | Very low | 40.6 | Very low | 175 Ų | 175 | 140.8 Ų | 140.8 | 92% | 0.916 | 77% | 0.77 | S | S | * | * | | | trans | -113.6 | 81 | 178 | -77.6 | 169.7 | 0 | 0 | 0 | 109 | | |
| 45 | H | 39.4 | Very low | 41.2 | Very low | 134 Ų | 134 | 136 Ų | 136 | 62% | 0.62 | 75% | 0.745 | S | S | * | * | | | trans | -138.5 | 26.9 | -172.5 | -69.7 | -73.5 | 0 | 0 | 0 | 114.7 | | |
| 46 | H | 39.2 | Very low | 41.5 | Very low | 173 Ų | 173 | 134.3 Ų | 134.3 | 80% | 0.801 | 72% | 0.719 | S | S | * | * | | | trans | -134 | 39.2 | -176.2 | -53.8 | -58.4 | 0 | 0 | 0 | 113.9 | | |
| 47 | L | 40.3 | Very low | 42.2 | Very low | 178 Ų | 178 | 128 Ų | 128 | 93% | 0.932 | 70% | 0.7 | S | S | * | * | | | trans | -125.7 | 15.9 | 166.9 | -72.8 | 177.4 | 0 | 0 | 0 | 112.5 | | |
| 48 | S | 41 | Very low | 42.6 | Very low | 84 Ų | 84 | 122.5 Ų | 122.5 | 59% | 0.587 | 67% | 0.67 | S | S | * | * | | | trans | -85.3 | 109.8 | 162.1 | -57.9 | 0 | 0 | 0 | 0 | 107.6 | | |
| 49 | T | 44.6 | Very low | 43.5 | Very low | 125 Ų | 125 | 119.7 Ų | 119.7 | 77% | 0.767 | 65% | 0.648 | S | S | * | * | | | trans | -63.4 | 129.8 | 153.3 | -56.3 | 0 | 0 | 0 | 0 | 106.7 | T51 | T49-T51 PolarHBondContact O-N 3.03Š|
| 50 | D | 33.4 | Very low | 44.1 | Very low | 159 Ų | 159 | 115 Ų | 115 | 85% | 0.85 | 63% | 0.629 | S | S | * | * | | | trans | -65 | 107.7 | 176.4 | -82.8 | -59.4 | 0 | 0 | 0 | 109.9 | | |
| 51 | T | 43.7 | Very low | 45.1 | Very low | 95 Ų | 95 | 120.4 Ų | 120.4 | 58% | 0.583 | 64% | 0.635 | S | S | * | * | | | trans | -151 | 104.7 | 169.3 | -49.8 | 0 | 0 | 0 | 0 | 106.6 | T49 | T49-T51 PolarHBondContact O-N 3.03Š|
| 52 | D | 42.6 | Very low | 46.7 | Very low | 125 Ų | 125 | 117.7 Ų | 117.7 | 67% | 0.668 | 61% | 0.614 | S | S | * | * | | | trans | 31.1 | 111.1 | 176.6 | -61.3 | -51.2 | 0 | 0 | 0 | 118.6 | N54 E55 | D52-N54 PolarHBondContact O-N 3.19Å; D52-E55 PolarHBondContact O-N 2.91Å |
| 53 | I | 45.4 | Very low | 48.6 | Very low | 165 Ų | 165 | 116.9 Ų | 116.9 | 85% | 0.846 | 60% | 0.597 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57 | -2.3 | 177.8 | 56.6 | 172.8 | 0 | 0 | 0 | 115.8 | | |
| 54 | N | 47.7 | Very low | 50.2 | Low | 131 Ų | 131 | 110.5 Ų | 110.5 | 70% | 0.701 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.5 | -41.1 | 173.7 | -169.1 | 23.2 | 0 | 0 | 0 | 112.5 | D52 T56 | D52-N54 PolarHBondContact O-N 3.19Å; N54-T56 PolarHBondContact O-N 3.35Å |
| 55 | E | 49.5 | Very low | 51.6 | Low | 83 Ų | 83 | 107.4 Ų | 107.4 | 39% | 0.388 | 56% | 0.555 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -69 | -35.4 | -176.7 | -75.9 | -68 | 113.4 | 0 | 0 | 112.5 | D52 S57 Q58 | D52-E55 PolarHBondContact O-N 2.91Å; E55-S57 VanDerWaalsContact C-N 3.32Å; E55-S57 PolarHBondContact O-N 3.23Å; E55-Q58 PolarHBondContact O-N 3.43Å |
| 56 | T | 46.3 | Very low | 52.7 | Low | 44 Ų | 44 | 105.8 Ų | 105.8 | 27% | 0.27 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -60.4 | -35.1 | -167.5 | -76 | 0 | 0 | 0 | 0 | 113.8 | N54 L59 E60 | N54-T56 PolarHBondContact O-N 3.35Å; T56-L59 PolarHBondContact O-N 3.4Å; T56-E60 WeakPolarHBondContact O-CB 3.45Å; T56-E60 PolarHBondContact O-N 3.16Å |
| 57 | S | 53.3 | Low | 53.7 | Low | 67 Ų | 67 | 99.4 Ų | 99.4 | 47% | 0.469 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -73.4 | -32.4 | -175.2 | -62.5 | 0 | 0 | 0 | 0 | 114.2 | E55 E60 Y61 | E55-S57 VanDerWaalsContact C-N 3.32Å; E55-S57 PolarHBondContact O-N 3.23Å; S57-E60 PolarHBondContact O-N 3.17Å; S57-Y61 VanDerWaalsContact O-CD2 3.27Å; S57-Y61 WeakPolarHBondContact O-CD2 3.13Å |
| 58 | Q | 51.3 | Low | 54.6 | Low | 49 Ų | 49 | 95.3 Ų | 95.3 | 23% | 0.229 | 51% | 0.514 | C | S | . | . | H | α-helix | trans | -72.3 | -33 | 173.5 | -74.8 | -168.4 | 96.2 | 0 | 0 | 111.7 | E55 N62 V171 | E55-Q58 PolarHBondContact O-N 3.43Å; Q58-N62 PolarHBondContact O-ND2 2.9Å; Q58-V171 HydrophobicContact CG-CG2 4.47Å |
| 59 | L | 57.6 | Low | 55.5 | Low | 39 Ų | 39 | 95.5 Ų | 95.5 | 20% | 0.204 | 52% | 0.521 | C | S | . | . | H | α-helix | trans | -69.8 | -34.8 | 171.5 | -64.1 | 177 | 0 | 0 | 0 | 111.6 | T56 Y61 N62 R63 V126 | T56-L59 PolarHBondContact O-N 3.4Å; L59-Y61 PolarHBondContact O-N 3.31Å; L59-N62 CarbonylContact O-C 3.49Å; L59-N62 WeakPolarHBondContact O-CA 3.4Å; L59-N62 WeakPolarHBondContact O-CB 3.45Å; L59-N62 PolarHBondContact O-N 3.07Å; L59-R63 WeakPolarHBondContact O-CG 3.38Å; L59-R63 PolarHBondContact O-N 2.99Å; L59-V126 HydrophobicContact CD2-CB 4.5Å; L59-V126 HydrophobicContact CD2-CG2 4Å |
| 60 | E | 55.5 | Low | 56.1 | Low | 124 Ų | 124 | 93.9 Ų | 93.9 | 58% | 0.579 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -62 | -42 | -177.4 | -172.5 | 163.8 | -140.1 | 0 | 0 | 113.9 | T56 S57 N62 R63 | T56-E60 WeakPolarHBondContact O-CB 3.45Å; T56-E60 PolarHBondContact O-N 3.16Å; S57-E60 PolarHBondContact O-N 3.17Å; E60-N62 PolarHBondContact O-N 2.8Å; E60-R63 PolarHBondContact O-N 2.94Å; E60-R63 VanDerWaalsContact O-N 3.12Å |
| 61 | Y | 58.3 | Low | 57.2 | Low | 213 Ų | 213 | 90 Ų | 90 | 84% | 0.835 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -62.9 | -26.7 | 172.6 | -70.4 | -70.2 | 0 | 0 | 0 | 113.4 | S57 L59 | S57-Y61 VanDerWaalsContact O-CD2 3.27Å; S57-Y61 WeakPolarHBondContact O-CD2 3.13Å; L59-Y61 PolarHBondContact O-N 3.31Å |
| 62 | N | 72.9 | Confident | 58.1 | Low | 31 Ų | 31 | 90 Ų | 90 | 17% | 0.166 | 51% | 0.506 | C | S | . | . | H | α-helix | trans | -89.2 | -9.4 | 177.3 | -73.3 | -66.7 | 0 | 0 | 0 | 113.3 | Q58 L59 E60 I64 L143 S144 E145 | Q58-N62 PolarHBondContact O-ND2 2.9Å; L59-N62 CarbonylContact O-C 3.49Å; L59-N62 WeakPolarHBondContact O-CA 3.4Å; L59-N62 WeakPolarHBondContact O-CB 3.45Å; L59-N62 PolarHBondContact O-N 3.07Å; E60-N62 PolarHBondContact O-N 2.8Å; N62-I64 PolarHBondContact O-N 2.76Å; N62-L143 HydrophobicContact CB-CD2 4.11Å; N62-L143 CarbonylContact O-C 3.52Å; N62-L143 VanDerWaalsContact O-CA 3.29Å; N62-L143 WeakPolarHBondContact O-CA 3.29Å; N62-S144 WeakPolarHBondContact CA-OG 3.26Å; N62-S144 PolarHBondContact O-N 3.14Å; N62-S144 PolarHBondContact O-OG 3.32Å; N62-E145 WeakPolarHBondContact OD1-CG 3.42Å |
| 63 | R | 78.4 | Confident | 59 | Low | 112 Ų | 112 | 92 Ų | 92 | 42% | 0.423 | 52% | 0.517 | S | S | . | . | B | Isolated β-bridge | trans | -74.4 | 109 | -174.5 | -84.4 | 169.8 | -166.1 | 165.6 | 1.1 | 112 | L59 E60 T65 G142 | L59-R63 WeakPolarHBondContact O-CG 3.38Å; L59-R63 PolarHBondContact O-N 2.99Å; E60-R63 PolarHBondContact O-N 2.94Å; E60-R63 VanDerWaalsContact O-N 3.12Å; R63-T65 PolarHBondContact O-N 3.05Å; R63-G142 CarbonylContact C-O 3.55Å; R63-G142 VanDerWaalsContact CA-O 3.29Å; R63-G142 WeakPolarHBondContact CA-O 3.47Å |
| 64 | I | 74.5 | Confident | 60.2 | Low | 14 Ų | 14 | 86.7 Ų | 86.7 | 7% | 0.072 | 50% | 0.497 | C | S | . | . | | | trans | -58.8 | 117.4 | 158.9 | -72.2 | 174.2 | 0 | 0 | 0 | 107.8 | N62 P66 F80 I138 G142 L143 | N62-I64 PolarHBondContact O-N 2.76Å; I64-P66 WeakPolarHBondContact O-CD 3.5Å; I64-F80 HydrophobicContact CB-CD1 4.33Å; I64-F80 HydrophobicContact CD1-CB 3.89Å; I64-F80 HydrophobicContact CD1-CD1 4.32Å; I64-F80 HydrophobicContact CD1-CG 4.08Å; I64-F80 HydrophobicContact CG1-CB 4.38Å; I64-F80 HydrophobicContact CG1-CD1 4.03Å; I64-F80 HydrophobicContact CG1-CG 4.31Å; I64-F80 HydrophobicContact CG2-CD1 3.58Å; I64-F80 HydrophobicContact CG2-CD2 4.38Å; I64-F80 HydrophobicContact CG2-CE1 3.54Å; I64-F80 HydrophobicContact CG2-CE2 4.38Å; I64-F80 HydrophobicContact CG2-CG 4.01Å; I64-F80 HydrophobicContact CG2-CZ 3.95Å; I64-I138 HydrophobicContact CD1-CG2 3.73Å; I64-G142 PolarHBondContact N-O 2.81Å; I64-L143 VanDerWaalsContact CD1-O 3.25Å; I64-L143 WeakPolarHBondContact CD1-O 3.49Å |
| 65 | T | 68.8 | Low | 61.7 | Low | 110 Ų | 110 | 86.5 Ų | 86.5 | 68% | 0.675 | 50% | 0.504 | S | S | * | . | | | trans | -59.5 | 119.7 | 173.3 | -44.6 | 0 | 0 | 0 | 0 | 109.4 | R63 V67 | R63-T65 PolarHBondContact O-N 3.05Å; T65-V67 PolarHBondContact O-N 2.9Å |
| 66 | P | 61.9 | Low | 63.1 | Low | 101 Ų | 101 | 89.5 Ų | 89.5 | 66% | 0.656 | 52% | 0.515 | S | S | * | . | | | trans | -66.8 | 111.8 | -175.2 | 25.3 | -33.5 | 0 | 0 | 0 | 110.1 | I64 | I64-P66 WeakPolarHBondContact O-CD 3.5Š|
| 67 | V | 60.6 | Low | 64.8 | Low | 38 Ų | 38 | 92.1 Ų | 92.1 | 23% | 0.23 | 53% | 0.525 | C | S | . | . | | | trans | -74.1 | 128 | 175.4 | 169.8 | 0 | 0 | 0 | 0 | 108.5 | T65 A69 T71 Q78 F80 | T65-V67 PolarHBondContact O-N 2.9Å; V67-A69 PolarHBondContact O-N 2.95Å; V67-T71 HydrophobicContact CG1-CG2 4Å; V67-T71 WeakPolarHBondContact CG1-OG1 3.36Å; V67-Q78 HydrophobicContact CG2-CG 4.5Å; V67-F80 HydrophobicContact CG2-CZ 3.76Å |
| 68 | P | 59.9 | Low | 66.3 | Low | 92 Ų | 92 | 93.8 Ų | 93.8 | 60% | 0.597 | 53% | 0.525 | S | S | * | . | | | trans | -60.9 | 127.3 | 177.6 | 24.4 | -33.2 | 0 | 0 | 0 | 109.9 | A70 T71 | P68-A70 PolarHBondContact O-N 3.4Å; P68-T71 HydrophobicContact CG-CG2 4.28Å; P68-T71 PolarHBondContact O-N 3.38Å |
| 69 | A | 58.4 | Low | 68.2 | Low | 89 Ų | 89 | 95.1 Ų | 95.1 | 74% | 0.736 | 54% | 0.537 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | -9.1 | -170.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | V67 | V67-A69 PolarHBondContact O-N 2.95Š|
| 70 | A | 57.1 | Low | 69.7 | Low | 91 Ų | 91 | 94.5 Ų | 94.5 | 75% | 0.752 | 53% | 0.532 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.7 | -3.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | P68 S72 | P68-A70 PolarHBondContact O-N 3.4Å; A70-S72 PolarHBondContact O-N 3.21Å |
| 71 | T | 58.4 | Low | 71.6 | Confident | 78 Ų | 78 | 95.9 Ų | 95.9 | 48% | 0.479 | 53% | 0.532 | S | S | . | . | | | trans | -74.4 | 37.1 | -177.5 | 63.5 | 0 | 0 | 0 | 0 | 114.8 | V67 P68 N73 | V67-T71 HydrophobicContact CG1-CG2 4Å; V67-T71 WeakPolarHBondContact CG1-OG1 3.36Å; P68-T71 HydrophobicContact CG-CG2 4.28Å; P68-T71 PolarHBondContact O-N 3.38Å; T71-N73 PolarHBondContact O-N 3.29Å |
| 72 | S | 61.4 | Low | 73.4 | Confident | 94 Ų | 94 | 85.8 Ų | 85.8 | 66% | 0.657 | 49% | 0.493 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.4 | -11.9 | -178.4 | -167.5 | 0 | 0 | 0 | 0 | 114.6 | A70 | A70-S72 PolarHBondContact O-N 3.21Š|
| 73 | N | 60.8 | Low | 74.5 | Confident | 168 Ų | 168 | 85.4 Ų | 85.4 | 90% | 0.898 | 49% | 0.492 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.2 | 7.3 | -179.6 | -83.5 | -31.2 | 0 | 0 | 0 | 114 | T71 | T71-N73 PolarHBondContact O-N 3.29Š|
| 74 | A | 72.2 | Confident | 75.3 | Confident | 52 Ų | 52 | 80.1 Ų | 80.1 | 43% | 0.43 | 47% | 0.472 | S | S | . | . | S | Bend | trans | -76.5 | 139.3 | 168.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | F76 | A74-F76 WeakPolarHBondContact CB-O 3.41Å; A74-F76 PolarHBondContact O-N 2.61Å |
| 75 | P | 78.8 | Confident | 76.3 | Confident | 128 Ų | 128 | 80.3 Ų | 80.3 | 83% | 0.831 | 47% | 0.473 | S | S | * | . | S | Bend | trans | -69.9 | -3.1 | 179.6 | 29 | -35.4 | 0 | 0 | 0 | 113.9 | | |
| 76 | F | 78.7 | Confident | 77.4 | Confident | 145 Ų | 145 | 75.9 Ų | 75.9 | 64% | 0.636 | 45% | 0.445 | S | S | * | . | S | Bend | trans | -146.5 | 142.5 | 170.3 | 48.7 | -95.9 | 0 | 0 | 0 | 108.6 | A74 | A74-F76 WeakPolarHBondContact CB-O 3.41Å; A74-F76 PolarHBondContact O-N 2.61Å |
| 77 | E | 81.2 | Confident | 78.5 | Confident | 100 Ų | 100 | 73.3 Ų | 73.3 | 47% | 0.467 | 43% | 0.428 | S | S | . | . | P | Polyproline II helix | trans | -70.8 | 143.5 | 170.8 | -171 | 177 | 164.4 | 0 | 0 | 110 | T79 G97 A98 R99 | E77-T79 PolarHBondContact O-N 3.33Å; E77-G97 WeakPolarHBondContact OE1-CA 3.49Å; E77-A98 PolarHBondContact OE1-N 2.96Å; E77-R99 PolarHBondContact OE1-N 2.99Å |
| 78 | Q | 84.8 | Confident | 79.5 | Confident | 102 Ų | 102 | 80.5 Ų | 80.5 | 48% | 0.477 | 46% | 0.456 | S | S | . | . | P | Polyproline II helix | trans | -69.7 | 117.8 | 173.1 | -177.6 | 169.7 | -32.2 | 0 | 0 | 109.7 | V67 F80 | V67-Q78 HydrophobicContact CG2-CG 4.5Å; Q78-F80 HydrophobicContact CB-CE2 4.44Å; Q78-F80 HydrophobicContact CG-CE1 4.36Å; Q78-F80 HydrophobicContact CG-CE2 3.97Å; Q78-F80 HydrophobicContact CG-CZ 3.74Å; Q78-F80 WeakPolarHBondContact O-CE2 3.41Å |
| 79 | T | 91.8 | Very high | 80.4 | Confident | 77 Ų | 77 | 83 Ų | 83 | 47% | 0.472 | 47% | 0.465 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 139.5 | 178 | 53.5 | 0 | 0 | 0 | 0 | 111.7 | E77 L96 | E77-T79 PolarHBondContact O-N 3.33Å; T79-L96 CarbonylContact C-O 3.52Å; T79-L96 VanDerWaalsContact CA-O 3.27Å; T79-L96 WeakPolarHBondContact CA-O 3.36Å |
| 80 | F | 90.3 | Very high | 81.9 | Confident | 25 Ų | 25 | 83.2 Ų | 83.2 | 11% | 0.11 | 45% | 0.451 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 147.4 | 179.7 | -59.1 | -88.3 | 0 | 0 | 0 | 109 | I64 V67 Q78 R95 L96 A98 | I64-F80 HydrophobicContact CB-CD1 4.33Å; I64-F80 HydrophobicContact CD1-CB 3.89Å; I64-F80 HydrophobicContact CD1-CD1 4.32Å; I64-F80 HydrophobicContact CD1-CG 4.08Å; I64-F80 HydrophobicContact CG1-CB 4.38Å; I64-F80 HydrophobicContact CG1-CD1 4.03Å; I64-F80 HydrophobicContact CG1-CG 4.31Å; I64-F80 HydrophobicContact CG2-CD1 3.58Å; I64-F80 HydrophobicContact CG2-CD2 4.38Å; I64-F80 HydrophobicContact CG2-CE1 3.54Å; I64-F80 HydrophobicContact CG2-CE2 4.38Å; I64-F80 HydrophobicContact CG2-CG 4.01Å; I64-F80 HydrophobicContact CG2-CZ 3.95Å; V67-F80 HydrophobicContact CG2-CZ 3.76Å; Q78-F80 HydrophobicContact CB-CE2 4.44Å; Q78-F80 HydrophobicContact CG-CE1 4.36Å; Q78-F80 HydrophobicContact CG-CE2 3.97Å; Q78-F80 HydrophobicContact CG-CZ 3.74Å; Q78-F80 WeakPolarHBondContact O-CE2 3.41Å; F80-R95 VanDerWaalsContact O-CA 3.28Å; F80-R95 WeakPolarHBondContact O-CA 3.28Å; F80-L96 PolarHBondContact N-O 3.43Å; F80-L96 PolarHBondContact O-N 2.88Å; F80-L96 VanDerWaalsContact O-N 3.07Å; F80-A98 HydrophobicContact CD2-CB 4.33Å; F80-A98 HydrophobicContact CE2-CB 3.78Å |
| 81 | R | 94.3 | Very high | 83.7 | Confident | 153 Ų | 153 | 84.1 Ų | 84.1 | 58% | 0.577 | 44% | 0.442 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 126.3 | 164.4 | -72.1 | -179.7 | 174.6 | -84.5 | 8.9 | 106.9 | A94 R95 | R81-A94 WeakPolarHBondContact CA-O 3.34Å; R81-R95 HydrophobicContact CG-CG 4Å |
| 82 | I | 95.2 | Very high | 85.5 | Confident | 2 Ų | 2 | 81.9 Ų | 81.9 | 1% | 0.01 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 128.3 | 171.2 | -172.2 | 157.4 | 0 | 0 | 0 | 109.7 | V93 A94 L96 L105 I138 S144 I146 | I82-V93 WeakPolarHBondContact O-CA 3.45Å; I82-A94 HydrophobicContact CG2-CB 4.12Å; I82-A94 PolarHBondContact N-O 2.95Å; I82-A94 PolarHBondContact O-N 2.78Å; I82-L96 HydrophobicContact CG2-CD1 4.21Å; I82-L105 HydrophobicContact CD1-CD2 3.78Å; I82-L105 HydrophobicContact CG1-CD2 4.35Å; I82-L105 HydrophobicContact CG2-CD2 4.18Å; I82-I138 HydrophobicContact CD1-CD1 4.34Å; I82-I138 HydrophobicContact CD1-CG1 4.18Å; I82-I138 HydrophobicContact CD1-CG2 4.08Å; I82-I138 HydrophobicContact CG2-CD1 4.36Å; I82-S144 CarbonylContact C-O 3.49Å; I82-S144 VanDerWaalsContact CA-O 3.28Å; I82-S144 WeakPolarHBondContact CA-O 3.49Å; I82-I146 HydrophobicContact CD1-CD1 4Å; I82-I146 HydrophobicContact CD1-CG1 4.26Å; I82-I146 HydrophobicContact CD1-CG2 4.49Å; I82-I146 HydrophobicContact CG1-CG1 4.49Å |
| 83 | T | 96.2 | Very high | 87.2 | Confident | 23 Ų | 23 | 80.7 Ų | 80.7 | 14% | 0.141 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 122 | 171.9 | -51.2 | 0 | 0 | 0 | 0 | 108.4 | L85 L91 V93 S144 E145 I146 | T83-L85 HydrophobicContact CG2-CD1 4.27Å; T83-L91 HydrophobicContact CG2-CB 4.19Å; T83-V93 HydrophobicContact CG2-CG2 4.12Å; T83-S144 PolarHBondContact N-O 3.02Å; T83-E145 WeakPolarHBondContact CB-OE1 3.35Å; T83-E145 VanDerWaalsContact O-CA 3.31Å; T83-E145 WeakPolarHBondContact O-CA 3.36Å; T83-E145 PolarHBondContact OG1-OE1 2.86Å; T83-I146 PolarHBondContact O-N 2.94Å |
| 84 | V | 96.1 | Very high | 88.8 | Confident | 0 Ų | 0 | 73.2 Ų | 73.2 | 0% | 0 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 120.6 | 166.3 | -178.7 | 0 | 0 | 0 | 0 | 107.7 | L86 L91 F92 L105 V109 F122 I146 L148 | V84-L86 HydrophobicContact CB-CD1 4.33Å; V84-L86 HydrophobicContact CG1-CD1 3.95Å; V84-L86 WeakPolarHBondContact O-CD1 3.4Å; V84-L91 CarbonylContact O-C 3.56Å; V84-L91 VanDerWaalsContact O-CA 3.24Å; V84-L91 WeakPolarHBondContact O-CA 3.36Å; V84-F92 HydrophobicContact CB-CB 4.34Å; V84-F92 HydrophobicContact CG2-CD1 4.44Å; V84-F92 PolarHBondContact N-O 3.13Å; V84-F92 PolarHBondContact O-N 3.1Å; V84-L105 HydrophobicContact CG2-CD1 4.1Å; V84-L105 HydrophobicContact CG2-CD2 4.09Å; V84-L105 HydrophobicContact CG2-CG 4.27Å; V84-V109 HydrophobicContact CB-CG2 4.21Å; V84-V109 HydrophobicContact CG1-CG1 4.39Å; V84-V109 HydrophobicContact CG1-CG2 4.17Å; V84-V109 HydrophobicContact CG2-CG2 3.86Å; V84-F122 HydrophobicContact CG1-CD1 4.48Å; V84-F122 HydrophobicContact CG1-CE1 3.77Å; V84-F122 HydrophobicContact CG2-CE1 4.22Å; V84-I146 CarbonylContact C-O 3.5Å; V84-I146 WeakPolarHBondContact CA-O 3.34Å; V84-I146 HydrophobicContact CG2-CD1 4.21Å; V84-I146 HydrophobicContact CG2-CG1 3.97Å; V84-L148 HydrophobicContact CG1-CB 3.85Å |
| 85 | L | 94.8 | Very high | 89.9 | Confident | 18 Ų | 18 | 78.2 Ų | 78.2 | 9% | 0.094 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 123.2 | 171.7 | -67.7 | 75.8 | 0 | 0 | 0 | 108 | T83 P125 E145 I146 R147 L148 F166 | T83-L85 HydrophobicContact CG2-CD1 4.27Å; L85-P125 HydrophobicContact CD1-CB 4.49Å; L85-E145 HydrophobicContact CD1-CB 4.07Å; L85-I146 WeakPolarHBondContact CD1-O 3.38Å; L85-I146 PolarHBondContact N-O 3.02Å; L85-R147 HydrophobicContact CB-CG 4.41Å; L85-L148 PolarHBondContact O-N 3.31Å; L85-F166 HydrophobicContact CD2-CD1 4.07Å; L85-F166 HydrophobicContact CD2-CE1 3.6Å; L85-F166 HydrophobicContact CD2-CZ 4.05Å |
| 86 | L | 93.2 | Very high | 90.6 | Very high | 18 Ų | 18 | 73.6 Ų | 73.6 | 9% | 0.094 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 160 | 177.9 | -78.3 | 92.8 | 0 | 0 | 0 | 111.2 | V84 Q90 F92 V109 K113 L115 L148 | V84-L86 HydrophobicContact CB-CD1 4.33Å; V84-L86 HydrophobicContact CG1-CD1 3.95Å; V84-L86 WeakPolarHBondContact O-CD1 3.4Å; L86-Q90 HydrophobicContact CB-CB 4.08Å; L86-Q90 PolarHBondContact N-O 2.8Å; L86-F92 HydrophobicContact CD1-CB 3.77Å; L86-V109 HydrophobicContact CD1-CG1 4.15Å; L86-V109 HydrophobicContact CD2-CG1 4.02Å; L86-V109 HydrophobicContact CG-CG1 4.38Å; L86-K113 HydrophobicContact CD2-CB 4.11Å; L86-K113 HydrophobicContact CD2-CD 4.05Å; L86-K113 HydrophobicContact CD2-CG 3.68Å; L86-L115 HydrophobicContact CD2-CD1 3.98Å; L86-L148 HydrophobicContact CD2-CD2 4Å; L86-L148 HydrophobicContact CG-CB 4.41Å; L86-L148 HydrophobicContact CG-CD2 4.05Å |
| 87 | P | 83.6 | Confident | 91.3 | Very high | 47 Ų | 47 | 66.9 Ų | 66.9 | 31% | 0.305 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | 149.7 | 169.1 | -23.7 | 35.2 | 0 | 0 | 0 | 111.8 | L148 | P87-L148 WeakPolarHBondContact CD-O 3.38Š|
| 88 | K | 81.3 | Confident | 91.8 | Very high | 188 Ų | 188 | 62.9 Ų | 62.9 | 82% | 0.817 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.8 | 43.9 | -179.7 | -46.5 | 168.2 | -175.5 | 172.3 | 0 | 114.3 | Q90 | K88-Q90 PolarHBondContact O-N 2.98Š|
| 89 | D | 79.7 | Confident | 92.2 | Very high | 146 Ų | 146 | 66.3 Ų | 66.3 | 78% | 0.781 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.5 | 28.2 | 175.9 | -58.8 | -22 | 0 | 0 | 0 | 114.6 | | |
| 90 | Q | 90.2 | Very high | 92.3 | Very high | 93 Ų | 93 | 64.2 Ų | 64.2 | 44% | 0.435 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 154 | 174.8 | -69.9 | -167.7 | 40.9 | 0 | 0 | 111.1 | L86 K88 | L86-Q90 HydrophobicContact CB-CB 4.08Å; L86-Q90 PolarHBondContact N-O 2.8Å; K88-Q90 PolarHBondContact O-N 2.98Å |
| 91 | L | 95.5 | Very high | 92.6 | Very high | 110 Ų | 110 | 65 Ų | 65 | 58% | 0.576 | 31% | 0.311 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 159.4 | 171.2 | 53.3 | 83.6 | 0 | 0 | 0 | 111.3 | T83 V84 V93 K113 | T83-L91 HydrophobicContact CG2-CB 4.19Å; V84-L91 CarbonylContact O-C 3.56Å; V84-L91 VanDerWaalsContact O-CA 3.24Å; V84-L91 WeakPolarHBondContact O-CA 3.36Å; L91-V93 HydrophobicContact CD1-CG2 3.84Å; L91-K113 PolarHBondContact O-NZ 3.18Å |
| 92 | F | 96 | Very high | 92.7 | Very high | 31 Ų | 31 | 57.8 Ų | 57.8 | 14% | 0.136 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 121.4 | 171.6 | 174.4 | -90.5 | 0 | 0 | 0 | 108.3 | V84 L86 A94 L105 L108 V109 N112 | V84-F92 HydrophobicContact CB-CB 4.34Å; V84-F92 HydrophobicContact CG2-CD1 4.44Å; V84-F92 PolarHBondContact N-O 3.13Å; V84-F92 PolarHBondContact O-N 3.1Å; L86-F92 HydrophobicContact CD1-CB 3.77Å; F92-A94 HydrophobicContact CE1-CB 3.88Å; F92-L105 HydrophobicContact CE1-CD1 4.23Å; F92-L108 HydrophobicContact CE1-CD2 4.08Å; F92-L108 HydrophobicContact CE1-CG 4.2Å; F92-L108 HydrophobicContact CZ-CD2 3.93Å; F92-L108 HydrophobicContact CZ-CG 3.81Å; F92-V109 HydrophobicContact CD1-CB 4.47Å; F92-V109 HydrophobicContact CD1-CG2 3.51Å; F92-V109 HydrophobicContact CE1-CG2 3.86Å; F92-V109 HydrophobicContact CG-CG2 4.12Å; F92-N112 HydrophobicContact CD2-CB 4.29Å; F92-N112 HydrophobicContact CE2-CB 3.81Å |
| 93 | V | 95.9 | Very high | 92.7 | Very high | 68 Ų | 68 | 59.4 Ų | 59.4 | 41% | 0.412 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 120.9 | -175 | 178.2 | 0 | 0 | 0 | 0 | 110 | I82 T83 L91 | I82-V93 WeakPolarHBondContact O-CA 3.45Å; T83-V93 HydrophobicContact CG2-CG2 4.12Å; L91-V93 HydrophobicContact CD1-CG2 3.84Å |
| 94 | A | 95.3 | Very high | 92.7 | Very high | 12 Ų | 12 | 64.8 Ų | 64.8 | 10% | 0.099 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 164.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112 | R81 I82 F92 L96 L108 | R81-A94 WeakPolarHBondContact CA-O 3.34Å; I82-A94 HydrophobicContact CG2-CB 4.12Å; I82-A94 PolarHBondContact N-O 2.95Å; I82-A94 PolarHBondContact O-N 2.78Å; F92-A94 HydrophobicContact CE1-CB 3.88Å; A94-L96 HydrophobicContact CB-CD1 4.05Å; A94-L96 HydrophobicContact CB-CG 4.02Å; A94-L108 HydrophobicContact CB-CD2 4.49Å |
| 95 | R | 95.3 | Very high | 92.7 | Very high | 157 Ų | 157 | 64.8 Ų | 64.8 | 59% | 0.592 | 32% | 0.317 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 112.4 | 165.8 | -90.4 | 179.7 | 158.3 | 177.9 | -9.2 | 109.1 | F80 R81 | F80-R95 VanDerWaalsContact O-CA 3.28Å; F80-R95 WeakPolarHBondContact O-CA 3.28Å; R81-R95 HydrophobicContact CG-CG 4Å |
| 96 | L | 93.9 | Very high | 92.8 | Very high | 30 Ų | 30 | 64.4 Ų | 64.4 | 16% | 0.157 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 151.2 | -171.4 | -64.4 | 175.2 | 0 | 0 | 0 | 110.8 | T79 F80 I82 A94 V100 L105 I138 | T79-L96 CarbonylContact C-O 3.52Å; T79-L96 VanDerWaalsContact CA-O 3.27Å; T79-L96 WeakPolarHBondContact CA-O 3.36Å; F80-L96 PolarHBondContact N-O 3.43Å; F80-L96 PolarHBondContact O-N 2.88Å; F80-L96 VanDerWaalsContact O-N 3.07Å; I82-L96 HydrophobicContact CG2-CD1 4.21Å; A94-L96 HydrophobicContact CB-CD1 4.05Å; A94-L96 HydrophobicContact CB-CG 4.02Å; L96-V100 HydrophobicContact CB-CB 4.35Å; L96-V100 HydrophobicContact CB-CG2 4.2Å; L96-V100 HydrophobicContact CD1-CG1 4.29Å; L96-V100 HydrophobicContact CD2-CG1 4.47Å; L96-L105 HydrophobicContact CD1-CB 4.29Å; L96-L105 HydrophobicContact CD1-CD1 3.8Å; L96-L105 HydrophobicContact CD1-CG 4.42Å; L96-I138 HydrophobicContact CB-CD1 3.56Å; L96-I138 HydrophobicContact CD1-CD1 3.49Å; L96-I138 VanDerWaalsContact CD1-CD1 3.49Å; L96-I138 HydrophobicContact CG-CD1 4.16Å |
| 97 | G | 93.4 | Very high | 92.9 | Very high | 5 Ų | 5 | 66 Ų | 66 | 5% | 0.052 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 155 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | E77 R99 V100 | E77-G97 WeakPolarHBondContact OE1-CA 3.49Å; G97-R99 PolarHBondContact O-N 3.27Å; G97-R99 VanDerWaalsContact O-N 3.12Å; G97-V100 WeakPolarHBondContact O-CG2 3.39Å; G97-V100 PolarHBondContact O-N 3.19Å; G97-V100 VanDerWaalsContact O-N 3.13Å |
| 98 | A | 91.8 | Very high | 93.5 | Very high | 15 Ų | 15 | 66.8 Ų | 66.8 | 12% | 0.124 | 33% | 0.329 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | -28.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | E77 F80 V100 T137 G139 | E77-A98 PolarHBondContact OE1-N 2.96Å; F80-A98 HydrophobicContact CD2-CB 4.33Å; F80-A98 HydrophobicContact CE2-CB 3.78Å; A98-V100 VanDerWaalsContact C-N 3.34Å; A98-V100 PolarHBondContact O-N 3.05Å; A98-T137 WeakPolarHBondContact O-CB 3.4Å; A98-T137 PolarHBondContact O-OG1 2.99Å; A98-G139 PolarHBondContact O-N 3.04Å |
| 99 | R | 91.6 | Very high | 94.1 | Very high | 174 Ų | 174 | 57.9 Ų | 57.9 | 66% | 0.657 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83 | -2.9 | -177.4 | -57 | -175.5 | 68.1 | 175.6 | 1.4 | 114.6 | E77 G97 | E77-R99 PolarHBondContact OE1-N 2.99Å; G97-R99 PolarHBondContact O-N 3.27Å; G97-R99 VanDerWaalsContact O-N 3.12Å |
| 100 | V | 94.4 | Very high | 94.8 | Very high | 33 Ų | 33 | 51.1 Ų | 51.1 | 20% | 0.2 | 25% | 0.254 | C | S | . | . | | | trans | -75 | 126.6 | -179.5 | 178.7 | 0 | 0 | 0 | 0 | 109.5 | L96 G97 A98 K104 T137 I138 | L96-V100 HydrophobicContact CB-CB 4.35Å; L96-V100 HydrophobicContact CB-CG2 4.2Å; L96-V100 HydrophobicContact CD1-CG1 4.29Å; L96-V100 HydrophobicContact CD2-CG1 4.47Å; G97-V100 WeakPolarHBondContact O-CG2 3.39Å; G97-V100 PolarHBondContact O-N 3.19Å; G97-V100 VanDerWaalsContact O-N 3.13Å; A98-V100 VanDerWaalsContact C-N 3.34Å; A98-V100 PolarHBondContact O-N 3.05Å; V100-K104 HydrophobicContact CG1-CB 4.16Å; V100-K104 HydrophobicContact CG1-CG 4.46Å; V100-T137 WeakPolarHBondContact O-CA 3.48Å; V100-I138 HydrophobicContact CB-CD1 4.17Å; V100-I138 HydrophobicContact CG1-CD1 4.36Å; V100-I138 PolarHBondContact O-N 3.02Å |
| 101 | P | 96.1 | Very high | 95.1 | Very high | 43 Ų | 43 | 51.9 Ų | 51.9 | 28% | 0.279 | 26% | 0.261 | S | S | . | . | B | Isolated β-bridge | trans | -73.3 | 150.6 | 177.1 | 31.6 | -35.6 | 0 | 0 | 0 | 111.6 | S103 K104 L105 S136 | P101-S103 PolarHBondContact O-N 3.13Å; P101-K104 HydrophobicContact CG-CB 4.08Å; P101-K104 PolarHBondContact O-N 3.22Å; P101-L105 PolarHBondContact O-N 3.06Å; P101-S136 CarbonylContact C-O 3.4Å |
| 102 | L | 96.2 | Very high | 95 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -59.7 | -33.9 | 176 | -80.6 | -171.6 | 0 | 0 | 0 | 111.7 | K104 L105 L106 F122 Y132 C134 S136 I138 V141 I146 | L102-K104 PolarHBondContact O-N 3.43Å; L102-L105 HydrophobicContact CD2-CD2 4.07Å; L102-L105 CarbonylContact O-C 3.58Å; L102-L105 WeakPolarHBondContact O-CA 3.07Å; L102-L105 PolarHBondContact O-N 3.42Å; L102-L106 WeakPolarHBondContact O-CB 3.3Å; L102-L106 PolarHBondContact O-N 2.91Å; L102-F122 HydrophobicContact CB-CD2 4.05Å; L102-F122 HydrophobicContact CB-CE2 4.3Å; L102-F122 HydrophobicContact CD1-CB 4.29Å; L102-F122 HydrophobicContact CD1-CD2 4Å; L102-F122 HydrophobicContact CD2-CD2 3.92Å; L102-F122 HydrophobicContact CD2-CE2 4.15Å; L102-F122 HydrophobicContact CG-CD2 4.22Å; L102-Y132 VanDerWaalsContact CD1-CB 3.46Å; L102-Y132 HydrophobicContact CD1-CG 4.38Å; L102-C134 CarbonylContact C-O 3.55Å; L102-C134 PolarHBondContact N-O 2.86Å; L102-S136 WeakPolarHBondContact CB-O 3.5Å; L102-S136 WeakPolarHBondContact CG-O 3.39Å; L102-S136 PolarHBondContact N-O 2.85Å; L102-I138 HydrophobicContact CD2-CG1 4.43Å; L102-V141 HydrophobicContact CD1-CG2 3.66Å; L102-V141 HydrophobicContact CD2-CG2 4.28Å; L102-V141 HydrophobicContact CG-CG2 3.95Å; L102-I146 HydrophobicContact CD2-CD1 3.8Å |
| 103 | S | 95.8 | Very high | 94.8 | Very high | 37 Ų | 37 | 52.9 Ų | 52.9 | 26% | 0.259 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -50.7 | -42.9 | 172.6 | 55.5 | 0 | 0 | 0 | 0 | 111.8 | P101 L106 S107 C134 | P101-S103 PolarHBondContact O-N 3.13Å; S103-L106 PolarHBondContact O-N 3.23Å; S103-S107 PolarHBondContact O-N 3.33Å; S103-S107 PolarHBondContact O-OG 2.97Å; S103-S107 VanDerWaalsContact O-OG 3.11Å; S103-C134 PolarHBondContact N-O 3.19Å |
| 104 | K | 95.7 | Very high | 94.6 | Very high | 135 Ų | 135 | 58.5 Ų | 58.5 | 59% | 0.587 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -73.9 | -30.8 | 178.4 | -168.9 | 54.1 | 173.3 | 177.2 | 0 | 113.3 | V100 P101 L102 L108 | V100-K104 HydrophobicContact CG1-CB 4.16Å; V100-K104 HydrophobicContact CG1-CG 4.46Å; P101-K104 HydrophobicContact CG-CB 4.08Å; P101-K104 PolarHBondContact O-N 3.22Å; L102-K104 PolarHBondContact O-N 3.43Å; K104-L108 VanDerWaalsContact O-CB 3.28Å; K104-L108 WeakPolarHBondContact O-CB 3.3Å; K104-L108 PolarHBondContact O-N 2.85Å; K104-L108 VanDerWaalsContact O-N 3.14Å |
| 105 | L | 96.7 | Very high | 94.5 | Very high | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -71.1 | -38.1 | 171.2 | 177.4 | 56.7 | 0 | 0 | 0 | 111.4 | I82 V84 F92 L96 P101 L102 L108 V109 F122 I138 I146 | I82-L105 HydrophobicContact CD1-CD2 3.78Å; I82-L105 HydrophobicContact CG1-CD2 4.35Å; I82-L105 HydrophobicContact CG2-CD2 4.18Å; V84-L105 HydrophobicContact CG2-CD1 4.1Å; V84-L105 HydrophobicContact CG2-CD2 4.09Å; V84-L105 HydrophobicContact CG2-CG 4.27Å; F92-L105 HydrophobicContact CE1-CD1 4.23Å; L96-L105 HydrophobicContact CD1-CB 4.29Å; L96-L105 HydrophobicContact CD1-CD1 3.8Å; L96-L105 HydrophobicContact CD1-CG 4.42Å; P101-L105 PolarHBondContact O-N 3.06Å; L102-L105 HydrophobicContact CD2-CD2 4.07Å; L102-L105 CarbonylContact O-C 3.58Å; L102-L105 WeakPolarHBondContact O-CA 3.07Å; L102-L105 PolarHBondContact O-N 3.42Å; L105-L108 PolarHBondContact O-N 3.25Å; L105-V109 HydrophobicContact CD1-CG2 3.89Å; L105-V109 HydrophobicContact CG-CG2 4.33Å; L105-V109 VanDerWaalsContact O-CG2 3.24Å; L105-V109 WeakPolarHBondContact O-CG2 3.34Å; L105-V109 PolarHBondContact O-N 3.39Å; L105-F122 HydrophobicContact CB-CE2 4.3Å; L105-F122 HydrophobicContact CB-CZ 4.37Å; L105-F122 HydrophobicContact CD2-CZ 4.27Å; L105-F122 HydrophobicContact CG-CE2 4.19Å; L105-F122 HydrophobicContact CG-CZ 3.83Å; L105-I138 HydrophobicContact CD2-CD1 4.21Å; L105-I146 HydrophobicContact CD2-CD1 3.69Å |
| 106 | L | 96.4 | Very high | 94.4 | Very high | 11 Ų | 11 | 56.7 Ų | 56.7 | 6% | 0.058 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -61.5 | -53.8 | 176.6 | -174.9 | 59.8 | 0 | 0 | 0 | 110.1 | L102 S103 L108 V109 C110 A117 F122 L148 | L102-L106 WeakPolarHBondContact O-CB 3.3Å; L102-L106 PolarHBondContact O-N 2.91Å; S103-L106 PolarHBondContact O-N 3.23Å; L106-L108 PolarHBondContact O-N 3.49Å; L106-V109 PolarHBondContact O-N 3.4Å; L106-C110 VanDerWaalsContact O-CB 3.25Å; L106-C110 WeakPolarHBondContact O-CB 3.33Å; L106-C110 PolarHBondContact O-N 2.82Å; L106-C110 PolarHBondContact O-SG 2.92Å; L106-C110 VanDerWaalsContact O-SG 3.36Å; L106-A117 HydrophobicContact CG-CB 4.48Å; L106-F122 HydrophobicContact CB-CE2 3.66Å; L106-F122 HydrophobicContact CB-CZ 4.09Å; L106-F122 HydrophobicContact CD1-CE2 4.15Å; L106-F122 HydrophobicContact CD1-CZ 4.1Å; L106-F122 HydrophobicContact CG-CE2 4.47Å; L106-L148 HydrophobicContact CD1-CD1 3.52Å |
| 107 | S | 95.8 | Very high | 94.3 | Very high | 51 Ų | 51 | 56.8 Ų | 56.8 | 36% | 0.357 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -56.2 | -40.2 | 174.1 | -48.5 | 0 | 0 | 0 | 0 | 111.9 | S103 D111 | S103-S107 PolarHBondContact O-N 3.33Å; S103-S107 PolarHBondContact O-OG 2.97Å; S103-S107 VanDerWaalsContact O-OG 3.11Å; S107-D111 VanDerWaalsContact O-CB 3.26Å; S107-D111 WeakPolarHBondContact O-CB 3.29Å; S107-D111 PolarHBondContact O-N 2.91Å |
| 108 | L | 95.6 | Very high | 94.3 | Very high | 64 Ų | 64 | 63 Ų | 63 | 34% | 0.335 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -66.8 | -44 | -179.7 | -177 | 68.2 | 0 | 0 | 0 | 112.4 | F92 A94 K104 L105 L106 N112 | F92-L108 HydrophobicContact CE1-CD2 4.08Å; F92-L108 HydrophobicContact CE1-CG 4.2Å; F92-L108 HydrophobicContact CZ-CD2 3.93Å; F92-L108 HydrophobicContact CZ-CG 3.81Å; A94-L108 HydrophobicContact CB-CD2 4.49Å; K104-L108 VanDerWaalsContact O-CB 3.28Å; K104-L108 WeakPolarHBondContact O-CB 3.3Å; K104-L108 PolarHBondContact O-N 2.85Å; K104-L108 VanDerWaalsContact O-N 3.14Å; L105-L108 PolarHBondContact O-N 3.25Å; L106-L108 PolarHBondContact O-N 3.49Å; L108-N112 WeakPolarHBondContact O-CB 3.36Å; L108-N112 PolarHBondContact O-N 3.49Å; L108-N112 PolarHBondContact O-ND2 3.34Å |
| 109 | V | 95.7 | Very high | 94.3 | Very high | 0 Ų | 0 | 67.3 Ų | 67.3 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -64.3 | -47.9 | 176.3 | 176.2 | 0 | 0 | 0 | 0 | 109.8 | V84 L86 F92 L105 L106 N112 K113 F122 L148 | V84-V109 HydrophobicContact CB-CG2 4.21Å; V84-V109 HydrophobicContact CG1-CG1 4.39Å; V84-V109 HydrophobicContact CG1-CG2 4.17Å; V84-V109 HydrophobicContact CG2-CG2 3.86Å; L86-V109 HydrophobicContact CD1-CG1 4.15Å; L86-V109 HydrophobicContact CD2-CG1 4.02Å; L86-V109 HydrophobicContact CG-CG1 4.38Å; F92-V109 HydrophobicContact CD1-CB 4.47Å; F92-V109 HydrophobicContact CD1-CG2 3.51Å; F92-V109 HydrophobicContact CE1-CG2 3.86Å; F92-V109 HydrophobicContact CG-CG2 4.12Å; L105-V109 HydrophobicContact CD1-CG2 3.89Å; L105-V109 HydrophobicContact CG-CG2 4.33Å; L105-V109 VanDerWaalsContact O-CG2 3.24Å; L105-V109 WeakPolarHBondContact O-CG2 3.34Å; L105-V109 PolarHBondContact O-N 3.39Å; L106-V109 PolarHBondContact O-N 3.4Å; V109-N112 PolarHBondContact O-N 2.93Å; V109-K113 HydrophobicContact CG1-CG 4.39Å; V109-K113 VanDerWaalsContact O-CB 3.28Å; V109-K113 WeakPolarHBondContact O-CB 3.46Å; V109-K113 WeakPolarHBondContact O-CG 3.32Å; V109-K113 PolarHBondContact O-N 3.32Å; V109-F122 HydrophobicContact CG2-CZ 4.41Å; V109-L148 HydrophobicContact CG1-CD2 3.92Å |
| 110 | C | 94.4 | Very high | 94.5 | Very high | 4 Ų | 4 | 61.1 Ų | 61.1 | 3% | 0.027 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -64.4 | -44.9 | -178.2 | -72.9 | 0 | 0 | 0 | 0 | 113 | L106 N112 K113 Q114 L115 A117 | L106-C110 VanDerWaalsContact O-CB 3.25Å; L106-C110 WeakPolarHBondContact O-CB 3.33Å; L106-C110 PolarHBondContact O-N 2.82Å; L106-C110 PolarHBondContact O-SG 2.92Å; L106-C110 VanDerWaalsContact O-SG 3.36Å; C110-N112 VanDerWaalsContact C-N 3.3Å; C110-N112 PolarHBondContact O-N 2.9Å; C110-K113 PolarHBondContact O-N 3.31Å; C110-Q114 WeakPolarHBondContact O-CA 3.43Å; C110-Q114 PolarHBondContact O-N 3.18Å; C110-L115 HydrophobicContact CB-CB 4.3Å; C110-L115 VanDerWaalsContact CB-O 3.28Å; C110-L115 WeakPolarHBondContact CB-O 3.29Å; C110-L115 PolarHBondContact O-N 2.94Å; C110-L115 VanDerWaalsContact O-N 3.16Å; C110-A117 HydrophobicContact CB-CB 4.37Å |
| 111 | D | 95.2 | Very high | 94.5 | Very high | 109 Ų | 109 | 61 Ų | 61 | 58% | 0.583 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -56.7 | -42.5 | 172.4 | -97.2 | 29.7 | 0 | 0 | 0 | 111.4 | S107 K607 | S107-D111 VanDerWaalsContact O-CB 3.26Å; S107-D111 WeakPolarHBondContact O-CB 3.29Å; S107-D111 PolarHBondContact O-N 2.91Å; D111-K607 IonicContact OD2-NZ 2.75Å; D111-K607 PolarHBondContact OD2-NZ 3.43Å |
| 112 | N | 94.2 | Very high | 94.5 | Very high | 99 Ų | 99 | 59 Ų | 59 | 53% | 0.529 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -77.4 | -23.5 | -177.6 | -82.6 | -93.5 | 0 | 0 | 0 | 113.6 | F92 L108 V109 C110 | F92-N112 HydrophobicContact CD2-CB 4.29Å; F92-N112 HydrophobicContact CE2-CB 3.81Å; L108-N112 WeakPolarHBondContact O-CB 3.36Å; L108-N112 PolarHBondContact O-N 3.49Å; L108-N112 PolarHBondContact O-ND2 3.34Å; V109-N112 PolarHBondContact O-N 2.93Å; C110-N112 VanDerWaalsContact C-N 3.3Å; C110-N112 PolarHBondContact O-N 2.9Å |
| 113 | K | 92.4 | Very high | 94.4 | Very high | 64 Ų | 64 | 60.7 Ų | 60.7 | 28% | 0.278 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -112.7 | -0.3 | -173.9 | -65.5 | -75.1 | -166.8 | 175.1 | 0 | 113.8 | L86 L91 V109 C110 L115 | L86-K113 HydrophobicContact CD2-CB 4.11Å; L86-K113 HydrophobicContact CD2-CD 4.05Å; L86-K113 HydrophobicContact CD2-CG 3.68Å; L91-K113 PolarHBondContact O-NZ 3.18Å; V109-K113 HydrophobicContact CG1-CG 4.39Å; V109-K113 VanDerWaalsContact O-CB 3.28Å; V109-K113 WeakPolarHBondContact O-CB 3.46Å; V109-K113 WeakPolarHBondContact O-CG 3.32Å; V109-K113 PolarHBondContact O-N 3.32Å; C110-K113 PolarHBondContact O-N 3.31Å; K113-L115 HydrophobicContact CB-CD1 4.03Å; K113-L115 HydrophobicContact CB-CG 3.98Å |
| 114 | Q | 91.5 | Very high | 94.2 | Very high | 185 Ų | 185 | 59 Ų | 59 | 86% | 0.864 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.5 | 52.4 | -179.9 | -57.2 | 173.9 | 16.8 | 0 | 0 | 111.7 | C110 | C110-Q114 WeakPolarHBondContact O-CA 3.43Å; C110-Q114 PolarHBondContact O-N 3.18Å |
| 115 | L | 92.1 | Very high | 94 | Very high | 45 Ų | 45 | 53.9 Ų | 53.9 | 24% | 0.236 | 28% | 0.277 | C | S | . | . | | | trans | -117.7 | 150 | 178.8 | -54.8 | 178.4 | 0 | 0 | 0 | 110.2 | L86 C110 K113 A117 Y120 L148 | L86-L115 HydrophobicContact CD2-CD1 3.98Å; C110-L115 HydrophobicContact CB-CB 4.3Å; C110-L115 VanDerWaalsContact CB-O 3.28Å; C110-L115 WeakPolarHBondContact CB-O 3.29Å; C110-L115 PolarHBondContact O-N 2.94Å; C110-L115 VanDerWaalsContact O-N 3.16Å; K113-L115 HydrophobicContact CB-CD1 4.03Å; K113-L115 HydrophobicContact CB-CG 3.98Å; L115-A117 PolarHBondContact O-N 2.87Å; L115-Y120 HydrophobicContact CB-CD2 4.13Å; L115-Y120 HydrophobicContact CB-CE2 3.87Å; L115-Y120 HydrophobicContact CD1-CE1 4.39Å; L115-Y120 HydrophobicContact CD1-CE2 4.34Å; L115-Y120 HydrophobicContact CD2-CE2 4.24Å; L115-Y120 HydrophobicContact CG-CE2 4.37Å; L115-L148 HydrophobicContact CD1-CD2 3.78Å |
| 116 | D | 92.9 | Very high | 93.5 | Very high | 87 Ų | 87 | 55.6 Ų | 55.6 | 47% | 0.465 | 29% | 0.288 | S | S | . | . | | | trans | -79 | 115.3 | 177.1 | -57.1 | -37.7 | 0 | 0 | 0 | 110.3 | D118 K119 Y120 | D116-D118 PolarHBondContact O-N 2.89Å; D116-D118 VanDerWaalsContact O-N 3.15Å; D116-K119 HydrophobicContact CB-CB 4.2Å; D116-K119 HydrophobicContact CB-CD 3.93Å; D116-K119 HydrophobicContact CB-CG 3.97Å; D116-K119 PolarHBondContact O-N 3.43Å; D116-K119 WeakPolarHBondContact OD2-CD 3.38Å; D116-K119 VanDerWaalsContact OD2-CE 3.28Å; D116-K119 WeakPolarHBondContact OD2-CE 3.38Å; D116-K119 IonicContact OD2-NZ 2.68Å; D116-K119 PolarHBondContact OD2-NZ 3.35Å; D116-Y120 WeakPolarHBondContact O-CD2 3.25Å |
| 117 | A | 93.3 | Very high | 93.1 | Very high | 32 Ų | 32 | 57.5 Ų | 57.5 | 26% | 0.264 | 30% | 0.298 | S | S | . | . | G | 310 helix | trans | -55.1 | -36.2 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | L106 C110 L115 K119 Y120 | L106-A117 HydrophobicContact CG-CB 4.48Å; C110-A117 HydrophobicContact CB-CB 4.37Å; L115-A117 PolarHBondContact O-N 2.87Å; A117-K119 PolarHBondContact O-N 2.84Å; A117-Y120 PolarHBondContact O-N 2.67Å |
| 118 | D | 92.7 | Very high | 92.6 | Very high | 135 Ų | 135 | 55.6 Ų | 55.6 | 72% | 0.722 | 29% | 0.285 | S | S | * | . | G | 310 helix | trans | -72.1 | -14.9 | -178.3 | -53.9 | -62.2 | 0 | 0 | 0 | 114.1 | D116 K151 | D116-D118 PolarHBondContact O-N 2.89Å; D116-D118 VanDerWaalsContact O-N 3.15Å; D118-K151 WeakPolarHBondContact O-CD 3.34Å; D118-K151 VanDerWaalsContact O-CE 3.25Å; D118-K151 WeakPolarHBondContact O-CE 3.31Å; D118-K151 PolarHBondContact O-NZ 3.2Å |
| 119 | K | 92.5 | Very high | 92.2 | Very high | 105 Ų | 105 | 55.7 Ų | 55.7 | 46% | 0.457 | 29% | 0.291 | S | S | . | . | G | 310 helix | trans | -97.2 | -10.3 | -178.9 | -66.3 | -175.5 | -172.1 | 156.9 | 0 | 114.4 | D116 A117 H150 K151 | D116-K119 HydrophobicContact CB-CB 4.2Å; D116-K119 HydrophobicContact CB-CD 3.93Å; D116-K119 HydrophobicContact CB-CG 3.97Å; D116-K119 PolarHBondContact O-N 3.43Å; D116-K119 WeakPolarHBondContact OD2-CD 3.38Å; D116-K119 VanDerWaalsContact OD2-CE 3.28Å; D116-K119 WeakPolarHBondContact OD2-CE 3.38Å; D116-K119 IonicContact OD2-NZ 2.68Å; D116-K119 PolarHBondContact OD2-NZ 3.35Å; A117-K119 PolarHBondContact O-N 2.84Å; K119-H150 WeakPolarHBondContact O-CA 3.16Å; K119-H150 PolarHBondContact O-CD2 2.98Å; K119-H150 VanDerWaalsContact O-CD2 3.23Å; K119-K151 PolarHBondContact O-N 2.91Å |
| 120 | Y | 94.1 | Very high | 92 | Very high | 44 Ų | 44 | 59.9 Ų | 59.9 | 17% | 0.173 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 160 | -178.8 | -67.8 | -97.8 | 0 | 0 | 0 | 111.7 | L115 D116 A117 L148 C149 H150 K151 | L115-Y120 HydrophobicContact CB-CD2 4.13Å; L115-Y120 HydrophobicContact CB-CE2 3.87Å; L115-Y120 HydrophobicContact CD1-CE1 4.39Å; L115-Y120 HydrophobicContact CD1-CE2 4.34Å; L115-Y120 HydrophobicContact CD2-CE2 4.24Å; L115-Y120 HydrophobicContact CG-CE2 4.37Å; D116-Y120 WeakPolarHBondContact O-CD2 3.25Å; A117-Y120 PolarHBondContact O-N 2.67Å; Y120-L148 HydrophobicContact CD1-CD2 4.02Å; Y120-L148 HydrophobicContact CD1-CG 3.96Å; Y120-L148 HydrophobicContact CG-CD2 4.33Å; Y120-L148 HydrophobicContact CG-CG 4.33Å; Y120-C149 CarbonylContact C-O 3.52Å; Y120-C149 VanDerWaalsContact CA-O 3.24Å; Y120-C149 WeakPolarHBondContact CA-O 3.28Å; Y120-C149 WeakPolarHBondContact CB-O 3.49Å; Y120-C149 WeakPolarHBondContact CD1-O 3.42Å; Y120-H150 HydrophobicContact CD1-CB 4.32Å; Y120-H150 HydrophobicContact CE1-CB 4.12Å; Y120-H150 AromaticContact CE2-CD2 3.99Å; Y120-H150 AromaticContact CZ-CD2 3.9Å; Y120-K151 VanDerWaalsContact O-CE 3.3Å; Y120-K151 WeakPolarHBondContact O-CE 3.5Å |
| 121 | E | 94.7 | Very high | 91.9 | Very high | 32 Ų | 32 | 62.6 Ų | 62.6 | 15% | 0.15 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 163 | 178.7 | 64.1 | -170.9 | -179.6 | 0 | 0 | 110.5 | R123 V131 C149 K151 | E121-R123 IonicContact OE1-CZ 3.82Å; E121-R123 IonicContact OE1-NE 3.17Å; E121-R123 PolarHBondContact OE1-NE 2.91Å; E121-R123 IonicContact OE1-NH2 2.83Å; E121-R123 PolarHBondContact OE1-NH2 3.15Å; E121-V131 HydrophobicContact CB-CG1 4.42Å; E121-V131 HydrophobicContact CG-CG1 4.35Å; E121-C149 PolarHBondContact N-O 2.8Å; E121-C149 PolarHBondContact O-N 2.93Å; E121-K151 HydrophobicContact CB-CG 4.19Å; E121-K151 HydrophobicContact CG-CG 4.12Å |
| 122 | F | 95.7 | Very high | 91.9 | Very high | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 132.6 | 175.5 | -67.8 | -58.3 | 0 | 0 | 0 | 111.2 | V84 L102 L105 L106 V109 V131 Y132 I146 R147 L148 | V84-F122 HydrophobicContact CG1-CD1 4.48Å; V84-F122 HydrophobicContact CG1-CE1 3.77Å; V84-F122 HydrophobicContact CG2-CE1 4.22Å; L102-F122 HydrophobicContact CB-CD2 4.05Å; L102-F122 HydrophobicContact CB-CE2 4.3Å; L102-F122 HydrophobicContact CD1-CB 4.29Å; L102-F122 HydrophobicContact CD1-CD2 4Å; L102-F122 HydrophobicContact CD2-CD2 3.92Å; L102-F122 HydrophobicContact CD2-CE2 4.15Å; L102-F122 HydrophobicContact CG-CD2 4.22Å; L105-F122 HydrophobicContact CB-CE2 4.3Å; L105-F122 HydrophobicContact CB-CZ 4.37Å; L105-F122 HydrophobicContact CD2-CZ 4.27Å; L105-F122 HydrophobicContact CG-CE2 4.19Å; L105-F122 HydrophobicContact CG-CZ 3.83Å; L106-F122 HydrophobicContact CB-CE2 3.66Å; L106-F122 HydrophobicContact CB-CZ 4.09Å; L106-F122 HydrophobicContact CD1-CE2 4.15Å; L106-F122 HydrophobicContact CD1-CZ 4.1Å; L106-F122 HydrophobicContact CG-CE2 4.47Å; V109-F122 HydrophobicContact CG2-CZ 4.41Å; F122-V131 WeakPolarHBondContact O-CA 3.46Å; F122-Y132 HydrophobicContact CB-CD2 4.48Å; F122-Y132 PolarHBondContact O-N 2.8Å; F122-I146 HydrophobicContact CB-CD1 4.25Å; F122-I146 HydrophobicContact CD1-CD1 3.45Å; F122-I146 VanDerWaalsContact CD1-CD1 3.45Å; F122-I146 HydrophobicContact CD1-CG1 3.97Å; F122-I146 HydrophobicContact CD2-CD1 4.08Å; F122-I146 HydrophobicContact CE1-CD1 3.7Å; F122-I146 HydrophobicContact CE1-CG1 4.29Å; F122-I146 HydrophobicContact CE2-CD1 4.26Å; F122-I146 HydrophobicContact CG-CD1 3.67Å; F122-I146 HydrophobicContact CZ-CD1 4.1Å; F122-R147 CarbonylContact C-O 3.54Å; F122-R147 VanDerWaalsContact CA-O 3.27Å; F122-R147 WeakPolarHBondContact CA-O 3.43Å; F122-L148 HydrophobicContact CD1-CB 4.42Å; F122-L148 HydrophobicContact CD1-CD1 3.87Å; F122-L148 HydrophobicContact CE1-CB 4.31Å; F122-L148 HydrophobicContact CE1-CD1 3.56Å; F122-L148 HydrophobicContact CZ-CD1 4.19Å |
| 123 | R | 95 | Very high | 91.9 | Very high | 35 Ų | 35 | 58.1 Ų | 58.1 | 13% | 0.132 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 162.2 | 175.1 | -73.7 | 172.2 | 179.1 | -100.5 | -1.5 | 110.5 | E121 A128 Q130 V131 R147 | E121-R123 IonicContact OE1-CZ 3.82Å; E121-R123 IonicContact OE1-NE 3.17Å; E121-R123 PolarHBondContact OE1-NE 2.91Å; E121-R123 IonicContact OE1-NH2 2.83Å; E121-R123 PolarHBondContact OE1-NH2 3.15Å; R123-A128 WeakPolarHBondContact CD-O 3.38Å; R123-A128 PolarHBondContact NH1-O 3.16Å; R123-Q130 CarbonylContact C-O 3.54Å; R123-Q130 WeakPolarHBondContact CA-O 3.16Å; R123-V131 HydrophobicContact CG-CB 4.44Å; R123-V131 HydrophobicContact CG-CG2 3.92Å; R123-R147 PolarHBondContact N-O 3.44Å; R123-R147 WeakPolarHBondContact O-CB 3.35Å; R123-R147 PolarHBondContact O-N 2.96Å |
| 124 | S | 92.2 | Very high | 92 | Very high | 2 Ų | 2 | 57.2 Ų | 57.2 | 1% | 0.014 | 31% | 0.309 | C | S | . | . | | | trans | -63.5 | 145.2 | 174.7 | -149.3 | 0 | 0 | 0 | 0 | 110.8 | V126 D127 Q130 Y132 | S124-V126 VanDerWaalsContact C-N 3.29Å; S124-D127 WeakPolarHBondContact CB-O 3.33Å; S124-Q130 VanDerWaalsContact CB-OE1 3.29Å; S124-Q130 PolarHBondContact N-O 3.02Å; S124-Q130 PolarHBondContact OG-OE1 3.42Å; S124-Y132 PolarHBondContact OG-OH 3.14Å |
| 125 | P | 90.4 | Very high | 92.1 | Very high | 28 Ų | 28 | 55.7 Ų | 55.7 | 18% | 0.182 | 30% | 0.302 | C | S | . | . | S | Bend | trans | -76 | -19.6 | 177.8 | 32.2 | -35.9 | 0 | 0 | 0 | 112.7 | L85 L143 E145 | L85-P125 HydrophobicContact CD1-CB 4.49Å; P125-L143 HydrophobicContact CG-CD1 4.4Å; P125-E145 WeakPolarHBondContact CD-O 3.27Å; P125-E145 HydrophobicContact CG-CB 4.36Å; P125-E145 WeakPolarHBondContact CG-O 3.25Å |
| 126 | V | 87.2 | Confident | 92.2 | Very high | 36 Ų | 36 | 55.1 Ų | 55.1 | 22% | 0.218 | 30% | 0.302 | C | S | . | . | S | Bend | trans | -93 | -57.7 | 177.4 | -177.5 | 0 | 0 | 0 | 0 | 110.3 | L59 S124 | L59-V126 HydrophobicContact CD2-CB 4.5Å; L59-V126 HydrophobicContact CD2-CG2 4Å; S124-V126 VanDerWaalsContact C-N 3.29Å |
| 127 | D | 86.8 | Confident | 92.2 | Very high | 50 Ų | 50 | 52.9 Ų | 52.9 | 27% | 0.267 | 29% | 0.291 | S | S | . | . | | | trans | -99.9 | 112.6 | 176.8 | 173.7 | 33.7 | 0 | 0 | 0 | 111.9 | S124 S129 Q130 | S124-D127 WeakPolarHBondContact CB-O 3.33Å; D127-S129 PolarHBondContact O-N 3.29Å; D127-S129 VanDerWaalsContact OD1-CB 3.28Å; D127-S129 WeakPolarHBondContact OD1-CB 3.5Å; D127-S129 PolarHBondContact OD1-N 3.49Å; D127-S129 PolarHBondContact OD1-OG 3.09Å; D127-S129 WeakPolarHBondContact OD2-CB 3.29Å; D127-S129 PolarHBondContact OD2-OG 3.36Å; D127-Q130 HydrophobicContact CB-CB 4.42Å; D127-Q130 PolarHBondContact O-N 3.03Å; D127-Q130 VanDerWaalsContact OD2-CB 3.3Å; D127-Q130 WeakPolarHBondContact OD2-CB 3.45Å; D127-Q130 PolarHBondContact OD2-N 2.84Å |
| 128 | A | 85.8 | Confident | 92.2 | Very high | 11 Ų | 11 | 51.3 Ų | 51.3 | 9% | 0.091 | 28% | 0.278 | C | S | . | . | S | Bend | trans | -68.5 | -13.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | R123 Y155 F158 | R123-A128 WeakPolarHBondContact CD-O 3.38Å; R123-A128 PolarHBondContact NH1-O 3.16Å; A128-Y155 HydrophobicContact CB-CD2 4.28Å; A128-Y155 HydrophobicContact CB-CE2 4.3Å; A128-F158 HydrophobicContact CB-CD2 3.67Å; A128-F158 HydrophobicContact CB-CE2 3.8Å; A128-F158 HydrophobicContact CB-CG 4.24Å; A128-F158 HydrophobicContact CB-CZ 4.43Å |
| 129 | S | 87.4 | Confident | 92.1 | Very high | 66 Ų | 66 | 45.8 Ų | 45.8 | 46% | 0.462 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -75.4 | -39.9 | 177 | 97.6 | 0 | 0 | 0 | 0 | 112.2 | D127 V131 | D127-S129 PolarHBondContact O-N 3.29Å; D127-S129 VanDerWaalsContact OD1-CB 3.28Å; D127-S129 WeakPolarHBondContact OD1-CB 3.5Å; D127-S129 PolarHBondContact OD1-N 3.49Å; D127-S129 PolarHBondContact OD1-OG 3.09Å; D127-S129 WeakPolarHBondContact OD2-CB 3.29Å; D127-S129 PolarHBondContact OD2-OG 3.36Å; S129-V131 PolarHBondContact O-N 3.14Å; S129-V131 VanDerWaalsContact O-N 3.12Å |
| 130 | Q | 90.7 | Very high | 92 | Very high | 89 Ų | 89 | 45.8 Ų | 45.8 | 42% | 0.416 | 26% | 0.262 | S | S | . | . | | | trans | -70 | 102.1 | -176.7 | 177.1 | 173.7 | 75.9 | 0 | 0 | 112.5 | R123 S124 D127 Y132 | R123-Q130 CarbonylContact C-O 3.54Å; R123-Q130 WeakPolarHBondContact CA-O 3.16Å; S124-Q130 VanDerWaalsContact CB-OE1 3.29Å; S124-Q130 PolarHBondContact N-O 3.02Å; S124-Q130 PolarHBondContact OG-OE1 3.42Å; D127-Q130 HydrophobicContact CB-CB 4.42Å; D127-Q130 PolarHBondContact O-N 3.03Å; D127-Q130 VanDerWaalsContact OD2-CB 3.3Å; D127-Q130 WeakPolarHBondContact OD2-CB 3.45Å; D127-Q130 PolarHBondContact OD2-N 2.84Å; Q130-Y132 HydrophobicContact CG-CE1 4.02Å; Q130-Y132 PolarHBondContact OE1-OH 3.01Å |
| 131 | V | 93.7 | Very high | 91.9 | Very high | 61 Ų | 61 | 44.7 Ų | 44.7 | 37% | 0.37 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 138.2 | 171.7 | -173.9 | 0 | 0 | 0 | 0 | 110.7 | E121 F122 R123 S129 | E121-V131 HydrophobicContact CB-CG1 4.42Å; E121-V131 HydrophobicContact CG-CG1 4.35Å; F122-V131 WeakPolarHBondContact O-CA 3.46Å; R123-V131 HydrophobicContact CG-CB 4.44Å; R123-V131 HydrophobicContact CG-CG2 3.92Å; S129-V131 PolarHBondContact O-N 3.14Å; S129-V131 VanDerWaalsContact O-N 3.12Å |
| 132 | Y | 94.9 | Very high | 91.7 | Very high | 30 Ų | 30 | 43.8 Ų | 43.8 | 12% | 0.118 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 120.7 | 171.9 | -59.6 | -59.8 | 0 | 0 | 0 | 111.5 | L102 F122 S124 Q130 V141 L143 I146 | L102-Y132 VanDerWaalsContact CD1-CB 3.46Å; L102-Y132 HydrophobicContact CD1-CG 4.38Å; F122-Y132 HydrophobicContact CB-CD2 4.48Å; F122-Y132 PolarHBondContact O-N 2.8Å; S124-Y132 PolarHBondContact OG-OH 3.14Å; Q130-Y132 HydrophobicContact CG-CE1 4.02Å; Q130-Y132 PolarHBondContact OE1-OH 3.01Å; Y132-V141 HydrophobicContact CD1-CG1 4.21Å; Y132-V141 HydrophobicContact CD1-CG2 4.42Å; Y132-V141 HydrophobicContact CD2-CG1 4.07Å; Y132-V141 HydrophobicContact CE1-CG1 4.08Å; Y132-V141 HydrophobicContact CE2-CG1 3.93Å; Y132-V141 HydrophobicContact CG-CG1 4.21Å; Y132-V141 HydrophobicContact CG-CG2 4.35Å; Y132-L143 HydrophobicContact CE2-CD1 4.25Å; Y132-L143 WeakPolarHBondContact OH-CD1 3.25Å; Y132-I146 HydrophobicContact CD2-CG2 4.38Å; Y132-I146 HydrophobicContact CE2-CG2 4.2Å |
| 133 | S | 94.4 | Very high | 91.5 | Very high | 84 Ų | 84 | 44.2 Ų | 44.2 | 59% | 0.587 | 26% | 0.262 | S | S | * | . | P | Polyproline II helix | trans | -62.2 | 138.1 | 176.6 | -41.8 | 0 | 0 | 0 | 0 | 111.6 | E135 S136 | S133-E135 PolarHBondContact O-N 3.41Å; S133-E135 VanDerWaalsContact O-N 3.08Å; S133-S136 WeakPolarHBondContact O-CB 3.04Å; S133-S136 PolarHBondContact O-N 3.25Å; S133-S136 PolarHBondContact O-OG 2.55Å |
| 134 | C | 94 | Very high | 91.4 | Very high | 45 Ų | 45 | 44 Ų | 44 | 30% | 0.304 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.2 | -26 | -176.6 | -63.1 | 0 | 0 | 0 | 0 | 114.8 | L102 S103 S136 | L102-C134 CarbonylContact C-O 3.55Å; L102-C134 PolarHBondContact N-O 2.86Å; S103-C134 PolarHBondContact N-O 3.19Å; C134-S136 VanDerWaalsContact C-N 3.27Å; C134-S136 PolarHBondContact O-N 2.82Å |
| 135 | E | 93.8 | Very high | 91.5 | Very high | 153 Ų | 153 | 47.1 Ų | 47.1 | 72% | 0.715 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77 | -11.9 | 177.1 | -59.3 | -51.7 | 96.6 | 0 | 0 | 113.6 | S133 | S133-E135 PolarHBondContact O-N 3.41Å; S133-E135 VanDerWaalsContact O-N 3.08Å |
| 136 | S | 93.6 | Very high | 91.7 | Very high | 33 Ų | 33 | 45.8 Ų | 45.8 | 23% | 0.231 | 27% | 0.271 | C | S | . | . | S | Bend | trans | -64.2 | 137.8 | 172.3 | -55.7 | 0 | 0 | 0 | 0 | 110.3 | P101 L102 S133 C134 | P101-S136 CarbonylContact C-O 3.4Å; L102-S136 WeakPolarHBondContact CB-O 3.5Å; L102-S136 WeakPolarHBondContact CG-O 3.39Å; L102-S136 PolarHBondContact N-O 2.85Å; S133-S136 WeakPolarHBondContact O-CB 3.04Å; S133-S136 PolarHBondContact O-N 3.25Å; S133-S136 PolarHBondContact O-OG 2.55Å; C134-S136 VanDerWaalsContact C-N 3.27Å; C134-S136 PolarHBondContact O-N 2.82Å |
| 137 | T | 94.1 | Very high | 92.1 | Very high | 39 Ų | 39 | 46 Ų | 46 | 24% | 0.239 | 27% | 0.268 | C | S | . | . | B | Isolated β-bridge | trans | -84.2 | 156.5 | 171 | 67.8 | 0 | 0 | 0 | 0 | 111.7 | A98 V100 G139 T140 V141 | A98-T137 WeakPolarHBondContact O-CB 3.4Å; A98-T137 PolarHBondContact O-OG1 2.99Å; V100-T137 WeakPolarHBondContact O-CA 3.48Å; T137-G139 PolarHBondContact O-N 2.88Å; T137-T140 PolarHBondContact N-OG1 2.91Å; T137-T140 PolarHBondContact O-N 3.14Å; T137-T140 PolarHBondContact O-OG1 3.02Å; T137-T140 WeakPolarHBondContact OG1-CG2 3.43Å; T137-T140 PolarHBondContact OG1-N 3.05Å; T137-T140 PolarHBondContact OG1-OG1 2.8Å; T137-V141 WeakPolarHBondContact O-CG2 3.34Å; T137-V141 PolarHBondContact O-N 3.25Å |
| 138 | I | 92.4 | Very high | 92.5 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -55.6 | -34.7 | 174.4 | -67.5 | 172 | 0 | 0 | 0 | 111.2 | I64 I82 L96 V100 L102 L105 G142 | I64-I138 HydrophobicContact CD1-CG2 3.73Å; I82-I138 HydrophobicContact CD1-CD1 4.34Å; I82-I138 HydrophobicContact CD1-CG1 4.18Å; I82-I138 HydrophobicContact CD1-CG2 4.08Å; I82-I138 HydrophobicContact CG2-CD1 4.36Å; L96-I138 HydrophobicContact CB-CD1 3.56Å; L96-I138 HydrophobicContact CD1-CD1 3.49Å; L96-I138 VanDerWaalsContact CD1-CD1 3.49Å; L96-I138 HydrophobicContact CG-CD1 4.16Å; V100-I138 HydrophobicContact CB-CD1 4.17Å; V100-I138 HydrophobicContact CG1-CD1 4.36Å; V100-I138 PolarHBondContact O-N 3.02Å; L102-I138 HydrophobicContact CD2-CG1 4.43Å; L105-I138 HydrophobicContact CD2-CD1 4.21Å; I138-G142 PolarHBondContact O-N 3.25Å |
| 139 | G | 90.9 | Very high | 92.8 | Very high | 18 Ų | 18 | 43.2 Ų | 43.2 | 19% | 0.186 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -72.1 | -22.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | A98 T137 | A98-G139 PolarHBondContact O-N 3.04Å; T137-G139 PolarHBondContact O-N 2.88Å |
| 140 | T | 90.6 | Very high | 93 | Very high | 106 Ų | 106 | 43 Ų | 43 | 65% | 0.65 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -93 | -29.6 | 175.7 | 50.2 | 0 | 0 | 0 | 0 | 113 | T137 G142 | T137-T140 PolarHBondContact N-OG1 2.91Å; T137-T140 PolarHBondContact O-N 3.14Å; T137-T140 PolarHBondContact O-OG1 3.02Å; T137-T140 WeakPolarHBondContact OG1-CG2 3.43Å; T137-T140 PolarHBondContact OG1-N 3.05Å; T137-T140 PolarHBondContact OG1-OG1 2.8Å; T140-G142 VanDerWaalsContact C-N 3.27Å |
| 141 | V | 91.3 | Very high | 93.1 | Very high | 20 Ų | 20 | 44 Ų | 44 | 12% | 0.121 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -63.8 | -39.7 | 165.1 | 178.1 | 0 | 0 | 0 | 0 | 109.5 | L102 Y132 T137 L143 I146 | L102-V141 HydrophobicContact CD1-CG2 3.66Å; L102-V141 HydrophobicContact CD2-CG2 4.28Å; L102-V141 HydrophobicContact CG-CG2 3.95Å; Y132-V141 HydrophobicContact CD1-CG1 4.21Å; Y132-V141 HydrophobicContact CD1-CG2 4.42Å; Y132-V141 HydrophobicContact CD2-CG1 4.07Å; Y132-V141 HydrophobicContact CE1-CG1 4.08Å; Y132-V141 HydrophobicContact CE2-CG1 3.93Å; Y132-V141 HydrophobicContact CG-CG1 4.21Å; Y132-V141 HydrophobicContact CG-CG2 4.35Å; T137-V141 WeakPolarHBondContact O-CG2 3.34Å; T137-V141 PolarHBondContact O-N 3.25Å; V141-L143 HydrophobicContact CG1-CB 4.14Å; V141-L143 HydrophobicContact CG1-CG 4.25Å; V141-L143 PolarHBondContact O-N 3.29Å; V141-I146 HydrophobicContact CG1-CG2 4.05Å |
| 142 | G | 90.9 | Very high | 92.8 | Very high | 14 Ų | 14 | 45.1 Ų | 45.1 | 14% | 0.144 | 26% | 0.257 | C | S | . | . | | | trans | 69 | 13.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | R63 I64 I138 T140 | R63-G142 CarbonylContact C-O 3.55Å; R63-G142 VanDerWaalsContact CA-O 3.29Å; R63-G142 WeakPolarHBondContact CA-O 3.47Å; I64-G142 PolarHBondContact N-O 2.81Å; I138-G142 PolarHBondContact O-N 3.25Å; T140-G142 VanDerWaalsContact C-N 3.27Å |
| 143 | L | 91.4 | Very high | 92.1 | Very high | 9 Ų | 9 | 46.2 Ų | 46.2 | 5% | 0.047 | 26% | 0.263 | C | S | . | . | B | Isolated β-bridge | trans | -109.5 | 137.5 | 178.2 | -61.4 | -173.2 | 0 | 0 | 0 | 112.7 | N62 I64 P125 Y132 V141 E145 I146 | N62-L143 HydrophobicContact CB-CD2 4.11Å; N62-L143 CarbonylContact O-C 3.52Å; N62-L143 VanDerWaalsContact O-CA 3.29Å; N62-L143 WeakPolarHBondContact O-CA 3.29Å; I64-L143 VanDerWaalsContact CD1-O 3.25Å; I64-L143 WeakPolarHBondContact CD1-O 3.49Å; P125-L143 HydrophobicContact CG-CD1 4.4Å; Y132-L143 HydrophobicContact CE2-CD1 4.25Å; Y132-L143 WeakPolarHBondContact OH-CD1 3.25Å; V141-L143 HydrophobicContact CG1-CB 4.14Å; V141-L143 HydrophobicContact CG1-CG 4.25Å; V141-L143 PolarHBondContact O-N 3.29Å; L143-E145 VanDerWaalsContact C-N 3.28Å; L143-E145 WeakPolarHBondContact CB-O 3.27Å; L143-I146 HydrophobicContact CB-CG2 4.28Å |
| 144 | S | 93 | Very high | 90.5 | Very high | 31 Ų | 31 | 45.7 Ų | 45.7 | 22% | 0.217 | 26% | 0.259 | C | S | . | . | S | Bend | trans | -75.2 | -16.8 | 167.2 | 54.2 | 0 | 0 | 0 | 0 | 113 | N62 I82 T83 | N62-S144 WeakPolarHBondContact CA-OG 3.26Å; N62-S144 PolarHBondContact O-N 3.14Å; N62-S144 PolarHBondContact O-OG 3.32Å; I82-S144 CarbonylContact C-O 3.49Å; I82-S144 VanDerWaalsContact CA-O 3.28Å; I82-S144 WeakPolarHBondContact CA-O 3.49Å; T83-S144 PolarHBondContact N-O 3.02Å |
| 145 | E | 94.4 | Very high | 88.8 | Confident | 66 Ų | 66 | 50.8 Ų | 50.8 | 31% | 0.308 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 134.1 | 178.9 | -54.9 | -146.8 | 142.4 | 0 | 0 | 111.1 | N62 T83 L85 P125 L143 | N62-E145 WeakPolarHBondContact OD1-CG 3.42Å; T83-E145 WeakPolarHBondContact CB-OE1 3.35Å; T83-E145 VanDerWaalsContact O-CA 3.31Å; T83-E145 WeakPolarHBondContact O-CA 3.36Å; T83-E145 PolarHBondContact OG1-OE1 2.86Å; L85-E145 HydrophobicContact CD1-CB 4.07Å; P125-E145 WeakPolarHBondContact CD-O 3.27Å; P125-E145 HydrophobicContact CG-CB 4.36Å; P125-E145 WeakPolarHBondContact CG-O 3.25Å; L143-E145 VanDerWaalsContact C-N 3.28Å; L143-E145 WeakPolarHBondContact CB-O 3.27Å |
| 146 | I | 94.9 | Very high | 87.1 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 152 | 176.6 | 62.8 | 177.3 | 0 | 0 | 0 | 110.4 | I82 T83 V84 L85 L102 L105 F122 Y132 V141 L143 | I82-I146 HydrophobicContact CD1-CD1 4Å; I82-I146 HydrophobicContact CD1-CG1 4.26Å; I82-I146 HydrophobicContact CD1-CG2 4.49Å; I82-I146 HydrophobicContact CG1-CG1 4.49Å; T83-I146 PolarHBondContact O-N 2.94Å; V84-I146 CarbonylContact C-O 3.5Å; V84-I146 WeakPolarHBondContact CA-O 3.34Å; V84-I146 HydrophobicContact CG2-CD1 4.21Å; V84-I146 HydrophobicContact CG2-CG1 3.97Å; L85-I146 WeakPolarHBondContact CD1-O 3.38Å; L85-I146 PolarHBondContact N-O 3.02Å; L102-I146 HydrophobicContact CD2-CD1 3.8Å; L105-I146 HydrophobicContact CD2-CD1 3.69Å; F122-I146 HydrophobicContact CB-CD1 4.25Å; F122-I146 HydrophobicContact CD1-CD1 3.45Å; F122-I146 VanDerWaalsContact CD1-CD1 3.45Å; F122-I146 HydrophobicContact CD1-CG1 3.97Å; F122-I146 HydrophobicContact CD2-CD1 4.08Å; F122-I146 HydrophobicContact CE1-CD1 3.7Å; F122-I146 HydrophobicContact CE1-CG1 4.29Å; F122-I146 HydrophobicContact CE2-CD1 4.26Å; F122-I146 HydrophobicContact CG-CD1 3.67Å; F122-I146 HydrophobicContact CZ-CD1 4.1Å; Y132-I146 HydrophobicContact CD2-CG2 4.38Å; Y132-I146 HydrophobicContact CE2-CG2 4.2Å; V141-I146 HydrophobicContact CG1-CG2 4.05Å; L143-I146 HydrophobicContact CB-CG2 4.28Å |
| 147 | R | 94.8 | Very high | 85.4 | Confident | 42 Ų | 42 | 55.8 Ų | 55.8 | 16% | 0.158 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 137.3 | 179.7 | -162.1 | 176.3 | -133.8 | -93.4 | 1.4 | 110.5 | L85 F122 R123 | L85-R147 HydrophobicContact CB-CG 4.41Å; F122-R147 CarbonylContact C-O 3.54Å; F122-R147 VanDerWaalsContact CA-O 3.27Å; F122-R147 WeakPolarHBondContact CA-O 3.43Å; R123-R147 PolarHBondContact N-O 3.44Å; R123-R147 WeakPolarHBondContact O-CB 3.35Å; R123-R147 PolarHBondContact O-N 2.96Å |
| 148 | L | 95.3 | Very high | 83.5 | Confident | 1 Ų | 1 | 55.4 Ų | 55.4 | 1% | 0.005 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 118.5 | 168.9 | -173 | 79.8 | 0 | 0 | 0 | 108.6 | V84 L85 L86 P87 L106 V109 L115 Y120 F122 | V84-L148 HydrophobicContact CG1-CB 3.85Å; L85-L148 PolarHBondContact O-N 3.31Å; L86-L148 HydrophobicContact CD2-CD2 4Å; L86-L148 HydrophobicContact CG-CB 4.41Å; L86-L148 HydrophobicContact CG-CD2 4.05Å; P87-L148 WeakPolarHBondContact CD-O 3.38Å; L106-L148 HydrophobicContact CD1-CD1 3.52Å; V109-L148 HydrophobicContact CG1-CD2 3.92Å; L115-L148 HydrophobicContact CD1-CD2 3.78Å; Y120-L148 HydrophobicContact CD1-CD2 4.02Å; Y120-L148 HydrophobicContact CD1-CG 3.96Å; Y120-L148 HydrophobicContact CG-CD2 4.33Å; Y120-L148 HydrophobicContact CG-CG 4.33Å; F122-L148 HydrophobicContact CD1-CB 4.42Å; F122-L148 HydrophobicContact CD1-CD1 3.87Å; F122-L148 HydrophobicContact CE1-CB 4.31Å; F122-L148 HydrophobicContact CE1-CD1 3.56Å; F122-L148 HydrophobicContact CZ-CD1 4.19Å |
| 149 | C | 92.5 | Very high | 81.6 | Confident | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 157.7 | 178.9 | -81.1 | 0 | 0 | 0 | 0 | 110.8 | Y120 E121 E153 | Y120-C149 CarbonylContact C-O 3.52Å; Y120-C149 VanDerWaalsContact CA-O 3.24Å; Y120-C149 WeakPolarHBondContact CA-O 3.28Å; Y120-C149 WeakPolarHBondContact CB-O 3.49Å; Y120-C149 WeakPolarHBondContact CD1-O 3.42Å; E121-C149 PolarHBondContact N-O 2.8Å; E121-C149 PolarHBondContact O-N 2.93Å; C149-E153 VanDerWaalsContact CA-OE2 3.26Å; C149-E153 WeakPolarHBondContact CA-OE2 3.41Å; C149-E153 VanDerWaalsContact CB-OE2 3.24Å; C149-E153 WeakPolarHBondContact CB-OE2 3.35Å; C149-E153 PolarHBondContact SG-OE2 3.38Å; C149-E153 VanDerWaalsContact SG-OE2 3.37Å |
| 150 | H | 92.2 | Very high | 79.9 | Confident | 61 Ų | 61 | 62.8 Ų | 62.8 | 28% | 0.282 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 142.7 | 172.8 | -168.8 | -104.8 | 0 | 0 | 0 | 109.3 | K119 Y120 S152 E153 | K119-H150 WeakPolarHBondContact O-CA 3.16Å; K119-H150 PolarHBondContact O-CD2 2.98Å; K119-H150 VanDerWaalsContact O-CD2 3.23Å; Y120-H150 HydrophobicContact CD1-CB 4.32Å; Y120-H150 HydrophobicContact CE1-CB 4.12Å; Y120-H150 AromaticContact CE2-CD2 3.99Å; Y120-H150 AromaticContact CZ-CD2 3.9Å; H150-S152 PolarHBondContact CE1-OG 3.45Å; H150-S152 VanDerWaalsContact CE1-OG 3.32Å; H150-S152 PolarHBondContact ND1-N 3.39Å; H150-S152 PolarHBondContact ND1-OG 3.03Å; H150-S152 PolarHBondContact O-N 2.97Å; H150-S152 VanDerWaalsContact O-N 3.1Å; H150-E153 HydrophobicContact CB-CB 4.16Å; H150-E153 PolarHBondContact N-OE2 3.26Å; H150-E153 WeakPolarHBondContact O-CB 3.18Å; H150-E153 PolarHBondContact O-N 3.12Å |
| 151 | K | 91.6 | Very high | 77.8 | Confident | 110 Ų | 110 | 62.3 Ų | 62.3 | 48% | 0.478 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -18.7 | -176.6 | -69.6 | -178.3 | -177.9 | 170.7 | 0 | 114.3 | D118 K119 Y120 E121 | D118-K151 WeakPolarHBondContact O-CD 3.34Å; D118-K151 VanDerWaalsContact O-CE 3.25Å; D118-K151 WeakPolarHBondContact O-CE 3.31Å; D118-K151 PolarHBondContact O-NZ 3.2Å; K119-K151 PolarHBondContact O-N 2.91Å; Y120-K151 VanDerWaalsContact O-CE 3.3Å; Y120-K151 WeakPolarHBondContact O-CE 3.5Å; E121-K151 HydrophobicContact CB-CG 4.19Å; E121-K151 HydrophobicContact CG-CG 4.12Å |
| 152 | S | 87.3 | Confident | 76.1 | Confident | 86 Ų | 86 | 63.9 Ų | 63.9 | 60% | 0.601 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.2 | 10.3 | 171.8 | 81.9 | 0 | 0 | 0 | 0 | 113.6 | H150 S154 | H150-S152 PolarHBondContact CE1-OG 3.45Å; H150-S152 VanDerWaalsContact CE1-OG 3.32Å; H150-S152 PolarHBondContact ND1-N 3.39Å; H150-S152 PolarHBondContact ND1-OG 3.03Å; H150-S152 PolarHBondContact O-N 2.97Å; H150-S152 VanDerWaalsContact O-N 3.1Å; S152-S154 VanDerWaalsContact C-N 3.26Å; S152-S154 PolarHBondContact O-N 3.06Å |
| 153 | E | 80 | Confident | 74.4 | Confident | 52 Ų | 52 | 66.7 Ų | 66.7 | 24% | 0.243 | 35% | 0.35 | C | S | . | . | | | trans | -80.4 | 78.5 | 176.2 | -159.2 | 172.7 | -176.9 | 0 | 0 | 108.4 | C149 H150 F158 | C149-E153 VanDerWaalsContact CA-OE2 3.26Å; C149-E153 WeakPolarHBondContact CA-OE2 3.41Å; C149-E153 VanDerWaalsContact CB-OE2 3.24Å; C149-E153 WeakPolarHBondContact CB-OE2 3.35Å; C149-E153 PolarHBondContact SG-OE2 3.38Å; C149-E153 VanDerWaalsContact SG-OE2 3.37Å; H150-E153 HydrophobicContact CB-CB 4.16Å; H150-E153 PolarHBondContact N-OE2 3.26Å; H150-E153 WeakPolarHBondContact O-CB 3.18Å; H150-E153 PolarHBondContact O-N 3.12Å; E153-F158 HydrophobicContact CB-CZ 4.29Å; E153-F158 HydrophobicContact CG-CE1 3.87Å; E153-F158 HydrophobicContact CG-CE2 4.46Å; E153-F158 HydrophobicContact CG-CZ 3.64Å; E153-F158 VanDerWaalsContact OE1-CE1 3.29Å; E153-F158 WeakPolarHBondContact OE1-CE1 3.28Å |
| 154 | S | 62.6 | Low | 72.7 | Confident | 74 Ų | 74 | 70.5 Ų | 70.5 | 52% | 0.517 | 37% | 0.367 | S | S | . | . | | | trans | -52.8 | 141.3 | -179.6 | -59.2 | 0 | 0 | 0 | 0 | 111.4 | S152 D156 N157 | S152-S154 VanDerWaalsContact C-N 3.26Å; S152-S154 PolarHBondContact O-N 3.06Å; S154-D156 PolarHBondContact O-N 3.24Å; S154-N157 WeakPolarHBondContact O-CB 3.39Å; S154-N157 PolarHBondContact O-N 3.19Å |
| 155 | Y | 58.2 | Low | 70.8 | Confident | 151 Ų | 151 | 75.9 Ų | 75.9 | 59% | 0.592 | 39% | 0.387 | S | S | * | . | G | 310 helix | trans | -51.1 | -35.8 | -177.2 | -176.7 | -99.9 | 0 | 0 | 0 | 113.5 | A128 N157 F158 | A128-Y155 HydrophobicContact CB-CD2 4.28Å; A128-Y155 HydrophobicContact CB-CE2 4.3Å; Y155-N157 PolarHBondContact O-N 3.21Å; Y155-F158 WeakPolarHBondContact O-CD2 3.28Å; Y155-F158 PolarHBondContact O-N 3.07Å |
| 156 | D | 58.2 | Low | 68.7 | Low | 158 Ų | 158 | 76.8 Ų | 76.8 | 85% | 0.845 | 39% | 0.39 | S | S | * | . | G | 310 helix | trans | -66 | -18.9 | 179.2 | -159.5 | 41.4 | 0 | 0 | 0 | 114.2 | S154 | S154-D156 PolarHBondContact O-N 3.24Š|
| 157 | N | 56.8 | Low | 66.5 | Low | 133 Ų | 133 | 80.1 Ų | 80.1 | 71% | 0.711 | 41% | 0.406 | S | S | * | . | G | 310 helix | trans | -85.7 | -5.4 | -178.6 | -109.5 | 116.2 | 0 | 0 | 0 | 114.3 | S154 Y155 N159 | S154-N157 WeakPolarHBondContact O-CB 3.39Å; S154-N157 PolarHBondContact O-N 3.19Å; Y155-N157 PolarHBondContact O-N 3.21Å; N157-N159 PolarHBondContact O-N 2.87Å; N157-N159 VanDerWaalsContact O-N 3.16Å |
| 158 | F | 55.2 | Low | 64.1 | Low | 32 Ų | 32 | 85.6 Ų | 85.6 | 14% | 0.14 | 43% | 0.426 | C | S | . | . | | | trans | -79.3 | 94.6 | 177.5 | -67.4 | -64.1 | 0 | 0 | 0 | 111.5 | A128 E153 Y155 P160 | A128-F158 HydrophobicContact CB-CD2 3.67Å; A128-F158 HydrophobicContact CB-CE2 3.8Å; A128-F158 HydrophobicContact CB-CG 4.24Å; A128-F158 HydrophobicContact CB-CZ 4.43Å; E153-F158 HydrophobicContact CB-CZ 4.29Å; E153-F158 HydrophobicContact CG-CE1 3.87Å; E153-F158 HydrophobicContact CG-CE2 4.46Å; E153-F158 HydrophobicContact CG-CZ 3.64Å; E153-F158 VanDerWaalsContact OE1-CE1 3.29Å; E153-F158 WeakPolarHBondContact OE1-CE1 3.28Å; Y155-F158 WeakPolarHBondContact O-CD2 3.28Å; Y155-F158 PolarHBondContact O-N 3.07Å; F158-P160 VanDerWaalsContact O-CD 3.3Å; F158-P160 WeakPolarHBondContact O-CD 3.41Å; F158-P160 VanDerWaalsContact O-N 3.09Å |
| 159 | N | 51.1 | Low | 61.7 | Low | 94 Ų | 94 | 91.4 Ų | 91.4 | 50% | 0.503 | 46% | 0.462 | S | S | . | . | | | trans | -54.1 | 114.3 | 173.4 | 177.5 | 4.4 | 0 | 0 | 0 | 111.2 | N157 D161 V162 | N157-N159 PolarHBondContact O-N 2.87Å; N157-N159 VanDerWaalsContact O-N 3.16Å; N159-D161 PolarHBondContact O-N 3.47Å; N159-D161 VanDerWaalsContact O-N 3.17Å; N159-D161 WeakPolarHBondContact OD1-CB 3.41Å; N159-D161 PolarHBondContact OD1-N 3.44Å; N159-D161 VanDerWaalsContact OD1-N 3.07Å; N159-V162 HydrophobicContact CB-CG2 4.34Å; N159-V162 WeakPolarHBondContact O-CB 3.19Å; N159-V162 PolarHBondContact O-N 3.08Å |
| 160 | P | 54.7 | Low | 59.4 | Low | 78 Ų | 78 | 93.8 Ų | 93.8 | 51% | 0.506 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -65.8 | -20.4 | -175.3 | 26.4 | -35 | 0 | 0 | 0 | 113.2 | F158 V162 M163 H164 | F158-P160 VanDerWaalsContact O-CD 3.3Å; F158-P160 WeakPolarHBondContact O-CD 3.41Å; F158-P160 VanDerWaalsContact O-N 3.09Å; P160-V162 PolarHBondContact O-N 3.48Å; P160-M163 CarbonylContact O-C 3.55Å; P160-M163 WeakPolarHBondContact O-CA 3.11Å; P160-M163 WeakPolarHBondContact O-CB 3.3Å; P160-M163 PolarHBondContact O-N 3.38Å; P160-H164 PolarHBondContact O-CD2 2.84Å; P160-H164 PolarHBondContact O-N 3Å |
| 161 | D | 47 | Very low | 57.3 | Low | 96 Ų | 96 | 94.9 Ų | 94.9 | 51% | 0.513 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.8 | -22.9 | 174.6 | -163.6 | 25.7 | 0 | 0 | 0 | 112.4 | N159 R168 | N159-D161 PolarHBondContact O-N 3.47Å; N159-D161 VanDerWaalsContact O-N 3.17Å; N159-D161 WeakPolarHBondContact OD1-CB 3.41Å; N159-D161 PolarHBondContact OD1-N 3.44Å; N159-D161 VanDerWaalsContact OD1-N 3.07Å; D161-R168 IonicContact OD1-NH2 2.61Å |
| 162 | V | 56.6 | Low | 54.8 | Low | 54 Ų | 54 | 94 Ų | 94 | 33% | 0.327 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -80.1 | -36.9 | 169.9 | -171.7 | 0 | 0 | 0 | 0 | 111.4 | N159 P160 H164 K165 F166 | N159-V162 HydrophobicContact CB-CG2 4.34Å; N159-V162 WeakPolarHBondContact O-CB 3.19Å; N159-V162 PolarHBondContact O-N 3.08Å; P160-V162 PolarHBondContact O-N 3.48Å; V162-H164 VanDerWaalsContact C-N 3.28Å; V162-H164 PolarHBondContact O-N 3.2Å; V162-K165 WeakPolarHBondContact O-CB 3.44Å; V162-K165 PolarHBondContact O-N 2.77Å; V162-F166 HydrophobicContact CG1-CE2 4.07Å; V162-F166 WeakPolarHBondContact O-CD2 3.45Å; V162-F166 PolarHBondContact O-N 2.82Å |
| 163 | M | 55.3 | Low | 52.6 | Low | 73 Ų | 73 | 98.5 Ų | 98.5 | 36% | 0.36 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -60.8 | -39.3 | 170.2 | -75.8 | 173.5 | 63 | 0 | 0 | 111.2 | P160 K165 F166 Q167 | P160-M163 CarbonylContact O-C 3.55Å; P160-M163 WeakPolarHBondContact O-CA 3.11Å; P160-M163 WeakPolarHBondContact O-CB 3.3Å; P160-M163 PolarHBondContact O-N 3.38Å; M163-K165 PolarHBondContact O-N 2.62Å; M163-K165 VanDerWaalsContact O-N 3.1Å; M163-F166 PolarHBondContact O-N 2.91Å; M163-Q167 WeakPolarHBondContact O-CG 3.26Å; M163-Q167 PolarHBondContact O-N 2.94Å |
| 164 | H | 55 | Low | 50.7 | Low | 88 Ų | 88 | 102.9 Ų | 102.9 | 41% | 0.407 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -61.7 | -15.9 | 172.8 | -67.5 | -42.5 | 0 | 0 | 0 | 113.7 | P160 V162 Q167 R168 | P160-H164 PolarHBondContact O-CD2 2.84Å; P160-H164 PolarHBondContact O-N 3Å; V162-H164 VanDerWaalsContact C-N 3.28Å; V162-H164 PolarHBondContact O-N 3.2Å; H164-Q167 PolarHBondContact ND1-OE1 3.19Å; H164-R168 VanDerWaalsContact O-CB 3.3Å; H164-R168 WeakPolarHBondContact O-CB 3.42Å; H164-R168 VanDerWaalsContact O-CG 3.26Å; H164-R168 WeakPolarHBondContact O-CG 3.26Å; H164-R168 PolarHBondContact O-N 3.14Å; H164-R168 PolarHBondContact O-NE 3.01Å |
| 165 | K | 52.5 | Low | 49.6 | Very low | 144 Ų | 144 | 104.6 Ų | 104.6 | 63% | 0.626 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -79.3 | -37.4 | 168.8 | -86.2 | 167.4 | 168.5 | -81.1 | 0 | 112.8 | V162 M163 R168 | V162-K165 WeakPolarHBondContact O-CB 3.44Å; V162-K165 PolarHBondContact O-N 2.77Å; M163-K165 PolarHBondContact O-N 2.62Å; M163-K165 VanDerWaalsContact O-N 3.1Å; K165-R168 PolarHBondContact O-N 3.37Å |
| 166 | F | 51.9 | Low | 48.6 | Very low | 86 Ų | 86 | 106 Ų | 106 | 38% | 0.377 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -75.4 | -38.3 | 175.5 | -68.3 | -77 | 0 | 0 | 0 | 112.2 | L85 V162 M163 R168 T169 | L85-F166 HydrophobicContact CD2-CD1 4.07Å; L85-F166 HydrophobicContact CD2-CE1 3.6Å; L85-F166 HydrophobicContact CD2-CZ 4.05Å; V162-F166 HydrophobicContact CG1-CE2 4.07Å; V162-F166 WeakPolarHBondContact O-CD2 3.45Å; V162-F166 PolarHBondContact O-N 2.82Å; M163-F166 PolarHBondContact O-N 2.91Å; F166-R168 VanDerWaalsContact C-N 3.27Å; F166-R168 PolarHBondContact O-N 3.17Å; F166-T169 PolarHBondContact O-N 2.91Å; F166-T169 VanDerWaalsContact O-N 3.11Å; F166-T169 PolarHBondContact O-OG1 3.18Å |
| 167 | Q | 47.8 | Very low | 47.5 | Very low | 70 Ų | 70 | 103.5 Ų | 103.5 | 33% | 0.327 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -61.5 | -34.8 | 170.1 | -66.8 | 167.3 | -2 | 0 | 0 | 111.7 | M163 H164 T169 G170 V171 | M163-Q167 WeakPolarHBondContact O-CG 3.26Å; M163-Q167 PolarHBondContact O-N 2.94Å; H164-Q167 PolarHBondContact ND1-OE1 3.19Å; Q167-T169 PolarHBondContact O-N 2.83Å; Q167-T169 VanDerWaalsContact O-N 3.14Å; Q167-G170 PolarHBondContact O-N 3.18Å; Q167-V171 HydrophobicContact CB-CG2 4.19Å; Q167-V171 WeakPolarHBondContact O-CG2 3.3Å; Q167-V171 PolarHBondContact O-N 2.9Å |
| 168 | R | 43.4 | Very low | 46.6 | Very low | 156 Ų | 156 | 102.3 Ų | 102.3 | 59% | 0.589 | 57% | 0.565 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.1 | -16.9 | 175 | -94.6 | 176.9 | -86.6 | -151.2 | -4.2 | 114.1 | D161 H164 K165 F166 | D161-R168 IonicContact OD1-NH2 2.61Å; H164-R168 VanDerWaalsContact O-CB 3.3Å; H164-R168 WeakPolarHBondContact O-CB 3.42Å; H164-R168 VanDerWaalsContact O-CG 3.26Å; H164-R168 WeakPolarHBondContact O-CG 3.26Å; H164-R168 PolarHBondContact O-N 3.14Å; H164-R168 PolarHBondContact O-NE 3.01Å; K165-R168 PolarHBondContact O-N 3.37Å; F166-R168 VanDerWaalsContact C-N 3.27Å; F166-R168 PolarHBondContact O-N 3.17Å |
| 169 | T | 45.9 | Very low | 45.6 | Very low | 124 Ų | 124 | 105.7 Ų | 105.7 | 76% | 0.761 | 59% | 0.593 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.2 | -11.6 | 171 | 32.6 | 0 | 0 | 0 | 0 | 115 | F166 Q167 | F166-T169 PolarHBondContact O-N 2.91Å; F166-T169 VanDerWaalsContact O-N 3.11Å; F166-T169 PolarHBondContact O-OG1 3.18Å; Q167-T169 PolarHBondContact O-N 2.83Å; Q167-T169 VanDerWaalsContact O-N 3.14Å |
| 170 | G | 44.4 | Very low | 45 | Very low | 50 Ų | 50 | 105.6 Ų | 105.6 | 52% | 0.515 | 60% | 0.599 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -114.3 | -34 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | Q167 | Q167-G170 PolarHBondContact O-N 3.18Š|
| 171 | V | 48.5 | Very low | 44.4 | Very low | 83 Ų | 83 | 107.5 Ų | 107.5 | 50% | 0.503 | 61% | 0.606 | S | S | . | * | S | Bend | trans | -103.4 | -1.5 | -160.7 | -169.3 | 0 | 0 | 0 | 0 | 113.6 | Q58 Q167 R173 | Q58-V171 HydrophobicContact CG-CG2 4.47Å; Q167-V171 HydrophobicContact CB-CG2 4.19Å; Q167-V171 WeakPolarHBondContact O-CG2 3.3Å; Q167-V171 PolarHBondContact O-N 2.9Å; V171-R173 VanDerWaalsContact C-N 3.26Å; V171-R173 PolarHBondContact O-N 3.44Å |
| 172 | A | 39.5 | Very low | 44 | Very low | 91 Ų | 91 | 111.7 Ų | 111.7 | 75% | 0.752 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.1 | 46 | -169.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 173 | R | 41 | Very low | 43 | Very low | 181 Ų | 181 | 113.9 Ų | 113.9 | 68% | 0.683 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -142 | -23.4 | -178.7 | -142.2 | 176.4 | 178.7 | 85.6 | 6.7 | 119.5 | V171 | V171-R173 VanDerWaalsContact C-N 3.26Å; V171-R173 PolarHBondContact O-N 3.44Å |
| 174 | D | 38.1 | Very low | 42.1 | Very low | 145 Ų | 145 | 115.4 Ų | 115.4 | 78% | 0.775 | 66% | 0.655 | S | S | * | * | S | Bend | trans | -124.1 | 141.1 | -175.5 | -72 | -71.6 | 0 | 0 | 0 | 113.8 | | |
| 175 | S | 41.2 | Very low | 41.3 | Very low | 110 Ų | 110 | 115.1 Ų | 115.1 | 77% | 0.769 | 66% | 0.663 | S | S | * | * | | | trans | 54.4 | 73.3 | 162 | -60.1 | 0 | 0 | 0 | 0 | 119.4 | S177 | S175-S177 PolarHBondContact O-N 3.13Š|
| 176 | L | 37 | Very low | 40.8 | Very low | 181 Ų | 181 | 118.1 Ų | 118.1 | 95% | 0.948 | 67% | 0.67 | S | S | * | * | | | trans | -71 | 94.5 | 143.4 | -77.9 | 174.5 | 0 | 0 | 0 | 109.4 | | |
| 177 | S | 35.3 | Very low | 40.3 | Very low | 104 Ų | 104 | 122.7 Ų | 122.7 | 73% | 0.727 | 69% | 0.692 | S | S | * | * | | | trans | -160.8 | 136 | 168 | -79.7 | 0 | 0 | 0 | 0 | 112.4 | S175 | S175-S177 PolarHBondContact O-N 3.13Š|
| 178 | S | 36.2 | Very low | 39.9 | Very low | 108 Ų | 108 | 124.9 Ų | 124.9 | 76% | 0.755 | 72% | 0.715 | S | S | * | * | | | trans | 46.3 | 108.7 | 154.7 | -88.1 | 0 | 0 | 0 | 0 | 119.2 | | |
| 179 | S | 35.1 | Very low | 39.9 | Very low | 104 Ų | 104 | 126.8 Ų | 126.8 | 73% | 0.727 | 73% | 0.728 | S | S | * | * | | | | 75.4 | 137.9 | 80.8 | 74.1 | 0 | 0 | 0 | 0 | 112.8 | | |
| 180 | S | 38.2 | Very low | 39.7 | Very low | 91 Ų | 91 | 127.9 Ų | 127.9 | 64% | 0.636 | 73% | 0.734 | S | S | * | * | | | cis | -155.9 | -168.7 | 8 | 34.1 | 0 | 0 | 0 | 0 | 108 | | |
| 181 | D | 42.3 | Very low | 39.6 | Very low | 119 Ų | 119 | 131.3 Ų | 131.3 | 64% | 0.636 | 75% | 0.745 | S | S | * | * | | | cis | -165.2 | 151 | 33.1 | -97.4 | -59.6 | 0 | 0 | 0 | 111.9 | | |
| 182 | F | 38.8 | Very low | 39.3 | Very low | 184 Ų | 184 | 132.3 Ų | 132.3 | 81% | 0.807 | 76% | 0.762 | S | S | * | * | | | trans | 61.6 | 153.3 | 147.8 | -78.2 | -125.7 | 0 | 0 | 0 | 120.5 | | |
| 183 | S | 35.5 | Very low | 39.5 | Very low | 100 Ų | 100 | 137.4 Ų | 137.4 | 70% | 0.699 | 77% | 0.767 | S | S | * | * | | | cis | -169.1 | 131.2 | -25.6 | -107.1 | 0 | 0 | 0 | 0 | 111.6 | | |
| 184 | S | 36.8 | Very low | 39.7 | Very low | 104 Ų | 104 | 135.2 Ų | 135.2 | 73% | 0.727 | 77% | 0.774 | S | S | * | * | | | trans | 165.8 | 114.1 | 144.7 | -172.4 | 0 | 0 | 0 | 0 | 107.5 | | |
| 185 | S | 37.4 | Very low | 39.9 | Very low | 82 Ų | 82 | 134.1 Ų | 134.1 | 57% | 0.573 | 78% | 0.775 | S | S | * | * | | | | 67.4 | 129.9 | 69.4 | 106.4 | 0 | 0 | 0 | 0 | 113 | | |
| 186 | R | 43.6 | Very low | 39.4 | Very low | 208 Ų | 208 | 134.7 Ų | 134.7 | 79% | 0.785 | 78% | 0.779 | S | S | * | * | | | cis | -136.5 | 171.9 | 6.1 | -70.5 | 101.2 | -167 | -98.7 | 0.5 | 111.6 | | |
| 187 | H | 39.8 | Very low | 39.7 | Very low | 182 Ų | 182 | 131 Ų | 131 | 84% | 0.843 | 77% | 0.766 | S | S | * | * | | | trans | 60.9 | 153.6 | 157.7 | 73.8 | 38.4 | 0 | 0 | 0 | 118.9 | | |
| 188 | S | 39.6 | Very low | 39.8 | Very low | 116 Ų | 116 | 136 Ų | 136 | 81% | 0.811 | 77% | 0.77 | S | S | * | * | | | cis | -139.7 | 164.3 | 6.2 | -165.6 | 0 | 0 | 0 | 0 | 111.7 | | |
| 189 | K | 43.1 | Very low | 39.7 | Very low | 195 Ų | 195 | 136.3 Ų | 136.3 | 85% | 0.848 | 77% | 0.773 | S | S | * | * | | | trans | -98.1 | 124.8 | -175.4 | -59.4 | 172.7 | -177.2 | 174.2 | 0 | 111.7 | | |
| 190 | V | 42.2 | Very low | 39.9 | Very low | 147 Ų | 147 | 136 Ų | 136 | 89% | 0.891 | 77% | 0.77 | S | S | * | * | | | trans | -135.4 | 136.6 | 150.4 | -178 | 0 | 0 | 0 | 0 | 108.1 | | |
| 191 | T | 41.9 | Very low | 39.6 | Very low | 122 Ų | 122 | 136.6 Ų | 136.6 | 75% | 0.748 | 77% | 0.774 | S | S | * | * | | | trans | -125.6 | 120 | -172.9 | -57.9 | 0 | 0 | 0 | 0 | 110.7 | | |
| 192 | A | 43.7 | Very low | 39.4 | Very low | 104 Ų | 104 | 138 Ų | 138 | 86% | 0.86 | 78% | 0.782 | S | S | * | * | | | trans | -143.1 | 135.1 | 164.7 | 0 | 0 | 0 | 0 | 0 | 108.7 | | |
| 193 | K | 43 | Very low | 39.3 | Very low | 198 Ų | 198 | 133.8 Ų | 133.8 | 86% | 0.861 | 78% | 0.775 | S | S | * | * | | | trans | -104.2 | 135 | -175.2 | -61.1 | 176.3 | -179.3 | 178.4 | 0 | 110.4 | | |
| 194 | T | 45.4 | Very low | 39.6 | Very low | 136 Ų | 136 | 136.8 Ų | 136.8 | 83% | 0.834 | 78% | 0.783 | S | S | * | * | | | trans | -125.9 | 143.9 | 154.7 | 49.3 | 0 | 0 | 0 | 0 | 109.1 | | |
| 195 | P | 42.5 | Very low | 39.7 | Very low | 122 Ų | 122 | 137.3 Ų | 137.3 | 79% | 0.792 | 78% | 0.777 | S | S | * | * | | | trans | -90.8 | 148.5 | -163 | 34.6 | -36 | 0 | 0 | 0 | 114.1 | | |
| 196 | S | 29.8 | Very low | 39.7 | Very low | 122 Ų | 122 | 139 Ų | 139 | 85% | 0.853 | 79% | 0.789 | S | S | * | * | | | trans | -79.5 | 143.8 | 169.6 | -45.3 | 0 | 0 | 0 | 0 | 112.3 | | |
| 197 | P | 43.5 | Very low | 39.7 | Very low | 102 Ų | 102 | 137.9 Ų | 137.9 | 66% | 0.662 | 80% | 0.795 | S | S | * | * | | | trans | -132.1 | 120.9 | 155.3 | 34.6 | -19.6 | 0 | 0 | 0 | 112.8 | | |
| 198 | Y | 37.6 | Very low | 39.7 | Very low | 210 Ų | 210 | 136 Ų | 136 | 82% | 0.824 | 79% | 0.791 | S | S | * | * | | | trans | 60.9 | 123 | 170.1 | -50.8 | -78.6 | 0 | 0 | 0 | 117.5 | | |
| 199 | S | 33.9 | Very low | 39.6 | Very low | 115 Ų | 115 | 134.7 Ų | 134.7 | 80% | 0.804 | 78% | 0.782 | S | S | * | * | | | cis | 63.7 | 72.3 | -2.6 | -168.3 | 0 | 0 | 0 | 0 | 118.4 | | |
| 200 | S | 39.1 | Very low | 39.6 | Very low | 96 Ų | 96 | 132.3 Ų | 132.3 | 67% | 0.671 | 78% | 0.784 | S | S | * | * | | | trans | -172.9 | 114.9 | 142 | 50.9 | 0 | 0 | 0 | 0 | 108.7 | | |
| 201 | S | 32.4 | Very low | 39.5 | Very low | 104 Ų | 104 | 128 Ų | 128 | 73% | 0.727 | 77% | 0.769 | S | S | * | * | | | | 78.1 | 85.9 | 66.2 | -60 | 0 | 0 | 0 | 0 | 114.3 | | |
| 202 | N | 38 | Very low | 39.8 | Very low | 149 Ų | 149 | 129.6 Ų | 129.6 | 80% | 0.797 | 77% | 0.77 | S | S | * | * | | | trans | -163.8 | 114.8 | 148.9 | -119.2 | -4.9 | 0 | 0 | 0 | 108 | | |
| 203 | S | 36.4 | Very low | 39.5 | Very low | 96 Ų | 96 | 130.2 Ų | 130.2 | 67% | 0.671 | 76% | 0.759 | S | S | * | * | | | cis | 77.5 | 62.5 | 24 | -41.3 | 0 | 0 | 0 | 0 | 115.2 | | |
| 204 | L | 41.9 | Very low | 39.3 | Very low | 163 Ų | 163 | 130.6 Ų | 130.6 | 85% | 0.853 | 76% | 0.756 | S | S | * | * | | | trans | -130.2 | 45.7 | 160.1 | -73.9 | -179.8 | 0 | 0 | 0 | 112.8 | | |
| 205 | N | 38 | Very low | 39.2 | Very low | 115 Ų | 115 | 128.7 Ų | 128.7 | 62% | 0.615 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -89.1 | 160.7 | 141.1 | -90.9 | 67.4 | 0 | 0 | 0 | 108 | | |
| 206 | S | 37.8 | Very low | 39.3 | Very low | 118 Ų | 118 | 132.8 Ų | 132.8 | 83% | 0.825 | 74% | 0.744 | S | S | * | * | | | trans | 62.4 | 75.4 | 172.4 | -53.3 | 0 | 0 | 0 | 0 | 115.5 | | |
| 207 | M | 43.8 | Very low | 39.9 | Very low | 184 Ų | 184 | 133.5 Ų | 133.5 | 91% | 0.906 | 74% | 0.743 | S | S | * | * | | | trans | -120.7 | 56.9 | 143.5 | -157.6 | -167.1 | 79.9 | 0 | 0 | 109.9 | | |
| 208 | D | 40.7 | Very low | 39.9 | Very low | 141 Ų | 141 | 133.6 Ų | 133.6 | 75% | 0.754 | 74% | 0.744 | S | S | * | * | | | trans | -92.1 | 122.5 | 165.6 | -145.1 | -33.1 | 0 | 0 | 0 | 109.1 | | |
| 209 | S | 36.3 | Very low | 40.3 | Very low | 89 Ų | 89 | 130.5 Ų | 130.5 | 62% | 0.622 | 75% | 0.747 | S | S | * | * | S | Bend | trans | 43.9 | 130.6 | 150.6 | -56.6 | 0 | 0 | 0 | 0 | 121.7 | | |
| 210 | T | 44.5 | Very low | 40.8 | Very low | 146 Ų | 146 | 130.6 Ų | 130.6 | 90% | 0.896 | 74% | 0.742 | S | S | * | * | | | trans | 74 | 146.6 | 175.7 | 77.1 | 0 | 0 | 0 | 0 | 115.7 | | |
| 211 | G | 40 | Very low | 41.5 | Very low | 55 Ų | 55 | 132.1 Ų | 132.1 | 57% | 0.567 | 75% | 0.747 | S | S | * | * | | | cis | 125.3 | 126 | -10.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 212 | M | 47.3 | Very low | 42.4 | Very low | 156 Ų | 156 | 132.7 Ų | 132.7 | 77% | 0.768 | 75% | 0.748 | S | S | * | * | | | trans | 85.9 | 112 | -176.4 | -42.3 | -38.3 | 140.8 | 0 | 0 | 113.1 | | |
| 213 | N | 37.8 | Very low | 42.8 | Very low | 118 Ų | 118 | 131.6 Ų | 131.6 | 63% | 0.631 | 75% | 0.75 | S | S | * | * | | | | 64.9 | 121.2 | 83.1 | -57.4 | -40.4 | 0 | 0 | 0 | 111 | | |
| 214 | Y | 39.2 | Very low | 43.4 | Very low | 205 Ų | 205 | 131.4 Ų | 131.4 | 80% | 0.804 | 75% | 0.754 | S | S | * | * | | | | -170.9 | 172.6 | 64 | -71.8 | -67.9 | 0 | 0 | 0 | 108.9 | | |
| 215 | T | 42.7 | Very low | 44 | Very low | 96 Ų | 96 | 133.6 Ų | 133.6 | 59% | 0.589 | 76% | 0.756 | S | S | * | * | | | cis | -171.5 | 151.7 | -14.8 | -95 | 0 | 0 | 0 | 0 | 109.3 | | |
| 216 | R | 44.8 | Very low | 44.7 | Very low | 209 Ų | 209 | 135 Ų | 135 | 79% | 0.789 | 77% | 0.769 | S | S | * | * | | | trans | 68.1 | 155.9 | 174.2 | -75.5 | 164.4 | -175.6 | -101.5 | -0.1 | 115.6 | | |
| 217 | T | 42.9 | Very low | 45.6 | Very low | 136 Ų | 136 | 137.4 Ų | 137.4 | 83% | 0.834 | 77% | 0.772 | S | S | * | * | | | cis | -116.6 | 161.4 | 11 | 48.9 | 0 | 0 | 0 | 0 | 114.6 | | |
| 218 | P | 43.5 | Very low | 46.3 | Very low | 104 Ų | 104 | 132.6 Ų | 132.6 | 68% | 0.675 | 76% | 0.761 | S | S | * | * | | | trans | -111.5 | 149.8 | 179.5 | 39.1 | -31 | 0 | 0 | 0 | 115 | | |
| 219 | V | 44.2 | Very low | 47.2 | Very low | 146 Ų | 146 | 131.3 Ų | 131.3 | 89% | 0.885 | 76% | 0.761 | S | S | * | * | | | trans | 177.3 | 132.3 | 147.6 | 160.3 | 0 | 0 | 0 | 0 | 106 | | |
| 220 | V | 46.1 | Very low | 48.4 | Very low | 116 Ų | 116 | 132.5 Ų | 132.5 | 70% | 0.703 | 77% | 0.766 | S | S | * | * | | | cis | -177.3 | 122.5 | -25.9 | 125.7 | 0 | 0 | 0 | 0 | 105.8 | | |
| 221 | V | 52.7 | Low | 49.2 | Very low | 129 Ų | 129 | 131.4 Ų | 131.4 | 78% | 0.782 | 76% | 0.761 | S | S | * | * | | | trans | 65.2 | 156.4 | 153.1 | 175.4 | 0 | 0 | 0 | 0 | 117.8 | | |
| 222 | P | 52 | Low | 49.8 | Very low | 115 Ų | 115 | 140.2 Ų | 140.2 | 75% | 0.747 | 78% | 0.777 | S | S | * | * | | | cis | -113.4 | 171.4 | -4.4 | 17 | 7 | 0 | 0 | 0 | 115.6 | | |
| 223 | P | 46.2 | Very low | 50.4 | Low | 127 Ų | 127 | 142.2 Ų | 142.2 | 83% | 0.825 | 78% | 0.782 | S | S | * | * | | | trans | -100.8 | 142.4 | -171.5 | 37 | -33 | 0 | 0 | 0 | 115.6 | | |
| 224 | A | 49.8 | Very low | 51.2 | Low | 92 Ų | 92 | 146.2 Ų | 146.2 | 76% | 0.76 | 79% | 0.794 | S | S | * | * | | | trans | -138.7 | 100.6 | 171.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | V226 | A224-V226 PolarHBondContact O-N 3.12Š|
| 225 | K | 53.6 | Low | 51.9 | Low | 208 Ų | 208 | 147.7 Ų | 147.7 | 90% | 0.904 | 80% | 0.798 | S | S | * | * | | | trans | 41.7 | 70.6 | 148.1 | -59.2 | 175.9 | -177 | 173.3 | 0 | 117.6 | L227 | K225-L227 PolarHBondContact O-N 2.97Š|
| 226 | V | 52.7 | Low | 52.9 | Low | 146 Ų | 146 | 149.5 Ų | 149.5 | 89% | 0.885 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 116.9 | 163.7 | 178.9 | 0 | 0 | 0 | 0 | 109.9 | A224 A228 | A224-V226 PolarHBondContact O-N 3.12Å; V226-A228 PolarHBondContact O-N 3.26Å |
| 227 | L | 56.6 | Low | 53.6 | Low | 168 Ų | 168 | 143.2 Ų | 143.2 | 88% | 0.88 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -70.6 | 120.4 | 172.5 | -91 | 149.7 | 0 | 0 | 0 | 110.2 | K225 | K225-L227 PolarHBondContact O-N 2.97Š|
| 228 | A | 58.4 | Low | 54.8 | Low | 82 Ų | 82 | 142.6 Ų | 142.6 | 68% | 0.678 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -69.4 | 139.5 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112 | V226 | V226-A228 PolarHBondContact O-N 3.26Š|
| 229 | P | 60.5 | Low | 56.2 | Low | 115 Ų | 115 | 148.5 Ų | 148.5 | 75% | 0.747 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -56.3 | 139.6 | 171.2 | -25.4 | 34.7 | 0 | 0 | 0 | 111.6 | | |
| 230 | P | 61.7 | Low | 57.1 | Low | 113 Ų | 113 | 146.5 Ų | 146.5 | 73% | 0.734 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -55.6 | 134.2 | -177.9 | -27.9 | 35.1 | 0 | 0 | 0 | 112.3 | R232 | P230-R232 PolarHBondContact O-N 2.91Š|
| 231 | P | 61.7 | Low | 58.2 | Low | 123 Ų | 123 | 147 Ų | 147 | 80% | 0.799 | 81% | 0.805 | S | S | * | * | | | trans | -66.8 | 96.7 | -176.2 | 25.9 | -34.2 | 0 | 0 | 0 | 110.7 | K233 | P231-K233 PolarHBondContact O-N 2.88Š|
| 232 | R | 52.3 | Low | 58.4 | Low | 241 Ų | 241 | 144.7 Ų | 144.7 | 91% | 0.909 | 79% | 0.794 | S | S | * | * | | | trans | -57.7 | 99 | 173.4 | -77.7 | -179.4 | 169.4 | 155.7 | -3.3 | 109 | P230 K234 | P230-R232 PolarHBondContact O-N 2.91Å; R232-K234 PolarHBondContact O-N 3.21Å |
| 233 | K | 58.9 | Low | 58.4 | Low | 197 Ų | 197 | 148.3 Ų | 148.3 | 86% | 0.857 | 80% | 0.801 | S | S | * | * | | | trans | -54.1 | 103 | 176.6 | -72.2 | 177.7 | 178.8 | 172 | 0 | 109 | P231 R235 | P231-K233 PolarHBondContact O-N 2.88Å; K233-R235 VanDerWaalsContact C-N 3.28Å; K233-R235 PolarHBondContact O-N 2.94Å |
| 234 | K | 55.3 | Low | 58.9 | Low | 203 Ų | 203 | 148.5 Ų | 148.5 | 88% | 0.883 | 80% | 0.799 | S | S | * | * | | | trans | -61 | 93.9 | 168.5 | -74.9 | -170.5 | 177 | -176.5 | 0 | 107.7 | R232 T236 | R232-K234 PolarHBondContact O-N 3.21Å; K234-T236 PolarHBondContact O-N 2.96Å |
| 235 | R | 53.2 | Low | 58.7 | Low | 235 Ų | 235 | 149.4 Ų | 149.4 | 89% | 0.887 | 80% | 0.799 | S | S | * | * | | | trans | -65 | 101 | 167.5 | -67.4 | -179.3 | 73.3 | 166.7 | 3 | 105.9 | K233 A237 | K233-R235 VanDerWaalsContact C-N 3.28Å; K233-R235 PolarHBondContact O-N 2.94Å; R235-A237 PolarHBondContact O-N 3.43Å |
| 236 | T | 65 | Low | 58.3 | Low | 134 Ų | 134 | 146.2 Ų | 146.2 | 82% | 0.822 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -48 | 125 | 173.5 | -52.6 | 0 | 0 | 0 | 0 | 108.3 | K234 | K234-T236 PolarHBondContact O-N 2.96Š|
| 237 | A | 59.4 | Low | 58.1 | Low | 77 Ų | 77 | 144.2 Ų | 144.2 | 64% | 0.636 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -54.2 | 137.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 109 | R235 R239 | R235-A237 PolarHBondContact O-N 3.43Å; A237-R239 PolarHBondContact O-N 3.5Å; A237-R239 VanDerWaalsContact O-N 3.1Å |
| 238 | P | 66.6 | Low | 57.5 | Low | 124 Ų | 124 | 145.4 Ų | 145.4 | 81% | 0.805 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 123.4 | 179 | 23.4 | -32.7 | 0 | 0 | 0 | 108.5 | | |
| 239 | R | 74.4 | Confident | 56.8 | Low | 227 Ų | 227 | 150 Ų | 150 | 86% | 0.857 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 129.4 | -178.3 | -169 | 176.6 | -171.9 | 167.6 | 1.5 | 107.7 | A237 | A237-R239 PolarHBondContact O-N 3.5Å; A237-R239 VanDerWaalsContact O-N 3.1Å |
| 240 | P | 61.4 | Low | 56.1 | Low | 104 Ų | 104 | 149.6 Ų | 149.6 | 68% | 0.675 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 141 | 179.2 | 24 | -34 | 0 | 0 | 0 | 109.2 | S242 | P240-S242 PolarHBondContact O-N 3.39Š|
| 241 | P | 69.6 | Low | 55.2 | Low | 128 Ų | 128 | 150.5 Ų | 150.5 | 83% | 0.831 | 79% | 0.792 | S | S | * | * | | | trans | -59.5 | 110.9 | -176.8 | 23.8 | -33.3 | 0 | 0 | 0 | 109.2 | | |
| 242 | S | 56.9 | Low | 54.8 | Low | 79 Ų | 79 | 149.7 Ų | 149.7 | 55% | 0.552 | 79% | 0.787 | S | S | * | * | | | trans | -63.6 | 139.1 | 175.2 | 47.5 | 0 | 0 | 0 | 0 | 109.3 | P240 V244 | P240-S242 PolarHBondContact O-N 3.39Å; S242-V244 PolarHBondContact O-N 3.05Å |
| 243 | Q | 52.4 | Low | 54.2 | Low | 191 Ų | 191 | 146.2 Ų | 146.2 | 89% | 0.893 | 79% | 0.786 | S | S | * | * | S | Bend | trans | -71 | 33 | -179.4 | -62.3 | 174.6 | -94.1 | 0 | 0 | 113.6 | | |
| 244 | V | 56.6 | Low | 53.7 | Low | 131 Ų | 131 | 144 Ų | 144 | 79% | 0.794 | 78% | 0.782 | S | S | * | * | | | trans | -115.7 | 28 | -177.8 | -159.3 | 0 | 0 | 0 | 0 | 109.7 | S242 | S242-V244 PolarHBondContact O-N 3.05Š|
| 245 | C | 45.2 | Very low | 53.1 | Low | 111 Ų | 111 | 140.5 Ų | 140.5 | 75% | 0.75 | 78% | 0.78 | S | S | * | * | | | trans | -140.7 | 34.3 | 174 | -165 | 0 | 0 | 0 | 0 | 110.9 | | |
| 246 | I | 45.8 | Very low | 52.2 | Low | 141 Ų | 141 | 134.3 Ų | 134.3 | 72% | 0.723 | 78% | 0.779 | S | S | * | * | S | Bend | trans | -87.1 | 117.4 | 143 | -61 | 175 | 0 | 0 | 0 | 103.7 | E248 | I246-E248 PolarHBondContact O-N 3.19Å; I246-E248 VanDerWaalsContact O-N 3.14Å |
| 247 | P | 47.9 | Very low | 51.1 | Low | 105 Ų | 105 | 132.6 Ų | 132.6 | 68% | 0.682 | 78% | 0.779 | S | S | * | * | | | trans | -65.1 | 113 | 171.2 | -18.8 | 32.4 | 0 | 0 | 0 | 108.6 | Q249 | P247-Q249 VanDerWaalsContact C-N 3.33Å; P247-Q249 PolarHBondContact O-N 3.45Å |
| 248 | E | 45.3 | Very low | 50 | Low | 192 Ų | 192 | 136.3 Ų | 136.3 | 90% | 0.897 | 79% | 0.788 | S | S | * | * | | | trans | -66.9 | 99.1 | 161.6 | -68.9 | -172.6 | 144.9 | 0 | 0 | 106.8 | I246 S250 | I246-E248 PolarHBondContact O-N 3.19Å; I246-E248 VanDerWaalsContact O-N 3.14Å; E248-S250 VanDerWaalsContact C-N 3.28Å; E248-S250 PolarHBondContact O-N 2.99Å |
| 249 | Q | 42.8 | Very low | 49 | Very low | 179 Ų | 179 | 135 Ų | 135 | 84% | 0.836 | 78% | 0.781 | S | S | * | * | | | trans | -70 | 93.4 | 168.1 | -79.5 | -170.8 | -30 | 0 | 0 | 108 | P247 V251 | P247-Q249 VanDerWaalsContact C-N 3.33Å; P247-Q249 PolarHBondContact O-N 3.45Å; Q249-V251 PolarHBondContact O-N 2.95Å |
| 250 | S | 46.8 | Very low | 47.6 | Very low | 107 Ų | 107 | 134 Ų | 134 | 75% | 0.748 | 78% | 0.783 | S | S | * | * | | | trans | -53.2 | 109.6 | 165.2 | 52.5 | 0 | 0 | 0 | 0 | 109.2 | E248 P252 | E248-S250 VanDerWaalsContact C-N 3.28Å; E248-S250 PolarHBondContact O-N 2.99Å; S250-P252 WeakPolarHBondContact O-CD 3.45Å |
| 251 | V | 42.6 | Very low | 46.8 | Very low | 131 Ų | 131 | 135.4 Ų | 135.4 | 79% | 0.794 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 124.2 | 172.1 | 178 | 0 | 0 | 0 | 0 | 107.9 | Q249 | Q249-V251 PolarHBondContact O-N 2.95Š|
| 252 | P | 52.2 | Low | 45.4 | Very low | 106 Ų | 106 | 138.2 Ų | 138.2 | 69% | 0.688 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -74.4 | 130.4 | 176.3 | -16.2 | 31.6 | 0 | 0 | 0 | 111.5 | S250 | S250-P252 WeakPolarHBondContact O-CD 3.45Š|
| 253 | D | 39.6 | Very low | 44.7 | Very low | 168 Ų | 168 | 140.4 Ų | 140.4 | 90% | 0.898 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -71.9 | 127.5 | 169 | -80.6 | -56 | 0 | 0 | 0 | 111.1 | | |
| 254 | I | 49.4 | Very low | 44.2 | Very low | 151 Ų | 151 | 136.1 Ų | 136.1 | 77% | 0.774 | 81% | 0.807 | S | S | * | * | | | trans | -139.5 | 129.4 | 166.7 | -57.8 | -177.6 | 0 | 0 | 0 | 107.6 | | |
| 255 | P | 41.9 | Very low | 43.2 | Very low | 129 Ų | 129 | 140.5 Ų | 140.5 | 84% | 0.838 | 81% | 0.811 | S | S | * | * | | | trans | -73.8 | 153.1 | -171.9 | 29.3 | -35.8 | 0 | 0 | 0 | 113.8 | | |
| 256 | A | 34.9 | Very low | 43.1 | Very low | 105 Ų | 105 | 139.5 Ų | 139.5 | 87% | 0.868 | 81% | 0.811 | S | S | * | * | | | trans | -95.9 | 144.4 | -171.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 257 | A | 40.6 | Very low | 42.7 | Very low | 98 Ų | 98 | 138.5 Ų | 138.5 | 81% | 0.81 | 81% | 0.811 | S | S | * | * | | | trans | -145.7 | 85.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 258 | N | 38.2 | Very low | 42.5 | Very low | 155 Ų | 155 | 140.6 Ų | 140.6 | 83% | 0.829 | 82% | 0.815 | S | S | * | * | | | trans | 64.1 | 155.2 | 143 | -150.5 | 11.2 | 0 | 0 | 0 | 122.5 | | |
| 259 | S | 45.3 | Very low | 42.4 | Very low | 96 Ų | 96 | 138 Ų | 138 | 67% | 0.671 | 81% | 0.812 | S | S | * | * | | | trans | 56.3 | 119.7 | 170.1 | 42.2 | 0 | 0 | 0 | 0 | 118.2 | | |
| 260 | K | 43.3 | Very low | 42.6 | Very low | 206 Ų | 206 | 138.2 Ų | 138.2 | 90% | 0.896 | 81% | 0.81 | S | S | * | * | | | cis | 78.7 | 91.8 | 46.6 | -69.3 | -169.5 | 173 | -173.9 | 0 | 115.9 | | |
| 261 | S | 46.6 | Very low | 42.4 | Very low | 135 Ų | 135 | 143.6 Ų | 143.6 | 94% | 0.944 | 81% | 0.814 | S | S | * | * | | | trans | -162.9 | 175.3 | 145.3 | 54.4 | 0 | 0 | 0 | 0 | 110.4 | | |
| 262 | E | 38.4 | Very low | 43 | Very low | 187 Ų | 187 | 143.6 Ų | 143.6 | 87% | 0.874 | 82% | 0.817 | S | S | * | * | | | trans | -118.9 | 152.2 | -153.2 | -162.1 | 163.2 | 136.8 | 0 | 0 | 112.8 | | |
| 263 | P | 43.7 | Very low | 42.3 | Very low | 124 Ų | 124 | 145.6 Ų | 145.6 | 81% | 0.805 | 82% | 0.817 | S | S | * | * | | | trans | -94.2 | 157.1 | -162.1 | 36.2 | -36.1 | 0 | 0 | 0 | 115.6 | | |
| 264 | A | 41.9 | Very low | 42.4 | Very low | 101 Ų | 101 | 144.5 Ų | 144.5 | 84% | 0.835 | 81% | 0.81 | S | S | * | * | | | trans | -112.3 | 136.3 | 169.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 265 | Y | 35.5 | Very low | 41.9 | Very low | 224 Ų | 224 | 143 Ų | 143 | 88% | 0.878 | 81% | 0.812 | S | S | * | * | | | trans | -81.3 | 129.7 | 178.7 | -118.4 | -109.5 | 0 | 0 | 0 | 111.2 | | |
| 266 | A | 42.4 | Very low | 41.5 | Very low | 90 Ų | 90 | 144.7 Ų | 144.7 | 74% | 0.744 | 81% | 0.811 | S | S | * | * | | | trans | -138.1 | 126.1 | 167.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 267 | V | 37.2 | Very low | 41.9 | Very low | 120 Ų | 120 | 145.6 Ų | 145.6 | 73% | 0.727 | 81% | 0.81 | S | S | * | * | | | trans | -88.8 | 120.1 | -176.1 | 175.7 | 0 | 0 | 0 | 0 | 110.2 | V269 | V267-V269 HydrophobicContact CG1-CG2 4.14Š|
| 268 | I | 44.3 | Very low | 42 | Very low | 148 Ų | 148 | 145.5 Ų | 145.5 | 76% | 0.759 | 80% | 0.8 | S | S | * | * | | | trans | -128.3 | 102.1 | 167.3 | -57.5 | -177.9 | 0 | 0 | 0 | 109.3 | K270 | I268-K270 HydrophobicContact CG2-CB 4.49Š|
| 269 | V | 43.2 | Very low | 42.6 | Very low | 138 Ų | 138 | 144.3 Ų | 144.3 | 84% | 0.836 | 80% | 0.801 | S | S | * | * | | | trans | -82.8 | 116.1 | 169.3 | -178.2 | 0 | 0 | 0 | 0 | 107.9 | V267 | V267-V269 HydrophobicContact CG1-CG2 4.14Š|
| 270 | K | 47.7 | Very low | 42.2 | Very low | 184 Ų | 184 | 146.2 Ų | 146.2 | 80% | 0.8 | 80% | 0.803 | S | S | * | * | | | trans | -125.4 | 112.9 | -178.8 | -157.2 | 158.6 | -173.3 | 171.6 | 0 | 112.1 | I268 | I268-K270 HydrophobicContact CG2-CB 4.49Š|
| 271 | R | 40.8 | Very low | 42.4 | Very low | 219 Ų | 219 | 145.2 Ų | 145.2 | 83% | 0.826 | 81% | 0.807 | S | S | * | * | | | trans | -60.4 | 137.1 | 171 | -75.9 | -179.8 | 167.1 | 108.9 | -6.8 | 110.7 | | |
| 272 | P | 56.4 | Low | 42 | Very low | 132 Ų | 132 | 144.3 Ų | 144.3 | 86% | 0.857 | 80% | 0.801 | S | S | * | * | | | trans | -69.8 | 134.9 | 142 | -9.7 | 27.5 | 0 | 0 | 0 | 108.6 | | |
| 273 | Q | 37.2 | Very low | 42.4 | Very low | 147 Ų | 147 | 138.9 Ų | 138.9 | 69% | 0.687 | 80% | 0.795 | S | S | * | * | | | trans | -141.5 | 147.2 | 177.8 | -150.2 | -159.2 | 4.1 | 0 | 0 | 108.9 | | |
| 274 | L | 41.3 | Very low | 42.1 | Very low | 145 Ų | 145 | 138.5 Ų | 138.5 | 76% | 0.759 | 79% | 0.793 | S | S | * | * | | | trans | 65.8 | 144.5 | 169 | -54.3 | 170.8 | 0 | 0 | 0 | 114.7 | | |
| 275 | C | 38.6 | Very low | 42.1 | Very low | 119 Ų | 119 | 141 Ų | 141 | 80% | 0.804 | 79% | 0.791 | S | S | * | * | | | cis | -130.5 | 161.5 | 7.9 | -77.6 | 0 | 0 | 0 | 0 | 111.6 | | |
| 276 | M | 35 | Very low | 42.1 | Very low | 166 Ų | 166 | 137.7 Ų | 137.7 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | | | trans | -109 | 158.4 | 159.8 | -67 | -162.4 | 74.4 | 0 | 0 | 110.4 | | |
| 277 | S | 41.6 | Very low | 42.3 | Very low | 123 Ų | 123 | 140.9 Ų | 140.9 | 86% | 0.86 | 79% | 0.787 | S | S | * | * | | | trans | -152.3 | 95.4 | 165.4 | -65.9 | 0 | 0 | 0 | 0 | 110 | | |
| 278 | T | 42.5 | Very low | 42.5 | Very low | 97 Ų | 97 | 142.2 Ų | 142.2 | 60% | 0.595 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -92.8 | 144.7 | 166.8 | 44.2 | 0 | 0 | 0 | 0 | 109.8 | | |
| 279 | P | 51.3 | Low | 42.1 | Very low | 129 Ų | 129 | 140 Ų | 140 | 84% | 0.838 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 129.1 | 161.1 | 31 | -30.8 | 0 | 0 | 0 | 109.3 | | |
| 280 | N | 37.6 | Very low | 41.7 | Very low | 136 Ų | 136 | 141.3 Ų | 141.3 | 73% | 0.727 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -85.1 | 140.2 | 172.6 | -75.4 | -56.9 | 0 | 0 | 0 | 110.6 | | |
| 281 | L | 46.3 | Very low | 41.1 | Very low | 185 Ų | 185 | 136.3 Ų | 136.3 | 97% | 0.969 | 79% | 0.79 | S | S | * | * | | | trans | -136.4 | 109.7 | 148 | -75.7 | -179.8 | 0 | 0 | 0 | 107.8 | | |
| 282 | S | 39.7 | Very low | 40.7 | Very low | 117 Ų | 117 | 134.2 Ų | 134.2 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | | | trans | -121.4 | 120 | -179.8 | 54.7 | 0 | 0 | 0 | 0 | 109.7 | | |
| 283 | G | 45.2 | Very low | 39.7 | Very low | 73 Ų | 73 | 130.9 Ų | 130.9 | 75% | 0.753 | 79% | 0.785 | S | S | * | * | | | trans | -139.9 | 131.5 | 172.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | | |
| 284 | P | 38.6 | Very low | 39.6 | Very low | 116 Ų | 116 | 128.7 Ų | 128.7 | 75% | 0.753 | 79% | 0.786 | S | S | * | * | | | trans | -101.3 | -179.7 | -172.6 | 40.6 | -37 | 0 | 0 | 0 | 113.7 | | |
| 285 | L | 41.3 | Very low | 39.5 | Very low | 152 Ų | 152 | 131.3 Ų | 131.3 | 80% | 0.796 | 79% | 0.791 | S | S | * | * | | | trans | 65.9 | 161.6 | -176.8 | -77.8 | 78.6 | 0 | 0 | 0 | 114.8 | | |
| 286 | E | 35.8 | Very low | 39.4 | Very low | 155 Ų | 155 | 130.5 Ų | 130.5 | 72% | 0.724 | 79% | 0.787 | S | S | * | * | | | cis | -175.1 | -179.6 | -33.3 | -173.6 | 156.1 | -167.5 | 0 | 0 | 105.4 | | |
| 287 | L | 47.3 | Very low | 39.8 | Very low | 157 Ų | 157 | 127.7 Ų | 127.7 | 82% | 0.822 | 78% | 0.781 | S | S | * | * | | | trans | 71.2 | 102.9 | 176.4 | -52.3 | 167.3 | 0 | 0 | 0 | 113.2 | | |
| 288 | D | 40.1 | Very low | 39.5 | Very low | 148 Ų | 148 | 128.1 Ų | 128.1 | 79% | 0.791 | 77% | 0.774 | S | S | * | * | | | | 95.2 | 170.1 | 54.8 | -166.1 | 33.8 | 0 | 0 | 0 | 112 | | |
| 289 | C | 35.7 | Very low | 39.6 | Very low | 102 Ų | 102 | 132 Ų | 132 | 69% | 0.689 | 79% | 0.785 | S | S | * | * | | | trans | -104.2 | 153 | -141.4 | -59.3 | 0 | 0 | 0 | 0 | 115.4 | | |
| 290 | N | 35 | Very low | 39 | Very low | 165 Ų | 165 | 131.8 Ų | 131.8 | 88% | 0.882 | 78% | 0.777 | S | S | * | * | | | trans | 52.5 | 85.1 | 136 | -176.4 | 69.7 | 0 | 0 | 0 | 117.5 | | |
| 291 | G | 35.2 | Very low | 39.4 | Very low | 79 Ų | 79 | 129.3 Ų | 129.3 | 81% | 0.814 | 77% | 0.77 | S | S | * | * | | | trans | -147.1 | 107.7 | 171.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 292 | N | 33.6 | Very low | 39.2 | Very low | 175 Ų | 175 | 126 Ų | 126 | 94% | 0.936 | 76% | 0.757 | S | S | * | * | | | trans | -85.1 | 116 | 167.4 | 175.3 | 28 | 0 | 0 | 0 | 109 | | |
| 293 | G | 35.9 | Very low | 39.4 | Very low | 63 Ų | 63 | 127.1 Ų | 127.1 | 65% | 0.649 | 75% | 0.754 | S | S | * | * | | | trans | -160.6 | 49.4 | -161.2 | 0 | 0 | 0 | 0 | 0 | 118.2 | | |
| 294 | S | 35.2 | Very low | 39.3 | Very low | 101 Ų | 101 | 126.4 Ų | 126.4 | 71% | 0.706 | 75% | 0.747 | S | S | * | * | | | trans | 37.5 | 131.9 | 145.1 | 68.3 | 0 | 0 | 0 | 0 | 122.9 | | |
| 295 | K | 37.9 | Very low | 39.6 | Very low | 200 Ų | 200 | 128.1 Ų | 128.1 | 87% | 0.87 | 75% | 0.745 | S | S | * | * | | | trans | 95.8 | 136.6 | 155.1 | -59 | -176.6 | 179 | -179.9 | 0 | 119.2 | | |
| 296 | S | 36.9 | Very low | 39.1 | Very low | 102 Ų | 102 | 130.7 Ų | 130.7 | 71% | 0.713 | 75% | 0.745 | S | S | * | * | | | trans | -62.1 | 165.4 | 155.9 | 55.6 | 0 | 0 | 0 | 0 | 111.1 | | |
| 297 | P | 43.8 | Very low | 39.4 | Very low | 106 Ų | 106 | 127.3 Ų | 127.3 | 69% | 0.688 | 74% | 0.744 | S | S | * | * | | | cis | -142.3 | 164.6 | 43.8 | 39.7 | -19.4 | 0 | 0 | 0 | 118.7 | | |
| 298 | D | 35.9 | Very low | 38.8 | Very low | 133 Ų | 133 | 125.9 Ų | 125.9 | 71% | 0.711 | 74% | 0.742 | S | S | * | * | | | | 38.5 | 155.9 | 126.9 | -41.6 | -27.6 | 0 | 0 | 0 | 122.4 | | |
| 299 | E | 43.3 | Very low | 39 | Very low | 177 Ų | 177 | 126.6 Ų | 126.6 | 83% | 0.827 | 75% | 0.745 | S | S | * | * | | | trans | 64.5 | 154.5 | 173.5 | -41.6 | -55.7 | 72.4 | 0 | 0 | 117.7 | | |
| 300 | D | 39.5 | Very low | 39.1 | Very low | 126 Ų | 126 | 128.7 Ų | 128.7 | 67% | 0.674 | 75% | 0.749 | S | S | * | * | | | cis | -173.9 | 156.2 | -34.8 | 175.7 | 41.3 | 0 | 0 | 0 | 106.5 | | |
| 301 | S | 44.9 | Very low | 39.5 | Very low | 83 Ų | 83 | 129.2 Ų | 129.2 | 58% | 0.58 | 75% | 0.751 | S | S | * | * | | | trans | 60.4 | 164.9 | 156.9 | -77.3 | 0 | 0 | 0 | 0 | 119.9 | | |
| 302 | T | 43.2 | Very low | 39.6 | Very low | 115 Ų | 115 | 134.5 Ų | 134.5 | 71% | 0.706 | 75% | 0.751 | S | S | * | * | | | cis | -164.7 | 160.2 | -37.3 | 30.3 | 0 | 0 | 0 | 0 | 107.5 | | |
| 303 | D | 42.7 | Very low | 40.6 | Very low | 141 Ų | 141 | 131 Ų | 131 | 75% | 0.754 | 74% | 0.738 | S | S | * | * | | | trans | 61 | 151.7 | 162.5 | -80.5 | -4.2 | 0 | 0 | 0 | 118.1 | | |
| 304 | G | 44.7 | Very low | 41.1 | Very low | 58 Ų | 58 | 133.2 Ų | 133.2 | 60% | 0.598 | 74% | 0.742 | S | S | * | * | | | cis | -150.9 | -163.4 | -6.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 305 | H | 42.9 | Very low | 41.6 | Very low | 152 Ų | 152 | 136.3 Ų | 136.3 | 70% | 0.704 | 75% | 0.748 | S | S | * | * | | | cis | -155.5 | 152.1 | 9.9 | -82.8 | -80.4 | 0 | 0 | 0 | 110.7 | | |
| 306 | Y | 32.6 | Very low | 41.9 | Very low | 206 Ų | 206 | 131.4 Ų | 131.4 | 81% | 0.808 | 75% | 0.745 | S | S | * | * | | | trans | 20.5 | 145.5 | 138.2 | -57.4 | -101.2 | 0 | 0 | 0 | 120.2 | | |
| 307 | A | 40.8 | Very low | 42 | Very low | 85 Ų | 85 | 130.1 Ų | 130.1 | 70% | 0.702 | 75% | 0.748 | S | S | * | * | | | cis | -155 | 157.8 | 7.1 | 0 | 0 | 0 | 0 | 0 | 108.2 | | |
| 308 | T | 34.7 | Very low | 42 | Very low | 126 Ų | 126 | 128.9 Ų | 128.9 | 77% | 0.773 | 75% | 0.754 | S | S | * | * | | | | 58.5 | 82.9 | 57.9 | -51.8 | 0 | 0 | 0 | 0 | 116.2 | | |
| 309 | L | 45.3 | Very low | 42.5 | Very low | 164 Ų | 164 | 128.4 Ų | 128.4 | 86% | 0.859 | 76% | 0.759 | S | S | * | * | | | trans | -157.7 | 120.2 | 142.8 | -71.2 | -172.5 | 0 | 0 | 0 | 104.5 | | |
| 310 | D | 36.2 | Very low | 42.3 | Very low | 145 Ų | 145 | 127.1 Ų | 127.1 | 78% | 0.775 | 75% | 0.753 | S | S | * | * | | | cis | 62.7 | 99.7 | 46 | -127.6 | -15.5 | 0 | 0 | 0 | 113.7 | | |
| 311 | L | 44.6 | Very low | 42.8 | Very low | 176 Ų | 176 | 127 Ų | 127 | 92% | 0.921 | 76% | 0.759 | S | S | * | * | | | trans | -176.5 | 157.8 | 142.6 | -99.4 | 163.3 | 0 | 0 | 0 | 113.7 | | |
| 312 | K | 37.2 | Very low | 43 | Very low | 190 Ų | 190 | 127.3 Ų | 127.3 | 83% | 0.826 | 76% | 0.758 | S | S | * | * | | | trans | -88.2 | 149.2 | -162 | -165.9 | 78.5 | 168 | -170.5 | 0 | 114.3 | | |
| 313 | P | 53.9 | Low | 43.2 | Very low | 101 Ų | 101 | 127.8 Ų | 127.8 | 66% | 0.656 | 76% | 0.762 | S | S | * | * | | | trans | -105.7 | 168.9 | 179 | 40.4 | -36.7 | 0 | 0 | 0 | 115.5 | | |
| 314 | P | 47.3 | Very low | 43.2 | Very low | 111 Ų | 111 | 131.5 Ų | 131.5 | 72% | 0.721 | 77% | 0.766 | S | S | * | * | | | trans | -99.2 | 139.6 | 145.8 | 2.4 | 19.1 | 0 | 0 | 0 | 110.8 | | |
| 315 | I | 46.1 | Very low | 42.9 | Very low | 165 Ų | 165 | 138.5 Ų | 138.5 | 85% | 0.846 | 78% | 0.78 | S | S | * | * | | | | 64.9 | 120.5 | 73.3 | -58.5 | 164.3 | 0 | 0 | 0 | 110.9 | | |
| 316 | A | 43.5 | Very low | 43 | Very low | 97 Ų | 97 | 142.4 Ų | 142.4 | 80% | 0.802 | 79% | 0.788 | S | S | * | * | | | cis | -153 | 179.2 | 7.2 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 317 | G | 38.4 | Very low | 43.2 | Very low | 76 Ų | 76 | 139.8 Ų | 139.8 | 78% | 0.784 | 79% | 0.787 | S | S | * | * | | | cis | 160.9 | 114.6 | -12.7 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 318 | G | 43.8 | Very low | 43.4 | Very low | 79 Ų | 79 | 142.8 Ų | 142.8 | 81% | 0.814 | 79% | 0.791 | S | S | * | * | | | trans | 78.8 | 174.9 | 164 | 0 | 0 | 0 | 0 | 0 | 118 | | |
| 319 | P | 47.9 | Very low | 43.8 | Very low | 124 Ų | 124 | 144.9 Ų | 144.9 | 81% | 0.805 | 79% | 0.792 | S | S | * | * | | | cis | -125.1 | 173.9 | -3.5 | 41 | -26.9 | 0 | 0 | 0 | 116.1 | | |
| 320 | E | 39 | Very low | 43.8 | Very low | 149 Ų | 149 | 144.7 Ų | 144.7 | 70% | 0.696 | 79% | 0.79 | S | S | * | * | | | trans | -80.4 | 140.9 | 179.9 | 169.8 | -167 | 174.1 | 0 | 0 | 114.3 | T322 | E320-T322 WeakPolarHBondContact OE1-CB 3.42Å; E320-T322 PolarHBondContact OE1-OG1 2.92Å |
| 321 | P | 50.2 | Low | 44.2 | Very low | 125 Ų | 125 | 146.9 Ų | 146.9 | 81% | 0.812 | 79% | 0.793 | S | S | * | * | | | trans | -99.6 | 80 | 166.6 | 36.3 | -31.6 | 0 | 0 | 0 | 113.1 | P323 | P321-P323 WeakPolarHBondContact O-CD 3.48Š|
| 322 | T | 48 | Very low | 44.1 | Very low | 89 Ų | 89 | 148.1 Ų | 148.1 | 55% | 0.546 | 79% | 0.791 | S | S | . | * | | | trans | -99.9 | 118.5 | 169.8 | -88.9 | 0 | 0 | 0 | 0 | 111.9 | E320 R324 | E320-T322 WeakPolarHBondContact OE1-CB 3.42Å; E320-T322 PolarHBondContact OE1-OG1 2.92Å; T322-R324 HydrophobicContact CG2-CB 3.98Å |
| 323 | P | 46.7 | Very low | 44.4 | Very low | 124 Ų | 124 | 148.3 Ų | 148.3 | 81% | 0.805 | 79% | 0.791 | S | S | * | * | | | trans | -119.1 | 73.2 | 154.4 | 34.9 | -24.7 | 0 | 0 | 0 | 111.4 | P321 | P321-P323 WeakPolarHBondContact O-CD 3.48Š|
| 324 | R | 43.5 | Very low | 43.8 | Very low | 220 Ų | 220 | 149.7 Ų | 149.7 | 83% | 0.83 | 80% | 0.798 | S | S | * | * | | | | 16.1 | 118.5 | 113.2 | -161.7 | 171 | -170.3 | 158.2 | 1.1 | 115.7 | T322 R326 | T322-R324 HydrophobicContact CG2-CB 3.98Å; R324-R326 PolarHBondContact O-N 2.98Å |
| 325 | K | 38.7 | Very low | 43.7 | Very low | 204 Ų | 204 | 148.4 Ų | 148.4 | 89% | 0.887 | 80% | 0.797 | S | S | * | * | | | trans | -46.9 | 124.4 | -178.4 | -58.6 | 170.1 | -176.3 | 170.5 | 0 | 114.5 | | |
| 326 | R | 44.5 | Very low | 43.7 | Very low | 234 Ų | 234 | 146 Ų | 146 | 88% | 0.883 | 79% | 0.792 | S | S | * | * | | | trans | -110.3 | 116.4 | 142.3 | -56.9 | 173.5 | 99.3 | 152.4 | 2.4 | 104.2 | R324 | R324-R326 PolarHBondContact O-N 2.98Š|
| 327 | L | 37.2 | Very low | 44 | Very low | 151 Ų | 151 | 145.5 Ų | 145.5 | 79% | 0.791 | 79% | 0.788 | S | S | * | * | | | cis | 56.9 | 46.4 | 47.4 | -149.9 | 83.6 | 0 | 0 | 0 | 113.4 | | |
| 328 | L | 45.1 | Very low | 44.4 | Very low | 149 Ų | 149 | 147.7 Ų | 147.7 | 78% | 0.78 | 79% | 0.789 | S | S | * | * | | | trans | -97.1 | 112.9 | 157 | -76 | 173.9 | 0 | 0 | 0 | 109.6 | I330 | L328-I330 PolarHBondContact O-N 3.02Å; L328-I330 VanDerWaalsContact O-N 3.16Å |
| 329 | Q | 43.7 | Very low | 45.2 | Very low | 169 Ų | 169 | 149.3 Ų | 149.3 | 79% | 0.79 | 79% | 0.785 | S | S | * | * | | | trans | -78.3 | 89.9 | 172.6 | -62.4 | 177.1 | 7.7 | 0 | 0 | 108.7 | K331 | Q329-K331 PolarHBondContact O-N 3.14Š|
| 330 | I | 44 | Very low | 45.2 | Very low | 160 Ų | 160 | 149 Ų | 149 | 82% | 0.821 | 78% | 0.783 | S | S | * | * | | | trans | -75.5 | 78.1 | 177.5 | -41.7 | -179.1 | 0 | 0 | 0 | 109.8 | L328 K332 | L328-I330 PolarHBondContact O-N 3.02Å; L328-I330 VanDerWaalsContact O-N 3.16Å; I330-K332 VanDerWaalsContact C-N 3.26Å; I330-K332 PolarHBondContact O-N 2.82Å |
| 331 | K | 44.2 | Very low | 45.2 | Very low | 191 Ų | 191 | 148.2 Ų | 148.2 | 83% | 0.83 | 78% | 0.783 | S | S | * | * | | | trans | -69.9 | 74.5 | 176.1 | -175.1 | -176.2 | 177.6 | -176.3 | 0 | 109.8 | Q329 K333 | Q329-K331 PolarHBondContact O-N 3.14Å; K331-K333 PolarHBondContact O-N 3.28Å |
| 332 | K | 42.5 | Very low | 44.9 | Very low | 203 Ų | 203 | 150.9 Ų | 150.9 | 88% | 0.883 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 129.9 | 176.3 | -162.8 | 166.6 | -174.8 | 174.9 | 0 | 109.2 | I330 | I330-K332 VanDerWaalsContact C-N 3.26Å; I330-K332 PolarHBondContact O-N 2.82Å |
| 333 | K | 44.4 | Very low | 45 | Very low | 193 Ų | 193 | 154.3 Ų | 154.3 | 84% | 0.839 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 134.2 | -160.4 | -64 | 178.9 | 177.7 | 179.2 | 0 | 113 | K331 | K331-K333 PolarHBondContact O-N 3.28Š|
| 334 | T | 40.8 | Very low | 44.7 | Very low | 131 Ų | 131 | 154.6 Ų | 154.6 | 80% | 0.804 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 133.7 | 142.1 | -61.2 | 0 | 0 | 0 | 0 | 107.3 | | |
| 335 | A | 45 | Very low | 44.5 | Very low | 84 Ų | 84 | 147.8 Ų | 147.8 | 69% | 0.694 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -74.1 | 133.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 336 | P | 45.6 | Very low | 44.8 | Very low | 114 Ų | 114 | 141.3 Ų | 141.3 | 74% | 0.74 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 167.5 | 145.2 | 34.1 | -31.7 | 0 | 0 | 0 | 109.8 | | |
| 337 | A | 50.5 | Low | 44.9 | Very low | 87 Ų | 87 | 136.7 Ų | 136.7 | 72% | 0.719 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 157.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 338 | P | 46.6 | Very low | 45.2 | Very low | 122 Ų | 122 | 135.6 Ų | 135.6 | 79% | 0.792 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 140.2 | -178.9 | 27 | -35.6 | 0 | 0 | 0 | 112.5 | | |
| 339 | P | 60.9 | Low | 45.7 | Very low | 113 Ų | 113 | 136 Ų | 136 | 73% | 0.734 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -74.3 | 160.7 | 160.1 | 34.5 | -34 | 0 | 0 | 0 | 110.7 | | |
| 340 | P | 49 | Very low | 45.8 | Very low | 118 Ų | 118 | 132.4 Ų | 132.4 | 77% | 0.766 | 77% | 0.769 | S | S | * | * | | | trans | -73.3 | 179.1 | 172.3 | 33.3 | -36.5 | 0 | 0 | 0 | 112.6 | | |
| 341 | D | 37.7 | Very low | 45.5 | Very low | 131 Ų | 131 | 132.9 Ų | 132.9 | 70% | 0.701 | 77% | 0.772 | S | S | * | * | | | trans | -65.2 | -178.1 | -169.3 | -55.1 | -92.4 | 0 | 0 | 0 | 116.9 | | |
| 342 | F | 44.5 | Very low | 45.4 | Very low | 181 Ų | 181 | 128.2 Ų | 128.2 | 79% | 0.794 | 77% | 0.769 | S | S | * | * | | | trans | 77.5 | 147.4 | 169.7 | -45.7 | -71.9 | 0 | 0 | 0 | 116.5 | | |
| 343 | Q | 49.1 | Very low | 45.4 | Very low | 162 Ų | 162 | 124.4 Ų | 124.4 | 76% | 0.757 | 77% | 0.768 | S | S | * | * | | | cis | -167.2 | 142.6 | -30.9 | -119.9 | 176.5 | 18.5 | 0 | 0 | 107.2 | | |
| 344 | S | 41.3 | Very low | 45.3 | Very low | 129 Ų | 129 | 122.9 Ų | 122.9 | 90% | 0.902 | 77% | 0.769 | S | S | * | * | | | trans | 59.9 | 163.5 | 175 | -60.9 | 0 | 0 | 0 | 0 | 115.7 | | |
| 345 | G | 40.2 | Very low | 45.5 | Very low | 78 Ų | 78 | 122.3 Ų | 122.3 | 80% | 0.804 | 77% | 0.767 | S | S | * | * | | | cis | 149.9 | 137 | -7.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 346 | G | 43.9 | Very low | 45.3 | Very low | 67 Ų | 67 | 126.6 Ų | 126.6 | 69% | 0.691 | 77% | 0.773 | S | S | * | * | | | trans | 111.1 | 95.8 | 170.4 | 0 | 0 | 0 | 0 | 0 | 117.4 | | |
| 347 | D | 47.3 | Very low | 45.2 | Very low | 137 Ų | 137 | 126.2 Ų | 126.2 | 73% | 0.733 | 77% | 0.771 | S | S | * | * | | | | 63 | 113 | 103.6 | -72.9 | 45.7 | 0 | 0 | 0 | 123.4 | | |
| 348 | N | 43.7 | Very low | 45 | Very low | 128 Ų | 128 | 128.7 Ų | 128.7 | 68% | 0.684 | 78% | 0.776 | S | S | * | * | | | | 104.9 | 140.1 | 113.5 | -67.2 | -13.8 | 0 | 0 | 0 | 124.5 | | |
| 349 | I | 54.2 | Low | 44.4 | Very low | 157 Ų | 157 | 128.8 Ų | 128.8 | 81% | 0.805 | 78% | 0.775 | S | S | * | * | | | trans | 77 | 123.3 | 147.8 | 58.9 | 163.1 | 0 | 0 | 0 | 126.1 | | |
| 350 | S | 47.2 | Very low | 43.5 | Very low | 95 Ų | 95 | 129 Ų | 129 | 66% | 0.664 | 78% | 0.776 | S | S | * | * | | | | 81.2 | 101.6 | 128.5 | -64.8 | 0 | 0 | 0 | 0 | 124.5 | | |
| 351 | L | 37.4 | Very low | 42.9 | Very low | 169 Ų | 169 | 129.3 Ų | 129.3 | 89% | 0.885 | 78% | 0.776 | S | S | * | * | | | | 34.6 | 128 | 112 | -56.8 | 172.6 | 0 | 0 | 0 | 120.9 | | |
| 352 | A | 41.7 | Very low | 43.1 | Very low | 93 Ų | 93 | 128.7 Ų | 128.7 | 77% | 0.769 | 78% | 0.779 | S | S | * | * | | | | -179.1 | 137.7 | 122.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 353 | S | 41.7 | Very low | 43 | Very low | 123 Ų | 123 | 126.6 Ų | 126.6 | 86% | 0.86 | 78% | 0.776 | S | S | * | * | | | trans | 71.2 | 141 | 140 | -60.3 | 0 | 0 | 0 | 0 | 126.2 | | |
| 354 | L | 44.2 | Very low | 42.9 | Very low | 162 Ų | 162 | 125.8 Ų | 125.8 | 85% | 0.848 | 78% | 0.776 | S | S | * | * | | | trans | -74.3 | -177.7 | 164.7 | -111.9 | 66.5 | 0 | 0 | 0 | 112 | | |
| 355 | P | 44.6 | Very low | 42.9 | Very low | 118 Ų | 118 | 125.7 Ų | 125.7 | 77% | 0.766 | 77% | 0.772 | S | S | * | * | | | cis | -142.2 | -177 | 25.8 | 41.4 | -19.9 | 0 | 0 | 0 | 118.9 | | |
| 356 | E | 39.2 | Very low | 43 | Very low | 174 Ų | 174 | 130.6 Ų | 130.6 | 81% | 0.813 | 77% | 0.774 | S | S | * | * | | | trans | -77.4 | -175.1 | 163.4 | -67.3 | -168.6 | 141.5 | 0 | 0 | 111.5 | | |
| 357 | P | 44.7 | Very low | 42.9 | Very low | 107 Ų | 107 | 133.2 Ų | 133.2 | 70% | 0.695 | 78% | 0.779 | S | S | * | * | | | cis | -151.3 | -159.4 | 22.8 | 36.3 | -7.9 | 0 | 0 | 0 | 118.9 | | |
| 358 | V | 45.4 | Very low | 42.6 | Very low | 138 Ų | 138 | 130.8 Ų | 130.8 | 84% | 0.836 | 78% | 0.778 | S | S | * | * | | | trans | 87.9 | 137.4 | 159.8 | -54.1 | 0 | 0 | 0 | 0 | 124 | | |
| 359 | T | 34.9 | Very low | 42.6 | Very low | 125 Ų | 125 | 129.8 Ų | 129.8 | 77% | 0.767 | 78% | 0.778 | S | S | * | * | | | trans | -92.2 | -175.9 | 171.7 | 23.4 | 0 | 0 | 0 | 0 | 111.6 | | |
| 360 | P | 40.9 | Very low | 41.8 | Very low | 118 Ų | 118 | 132.5 Ų | 132.5 | 77% | 0.766 | 78% | 0.779 | S | S | * | * | | | cis | -142 | -160.9 | 19.7 | 42.5 | -19.4 | 0 | 0 | 0 | 117.9 | | |
| 361 | T | 37.5 | Very low | 41.4 | Very low | 123 Ų | 123 | 135 Ų | 135 | 76% | 0.755 | 78% | 0.783 | S | S | * | * | | | trans | -67.1 | -179.6 | 176.3 | 33.2 | 0 | 0 | 0 | 0 | 115.8 | | |
| 362 | P | 42.1 | Very low | 41.5 | Very low | 119 Ų | 119 | 132.7 Ų | 132.7 | 77% | 0.773 | 78% | 0.776 | S | S | * | * | | | cis | -136.1 | -162.9 | 5 | 39.5 | -18.3 | 0 | 0 | 0 | 116.2 | | |
| 363 | N | 42.4 | Very low | 41.6 | Very low | 136 Ų | 136 | 133.8 Ų | 133.8 | 73% | 0.727 | 77% | 0.773 | S | S | * | * | | | trans | 129.7 | 110.4 | 135.7 | -152 | 29.1 | 0 | 0 | 0 | 120.2 | | |
| 364 | I | 47 | Very low | 41.9 | Very low | 146 Ų | 146 | 133.6 Ų | 133.6 | 75% | 0.749 | 77% | 0.769 | S | S | * | * | | | trans | 24.1 | 132 | 135.9 | -58.8 | 177.5 | 0 | 0 | 0 | 119.3 | | |
| 365 | P | 41.8 | Very low | 42 | Very low | 127 Ų | 127 | 133.4 Ų | 133.4 | 83% | 0.825 | 77% | 0.768 | S | S | * | * | | | | -151.7 | -176.7 | 70.9 | 40 | -17.3 | 0 | 0 | 0 | 121 | | |
| 366 | Q | 41 | Very low | 41.8 | Very low | 180 Ų | 180 | 132.8 Ų | 132.8 | 84% | 0.841 | 76% | 0.764 | S | S | * | * | | | trans | -64.4 | 177.4 | 179.2 | -106.9 | -178.1 | -8 | 0 | 0 | 116 | | |
| 367 | P | 41.3 | Very low | 41.8 | Very low | 123 Ų | 123 | 131.9 Ų | 131.9 | 80% | 0.799 | 76% | 0.763 | S | S | * | * | | | cis | -140.1 | -169.2 | 34.8 | 40.8 | -18.6 | 0 | 0 | 0 | 118.4 | | |
| 368 | A | 42.2 | Very low | 41.5 | Very low | 85 Ų | 85 | 131.4 Ų | 131.4 | 70% | 0.702 | 77% | 0.768 | S | S | * | * | | | trans | -109 | -156.3 | -172.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 369 | P | 43.9 | Very low | 41.4 | Very low | 108 Ų | 108 | 129.7 Ų | 129.7 | 70% | 0.701 | 76% | 0.76 | S | S | * | * | | | cis | -150.8 | -178.2 | 16.2 | 47.3 | -26.2 | 0 | 0 | 0 | 120.6 | | |
| 370 | R | 37.6 | Very low | 41.5 | Very low | 214 Ų | 214 | 129.8 Ų | 129.8 | 81% | 0.808 | 76% | 0.76 | S | S | * | * | | | trans | 80.1 | 127 | 142.6 | -84.8 | 170.2 | -179.1 | -176.7 | 0.7 | 124.5 | | |
| 371 | I | 38.2 | Very low | 41.4 | Very low | 147 Ų | 147 | 128.2 Ų | 128.2 | 75% | 0.754 | 76% | 0.757 | S | S | * | * | | | | 72.7 | 141.6 | 130 | -69.6 | 170.2 | 0 | 0 | 0 | 118.9 | | |
| 372 | T | 38.8 | Very low | 41.3 | Very low | 120 Ų | 120 | 129.6 Ų | 129.6 | 74% | 0.736 | 76% | 0.76 | S | S | * | * | | | cis | -164 | 160.2 | -21.4 | -171.6 | 0 | 0 | 0 | 0 | 110.4 | | |
| 373 | T | 44 | Very low | 41.6 | Very low | 116 Ų | 116 | 129.7 Ų | 129.7 | 71% | 0.712 | 76% | 0.761 | S | S | * | * | | | trans | -82.6 | 164 | 162.3 | -30.2 | 0 | 0 | 0 | 0 | 110.7 | | |
| 374 | P | 47.2 | Very low | 41.6 | Very low | 119 Ų | 119 | 128 Ų | 128 | 77% | 0.773 | 76% | 0.757 | S | S | * | * | | | | -141.6 | 130.5 | 121.6 | 34.6 | -20.3 | 0 | 0 | 0 | 115.5 | | |
| 375 | L | 46.9 | Very low | 41 | Very low | 159 Ų | 159 | 128.9 Ų | 128.9 | 83% | 0.832 | 76% | 0.762 | S | S | * | * | | | trans | -73.3 | 164.4 | 140.2 | -79.6 | 144.2 | 0 | 0 | 0 | 108.2 | | |
| 376 | P | 40.3 | Very low | 40.6 | Very low | 105 Ų | 105 | 126.6 Ų | 126.6 | 68% | 0.682 | 75% | 0.754 | S | S | * | * | | | | -155.3 | 166.2 | 105.7 | 39.6 | -22 | 0 | 0 | 0 | 117.7 | | |
| 377 | I | 39.9 | Very low | 40.1 | Very low | 155 Ų | 155 | 126.8 Ų | 126.8 | 80% | 0.795 | 76% | 0.755 | S | S | * | * | | | trans | 68.3 | 106 | 149.7 | -67 | 154.5 | 0 | 0 | 0 | 118.5 | | |
| 378 | A | 37.7 | Very low | 39.8 | Very low | 96 Ų | 96 | 127.4 Ų | 127.4 | 79% | 0.793 | 76% | 0.756 | S | S | * | * | | | trans | -95.8 | 158.4 | 138 | 0 | 0 | 0 | 0 | 0 | 108.4 | | |
| 379 | P | 44 | Very low | 39.3 | Very low | 103 Ų | 103 | 131 Ų | 131 | 67% | 0.669 | 76% | 0.764 | S | S | * | * | | | | -146.3 | 168 | 119.5 | 40.9 | -27.3 | 0 | 0 | 0 | 110.9 | | |
| 380 | T | 36.3 | Very low | 38.9 | Very low | 127 Ų | 127 | 129.5 Ų | 129.5 | 78% | 0.779 | 77% | 0.767 | S | S | * | * | | | cis | 171.5 | 162.9 | -6.1 | 34 | 0 | 0 | 0 | 0 | 105.7 | | |
| 381 | A | 39.3 | Very low | 38.3 | Very low | 84 Ų | 84 | 127.6 Ų | 127.6 | 69% | 0.694 | 77% | 0.773 | S | S | * | * | | | trans | 66.2 | 126.4 | 165.2 | 0 | 0 | 0 | 0 | 0 | 117.2 | | |
| 382 | N | 35.6 | Very low | 37.9 | Very low | 153 Ų | 153 | 123.8 Ų | 123.8 | 82% | 0.818 | 77% | 0.771 | S | S | * | * | | | cis | 70 | 145.1 | 43.2 | -58.7 | -7.3 | 0 | 0 | 0 | 113.6 | | |
| 383 | P | 48 | Very low | 37.3 | Very low | 121 Ų | 121 | 126.4 Ų | 126.4 | 79% | 0.786 | 78% | 0.78 | S | S | * | * | | | | -123.2 | -134.7 | -64.1 | 31.9 | -10.3 | 0 | 0 | 0 | 106.7 | | |
| 384 | P | 42.8 | Very low | 36.7 | Very low | 100 Ų | 100 | 124 Ų | 124 | 65% | 0.649 | 78% | 0.779 | S | S | * | * | | | cis | -136.8 | 179.7 | -21.1 | 41.3 | -23.4 | 0 | 0 | 0 | 116.3 | | |
| 385 | L | 34.2 | Very low | 36 | Very low | 165 Ų | 165 | 123.8 Ų | 123.8 | 86% | 0.864 | 78% | 0.78 | S | S | * | * | | | trans | 66.9 | 165.2 | 143.8 | -81.5 | 162.4 | 0 | 0 | 0 | 121.9 | | |
| 386 | A | 33.9 | Very low | 35.8 | Very low | 79 Ų | 79 | 120.9 Ų | 120.9 | 65% | 0.653 | 77% | 0.771 | S | S | * | * | | | trans | 59.2 | 110.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 116.8 | | |
| 387 | Q | 30.9 | Very low | 35.4 | Very low | 183 Ų | 183 | 123 Ų | 123 | 86% | 0.855 | 78% | 0.776 | S | S | * | * | | | | 77.7 | 150.2 | 63.2 | -72.1 | -179 | -42.4 | 0 | 0 | 114.7 | | |
| 388 | V | 34.8 | Very low | 35.2 | Very low | 136 Ų | 136 | 119.2 Ų | 119.2 | 82% | 0.824 | 78% | 0.775 | S | S | * | * | | | trans | 68.7 | 101.8 | 179 | -170.2 | 0 | 0 | 0 | 0 | 112.9 | | |
| 389 | N | 31.1 | Very low | 34.8 | Very low | 162 Ų | 162 | 121.2 Ų | 121.2 | 87% | 0.866 | 77% | 0.772 | S | S | * | * | | | cis | 68.8 | 85.5 | 49.3 | -162.7 | 57.3 | 0 | 0 | 0 | 113.6 | | |
| 390 | G | 34.9 | Very low | 34 | Very low | 75 Ų | 75 | 122.8 Ų | 122.8 | 77% | 0.773 | 78% | 0.78 | S | S | * | * | | | trans | -174.1 | 136.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 391 | N | 26 | Very low | 33.8 | Very low | 174 Ų | 174 | 122 Ų | 122 | 93% | 0.93 | 78% | 0.78 | S | S | * | * | | | trans | -65.6 | 149.6 | -172.5 | -64.2 | -18.6 | 0 | 0 | 0 | 114.7 | | |
| 392 | G | 28.8 | Very low | 33.7 | Very low | 68 Ų | 68 | 127 Ų | 127 | 70% | 0.701 | 79% | 0.786 | S | S | * | * | | | | 111.5 | 123 | 127.1 | 0 | 0 | 0 | 0 | 0 | 119.2 | | |
| 393 | N | 27 | Very low | 34 | Very low | 174 Ų | 174 | 125.2 Ų | 125.2 | 93% | 0.93 | 78% | 0.78 | S | S | * | * | | | trans | 37.8 | 93.2 | 145.6 | -61.7 | -3.5 | 0 | 0 | 0 | 119.6 | | |
| 394 | G | 30.2 | Very low | 34 | Very low | 66 Ų | 66 | 126.2 Ų | 126.2 | 68% | 0.68 | 78% | 0.778 | S | S | * | * | | | trans | 177 | 119.1 | 164.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 395 | S | 32.9 | Very low | 34.3 | Very low | 115 Ų | 115 | 127.4 Ų | 127.4 | 80% | 0.804 | 78% | 0.778 | S | S | * | * | | | cis | -23.6 | 125.2 | 8.6 | -162.6 | 0 | 0 | 0 | 0 | 116.8 | | |
| 396 | P | 43.3 | Very low | 34.7 | Very low | 98 Ų | 98 | 124.1 Ų | 124.1 | 64% | 0.636 | 76% | 0.761 | S | S | * | * | | | cis | -69.7 | 163.5 | 15.6 | 33 | -39.8 | 0 | 0 | 0 | 113.8 | | |
| 397 | N | 32.6 | Very low | 35.3 | Very low | 150 Ų | 150 | 129.8 Ų | 129.8 | 80% | 0.802 | 77% | 0.766 | S | S | * | * | | | cis | -131.4 | 162.8 | 23.8 | -75.6 | -82.5 | 0 | 0 | 0 | 113.9 | | |
| 398 | G | 34.8 | Very low | 35.6 | Very low | 74 Ų | 74 | 127.2 Ų | 127.2 | 76% | 0.763 | 76% | 0.763 | S | S | * | * | | | trans | -166 | 33.5 | -175.5 | 0 | 0 | 0 | 0 | 0 | 116.8 | | |
| 399 | N | 29.1 | Very low | 36 | Very low | 139 Ų | 139 | 125.6 Ų | 125.6 | 74% | 0.743 | 76% | 0.755 | S | S | * | * | | | trans | 41.5 | 98.7 | 156.4 | -60.9 | 2.7 | 0 | 0 | 0 | 120.8 | | |
| 400 | V | 26.8 | Very low | 36.7 | Very low | 136 Ų | 136 | 123.8 Ų | 123.8 | 82% | 0.824 | 75% | 0.75 | S | S | * | * | | | trans | 47.3 | 137.5 | 141.3 | -67.4 | 0 | 0 | 0 | 0 | 123.2 | | |
| 401 | S | 32.1 | Very low | 37.2 | Very low | 111 Ų | 111 | 126 Ų | 126 | 78% | 0.776 | 75% | 0.751 | S | S | * | * | | | trans | 75.9 | 125.4 | 162.3 | -55.9 | 0 | 0 | 0 | 0 | 117.1 | | |
| 402 | K | 38.7 | Very low | 38.1 | Very low | 189 Ų | 189 | 125.9 Ų | 125.9 | 82% | 0.822 | 75% | 0.745 | S | S | * | * | | | cis | -126.9 | 145.3 | -3.7 | -64.4 | -169.4 | 176.3 | -176.5 | 0 | 107.9 | | |
| 403 | V | 42 | Very low | 39 | Very low | 115 Ų | 115 | 126.1 Ų | 126.1 | 70% | 0.697 | 73% | 0.734 | S | S | * | * | | | | 39 | 110.1 | 81.3 | -162.5 | 0 | 0 | 0 | 0 | 109.7 | | |
| 404 | L | 47.6 | Very low | 39.7 | Very low | 141 Ų | 141 | 128.4 Ų | 128.4 | 74% | 0.738 | 73% | 0.729 | S | S | * | * | | | | -144.8 | 144.2 | 67.9 | -70.6 | 147.8 | 0 | 0 | 0 | 111.7 | | |
| 405 | L | 49.3 | Very low | 40 | Very low | 125 Ų | 125 | 129.5 Ų | 129.5 | 65% | 0.654 | 73% | 0.727 | S | S | * | * | | | | 36.7 | 141.1 | 121.2 | -41 | 179 | 0 | 0 | 0 | 118.6 | | |
| 406 | N | 43 | Very low | 40.3 | Very low | 96 Ų | 96 | 132.1 Ų | 132.1 | 51% | 0.513 | 73% | 0.731 | S | S | . | * | | | cis | -174.9 | 153.4 | -5.5 | -111.8 | -13.8 | 0 | 0 | 0 | 109.4 | | |
| 407 | R | 45.1 | Very low | 39.7 | Very low | 199 Ų | 199 | 131 Ų | 131 | 75% | 0.751 | 74% | 0.736 | S | S | * | * | | | | 40.6 | 120.2 | 129.7 | -53.7 | 168 | -173.8 | 158.7 | -0.1 | 120.3 | | |
| 408 | T | 38 | Very low | 40.1 | Very low | 128 Ų | 128 | 129 Ų | 129 | 79% | 0.785 | 74% | 0.735 | S | S | * | * | | | | 55.9 | 138.6 | 109.8 | -38.9 | 0 | 0 | 0 | 0 | 119.7 | | |
| 409 | P | 42.6 | Very low | 40.3 | Very low | 103 Ų | 103 | 129.3 Ų | 129.3 | 67% | 0.669 | 73% | 0.73 | S | S | * | * | | | cis | -135.7 | -163.9 | -33 | 42.6 | -25.3 | 0 | 0 | 0 | 112.6 | | |
| 410 | T | 45 | Very low | 41.1 | Very low | 124 Ų | 124 | 127.5 Ų | 127.5 | 76% | 0.761 | 72% | 0.724 | S | S | * | * | | | trans | -18.8 | 134.5 | 153.8 | -47 | 0 | 0 | 0 | 0 | 117.1 | | |
| 411 | P | 46.3 | Very low | 42 | Very low | 121 Ų | 121 | 128.5 Ų | 128.5 | 79% | 0.786 | 72% | 0.72 | S | S | * | * | | | | -130.7 | 118.2 | 118.8 | 35.2 | -26.7 | 0 | 0 | 0 | 114.1 | | |
| 412 | E | 44.2 | Very low | 43 | Very low | 172 Ų | 172 | 130 Ų | 130 | 80% | 0.804 | 72% | 0.719 | S | S | * | * | | | | -64.6 | 157.4 | 127.4 | -117.1 | -166.2 | -138.8 | 0 | 0 | 107.1 | | |
| 413 | P | 48.1 | Very low | 43.8 | Very low | 72 Ų | 72 | 127.3 Ų | 127.3 | 47% | 0.468 | 71% | 0.714 | S | S | . | * | | | cis | -153.3 | -158.1 | 42.1 | 39.2 | -15.3 | 0 | 0 | 0 | 114.2 | | |
| 414 | R | 41.5 | Very low | 44.4 | Very low | 222 Ų | 222 | 128.9 Ų | 128.9 | 84% | 0.838 | 72% | 0.718 | S | S | * | * | | | trans | 64.6 | 157 | 142.9 | -81.8 | 178.5 | -172.5 | 94.7 | 1.7 | 118.2 | | |
| 415 | S | 37.7 | Very low | 44.7 | Very low | 89 Ų | 89 | 127.7 Ų | 127.7 | 62% | 0.622 | 71% | 0.713 | S | S | * | * | | | cis | -170.6 | 152.4 | -24 | -123.6 | 0 | 0 | 0 | 0 | 107.7 | | |
| 416 | L | 38.7 | Very low | 44.9 | Very low | 171 Ų | 171 | 128.3 Ų | 128.3 | 90% | 0.895 | 72% | 0.717 | S | S | * | * | | | trans | 65.6 | 162.3 | 166.4 | -53.5 | 163.6 | 0 | 0 | 0 | 114 | | |
| 417 | G | 31.6 | Very low | 45.4 | Very low | 73 Ų | 73 | 129 Ų | 129 | 75% | 0.753 | 73% | 0.725 | S | S | * | * | | | cis | 120 | 67.6 | -2.9 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 418 | S | 41.1 | Very low | 45.7 | Very low | 110 Ų | 110 | 123.7 Ų | 123.7 | 77% | 0.769 | 72% | 0.723 | S | S | * | * | | | trans | -147.7 | 146.8 | 163.2 | 78.7 | 0 | 0 | 0 | 0 | 107.2 | | |
| 419 | A | 38.2 | Very low | 46.5 | Very low | 80 Ų | 80 | 122.2 Ų | 122.2 | 66% | 0.661 | 72% | 0.718 | S | S | * | * | | | cis | 66.3 | 137.1 | 33.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 420 | T | 44.9 | Very low | 47 | Very low | 101 Ų | 101 | 125.8 Ų | 125.8 | 62% | 0.62 | 72% | 0.723 | S | S | * | * | | | cis | -154.7 | -173.6 | -10.7 | 4.7 | 0 | 0 | 0 | 0 | 106.6 | | |
| 421 | E | 46.7 | Very low | 47.2 | Very low | 156 Ų | 156 | 128.1 Ų | 128.1 | 73% | 0.729 | 73% | 0.725 | S | S | * | * | | | trans | 52.4 | 159.4 | 158.7 | 62.1 | -107.4 | 131.6 | 0 | 0 | 118.6 | | |
| 422 | D | 53.6 | Low | 47.4 | Very low | 142 Ų | 142 | 126.6 Ų | 126.6 | 76% | 0.759 | 72% | 0.723 | S | S | * | * | | | cis | -123.8 | 142.3 | 8.2 | -62.9 | -72.5 | 0 | 0 | 0 | 108.6 | | |
| 423 | D | 53.9 | Low | 47.5 | Very low | 134 Ų | 134 | 125.7 Ų | 125.7 | 72% | 0.717 | 72% | 0.724 | S | S | * | * | | | | 79 | 170.3 | 81.6 | -150.4 | 6.1 | 0 | 0 | 0 | 114 | | |
| 424 | D | 56.2 | Low | 47.3 | Very low | 147 Ų | 147 | 127.7 Ų | 127.7 | 79% | 0.786 | 74% | 0.739 | S | S | * | * | | | trans | 76 | 82.4 | -163.2 | -75.5 | -29.2 | 0 | 0 | 0 | 115.4 | | |
| 425 | N | 52.3 | Low | 47.5 | Very low | 117 Ų | 117 | 120.3 Ų | 120.3 | 63% | 0.626 | 73% | 0.733 | S | S | * | * | | | | 81.8 | 102.5 | 75.3 | -72 | -56.8 | 0 | 0 | 0 | 114.5 | | |
| 426 | D | 54.7 | Low | 48 | Very low | 138 Ų | 138 | 124.7 Ų | 124.7 | 74% | 0.738 | 75% | 0.747 | S | S | * | * | | | | 57.9 | 116.1 | 113.8 | -143.7 | 25.2 | 0 | 0 | 0 | 117 | | |
| 427 | T | 52.7 | Low | 48.4 | Very low | 111 Ų | 111 | 119.5 Ų | 119.5 | 68% | 0.681 | 74% | 0.735 | S | S | * | * | | | | -168.2 | 155.3 | 64.8 | 32.6 | 0 | 0 | 0 | 0 | 112.9 | | |
| 428 | A | 52.5 | Low | 49.3 | Very low | 87 Ų | 87 | 125.3 Ų | 125.3 | 72% | 0.719 | 74% | 0.742 | S | S | * | * | | | trans | 65.8 | 141.6 | 150.1 | 0 | 0 | 0 | 0 | 0 | 119.5 | | |
| 429 | S | 54.4 | Low | 49.7 | Very low | 97 Ų | 97 | 126.1 Ų | 126.1 | 68% | 0.678 | 75% | 0.745 | S | S | * | * | | | cis | -166.4 | 157 | -7.4 | -110.1 | 0 | 0 | 0 | 0 | 111.8 | | |
| 430 | K | 52.9 | Low | 50.1 | Low | 178 Ų | 178 | 126.5 Ų | 126.5 | 77% | 0.774 | 75% | 0.748 | S | S | * | * | | | trans | 36.1 | 129.3 | 139.1 | -45.4 | -71.1 | 177.6 | 176.9 | 0 | 117.3 | | |
| 431 | Q | 48.7 | Very low | 50.2 | Low | 172 Ų | 172 | 127.1 Ų | 127.1 | 80% | 0.804 | 75% | 0.754 | S | S | * | * | | | cis | -161.2 | 148.2 | 23.3 | -115.4 | 151.9 | -40 | 0 | 0 | 108.2 | | |
| 432 | A | 51.6 | Low | 49.7 | Very low | 90 Ų | 90 | 125.2 Ų | 125.2 | 74% | 0.744 | 76% | 0.758 | S | S | * | * | | | | 57.6 | 141.6 | 101.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 433 | D | 45.9 | Very low | 49.3 | Very low | 153 Ų | 153 | 124.2 Ų | 124.2 | 82% | 0.818 | 76% | 0.759 | S | S | * | * | | | cis | -144.6 | 173.3 | 8.4 | -153.6 | -7.7 | 0 | 0 | 0 | 112.8 | | |
| 434 | S | 42.8 | Very low | 48.5 | Very low | 113 Ų | 113 | 122.5 Ų | 122.5 | 79% | 0.79 | 76% | 0.758 | S | S | * | * | | | trans | -73.3 | 165.6 | -174.1 | -38 | 0 | 0 | 0 | 0 | 114.4 | | |
| 435 | G | 47.5 | Very low | 47.7 | Very low | 68 Ų | 68 | 121.7 Ų | 121.7 | 70% | 0.701 | 76% | 0.758 | S | S | * | * | | | trans | 128.2 | 115.1 | 135.1 | 0 | 0 | 0 | 0 | 0 | 117.3 | | |
| 436 | I | 46.4 | Very low | 46.9 | Very low | 181 Ų | 181 | 120.9 Ų | 120.9 | 93% | 0.928 | 76% | 0.761 | S | S | * | * | | | trans | 52.1 | 134.5 | 138 | -135.3 | 71.6 | 0 | 0 | 0 | 118.4 | | |
| 437 | G | 47.3 | Very low | 46.2 | Very low | 62 Ų | 62 | 120.5 Ų | 120.5 | 64% | 0.639 | 77% | 0.766 | S | S | * | * | | | cis | 179.1 | -170.9 | 0.9 | 0 | 0 | 0 | 0 | 0 | 108.2 | | |
| 438 | E | 51.1 | Low | 45.6 | Very low | 195 Ų | 195 | 123.2 Ų | 123.2 | 91% | 0.911 | 77% | 0.771 | S | S | * | * | | | trans | -63.8 | 156.5 | 175 | -61.2 | -170.6 | 120.5 | 0 | 0 | 112.7 | | |
| 439 | P | 48.8 | Very low | 45.3 | Very low | 126 Ų | 126 | 124.4 Ų | 124.4 | 82% | 0.818 | 77% | 0.772 | S | S | * | * | | | | -144.5 | 163.5 | 102.9 | 39 | -25.9 | 0 | 0 | 0 | 115.9 | | |
| 440 | A | 47.5 | Very low | 44.5 | Very low | 88 Ų | 88 | 128 Ų | 128 | 73% | 0.727 | 78% | 0.778 | S | S | * | * | | | trans | -90.3 | -166.9 | 167.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 441 | P | 47 | Very low | 43.7 | Very low | 114 Ų | 114 | 123.2 Ų | 123.2 | 74% | 0.74 | 77% | 0.771 | S | S | * | * | | | | -125.7 | 165 | -98.1 | 36.6 | -20.5 | 0 | 0 | 0 | 116.3 | | |
| 442 | S | 37 | Very low | 43.1 | Very low | 116 Ų | 116 | 121.7 Ų | 121.7 | 81% | 0.811 | 76% | 0.764 | S | S | * | * | | | trans | 75.8 | 163.9 | 171 | -37.9 | 0 | 0 | 0 | 0 | 115.7 | | |
| 443 | P | 44.9 | Very low | 42.5 | Very low | 121 Ų | 121 | 123.4 Ų | 123.4 | 79% | 0.786 | 76% | 0.755 | S | S | * | * | | | cis | -134 | -179 | -1 | 43.4 | -27.8 | 0 | 0 | 0 | 116 | | |
| 444 | S | 37.1 | Very low | 42.3 | Very low | 99 Ų | 99 | 119.8 Ų | 119.8 | 69% | 0.692 | 74% | 0.742 | S | S | * | * | | | trans | 70.9 | 105.6 | 140.8 | -165.2 | 0 | 0 | 0 | 0 | 122.8 | | |
| 445 | V | 38.6 | Very low | 42 | Very low | 129 Ų | 129 | 119.1 Ų | 119.1 | 78% | 0.782 | 73% | 0.726 | S | S | * | * | | | trans | 71 | 112.1 | 132.6 | -179.6 | 0 | 0 | 0 | 0 | 121.1 | | |
| 446 | S | 34.9 | Very low | 41.4 | Very low | 101 Ų | 101 | 119.5 Ų | 119.5 | 71% | 0.706 | 71% | 0.709 | S | S | * | * | | | | 38.6 | 135.3 | 124.6 | -132.6 | 0 | 0 | 0 | 0 | 120.8 | | |
| 447 | P | 39.6 | Very low | 41 | Very low | 129 Ų | 129 | 117.3 Ų | 117.3 | 84% | 0.838 | 70% | 0.695 | S | S | * | * | | | | -144.2 | 167.1 | 78.2 | 39.2 | -23.3 | 0 | 0 | 0 | 117.8 | | |
| 448 | E | 40.4 | Very low | 40.6 | Very low | 169 Ų | 169 | 119.3 Ų | 119.3 | 79% | 0.79 | 70% | 0.7 | S | S | * | * | | | trans | -105 | 144.7 | 175.3 | 176.6 | -162.9 | 147.7 | 0 | 0 | 111.1 | | |
| 449 | P | 47.1 | Very low | 40.1 | Very low | 112 Ų | 112 | 115 Ų | 115 | 73% | 0.727 | 69% | 0.691 | S | S | * | * | | | trans | -103.3 | 120.6 | 147.7 | 33.6 | -24.8 | 0 | 0 | 0 | 110 | | |
| 450 | E | 37.2 | Very low | 39.7 | Very low | 172 Ų | 172 | 113.4 Ų | 113.4 | 80% | 0.804 | 68% | 0.683 | S | S | * | * | | | | 54.7 | 129.6 | 86.9 | -70.8 | -142 | 150.7 | 0 | 0 | 115.1 | | |
| 451 | A | 37 | Very low | 39.4 | Very low | 77 Ų | 77 | 116.8 Ų | 116.8 | 64% | 0.636 | 68% | 0.683 | S | S | * | * | | | cis | -165.6 | -159.7 | -2.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 452 | E | 35.8 | Very low | 39.5 | Very low | 140 Ų | 140 | 118.2 Ų | 118.2 | 65% | 0.654 | 69% | 0.685 | S | S | * | * | | | trans | 95.7 | 134.2 | 165.5 | -53.6 | -91 | 127.2 | 0 | 0 | 118.1 | | |
| 453 | K | 39.6 | Very low | 40.2 | Very low | 127 Ų | 127 | 119.3 Ų | 119.3 | 55% | 0.552 | 68% | 0.682 | S | S | * | * | | | cis | -170.5 | 127.2 | -34.4 | -121.7 | 173.1 | -155.2 | 156.3 | 0 | 111.7 | | |
| 454 | S | 39.8 | Very low | 40.3 | Very low | 77 Ų | 77 | 120.4 Ų | 120.4 | 54% | 0.538 | 68% | 0.676 | S | S | . | * | | | trans | 66.1 | 172.7 | 161.6 | -46.4 | 0 | 0 | 0 | 0 | 115.2 | | |
| 455 | Q | 37.3 | Very low | 41 | Very low | 98 Ų | 98 | 119.8 Ų | 119.8 | 46% | 0.458 | 68% | 0.677 | S | S | . | * | | | cis | -147.6 | -179.2 | 12.1 | -58.3 | 170.9 | -13.5 | 0 | 0 | 108.9 | F15 | F15-Q455 VanDerWaalsContact N-OE1 3.12Š|
| 456 | Q | 35.4 | Very low | 41.4 | Very low | 76 Ų | 76 | 121.1 Ų | 121.1 | 36% | 0.355 | 68% | 0.678 | S | S | . | * | | | | -168.4 | 168 | -59.8 | -157.5 | 170.2 | -85.9 | 0 | 0 | 109.6 | G16 | G16-Q456 VanDerWaalsContact C-NE2 3.34Å; G16-Q456 PolarHBondContact O-NE2 3.42Å |
| 457 | E | 37.2 | Very low | 42.4 | Very low | 135 Ų | 135 | 122.8 Ų | 122.8 | 63% | 0.631 | 67% | 0.673 | S | S | * | * | | | trans | 62.3 | 156.4 | 175.2 | -82.1 | 81.4 | -131.8 | 0 | 0 | 116.3 | | |
| 458 | S | 39.3 | Very low | 43 | Very low | 105 Ų | 105 | 122.7 Ų | 122.7 | 73% | 0.734 | 67% | 0.67 | S | S | * | * | | | cis | -163.4 | 170.2 | -8.6 | -112 | 0 | 0 | 0 | 0 | 111.3 | | |
| 459 | S | 41.7 | Very low | 43 | Very low | 103 Ų | 103 | 120.8 Ų | 120.8 | 72% | 0.72 | 66% | 0.656 | S | S | * | * | | | trans | 55.2 | 124 | 160.5 | -140.4 | 0 | 0 | 0 | 0 | 118.3 | | |
| 460 | S | 40 | Very low | 42.8 | Very low | 93 Ų | 93 | 122.8 Ų | 122.8 | 65% | 0.65 | 66% | 0.661 | S | S | * | * | | | cis | 75.2 | 140.6 | 31 | 91 | 0 | 0 | 0 | 0 | 116.1 | | |
| 461 | E | 41.5 | Very low | 42.9 | Very low | 159 Ų | 159 | 123 Ų | 123 | 74% | 0.743 | 66% | 0.66 | S | S | * | * | | | trans | 63.4 | 147.7 | -178 | -92.7 | 68.5 | 113.6 | 0 | 0 | 120.8 | | |
| 462 | D | 48 | Very low | 43.2 | Very low | 145 Ų | 145 | 128.8 Ų | 128.8 | 78% | 0.775 | 67% | 0.67 | S | S | * | * | | | trans | 61.4 | 142.1 | 162.2 | -59.6 | -12.8 | 0 | 0 | 0 | 119.8 | | |
| 463 | D | 52.5 | Low | 43.6 | Very low | 139 Ų | 139 | 128.2 Ų | 128.2 | 74% | 0.743 | 67% | 0.671 | S | S | * | * | | | cis | -152 | 171.9 | 1.6 | -148.8 | -22.7 | 0 | 0 | 0 | 112.9 | A465 | D463-A465 VanDerWaalsContact C-N 3.34Å; D463-A465 PolarHBondContact O-N 3.04Å |
| 464 | E | 46.7 | Very low | 43.3 | Very low | 143 Ų | 143 | 127.5 Ų | 127.5 | 67% | 0.668 | 68% | 0.681 | S | S | * | * | | | trans | -72.7 | 59.4 | -176 | -63 | -164 | 160.4 | 0 | 0 | 116.1 | K467 | E464-K467 IonicContact OE2-NZ 2.61Å; E464-K467 PolarHBondContact OE2-NZ 2.81Å |
| 465 | A | 52.4 | Low | 43.1 | Very low | 87 Ų | 87 | 132.7 Ų | 132.7 | 72% | 0.719 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -135.9 | 122.4 | 168.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | D463 | D463-A465 VanDerWaalsContact C-N 3.34Å; D463-A465 PolarHBondContact O-N 3.04Å |
| 466 | I | 46.9 | Very low | 43.3 | Very low | 156 Ų | 156 | 134.2 Ų | 134.2 | 80% | 0.8 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | cis | -115.6 | 104.6 | 36 | -56.5 | 172.8 | 0 | 0 | 0 | 112.5 | V468 | I466-V468 VanDerWaalsContact C-N 3.34Å; I466-V468 HydrophobicContact CG2-CG2 3.75Å; I466-V468 PolarHBondContact O-N 3Å |
| 467 | K | 56 | Low | 43.6 | Very low | 137 Ų | 137 | 135.3 Ų | 135.3 | 60% | 0.596 | 73% | 0.729 | S | S | * | * | | | trans | -75.3 | 79.1 | 168.5 | -155.5 | 169.5 | -156.3 | 157 | 0 | 109.5 | E464 Y469 | E464-K467 IonicContact OE2-NZ 2.61Å; E464-K467 PolarHBondContact OE2-NZ 2.81Å; K467-Y469 PolarHBondContact O-N 2.99Å |
| 468 | V | 50.6 | Low | 43.9 | Very low | 127 Ų | 127 | 138.4 Ų | 138.4 | 77% | 0.77 | 74% | 0.74 | S | S | * | * | | | trans | -61.2 | 111.7 | 175.4 | -176.5 | 0 | 0 | 0 | 0 | 108 | I466 N470 | I466-V468 VanDerWaalsContact C-N 3.34Å; I466-V468 HydrophobicContact CG2-CG2 3.75Å; I466-V468 PolarHBondContact O-N 3Å; V468-N470 PolarHBondContact O-N 3.07Å |
| 469 | Y | 41.3 | Very low | 44 | Very low | 128 Ų | 128 | 142.8 Ų | 142.8 | 50% | 0.502 | 75% | 0.746 | S | S | . | * | | | trans | -82 | 86.1 | -153.4 | -158 | -92.7 | 0 | 0 | 0 | 112.2 | K467 F471 L473 | K467-Y469 PolarHBondContact O-N 2.99Å; Y469-F471 HydrophobicContact CD1-CB 4.45Å; Y469-F471 HydrophobicContact CD1-CD1 4.05Å; Y469-F471 AromaticContact CD1-CD2 3.62Å; Y469-F471 HydrophobicContact CD1-CD2 3.62Å; Y469-F471 HydrophobicContact CD1-CE1 4.17Å; Y469-F471 AromaticContact CD1-CE2 3.75Å; Y469-F471 HydrophobicContact CD1-CE2 3.75Å; Y469-F471 AromaticContact CD1-CG 3.77Å; Y469-F471 HydrophobicContact CD1-CG 3.77Å; Y469-F471 HydrophobicContact CD1-CZ 4.02Å; Y469-F471 AromaticContact CE1-CD1 3.73Å; Y469-F471 HydrophobicContact CE1-CD1 3.73Å; Y469-F471 HydrophobicContact CE1-CD2 4.17Å; Y469-F471 AromaticContact CE1-CE1 3.87Å; Y469-F471 HydrophobicContact CE1-CE1 3.87Å; Y469-F471 HydrophobicContact CE1-CE2 4.3Å; Y469-F471 AromaticContact CE1-CG 3.88Å; Y469-F471 HydrophobicContact CE1-CG 3.88Å; Y469-F471 HydrophobicContact CE1-CZ 4.15Å; Y469-F471 PolarHBondContact O-N 2.89Å; Y469-L473 VanDerWaalsContact OH-CD1 3.3Å; Y469-L473 WeakPolarHBondContact OH-CD1 3.32Å |
| 470 | N | 42.3 | Very low | 44 | Very low | 155 Ų | 155 | 143.3 Ų | 143.3 | 83% | 0.829 | 75% | 0.747 | S | S | * | * | | | trans | -60 | 104.9 | 157.3 | -85.3 | -20.9 | 0 | 0 | 0 | 107.9 | V468 K472 | V468-N470 PolarHBondContact O-N 3.07Å; N470-K472 PolarHBondContact O-N 2.61Å |
| 471 | F | 40.3 | Very low | 43.8 | Very low | 177 Ų | 177 | 147.1 Ų | 147.1 | 78% | 0.776 | 76% | 0.755 | S | S | * | * | | | trans | -59.8 | 103.8 | -177.3 | -91.2 | -96.8 | 0 | 0 | 0 | 111.3 | Y469 | Y469-F471 HydrophobicContact CD1-CB 4.45Å; Y469-F471 HydrophobicContact CD1-CD1 4.05Å; Y469-F471 AromaticContact CD1-CD2 3.62Å; Y469-F471 HydrophobicContact CD1-CD2 3.62Å; Y469-F471 HydrophobicContact CD1-CE1 4.17Å; Y469-F471 AromaticContact CD1-CE2 3.75Å; Y469-F471 HydrophobicContact CD1-CE2 3.75Å; Y469-F471 AromaticContact CD1-CG 3.77Å; Y469-F471 HydrophobicContact CD1-CG 3.77Å; Y469-F471 HydrophobicContact CD1-CZ 4.02Å; Y469-F471 AromaticContact CE1-CD1 3.73Å; Y469-F471 HydrophobicContact CE1-CD1 3.73Å; Y469-F471 HydrophobicContact CE1-CD2 4.17Å; Y469-F471 AromaticContact CE1-CE1 3.87Å; Y469-F471 HydrophobicContact CE1-CE1 3.87Å; Y469-F471 HydrophobicContact CE1-CE2 4.3Å; Y469-F471 AromaticContact CE1-CG 3.88Å; Y469-F471 HydrophobicContact CE1-CG 3.88Å; Y469-F471 HydrophobicContact CE1-CZ 4.15Å; Y469-F471 PolarHBondContact O-N 2.89Å |
| 472 | K | 41.9 | Very low | 43.9 | Very low | 197 Ų | 197 | 144.7 Ų | 144.7 | 86% | 0.857 | 75% | 0.753 | S | S | * | * | | | trans | -130.7 | 80.4 | 165.7 | -85.4 | -162.8 | 168.8 | -173.3 | 0 | 111.4 | N470 | N470-K472 PolarHBondContact O-N 2.61Š|
| 473 | L | 44.1 | Very low | 43.4 | Very low | 128 Ų | 128 | 142.4 Ų | 142.4 | 67% | 0.67 | 75% | 0.748 | S | S | * | * | | | trans | -94.8 | 138.7 | 149.2 | -89.1 | 70.2 | 0 | 0 | 0 | 106.5 | Y469 | Y469-L473 VanDerWaalsContact OH-CD1 3.3Å; Y469-L473 WeakPolarHBondContact OH-CD1 3.32Å |
| 474 | C | 33.5 | Very low | 42.3 | Very low | 113 Ų | 113 | 140.7 Ų | 140.7 | 76% | 0.764 | 75% | 0.753 | S | S | * | * | | | cis | -134.8 | 171.3 | -1.1 | -84.1 | 0 | 0 | 0 | 0 | 110.7 | | |
| 475 | Q | 35.2 | Very low | 42 | Very low | 185 Ų | 185 | 138.6 Ų | 138.6 | 86% | 0.864 | 76% | 0.76 | S | S | * | * | | | trans | -68.5 | 148.5 | 162.6 | -57.9 | 174 | 3.5 | 0 | 0 | 108.9 | | |
| 476 | T | 41.9 | Very low | 41.3 | Very low | 130 Ų | 130 | 140.8 Ų | 140.8 | 80% | 0.798 | 77% | 0.765 | S | S | * | * | | | | -149.7 | 127.6 | 82.9 | 37.6 | 0 | 0 | 0 | 0 | 115 | | |
| 477 | S | 42.9 | Very low | 41.1 | Very low | 99 Ų | 99 | 141.6 Ų | 141.6 | 69% | 0.692 | 77% | 0.77 | S | S | * | * | | | trans | 23.3 | 112.1 | 146.6 | 68.9 | 0 | 0 | 0 | 0 | 121.6 | | |
| 478 | K | 42.7 | Very low | 40.3 | Very low | 201 Ų | 201 | 138.7 Ų | 138.7 | 87% | 0.874 | 77% | 0.771 | S | S | * | * | | | | 168.1 | 116.6 | 95.6 | -86.2 | -173.8 | -176 | 179.7 | 0 | 113.9 | | |
| 479 | K | 41.3 | Very low | 40 | Very low | 197 Ų | 197 | 141.3 Ų | 141.3 | 86% | 0.857 | 78% | 0.775 | S | S | * | * | | | trans | 12.4 | 140.3 | 140 | -175.6 | 173.2 | -175.8 | 170.4 | 0 | 119.1 | | |
| 480 | P | 41.6 | Very low | 40 | Very low | 114 Ų | 114 | 143.7 Ų | 143.7 | 74% | 0.74 | 80% | 0.795 | S | S | * | * | | | cis | -133.1 | 174.6 | 25 | 21.3 | 4.6 | 0 | 0 | 0 | 119.9 | | |
| 481 | E | 36 | Very low | 40.1 | Very low | 173 Ų | 173 | 141.8 Ų | 141.8 | 81% | 0.808 | 79% | 0.79 | S | S | * | * | | | trans | -45.4 | 174.2 | 155.8 | -96.6 | -171.5 | 107.4 | 0 | 0 | 117.5 | | |
| 482 | P | 44.4 | Very low | 40.3 | Very low | 108 Ų | 108 | 137.5 Ų | 137.5 | 70% | 0.701 | 79% | 0.787 | S | S | * | * | | | cis | -143.7 | 169.6 | 29.3 | 44.6 | -26.1 | 0 | 0 | 0 | 120.9 | | |
| 483 | S | 36 | Very low | 40.2 | Very low | 96 Ų | 96 | 136.4 Ų | 136.4 | 67% | 0.671 | 79% | 0.79 | S | S | * | * | | | trans | 43.5 | 105.4 | 142.2 | 67.2 | 0 | 0 | 0 | 0 | 123.4 | | |
| 484 | A | 30.8 | Very low | 39.9 | Very low | 104 Ų | 104 | 136.5 Ų | 136.5 | 86% | 0.86 | 80% | 0.795 | S | S | * | * | | | | 39.4 | 108.5 | 120.8 | 0 | 0 | 0 | 0 | 0 | 121.7 | | |
| 485 | A | 39.1 | Very low | 39.9 | Very low | 98 Ų | 98 | 134.7 Ų | 134.7 | 81% | 0.81 | 79% | 0.789 | S | S | * | * | | | trans | -156.7 | 100 | 149.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 486 | T | 38.2 | Very low | 39.9 | Very low | 134 Ų | 134 | 133.7 Ų | 133.7 | 82% | 0.822 | 78% | 0.784 | S | S | * | * | | | trans | -158.1 | 48.1 | 175.4 | -27 | 0 | 0 | 0 | 0 | 112.6 | | |
| 487 | L | 43.6 | Very low | 39.7 | Very low | 172 Ų | 172 | 132.6 Ų | 132.6 | 90% | 0.901 | 77% | 0.773 | S | S | * | * | S | Bend | trans | -144.1 | 9.4 | 179.8 | -157.3 | 114.2 | 0 | 0 | 0 | 114.1 | | |
| 488 | A | 38.7 | Very low | 39.5 | Very low | 76 Ų | 76 | 134 Ų | 134 | 63% | 0.628 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -111.2 | -23.3 | -169.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | L490 | A488-L490 VanDerWaalsContact C-N 3.25Å; A488-L490 PolarHBondContact O-N 2.93Å; A488-L490 VanDerWaalsContact O-N 3.15Å |
| 489 | E | 44.4 | Very low | 39.3 | Very low | 182 Ų | 182 | 131.3 Ų | 131.3 | 85% | 0.85 | 76% | 0.762 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.9 | -5.4 | -168.1 | -64.8 | -178.3 | 128.2 | 0 | 0 | 115.4 | | |
| 490 | L | 41.6 | Very low | 39.1 | Very low | 178 Ų | 178 | 130.3 Ų | 130.3 | 93% | 0.932 | 76% | 0.761 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.3 | 6.4 | -176.8 | -66.3 | 177 | 0 | 0 | 0 | 114.7 | A488 | A488-L490 VanDerWaalsContact C-N 3.25Å; A488-L490 PolarHBondContact O-N 2.93Å; A488-L490 VanDerWaalsContact O-N 3.15Å |
| 491 | T | 43.8 | Very low | 39 | Very low | 116 Ų | 116 | 133.2 Ų | 133.2 | 71% | 0.712 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -121.7 | -7.8 | -168.9 | -32.2 | 0 | 0 | 0 | 0 | 114.5 | | |
| 492 | A | 44.8 | Very low | 39.2 | Very low | 87 Ų | 87 | 130.3 Ų | 130.3 | 72% | 0.719 | 76% | 0.755 | S | S | * | * | | | trans | -101.5 | 19 | -165.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 493 | L | 40 | Very low | 38.8 | Very low | 174 Ų | 174 | 130.8 Ų | 130.8 | 91% | 0.911 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -114.6 | 42.2 | 178.5 | -71.9 | 175.8 | 0 | 0 | 0 | 112.4 | | |
| 494 | T | 36.7 | Very low | 39 | Very low | 129 Ų | 129 | 133.7 Ų | 133.7 | 79% | 0.791 | 75% | 0.754 | S | S | * | * | S | Bend | trans | -156.2 | 147 | 172.2 | -62 | 0 | 0 | 0 | 0 | 108.9 | | |
| 495 | A | 35.2 | Very low | 39.3 | Very low | 75 Ų | 75 | 133.9 Ų | 133.9 | 62% | 0.62 | 74% | 0.744 | S | S | * | * | | | trans | 77.1 | 119.6 | -173.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 496 | Q | 33.3 | Very low | 39.3 | Very low | 164 Ų | 164 | 135.2 Ų | 135.2 | 77% | 0.766 | 74% | 0.738 | S | S | * | * | | | | 78.5 | 142.7 | 90.8 | -73.1 | -175.3 | -99.7 | 0 | 0 | 112.4 | | |
| 497 | D | 37.6 | Very low | 39.3 | Very low | 107 Ų | 107 | 136.7 Ų | 136.7 | 57% | 0.572 | 74% | 0.735 | S | S | * | * | | | cis | -159.1 | 157 | 12.4 | -114.4 | -2 | 0 | 0 | 0 | 109.3 | | |
| 498 | I | 39.6 | Very low | 39.2 | Very low | 129 Ų | 129 | 134.1 Ų | 134.1 | 66% | 0.662 | 73% | 0.729 | S | S | * | * | | | | 55.9 | 132 | 95.8 | -77.6 | 172.9 | 0 | 0 | 0 | 113.4 | | |
| 499 | E | 37.8 | Very low | 39 | Very low | 145 Ų | 145 | 135.5 Ų | 135.5 | 68% | 0.678 | 74% | 0.74 | S | S | * | * | | | cis | -164.1 | 165.7 | 5.1 | -113.8 | 162.5 | -169.3 | 0 | 0 | 111.2 | | |
| 500 | E | 38.9 | Very low | 38.5 | Very low | 176 Ų | 176 | 132.1 Ų | 132.1 | 82% | 0.822 | 74% | 0.736 | S | S | * | * | | | trans | 45.2 | 167.7 | 151.5 | -59.6 | -177.7 | 153.5 | 0 | 0 | 120.7 | | |
| 501 | E | 37.7 | Very low | 38.4 | Very low | 174 Ų | 174 | 131.8 Ų | 131.8 | 81% | 0.813 | 73% | 0.734 | S | S | * | * | | | cis | -150.8 | 176.9 | 16.3 | -133.7 | -170.6 | -178.6 | 0 | 0 | 106.7 | | |
| 502 | D | 40.1 | Very low | 37.9 | Very low | 113 Ų | 113 | 131 Ų | 131 | 60% | 0.604 | 73% | 0.729 | S | S | * | * | | | cis | -160.6 | 179.2 | -4.3 | -164 | 16.2 | 0 | 0 | 0 | 111.5 | | |
| 503 | N | 36.8 | Very low | 37.5 | Very low | 118 Ų | 118 | 134.5 Ų | 134.5 | 63% | 0.631 | 74% | 0.736 | S | S | * | * | | | trans | -1.8 | 159.1 | 151.4 | -78.6 | -48.3 | 0 | 0 | 0 | 123.1 | | |
| 504 | H | 39.9 | Very low | 37.4 | Very low | 156 Ų | 156 | 129.6 Ų | 129.6 | 72% | 0.722 | 73% | 0.728 | S | S | * | * | | | cis | -174.2 | 179.1 | -16.6 | -150.8 | 33.1 | 0 | 0 | 0 | 106.5 | | |
| 505 | V | 38.2 | Very low | 37.3 | Very low | 108 Ų | 108 | 130.9 Ų | 130.9 | 66% | 0.655 | 73% | 0.73 | S | S | * | * | | | cis | -126.9 | -137.7 | 7.6 | -149 | 0 | 0 | 0 | 0 | 107.1 | | |
| 506 | D | 38.5 | Very low | 37.3 | Very low | 127 Ų | 127 | 134.9 Ų | 134.9 | 68% | 0.679 | 74% | 0.74 | S | S | * | * | | | cis | -139 | -125.8 | -8.2 | -160 | 14.3 | 0 | 0 | 0 | 111.5 | | |
| 507 | Q | 38.6 | Very low | 37.5 | Very low | 165 Ų | 165 | 130.8 Ų | 130.8 | 77% | 0.771 | 73% | 0.734 | S | S | * | * | | | trans | -145.1 | 169 | -144.5 | -87.7 | -175.6 | 94.2 | 0 | 0 | 118.9 | | |
| 508 | P | 40.7 | Very low | 37.5 | Very low | 117 Ų | 117 | 132.1 Ų | 132.1 | 76% | 0.76 | 75% | 0.746 | S | S | * | * | | | trans | -128.4 | -177.7 | -149.2 | 45.2 | -32.3 | 0 | 0 | 0 | 116.7 | | |
| 509 | A | 35.4 | Very low | 37.6 | Very low | 105 Ų | 105 | 131.1 Ų | 131.1 | 87% | 0.868 | 75% | 0.748 | S | S | * | * | | | trans | -147.5 | 159.1 | 160.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 510 | S | 34 | Very low | 37.4 | Very low | 111 Ų | 111 | 129 Ų | 129 | 78% | 0.776 | 75% | 0.749 | S | S | * | * | | | trans | -112.7 | 172.9 | -170.2 | -42.4 | 0 | 0 | 0 | 0 | 113.7 | | |
| 511 | I | 38.1 | Very low | 37.4 | Very low | 171 Ų | 171 | 124.7 Ų | 124.7 | 88% | 0.877 | 74% | 0.738 | S | S | * | * | | | trans | -176.1 | 163.4 | 134.9 | -93.3 | 152.4 | 0 | 0 | 0 | 111.2 | | |
| 512 | T | 34.7 | Very low | 37.6 | Very low | 101 Ų | 101 | 125 Ų | 125 | 62% | 0.62 | 74% | 0.74 | S | S | * | * | | | trans | -112.5 | -179.6 | -148.6 | 60.1 | 0 | 0 | 0 | 0 | 116.9 | | |
| 513 | N | 36.5 | Very low | 37.6 | Very low | 159 Ų | 159 | 126 Ų | 126 | 85% | 0.85 | 75% | 0.75 | S | S | * | * | | | trans | 93 | 139 | 160 | -43 | -42.1 | 0 | 0 | 0 | 117.2 | | |
| 514 | G | 38.1 | Very low | 37.6 | Very low | 72 Ų | 72 | 125.3 Ų | 125.3 | 74% | 0.742 | 76% | 0.755 | S | S | * | * | | | cis | 171.1 | 155.2 | -9.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 515 | N | 33.6 | Very low | 37.6 | Very low | 156 Ų | 156 | 125.6 Ų | 125.6 | 83% | 0.834 | 76% | 0.761 | S | S | * | * | | | trans | 10.8 | 151.6 | 159.6 | -64.8 | -0.3 | 0 | 0 | 0 | 121.7 | | |
| 516 | L | 36.4 | Very low | 37.6 | Very low | 158 Ų | 158 | 125.8 Ų | 125.8 | 83% | 0.827 | 76% | 0.762 | S | S | * | * | | | cis | -152.6 | -163.9 | 25.4 | -151.7 | 56.4 | 0 | 0 | 0 | 107.6 | | |
| 517 | A | 36.6 | Very low | 37.5 | Very low | 78 Ų | 78 | 123.8 Ų | 123.8 | 65% | 0.645 | 76% | 0.758 | S | S | * | * | | | cis | -161.5 | -166.1 | 9.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 518 | T | 36.5 | Very low | 37.6 | Very low | 135 Ų | 135 | 126.3 Ų | 126.3 | 83% | 0.828 | 76% | 0.761 | S | S | * | * | | | trans | -159.8 | 179.7 | 176.1 | -10.9 | 0 | 0 | 0 | 0 | 107.3 | | |
| 519 | P | 42.7 | Very low | 37.6 | Very low | 108 Ų | 108 | 128.2 Ų | 128.2 | 70% | 0.701 | 77% | 0.765 | S | S | * | * | | | | -160.5 | 174.2 | 53.3 | 43.4 | -20 | 0 | 0 | 0 | 120.8 | | |
| 520 | S | 33.9 | Very low | 38.1 | Very low | 101 Ų | 101 | 133.2 Ų | 133.2 | 71% | 0.706 | 76% | 0.763 | S | S | * | * | | | trans | 60.7 | 160.4 | 141.3 | 68.1 | 0 | 0 | 0 | 0 | 121.1 | | |
| 521 | S | 39.5 | Very low | 38.5 | Very low | 85 Ų | 85 | 134.7 Ų | 134.7 | 59% | 0.594 | 76% | 0.761 | S | S | * | * | | | cis | -150.8 | 154.2 | 13.2 | -39.5 | 0 | 0 | 0 | 0 | 112.9 | | |
| 522 | E | 41.5 | Very low | 38.8 | Very low | 180 Ų | 180 | 133.4 Ų | 133.4 | 84% | 0.841 | 76% | 0.756 | S | S | * | * | | | trans | 58.2 | 149.4 | 138.5 | -71.9 | 161.4 | -177.7 | 0 | 0 | 121.6 | | |
| 523 | T | 39.4 | Very low | 39.3 | Very low | 135 Ų | 135 | 133.7 Ų | 133.7 | 83% | 0.828 | 76% | 0.76 | S | S | * | * | | | cis | -142 | 168.9 | 6.6 | 3.2 | 0 | 0 | 0 | 0 | 111.4 | | |
| 524 | S | 37 | Very low | 39.5 | Very low | 103 Ų | 103 | 134.2 Ų | 134.2 | 72% | 0.72 | 76% | 0.76 | S | S | * | * | | | trans | -119.8 | 149.4 | -177.4 | -47.5 | 0 | 0 | 0 | 0 | 114 | | |
| 525 | L | 39.9 | Very low | 39.7 | Very low | 162 Ų | 162 | 135.3 Ų | 135.3 | 85% | 0.848 | 76% | 0.757 | S | S | * | * | | | trans | -147.1 | 114.9 | 146.3 | -68.6 | -179.9 | 0 | 0 | 0 | 106.8 | | |
| 526 | T | 37.5 | Very low | 41.1 | Very low | 112 Ų | 112 | 132.8 Ų | 132.8 | 69% | 0.687 | 75% | 0.749 | S | S | * | * | | | | 61.4 | 140.8 | 63.2 | 71.3 | 0 | 0 | 0 | 0 | 114.2 | | |
| 527 | S | 37.5 | Very low | 41.7 | Very low | 85 Ų | 85 | 131 Ų | 131 | 59% | 0.594 | 75% | 0.747 | S | S | * | * | | | cis | -178.8 | 136.5 | -20.1 | 48.6 | 0 | 0 | 0 | 0 | 108.2 | | |
| 528 | W | 39.8 | Very low | 42.4 | Very low | 218 Ų | 218 | 131.7 Ų | 131.7 | 83% | 0.826 | 75% | 0.745 | S | S | * | * | | | trans | -158.4 | 72.9 | 157.5 | -77.5 | 117.7 | 0 | 0 | 0 | 111.7 | | |
| 529 | N | 42.2 | Very low | 42.9 | Very low | 158 Ų | 158 | 132.9 Ų | 132.9 | 85% | 0.845 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -73.9 | 127.8 | 144.4 | -86.8 | -11.7 | 0 | 0 | 0 | 106 | | |
| 530 | Y | 45 | Very low | 42.8 | Very low | 210 Ų | 210 | 135.5 Ų | 135.5 | 82% | 0.824 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -70 | 136.1 | 171 | -98.4 | -99.7 | 0 | 0 | 0 | 109.6 | | |
| 531 | L | 42.7 | Very low | 43.4 | Very low | 142 Ų | 142 | 136.2 Ų | 136.2 | 74% | 0.743 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -80.1 | 168 | -179.6 | -78.2 | 159.9 | 0 | 0 | 0 | 111.9 | | |
| 532 | D | 44.4 | Very low | 43.5 | Very low | 143 Ų | 143 | 139.7 Ų | 139.7 | 77% | 0.765 | 76% | 0.764 | S | S | * | * | | | trans | 80.3 | 149.7 | 154 | -60.9 | -28.4 | 0 | 0 | 0 | 119.9 | | |
| 533 | P | 44.5 | Very low | 43.5 | Very low | 108 Ų | 108 | 138.1 Ų | 138.1 | 70% | 0.701 | 76% | 0.756 | S | S | * | * | | | trans | -127.5 | 150.4 | -143.7 | 38.9 | -23.1 | 0 | 0 | 0 | 115.3 | | |
| 534 | I | 40.4 | Very low | 43.6 | Very low | 169 Ų | 169 | 139.2 Ų | 139.2 | 87% | 0.867 | 75% | 0.752 | S | S | * | * | | | trans | -131.7 | 118.9 | 145.6 | -71 | 92 | 0 | 0 | 0 | 107.3 | | |
| 535 | S | 42.8 | Very low | 43.9 | Very low | 95 Ų | 95 | 140.7 Ų | 140.7 | 66% | 0.664 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -82.2 | 142.3 | 168.4 | -169.6 | 0 | 0 | 0 | 0 | 109.5 | | |
| 536 | P | 62.4 | Low | 44 | Very low | 104 Ų | 104 | 139.3 Ų | 139.3 | 68% | 0.675 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 142.3 | 152 | 29.6 | -33 | 0 | 0 | 0 | 108.4 | | |
| 537 | P | 49.8 | Very low | 44.2 | Very low | 120 Ų | 120 | 140.8 Ų | 140.8 | 78% | 0.779 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 146.7 | 176.2 | 27.8 | -33.7 | 0 | 0 | 0 | 110.6 | | |
| 538 | P | 51.3 | Low | 44.3 | Very low | 93 Ų | 93 | 146.8 Ų | 146.8 | 60% | 0.604 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -81.5 | 148.6 | -173.1 | 32.7 | -35 | 0 | 0 | 0 | 112.3 | F540 | P538-F540 HydrophobicContact CB-CD2 3.74Å; P538-F540 HydrophobicContact CB-CE2 3.7Å; P538-F540 HydrophobicContact CB-CZ 4.44Å; P538-F540 HydrophobicContact CG-CD2 3.57Å; P538-F540 HydrophobicContact CG-CE2 3.43Å; P538-F540 VanDerWaalsContact CG-CE2 3.43Å; P538-F540 HydrophobicContact CG-CZ 4.49Å |
| 539 | D | 47 | Very low | 44 | Very low | 160 Ų | 160 | 144.2 Ų | 144.2 | 86% | 0.856 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -95.1 | 129.3 | 156.5 | -160.6 | -9 | 0 | 0 | 0 | 108.5 | | |
| 540 | F | 40.1 | Very low | 43.8 | Very low | 162 Ų | 162 | 141.4 Ų | 141.4 | 71% | 0.711 | 75% | 0.746 | S | S | * | * | | | trans | -128.5 | 85.4 | -170.3 | -92.4 | -63.7 | 0 | 0 | 0 | 110.3 | P538 | P538-F540 HydrophobicContact CB-CD2 3.74Å; P538-F540 HydrophobicContact CB-CE2 3.7Å; P538-F540 HydrophobicContact CB-CZ 4.44Å; P538-F540 HydrophobicContact CG-CD2 3.57Å; P538-F540 HydrophobicContact CG-CE2 3.43Å; P538-F540 VanDerWaalsContact CG-CE2 3.43Å; P538-F540 HydrophobicContact CG-CZ 4.49Å |
| 541 | S | 45.9 | Very low | 43.4 | Very low | 117 Ų | 117 | 134.6 Ų | 134.6 | 82% | 0.818 | 74% | 0.74 | S | S | * | * | | | trans | -162.7 | 130.1 | 158.9 | -75.7 | 0 | 0 | 0 | 0 | 108.2 | | |
| 542 | D | 42.9 | Very low | 43.1 | Very low | 157 Ų | 157 | 133 Ų | 133 | 84% | 0.84 | 74% | 0.74 | S | S | * | * | | | cis | -139.3 | 163 | -1.8 | -158.4 | -5.5 | 0 | 0 | 0 | 110.1 | | |
| 543 | Q | 41.6 | Very low | 43.1 | Very low | 147 Ų | 147 | 134.5 Ų | 134.5 | 69% | 0.687 | 75% | 0.748 | S | S | * | * | | | trans | -109 | 174.1 | -179 | -75.4 | -167.1 | 23.4 | 0 | 0 | 112.7 | | |
| 544 | Q | 41.3 | Very low | 42.9 | Very low | 158 Ų | 158 | 134.3 Ų | 134.3 | 74% | 0.738 | 75% | 0.749 | S | S | * | * | | | trans | 95.6 | 132 | 160.5 | -55.1 | -171.5 | 43 | 0 | 0 | 115 | | |
| 545 | M | 43.4 | Very low | 43.2 | Very low | 134 Ų | 134 | 132.2 Ų | 132.2 | 66% | 0.66 | 75% | 0.747 | S | S | * | * | | | cis | -139.2 | 153.3 | 6.1 | -82.1 | -150.5 | -179 | 0 | 0 | 113.9 | | |
| 546 | Q | 42.8 | Very low | 43.6 | Very low | 134 Ų | 134 | 130.6 Ų | 130.6 | 63% | 0.626 | 75% | 0.745 | S | S | * | * | | | trans | 37.1 | 133.6 | 135.2 | -56.3 | -179 | 27.8 | 0 | 0 | 119.6 | | |
| 547 | K | 40.8 | Very low | 43.5 | Very low | 143 Ų | 143 | 129.7 Ų | 129.7 | 62% | 0.622 | 74% | 0.741 | S | S | * | * | | | cis | -167.5 | 159.1 | 38.6 | -113.6 | 137.1 | -179.1 | 159.2 | 0 | 111.1 | | |
| 548 | R | 38.5 | Very low | 44.4 | Very low | 210 Ų | 210 | 128.1 Ų | 128.1 | 79% | 0.792 | 73% | 0.731 | S | S | * | * | | | trans | 16.2 | 143.3 | 137.7 | -47.5 | 170.5 | -165.2 | 151.8 | 0.9 | 118.1 | | |
| 549 | N | 35.4 | Very low | 45.4 | Very low | 164 Ų | 164 | 129.8 Ų | 129.8 | 88% | 0.877 | 73% | 0.734 | S | S | * | * | | | cis | -159.1 | -173.5 | 21.5 | -137.1 | 3.7 | 0 | 0 | 0 | 112.3 | | |
| 550 | A | 38.1 | Very low | 46.7 | Very low | 99 Ų | 99 | 127.6 Ų | 127.6 | 82% | 0.818 | 72% | 0.722 | S | S | * | * | | | trans | -102.9 | 164.5 | -172.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 551 | G | 35.6 | Very low | 48.5 | Very low | 68 Ų | 68 | 126.9 Ų | 126.9 | 70% | 0.701 | 72% | 0.721 | S | S | * | * | | | trans | 127.9 | 90.9 | 138.9 | 0 | 0 | 0 | 0 | 0 | 120.4 | | |
| 552 | S | 36.3 | Very low | 50.1 | Low | 107 Ų | 107 | 125.5 Ų | 125.5 | 75% | 0.748 | 70% | 0.704 | S | S | * | * | | | trans | 39.6 | 122.5 | 137 | 61.1 | 0 | 0 | 0 | 0 | 123.8 | | |
| 553 | L | 44 | Very low | 52.1 | Low | 175 Ų | 175 | 122.2 Ų | 122.2 | 92% | 0.916 | 69% | 0.689 | S | S | * | * | | | trans | 73.7 | 125.5 | 135.8 | -64.3 | 168.5 | 0 | 0 | 0 | 121.6 | | |
| 554 | S | 40.1 | Very low | 54.1 | Low | 104 Ų | 104 | 120.6 Ų | 120.6 | 73% | 0.727 | 69% | 0.685 | S | S | * | * | | | trans | -46.5 | 149.6 | 171.7 | -165.9 | 0 | 0 | 0 | 0 | 115.8 | | |
| 555 | P | 47.5 | Very low | 56 | Low | 126 Ų | 126 | 119.1 Ų | 119.1 | 82% | 0.818 | 68% | 0.678 | S | S | * | * | | | | -114.4 | 172 | 84.4 | -6.4 | 26.6 | 0 | 0 | 0 | 115.2 | | |
| 556 | G | 50.1 | Low | 57.6 | Low | 61 Ų | 61 | 117 Ų | 117 | 63% | 0.629 | 67% | 0.669 | S | S | * | * | | | trans | -75.3 | 168.2 | -175.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 557 | S | 60.9 | Low | 59.4 | Low | 85 Ų | 85 | 112.5 Ų | 112.5 | 59% | 0.594 | 65% | 0.654 | S | S | * | * | | | trans | -104 | 154.1 | -177.1 | -81 | 0 | 0 | 0 | 0 | 112.8 | L559 D560 | S557-L559 PolarHBondContact O-N 2.94Å; S557-D560 PolarHBondContact O-N 2.98Å; S557-D560 VanDerWaalsContact O-N 3.08Å |
| 558 | P | 69.3 | Low | 61.3 | Low | 86 Ų | 86 | 109.2 Ų | 109.2 | 56% | 0.558 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -64.4 | -6.1 | -173.4 | 25.5 | -36 | 0 | 0 | 0 | 115.6 | I562 | P558-I562 WeakPolarHBondContact O-CD1 3.21Å; P558-I562 VanDerWaalsContact O-CG1 3.3Å; P558-I562 WeakPolarHBondContact O-CG1 3.35Å; P558-I562 PolarHBondContact O-N 3.27Å |
| 559 | L | 71.1 | Confident | 63 | Low | 128 Ų | 128 | 102.5 Ų | 102.5 | 67% | 0.67 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -72.4 | -33.7 | 170.3 | -89.4 | 80.6 | 0 | 0 | 0 | 112.8 | S557 E561 I562 V563 | S557-L559 PolarHBondContact O-N 2.94Å; L559-E561 VanDerWaalsContact C-N 3.3Å; L559-E561 PolarHBondContact O-N 2.77Å; L559-I562 PolarHBondContact O-N 3.36Å; L559-V563 WeakPolarHBondContact O-CB 3.5Å; L559-V563 VanDerWaalsContact O-CG2 3.3Å; L559-V563 WeakPolarHBondContact O-CG2 3.27Å; L559-V563 PolarHBondContact O-N 3.26Å |
| 560 | D | 75.3 | Confident | 64.7 | Low | 114 Ų | 114 | 100.6 Ų | 100.6 | 61% | 0.61 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -64.2 | -39.9 | 175.8 | -85 | -15.4 | 0 | 0 | 0 | 110.4 | S557 I562 V563 D564 | S557-D560 PolarHBondContact O-N 2.98Å; S557-D560 VanDerWaalsContact O-N 3.08Å; D560-I562 PolarHBondContact O-N 2.91Å; D560-V563 PolarHBondContact O-N 3.08Å; D560-V563 VanDerWaalsContact O-N 3.16Å; D560-D564 PolarHBondContact O-N 3.05Å |
| 561 | E | 78.2 | Confident | 66.1 | Low | 147 Ų | 147 | 102.7 Ų | 102.7 | 69% | 0.687 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -65 | -38.3 | 177.3 | -164.2 | 165.3 | -141.8 | 0 | 0 | 111.6 | L559 E565 | L559-E561 VanDerWaalsContact C-N 3.3Å; L559-E561 PolarHBondContact O-N 2.77Å; E561-E565 PolarHBondContact O-N 3.45Å |
| 562 | I | 78.9 | Confident | 67.7 | Low | 89 Ų | 89 | 106.5 Ų | 106.5 | 46% | 0.456 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -67.9 | -36.9 | 171.7 | -67.3 | 164.6 | 0 | 0 | 0 | 111.6 | P558 L559 D560 L566 | P558-I562 WeakPolarHBondContact O-CD1 3.21Å; P558-I562 VanDerWaalsContact O-CG1 3.3Å; P558-I562 WeakPolarHBondContact O-CG1 3.35Å; P558-I562 PolarHBondContact O-N 3.27Å; L559-I562 PolarHBondContact O-N 3.36Å; D560-I562 PolarHBondContact O-N 2.91Å; I562-L566 HydrophobicContact CG2-CD1 3.98Å; I562-L566 HydrophobicContact CG2-CG 4.43Å; I562-L566 WeakPolarHBondContact O-CB 3.48Å; I562-L566 VanDerWaalsContact O-CG 3.23Å; I562-L566 WeakPolarHBondContact O-CG 3.34Å; I562-L566 PolarHBondContact O-N 3.12Å |
| 563 | V | 84.1 | Confident | 68.9 | Low | 87 Ų | 87 | 108 Ų | 108 | 53% | 0.527 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -69 | -39.8 | 177.1 | 168.1 | 0 | 0 | 0 | 0 | 111.2 | L559 D560 L566 A567 | L559-V563 WeakPolarHBondContact O-CB 3.5Å; L559-V563 VanDerWaalsContact O-CG2 3.3Å; L559-V563 WeakPolarHBondContact O-CG2 3.27Å; L559-V563 PolarHBondContact O-N 3.26Å; D560-V563 PolarHBondContact O-N 3.08Å; D560-V563 VanDerWaalsContact O-N 3.16Å; V563-L566 PolarHBondContact O-N 3.06Å; V563-A567 WeakPolarHBondContact O-CB 3.41Å; V563-A567 PolarHBondContact O-N 3.32Å |
| 564 | D | 83.5 | Confident | 69.2 | Low | 113 Ų | 113 | 109 Ų | 109 | 60% | 0.604 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -70.6 | -35.7 | 173.8 | -92.8 | -11.7 | 0 | 0 | 0 | 112.4 | D560 T568 | D560-D564 PolarHBondContact O-N 3.05Å; D564-T568 VanDerWaalsContact O-CB 3.28Å; D564-T568 WeakPolarHBondContact O-CB 3.41Å; D564-T568 PolarHBondContact O-N 3.23Å; D564-T568 PolarHBondContact O-OG1 3.31Å |
| 565 | E | 82.5 | Confident | 69.7 | Low | 127 Ų | 127 | 110.5 Ų | 110.5 | 59% | 0.593 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -61.3 | -46.5 | 167.9 | -83.1 | -151.1 | 142 | 0 | 0 | 111.1 | E561 T568 I569 | E561-E565 PolarHBondContact O-N 3.45Å; E565-T568 CarbonylContact O-C 3.59Å; E565-T568 WeakPolarHBondContact O-CB 3.22Å; E565-T568 PolarHBondContact O-N 2.61Å; E565-I569 WeakPolarHBondContact O-CB 3.47Å; E565-I569 WeakPolarHBondContact O-CD1 3.28Å; E565-I569 WeakPolarHBondContact O-CG1 3.48Å; E565-I569 PolarHBondContact O-N 3.26Å |
| 566 | L | 77.6 | Confident | 70 | Confident | 90 Ų | 90 | 111.6 Ų | 111.6 | 47% | 0.471 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -65 | -40.9 | 178.4 | -74.2 | 170.7 | 0 | 0 | 0 | 112.1 | I562 V563 T568 I569 I570 | I562-L566 HydrophobicContact CG2-CD1 3.98Å; I562-L566 HydrophobicContact CG2-CG 4.43Å; I562-L566 WeakPolarHBondContact O-CB 3.48Å; I562-L566 VanDerWaalsContact O-CG 3.23Å; I562-L566 WeakPolarHBondContact O-CG 3.34Å; I562-L566 PolarHBondContact O-N 3.12Å; V563-L566 PolarHBondContact O-N 3.06Å; L566-T568 VanDerWaalsContact C-N 3.31Å; L566-T568 PolarHBondContact O-N 3.39Å; L566-I569 PolarHBondContact O-N 3.4Å; L566-I570 WeakPolarHBondContact O-CB 3.47Å; L566-I570 WeakPolarHBondContact O-CD1 3.37Å; L566-I570 VanDerWaalsContact O-CG1 3.23Å; L566-I570 WeakPolarHBondContact O-CG1 3.29Å; L566-I570 PolarHBondContact O-N 3.37Å |
| 567 | A | 78.9 | Confident | 70.1 | Confident | 39 Ų | 39 | 113.4 Ų | 113.4 | 32% | 0.322 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -62.2 | -39.7 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | V563 N571 | V563-A567 WeakPolarHBondContact O-CB 3.41Å; V563-A567 PolarHBondContact O-N 3.32Å; A567-N571 PolarHBondContact O-N 3.15Å; A567-N571 VanDerWaalsContact O-N 3.13Å; A567-N571 PolarHBondContact O-ND2 3.47Å |
| 568 | T | 81.1 | Confident | 69.4 | Low | 75 Ų | 75 | 116.7 Ų | 116.7 | 46% | 0.46 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -65.1 | -45.8 | 174 | -60 | 0 | 0 | 0 | 0 | 111.1 | D564 E565 L566 I570 N571 Q572 | D564-T568 VanDerWaalsContact O-CB 3.28Å; D564-T568 WeakPolarHBondContact O-CB 3.41Å; D564-T568 PolarHBondContact O-N 3.23Å; D564-T568 PolarHBondContact O-OG1 3.31Å; E565-T568 CarbonylContact O-C 3.59Å; E565-T568 WeakPolarHBondContact O-CB 3.22Å; E565-T568 PolarHBondContact O-N 2.61Å; L566-T568 VanDerWaalsContact C-N 3.31Å; L566-T568 PolarHBondContact O-N 3.39Å; T568-I570 PolarHBondContact O-N 2.94Å; T568-N571 PolarHBondContact O-N 3.31Å; T568-Q572 WeakPolarHBondContact O-CB 3.38Å; T568-Q572 PolarHBondContact O-N 3.05Å |
| 569 | I | 74.8 | Confident | 68.6 | Low | 69 Ų | 69 | 120 Ų | 120 | 35% | 0.354 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -60.4 | -45.2 | 177.9 | -74.4 | 162.7 | 0 | 0 | 0 | 111.2 | E565 L566 N571 Q572 Q573 | E565-I569 WeakPolarHBondContact O-CB 3.47Å; E565-I569 WeakPolarHBondContact O-CD1 3.28Å; E565-I569 WeakPolarHBondContact O-CG1 3.48Å; E565-I569 PolarHBondContact O-N 3.26Å; L566-I569 PolarHBondContact O-N 3.4Å; I569-N571 VanDerWaalsContact C-N 3.34Å; I569-N571 PolarHBondContact O-N 3.1Å; I569-Q572 PolarHBondContact O-N 3.26Å; I569-Q572 VanDerWaalsContact O-N 3.12Å; I569-Q573 HydrophobicContact CG2-CG 4.18Å; I569-Q573 WeakPolarHBondContact O-CB 3.41Å; I569-Q573 WeakPolarHBondContact O-CG 3.26Å; I569-Q573 PolarHBondContact O-N 2.98Å |
| 570 | I | 70.4 | Confident | 67.2 | Low | 124 Ų | 124 | 122.6 Ų | 122.6 | 64% | 0.636 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -61 | -43 | 177.2 | -71.5 | 163.9 | 0 | 0 | 0 | 111 | L566 T568 Q572 | L566-I570 WeakPolarHBondContact O-CB 3.47Å; L566-I570 WeakPolarHBondContact O-CD1 3.37Å; L566-I570 VanDerWaalsContact O-CG1 3.23Å; L566-I570 WeakPolarHBondContact O-CG1 3.29Å; L566-I570 PolarHBondContact O-N 3.37Å; T568-I570 PolarHBondContact O-N 2.94Å; I570-Q572 VanDerWaalsContact C-N 3.31Å; I570-Q572 PolarHBondContact O-N 3.25Å |
| 571 | N | 67 | Low | 65.9 | Low | 142 Ų | 142 | 126.5 Ų | 126.5 | 76% | 0.759 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -72 | -20.7 | 176.1 | -76.4 | -66.1 | 0 | 0 | 0 | 113.7 | A567 T568 I569 | A567-N571 PolarHBondContact O-N 3.15Å; A567-N571 VanDerWaalsContact O-N 3.13Å; A567-N571 PolarHBondContact O-ND2 3.47Å; T568-N571 PolarHBondContact O-N 3.31Å; I569-N571 VanDerWaalsContact C-N 3.34Å; I569-N571 PolarHBondContact O-N 3.1Å |
| 572 | Q | 69.2 | Low | 64.2 | Low | 148 Ų | 148 | 127.8 Ų | 127.8 | 69% | 0.692 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -102.4 | -17.5 | -174.7 | -149.6 | 161.4 | 115.3 | 0 | 0 | 113.4 | T568 I569 I570 | T568-Q572 WeakPolarHBondContact O-CB 3.38Å; T568-Q572 PolarHBondContact O-N 3.05Å; I569-Q572 PolarHBondContact O-N 3.26Å; I569-Q572 VanDerWaalsContact O-N 3.12Å; I570-Q572 VanDerWaalsContact C-N 3.31Å; I570-Q572 PolarHBondContact O-N 3.25Å |
| 573 | Q | 62.4 | Low | 62.5 | Low | 139 Ų | 139 | 129 Ų | 129 | 65% | 0.65 | 65% | 0.653 | S | S | * | * | S | Bend | trans | -103.2 | 49.1 | -177.9 | -63 | -164.5 | 16.2 | 0 | 0 | 115.3 | I569 L575 | I569-Q573 HydrophobicContact CG2-CG 4.18Å; I569-Q573 WeakPolarHBondContact O-CB 3.41Å; I569-Q573 WeakPolarHBondContact O-CG 3.26Å; I569-Q573 PolarHBondContact O-N 2.98Å; Q573-L575 PolarHBondContact O-N 2.67Å; Q573-L575 VanDerWaalsContact O-N 3.15Å |
| 574 | R | 49.6 | Very low | 60.7 | Low | 197 Ų | 197 | 130.9 Ų | 130.9 | 74% | 0.743 | 66% | 0.66 | S | S | * | * | | | trans | 61.9 | 28.7 | 137.8 | -65.4 | -174.1 | 172.2 | 176.8 | -1.8 | 120.1 | D576 T577 | R574-D576 PolarHBondContact O-N 3.11Å; R574-D576 VanDerWaalsContact O-N 3.16Å; R574-T577 WeakPolarHBondContact O-CB 3.41Å; R574-T577 PolarHBondContact O-N 3.47Å; R574-T577 VanDerWaalsContact O-N 3.09Å; R574-T577 PolarHBondContact O-OG1 3.26Å |
| 575 | L | 51.7 | Low | 58.6 | Low | 134 Ų | 134 | 131.3 Ų | 131.3 | 70% | 0.702 | 67% | 0.67 | S | S | * | * | G | 310 helix | trans | -59.5 | -24 | 170.5 | -84.2 | 169.9 | 0 | 0 | 0 | 113.7 | Q573 T577 L578 | Q573-L575 PolarHBondContact O-N 2.67Å; Q573-L575 VanDerWaalsContact O-N 3.15Å; L575-T577 PolarHBondContact O-N 2.78Å; L575-L578 PolarHBondContact O-N 3.29Å |
| 576 | D | 52.8 | Low | 56.6 | Low | 150 Ų | 150 | 133.1 Ų | 133.1 | 80% | 0.802 | 68% | 0.678 | S | S | * | * | G | 310 helix | trans | -56.5 | -13.6 | 171.7 | -63.6 | -52.8 | 0 | 0 | 0 | 115.2 | R574 | R574-D576 PolarHBondContact O-N 3.11Å; R574-D576 VanDerWaalsContact O-N 3.16Å |
| 577 | T | 52.8 | Low | 54.9 | Low | 99 Ų | 99 | 136.1 Ų | 136.1 | 61% | 0.607 | 69% | 0.691 | S | S | * | * | G | 310 helix | trans | -85.9 | -18.4 | -177.1 | -35.8 | 0 | 0 | 0 | 0 | 112.8 | R574 L575 | R574-T577 WeakPolarHBondContact O-CB 3.41Å; R574-T577 PolarHBondContact O-N 3.47Å; R574-T577 VanDerWaalsContact O-N 3.09Å; R574-T577 PolarHBondContact O-OG1 3.26Å; L575-T577 PolarHBondContact O-N 2.78Å |
| 578 | L | 47.1 | Very low | 53.5 | Low | 153 Ų | 153 | 140.8 Ų | 140.8 | 80% | 0.801 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.9 | -25.2 | -168.1 | -146.5 | 73.4 | 0 | 0 | 0 | 115 | L575 K580 | L575-L578 PolarHBondContact O-N 3.29Å; L578-K580 PolarHBondContact O-N 2.77Å |
| 579 | I | 52.2 | Low | 52 | Low | 155 Ų | 155 | 145.1 Ų | 145.1 | 80% | 0.795 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -78.3 | -1.8 | 178.7 | -59.1 | 176.8 | 0 | 0 | 0 | 111.5 | K581 | I579-K581 VanDerWaalsContact C-N 3.35Å; I579-K581 PolarHBondContact O-N 3.38Å |
| 580 | K | 40.5 | Very low | 50.4 | Low | 183 Ų | 183 | 148 Ų | 148 | 80% | 0.796 | 75% | 0.746 | S | S | * | * | | | trans | -82.1 | 66.6 | -173.3 | -156.9 | 165.1 | -171.3 | 167.4 | 0 | 113.5 | L578 | L578-K580 PolarHBondContact O-N 2.77Š|
| 581 | K | 48.2 | Very low | 49.4 | Very low | 196 Ų | 196 | 149.8 Ų | 149.8 | 85% | 0.852 | 75% | 0.751 | S | S | * | * | | | trans | -117.3 | 118.1 | 164.7 | -85.9 | -168.2 | 172.8 | -176.5 | 0 | 112.5 | I579 | I579-K581 VanDerWaalsContact C-N 3.35Å; I579-K581 PolarHBondContact O-N 3.38Å |
| 582 | Q | 43.4 | Very low | 48.3 | Very low | 175 Ų | 175 | 147.9 Ų | 147.9 | 82% | 0.818 | 75% | 0.749 | S | S | * | * | | | trans | -46.3 | 137.8 | 176.3 | 171.6 | -175.5 | -14.4 | 0 | 0 | 115.1 | | |
| 583 | P | 43.7 | Very low | 46.9 | Very low | 113 Ų | 113 | 145 Ų | 145 | 73% | 0.734 | 75% | 0.751 | S | S | * | * | | | | -133.2 | 133.8 | 129.6 | 35.9 | -25.4 | 0 | 0 | 0 | 115 | | |
| 584 | D | 44.3 | Very low | 46.5 | Very low | 127 Ų | 127 | 146.2 Ų | 146.2 | 68% | 0.679 | 75% | 0.754 | S | S | * | * | | | trans | 38.5 | 117.1 | 150.6 | -55.9 | -16.8 | 0 | 0 | 0 | 123.8 | Q586 | D584-Q586 PolarHBondContact O-N 3.39Š|
| 585 | P | 41.2 | Very low | 46.5 | Very low | 123 Ų | 123 | 142.9 Ų | 142.9 | 80% | 0.799 | 76% | 0.758 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.1 | 59.3 | 178.3 | 39.5 | -37 | 0 | 0 | 0 | 113.7 | | |
| 586 | Q | 40.4 | Very low | 46 | Very low | 165 Ų | 165 | 144 Ų | 144 | 77% | 0.771 | 76% | 0.764 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -134.1 | -5.9 | 175.1 | -77 | -163.3 | -25.8 | 0 | 0 | 116.6 | D584 | D584-Q586 PolarHBondContact O-N 3.39Š|
| 587 | M | 41.3 | Very low | 45.8 | Very low | 152 Ų | 152 | 148.3 Ų | 148.3 | 75% | 0.749 | 77% | 0.769 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.8 | -2.9 | -178.1 | -68.4 | -89.8 | 68.3 | 0 | 0 | 115.1 | I590 | M587-I590 HydrophobicContact CE-CD1 4.48Š|
| 588 | V | 49.1 | Very low | 45.5 | Very low | 138 Ų | 138 | 150.1 Ų | 150.1 | 84% | 0.836 | 78% | 0.775 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.5 | -19.8 | -174 | -179.7 | 0 | 0 | 0 | 0 | 113.2 | | |
| 589 | E | 49.9 | Very low | 45.7 | Very low | 165 Ų | 165 | 146.8 Ų | 146.8 | 77% | 0.771 | 77% | 0.769 | S | S | * | * | S | Bend | trans | -88.1 | -20.9 | -167.5 | -161.3 | 163.2 | -170.3 | 0 | 0 | 114.2 | S592 | E589-S592 PolarHBondContact O-OG 2.87Å; E589-S592 VanDerWaalsContact O-OG 3.06Å |
| 590 | I | 41 | Very low | 45.3 | Very low | 130 Ų | 130 | 145.5 Ų | 145.5 | 67% | 0.667 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -107.4 | -16.1 | -160.9 | -35.6 | -177.7 | 0 | 0 | 0 | 114.4 | M587 | M587-I590 HydrophobicContact CE-CD1 4.48Š|
| 591 | E | 49 | Very low | 45.7 | Very low | 162 Ų | 162 | 146.7 Ų | 146.7 | 76% | 0.757 | 77% | 0.77 | S | S | * | * | S | Bend | trans | -90 | 0.4 | 176.5 | -140.8 | -168.4 | 153.5 | 0 | 0 | 114.2 | A593 K594 | E591-A593 PolarHBondContact O-N 3.42Å; E591-K594 IonicContact OE1-NZ 2.62Å |
| 592 | S | 43.5 | Very low | 45.3 | Very low | 101 Ų | 101 | 141.7 Ų | 141.7 | 71% | 0.706 | 76% | 0.76 | S | S | * | * | | | trans | -73 | -5.5 | -175.9 | 59.6 | 0 | 0 | 0 | 0 | 115 | E589 K594 | E589-S592 PolarHBondContact O-OG 2.87Å; E589-S592 VanDerWaalsContact O-OG 3.06Å; S592-K594 PolarHBondContact O-N 3.1Å |
| 593 | A | 40.2 | Very low | 45.2 | Very low | 89 Ų | 89 | 140.9 Ų | 140.9 | 74% | 0.736 | 76% | 0.759 | S | S | * | * | | | trans | -99.9 | 80.2 | -169.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | E591 | E591-A593 PolarHBondContact O-N 3.42Š|
| 594 | K | 54 | Low | 45.2 | Very low | 164 Ų | 164 | 141.4 Ų | 141.4 | 71% | 0.713 | 76% | 0.76 | S | S | * | * | | | trans | -124.7 | 147.9 | 166.4 | -83.4 | 164.8 | -174.8 | 145.3 | 0 | 111.2 | E591 S592 | E591-K594 IonicContact OE1-NZ 2.62Å; S592-K594 PolarHBondContact O-N 3.1Å |
| 595 | P | 49.4 | Very low | 45.1 | Very low | 127 Ų | 127 | 141.3 Ų | 141.3 | 83% | 0.825 | 76% | 0.764 | S | S | * | * | | | trans | -75.6 | 142.2 | -151.9 | 26.8 | -35.6 | 0 | 0 | 0 | 115.6 | R597 | P595-R597 PolarHBondContact O-N 2.88Š|
| 596 | N | 41.7 | Very low | 45.1 | Very low | 157 Ų | 157 | 139.8 Ų | 139.8 | 84% | 0.84 | 76% | 0.762 | S | S | * | * | | | trans | -72.7 | 112.8 | -172.3 | -159.6 | -35.5 | 0 | 0 | 0 | 112.3 | | |
| 597 | R | 48.6 | Very low | 45.1 | Very low | 240 Ų | 240 | 140.8 Ų | 140.8 | 91% | 0.906 | 76% | 0.764 | S | S | * | * | | | trans | -111 | 67.4 | -177.3 | -159.7 | 179.9 | -169.7 | -174.4 | 3.9 | 112.9 | P595 A599 | P595-R597 PolarHBondContact O-N 2.88Å; R597-A599 PolarHBondContact O-N 3.01Å |
| 598 | L | 47.5 | Very low | 45.1 | Very low | 137 Ų | 137 | 138.7 Ų | 138.7 | 72% | 0.717 | 76% | 0.764 | S | S | * | * | | | trans | 25.8 | 83.5 | 162.6 | -63.2 | 177.8 | 0 | 0 | 0 | 116.5 | N600 | L598-N600 PolarHBondContact O-N 2.71Å; L598-N600 VanDerWaalsContact O-N 3.12Å |
| 599 | A | 49.5 | Very low | 44.5 | Very low | 84 Ų | 84 | 138.7 Ų | 138.7 | 69% | 0.694 | 77% | 0.765 | S | S | * | * | | | trans | -78.2 | 17.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | R597 F601 S602 | R597-A599 PolarHBondContact O-N 3.01Å; A599-F601 PolarHBondContact O-N 3.48Å; A599-S602 PolarHBondContact O-N 3.27Å |
| 600 | N | 45.2 | Very low | 44.1 | Very low | 128 Ų | 128 | 136 Ų | 136 | 68% | 0.684 | 76% | 0.76 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72 | 12.7 | -166.4 | -63.2 | 2.8 | 0 | 0 | 0 | 115.5 | L598 | L598-N600 PolarHBondContact O-N 2.71Å; L598-N600 VanDerWaalsContact O-N 3.12Å |
| 601 | F | 49.3 | Very low | 44.1 | Very low | 208 Ų | 208 | 141.8 Ų | 141.8 | 91% | 0.912 | 77% | 0.773 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -139 | 42.9 | 178.4 | -66.1 | -72 | 0 | 0 | 0 | 112.3 | A599 | A599-F601 PolarHBondContact O-N 3.48Š|
| 602 | S | 39.1 | Very low | 43.9 | Very low | 91 Ų | 91 | 139.7 Ų | 139.7 | 64% | 0.636 | 77% | 0.766 | S | S | * | * | | | trans | -96.1 | 115 | 167.9 | -167.8 | 0 | 0 | 0 | 0 | 110.4 | A599 T604 | A599-S602 PolarHBondContact O-N 3.27Å; S602-T604 PolarHBondContact O-N 3.49Å |
| 603 | I | 41.6 | Very low | 43.6 | Very low | 157 Ų | 157 | 138.5 Ų | 138.5 | 81% | 0.805 | 77% | 0.77 | S | S | * | * | | | trans | -88.2 | 98.5 | 170.3 | -60.2 | 175.7 | 0 | 0 | 0 | 107 | T605 | I603-T605 PolarHBondContact O-N 2.87Š|
| 604 | T | 44.2 | Very low | 43.5 | Very low | 125 Ų | 125 | 145 Ų | 145 | 77% | 0.767 | 78% | 0.775 | S | S | * | * | | | trans | -70.6 | 93.5 | -176.2 | 13.7 | 0 | 0 | 0 | 0 | 111.9 | S602 A606 | S602-T604 PolarHBondContact O-N 3.49Å; T604-A606 VanDerWaalsContact C-N 3.31Å; T604-A606 PolarHBondContact O-N 2.84Å |
| 605 | T | 41 | Very low | 42.9 | Very low | 124 Ų | 124 | 141.9 Ų | 141.9 | 76% | 0.761 | 78% | 0.78 | S | S | * | * | | | trans | -70.3 | 86.8 | 164.4 | 53.6 | 0 | 0 | 0 | 0 | 109.5 | I603 K607 | I603-T605 PolarHBondContact O-N 2.87Å; T605-K607 PolarHBondContact O-N 2.97Å; T605-K607 VanDerWaalsContact O-N 3.15Å |
| 606 | A | 41.4 | Very low | 42.5 | Very low | 91 Ų | 91 | 143.3 Ų | 143.3 | 75% | 0.752 | 78% | 0.781 | S | S | * | * | | | trans | -62.9 | 112.8 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | T604 S608 | T604-A606 VanDerWaalsContact C-N 3.31Å; T604-A606 PolarHBondContact O-N 2.84Å; A606-S608 PolarHBondContact O-N 2.8Å; A606-S608 VanDerWaalsContact O-N 3.07Å |
| 607 | K | 40 | Very low | 42.5 | Very low | 187 Ų | 187 | 139.6 Ų | 139.6 | 81% | 0.813 | 77% | 0.767 | S | S | * | * | | | trans | -73.6 | 92.5 | 169.9 | -69.7 | -171.8 | 176.8 | -171.8 | 0 | 108.9 | D111 T605 | D111-K607 IonicContact OD2-NZ 2.75Å; D111-K607 PolarHBondContact OD2-NZ 3.43Å; T605-K607 PolarHBondContact O-N 2.97Å; T605-K607 VanDerWaalsContact O-N 3.15Å |
| 608 | S | 41.5 | Very low | 41.9 | Very low | 108 Ų | 108 | 136.7 Ų | 136.7 | 76% | 0.755 | 76% | 0.762 | S | S | * | * | | | trans | -124.9 | 134 | 167.3 | -173.1 | 0 | 0 | 0 | 0 | 110.3 | A606 T610 | A606-S608 PolarHBondContact O-N 2.8Å; A606-S608 VanDerWaalsContact O-N 3.07Å; S608-T610 PolarHBondContact O-N 2.98Å |
| 609 | T | 37.4 | Very low | 41.6 | Very low | 137 Ų | 137 | 138.8 Ų | 138.8 | 84% | 0.84 | 77% | 0.768 | S | S | * | * | | | trans | -86.9 | 110.6 | -173.3 | 179.7 | 0 | 0 | 0 | 0 | 111.4 | | |
| 610 | T | 41.7 | Very low | 41.1 | Very low | 110 Ų | 110 | 139.8 Ų | 139.8 | 68% | 0.675 | 78% | 0.776 | S | S | * | * | | | trans | -157.7 | 144.9 | 161.3 | -74 | 0 | 0 | 0 | 0 | 108.8 | S608 I612 | S608-T610 PolarHBondContact O-N 2.98Å; T610-I612 HydrophobicContact CG2-CD1 3.78Å; T610-I612 PolarHBondContact O-N 3.12Å; T610-I612 VanDerWaalsContact O-N 3.16Å |
| 611 | R | 39.5 | Very low | 40.7 | Very low | 251 Ų | 251 | 137.5 Ų | 137.5 | 95% | 0.947 | 78% | 0.783 | S | S | * | * | | | trans | -77.3 | 98 | -175.7 | -50.6 | -179.4 | -160 | -174.2 | 5.5 | 110.9 | | |
| 612 | I | 46.2 | Very low | 40.3 | Very low | 118 Ų | 118 | 132.9 Ų | 132.9 | 61% | 0.605 | 78% | 0.783 | S | S | * | * | | | trans | -120.3 | 93.4 | 163.1 | -57.3 | 94.3 | 0 | 0 | 0 | 109.2 | T610 R614 | T610-I612 HydrophobicContact CG2-CD1 3.78Å; T610-I612 PolarHBondContact O-N 3.12Å; T610-I612 VanDerWaalsContact O-N 3.16Å; I612-R614 HydrophobicContact CG2-CG 4.31Å |
| 613 | G | 36.3 | Very low | 40.1 | Very low | 76 Ų | 76 | 134.7 Ų | 134.7 | 78% | 0.784 | 80% | 0.796 | S | S | * | * | | | trans | -76.2 | 135.2 | 159.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 614 | R | 39.4 | Very low | 39.8 | Very low | 224 Ų | 224 | 131 Ų | 131 | 85% | 0.845 | 80% | 0.796 | S | S | * | * | | | trans | -120.5 | 103.9 | 160.3 | -78.6 | -169.4 | 170.4 | 109.7 | 1.1 | 108.2 | I612 | I612-R614 HydrophobicContact CG2-CG 4.31Š|
| 615 | A | 39.8 | Very low | 39.4 | Very low | 99 Ų | 99 | 129.2 Ų | 129.2 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -71.3 | 151.4 | 166.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 616 | D | 42.2 | Very low | 39.1 | Very low | 157 Ų | 157 | 126.6 Ų | 126.6 | 84% | 0.84 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -89.1 | 152.8 | 142.9 | -152.2 | -20.7 | 0 | 0 | 0 | 108.1 | | |
| 617 | S | 41 | Very low | 38.9 | Very low | 80 Ų | 80 | 127.8 Ų | 127.8 | 56% | 0.559 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -82.7 | 157.7 | -160.3 | -167.3 | 0 | 0 | 0 | 0 | 113.6 | | |
| 618 | F | 36.5 | Very low | 38.5 | Very low | 179 Ų | 179 | 126.6 Ų | 126.6 | 79% | 0.785 | 80% | 0.796 | S | S | * | * | | | | 177.2 | 75.3 | 122.3 | -79.9 | -46.6 | 0 | 0 | 0 | 112.6 | | |
| 619 | Q | 40.5 | Very low | 38.5 | Very low | 181 Ų | 181 | 128.4 Ų | 128.4 | 85% | 0.846 | 80% | 0.802 | S | S | * | * | | | trans | -147.8 | 111 | 154.9 | -117.2 | 174.8 | 21.2 | 0 | 0 | 111.6 | | |
| 620 | A | 40.4 | Very low | 38.4 | Very low | 104 Ų | 104 | 126.3 Ų | 126.3 | 86% | 0.86 | 80% | 0.798 | S | S | * | * | | | trans | -78 | 133.7 | 163.1 | 0 | 0 | 0 | 0 | 0 | 108.5 | | |
| 621 | G | 36.8 | Very low | 38.1 | Very low | 81 Ų | 81 | 126.2 Ų | 126.2 | 84% | 0.835 | 80% | 0.802 | S | S | * | * | | | trans | -90.7 | 167.7 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 622 | A | 39.2 | Very low | 38 | Very low | 111 Ų | 111 | 119.9 Ų | 119.9 | 92% | 0.917 | 80% | 0.796 | S | S | * | * | | | trans | -133.7 | 132.6 | 155 | 0 | 0 | 0 | 0 | 0 | 107 | | |
| 623 | S | 35.8 | Very low | 37.5 | Very low | 129 Ų | 129 | 117.9 Ų | 117.9 | 90% | 0.902 | 81% | 0.805 | S | S | * | * | | | trans | -125.5 | 162.8 | -179.3 | 58.3 | 0 | 0 | 0 | 0 | 110.8 | | |
| 624 | G | 36 | Very low | 37.6 | Very low | 79 Ų | 79 | 126.1 Ų | 126.1 | 81% | 0.814 | 81% | 0.813 | S | S | * | * | | | trans | 111.2 | 105 | -167 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 625 | G | 34.9 | Very low | 37.5 | Very low | 87 Ų | 87 | 119.6 Ų | 119.6 | 90% | 0.897 | 81% | 0.807 | S | S | * | * | | | cis | 102.8 | 111.5 | 2.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 626 | G | 34.1 | Very low | 37.5 | Very low | 69 Ų | 69 | 123 Ų | 123 | 71% | 0.711 | 81% | 0.81 | S | S | * | * | | | trans | 160 | 107.1 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 627 | T | 37.8 | Very low | 37.3 | Very low | 117 Ų | 117 | 120.7 Ų | 120.7 | 72% | 0.718 | 81% | 0.806 | S | S | * | * | | | trans | 56.5 | 106 | 136.3 | -49.2 | 0 | 0 | 0 | 0 | 119.9 | | |
| 628 | E | 32.6 | Very low | 37.2 | Very low | 162 Ų | 162 | 124.4 Ų | 124.4 | 76% | 0.757 | 82% | 0.815 | S | S | * | * | | | | 24.3 | 114.3 | 125.5 | -54.4 | 139.5 | -111.1 | 0 | 0 | 118.8 | | |
| 629 | V | 40.9 | Very low | 37.4 | Very low | 145 Ų | 145 | 127 Ų | 127 | 88% | 0.879 | 82% | 0.819 | S | S | * | * | | | | -168.8 | 148.8 | 114.2 | -94 | 0 | 0 | 0 | 0 | 112.7 | | |
| 630 | A | 33.9 | Very low | 37.3 | Very low | 93 Ų | 93 | 123.3 Ų | 123.3 | 77% | 0.769 | 81% | 0.813 | S | S | * | * | | | trans | 16.6 | 137 | 152.1 | 0 | 0 | 0 | 0 | 0 | 123.4 | | |
| 631 | S | 36.8 | Very low | 37 | Very low | 109 Ų | 109 | 122.8 Ų | 122.8 | 76% | 0.762 | 80% | 0.803 | S | S | * | * | | | trans | 88.1 | 130.3 | 139.2 | -153.8 | 0 | 0 | 0 | 0 | 120.7 | | |
| 632 | S | 36.4 | Very low | 36.9 | Very low | 117 Ų | 117 | 123.8 Ų | 123.8 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | | | trans | 50.5 | 106.1 | 144.3 | -52.8 | 0 | 0 | 0 | 0 | 119.8 | | |
| 633 | G | 36.1 | Very low | 36.9 | Very low | 77 Ų | 77 | 127.7 Ų | 127.7 | 79% | 0.794 | 80% | 0.796 | S | S | * | * | | | trans | -136.7 | -37 | -174.7 | 0 | 0 | 0 | 0 | 0 | 119.9 | | |
| 634 | R | 38.7 | Very low | 37.1 | Very low | 249 Ų | 249 | 126.9 Ų | 126.9 | 94% | 0.94 | 79% | 0.785 | S | S | * | * | | | trans | 67.7 | 156.7 | 172 | -168.8 | -178.6 | 170.1 | -151.9 | -0.6 | 117.6 | | |
| 635 | A | 37.6 | Very low | 37.2 | Very low | 87 Ų | 87 | 128.7 Ų | 128.7 | 72% | 0.719 | 79% | 0.786 | S | S | * | * | | | trans | 66.7 | 86.6 | 162.6 | 0 | 0 | 0 | 0 | 0 | 119.8 | | |
| 636 | L | 40.4 | Very low | 37.3 | Very low | 169 Ų | 169 | 132.5 Ų | 132.5 | 89% | 0.885 | 79% | 0.785 | S | S | * | * | | | trans | -70.8 | 136 | 139.1 | -69 | 168.6 | 0 | 0 | 0 | 109.2 | | |
| 637 | S | 37.9 | Very low | 37.6 | Very low | 109 Ų | 109 | 136.8 Ų | 136.8 | 76% | 0.762 | 79% | 0.791 | S | S | * | * | | | trans | -149.6 | 101.7 | 164.1 | -167.4 | 0 | 0 | 0 | 0 | 107.9 | | |
| 638 | H | 38.1 | Very low | 37.5 | Very low | 159 Ų | 159 | 139.9 Ų | 139.9 | 74% | 0.736 | 80% | 0.795 | S | S | * | * | | | | 65.6 | 109.8 | 80.5 | -73.4 | -68.7 | 0 | 0 | 0 | 115.2 | | |
| 639 | R | 40.2 | Very low | 37.8 | Very low | 234 Ų | 234 | 139.3 Ų | 139.3 | 88% | 0.883 | 80% | 0.796 | S | S | * | * | | | trans | 57.6 | 119.5 | 138.8 | -88 | -179.9 | 156.9 | -137.6 | -2.3 | 120.5 | | |
| 640 | S | 38.2 | Very low | 37.6 | Very low | 102 Ų | 102 | 139.9 Ų | 139.9 | 71% | 0.713 | 79% | 0.789 | S | S | * | * | | | | 89.4 | 140.5 | 125.8 | -148.3 | 0 | 0 | 0 | 0 | 120 | | |
| 641 | S | 34.4 | Very low | 37.9 | Very low | 93 Ų | 93 | 143.9 Ų | 143.9 | 65% | 0.65 | 79% | 0.792 | S | S | * | * | | | trans | 11.9 | 115 | 152.5 | 52 | 0 | 0 | 0 | 0 | 119.9 | | |
| 642 | S | 34.6 | Very low | 37.7 | Very low | 103 Ų | 103 | 146 Ų | 146 | 72% | 0.72 | 80% | 0.795 | S | S | * | * | | | trans | 26.8 | 111.6 | 132.1 | 58.9 | 0 | 0 | 0 | 0 | 118.8 | | |
| 643 | H | 39.7 | Very low | 37.8 | Very low | 193 Ų | 193 | 143.5 Ų | 143.5 | 89% | 0.894 | 79% | 0.788 | S | S | * | * | | | | -148.4 | 154.9 | 128.7 | -118.5 | -80.5 | 0 | 0 | 0 | 113.2 | | |
| 644 | V | 39.6 | Very low | 37.9 | Very low | 111 Ų | 111 | 148.9 Ų | 148.9 | 67% | 0.673 | 80% | 0.796 | S | S | * | * | | | trans | -62.8 | 141 | -173.9 | 176 | 0 | 0 | 0 | 0 | 113 | | |
| 645 | S | 39 | Very low | 37.8 | Very low | 117 Ų | 117 | 140.1 Ų | 140.1 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | | | trans | -151.3 | 80.8 | 148.8 | -81 | 0 | 0 | 0 | 0 | 110.6 | N647 | S645-N647 PolarHBondContact O-N 2.75Š|
| 646 | L | 37 | Very low | 38 | Very low | 167 Ų | 167 | 144.8 Ų | 144.8 | 87% | 0.874 | 80% | 0.795 | S | S | * | * | | | trans | -70.1 | 113.4 | 161.6 | -80.8 | 167.2 | 0 | 0 | 0 | 108.2 | | |
| 647 | N | 39.5 | Very low | 37.7 | Very low | 159 Ų | 159 | 140 Ų | 140 | 85% | 0.85 | 79% | 0.787 | S | S | * | * | | | trans | -128 | 146.7 | 164.6 | -113.8 | -28.8 | 0 | 0 | 0 | 110.4 | S645 | S645-N647 PolarHBondContact O-N 2.75Š|
| 648 | K | 36.6 | Very low | 37.5 | Very low | 182 Ų | 182 | 143.7 Ų | 143.7 | 79% | 0.791 | 79% | 0.792 | S | S | * | * | | | trans | -75.2 | 157 | -167.1 | -55.8 | 174.1 | -177.3 | 178.7 | 0 | 112.6 | | |
| 649 | L | 37.4 | Very low | 37.4 | Very low | 151 Ų | 151 | 147.3 Ų | 147.3 | 79% | 0.791 | 80% | 0.799 | S | S | * | * | | | trans | 141.2 | 89.1 | 141.7 | -156.2 | 75.2 | 0 | 0 | 0 | 106.7 | | |
| 650 | E | 37.7 | Very low | 37.3 | Very low | 157 Ų | 157 | 146.1 Ų | 146.1 | 73% | 0.734 | 80% | 0.795 | S | S | * | * | | | | 66.6 | 144.2 | 74.9 | -62.5 | 178.9 | -136.3 | 0 | 0 | 113.7 | | |
| 651 | Q | 39.6 | Very low | 37.5 | Very low | 176 Ų | 176 | 146.8 Ų | 146.8 | 82% | 0.822 | 80% | 0.799 | S | S | * | * | | | trans | 81.3 | 114.7 | 173.6 | -155.6 | 164.2 | 73.1 | 0 | 0 | 117.9 | | |
| 652 | N | 34.1 | Very low | 37.5 | Very low | 154 Ų | 154 | 148.5 Ų | 148.5 | 82% | 0.824 | 81% | 0.811 | S | S | * | * | | | trans | 28.7 | 130.4 | 144.9 | -46.5 | -12.9 | 0 | 0 | 0 | 119.7 | | |
| 653 | G | 37.8 | Very low | 38.3 | Very low | 65 Ų | 65 | 148.3 Ų | 148.3 | 67% | 0.67 | 81% | 0.81 | S | S | * | * | | | cis | 139.1 | 158.2 | 4.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 654 | I | 38.2 | Very low | 38.3 | Very low | 189 Ų | 189 | 148 Ų | 148 | 97% | 0.969 | 81% | 0.809 | S | S | * | * | | | trans | 67.8 | 121.5 | 178.1 | -46.5 | 172.2 | 0 | 0 | 0 | 114.6 | | |
| 655 | G | 36.8 | Very low | 38.7 | Very low | 66 Ų | 66 | 150.7 Ų | 150.7 | 68% | 0.68 | 82% | 0.819 | S | S | * | * | | | trans | 144.4 | 93.4 | 161.9 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 656 | L | 42.2 | Very low | 39 | Very low | 184 Ų | 184 | 149.2 Ų | 149.2 | 96% | 0.963 | 81% | 0.809 | S | S | * | * | | | trans | 36.2 | 126.4 | 143 | -52.1 | 174.3 | 0 | 0 | 0 | 120.3 | | |
| 657 | G | 33 | Very low | 39.4 | Very low | 68 Ų | 68 | 149.8 Ų | 149.8 | 70% | 0.701 | 81% | 0.811 | S | S | * | * | | | trans | 134.3 | 111.3 | 144.4 | 0 | 0 | 0 | 0 | 0 | 118.4 | | |
| 658 | Q | 33.6 | Very low | 40.2 | Very low | 187 Ų | 187 | 145.6 Ų | 145.6 | 87% | 0.874 | 81% | 0.805 | S | S | * | * | | | trans | 12.3 | 110.1 | 144.8 | -61.8 | 152.8 | -91 | 0 | 0 | 119.2 | | |
| 659 | R | 35.8 | Very low | 40.9 | Very low | 235 Ų | 235 | 144.5 Ų | 144.5 | 89% | 0.887 | 80% | 0.802 | S | S | * | * | | | | -174.7 | 111.5 | 123.9 | -102.2 | 148.6 | 167.3 | -112.9 | -0.1 | 114.3 | | |
| 660 | R | 39.1 | Very low | 41.6 | Very low | 209 Ų | 209 | 142.1 Ų | 142.1 | 79% | 0.789 | 80% | 0.799 | S | S | * | * | | | | 18 | 106.6 | 119.7 | -74 | 178.2 | 150.5 | -125.5 | -2.6 | 116.9 | | |
| 661 | S | 40.9 | Very low | 42.6 | Very low | 116 Ų | 116 | 139.4 Ų | 139.4 | 81% | 0.811 | 79% | 0.794 | S | S | * | * | | | trans | -151.7 | 87.2 | 155.6 | -75.4 | 0 | 0 | 0 | 0 | 108.6 | S663 | S661-S663 PolarHBondContact O-N 2.91Š|
| 662 | S | 36.4 | Very low | 43.7 | Very low | 129 Ų | 129 | 134.1 Ų | 134.1 | 90% | 0.902 | 78% | 0.777 | S | S | * | * | | | trans | -89 | 91.8 | 179.7 | 53.6 | 0 | 0 | 0 | 0 | 110.4 | | |
| 663 | S | 49.9 | Very low | 45.1 | Very low | 100 Ų | 100 | 133 Ų | 133 | 70% | 0.699 | 77% | 0.771 | S | S | * | * | | | trans | -97.9 | 149.7 | 166.1 | -61.1 | 0 | 0 | 0 | 0 | 109.9 | S661 | S661-S663 PolarHBondContact O-N 2.91Š|
| 664 | E | 40.5 | Very low | 46.6 | Very low | 185 Ų | 185 | 137.8 Ų | 137.8 | 86% | 0.864 | 78% | 0.775 | S | S | * | * | | | trans | 53.8 | 81.3 | 157.7 | -61 | -179.9 | 143.6 | 0 | 0 | 117.5 | | |
| 665 | L | 46.9 | Very low | 48.6 | Very low | 169 Ų | 169 | 130.2 Ų | 130.2 | 89% | 0.885 | 74% | 0.739 | S | S | * | * | | | trans | -102.7 | 94.6 | 145.9 | -72.3 | -178.6 | 0 | 0 | 0 | 109.1 | I667 | L665-I667 PolarHBondContact O-N 2.82Š|
| 666 | S | 47.3 | Very low | 50.6 | Low | 86 Ų | 86 | 131.4 Ų | 131.4 | 60% | 0.601 | 74% | 0.735 | S | S | * | * | | | trans | -65.1 | 113.8 | 169.6 | 178.8 | 0 | 0 | 0 | 0 | 109.7 | G668 E669 | S666-G668 PolarHBondContact O-N 2.81Å; S666-G668 VanDerWaalsContact O-N 3.13Å; S666-E669 PolarHBondContact O-N 3.38Å |
| 667 | I | 44.8 | Very low | 52.3 | Low | 179 Ų | 179 | 129.4 Ų | 129.4 | 92% | 0.918 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.3 | -3.6 | -178.2 | -64 | 170.6 | 0 | 0 | 0 | 111.8 | L665 | L665-I667 PolarHBondContact O-N 2.82Š|
| 668 | G | 55 | Low | 54.4 | Low | 70 Ų | 70 | 127.3 Ų | 127.3 | 72% | 0.722 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.2 | -18.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | S666 S670 | S666-G668 PolarHBondContact O-N 2.81Å; S666-G668 VanDerWaalsContact O-N 3.13Å; G668-S670 PolarHBondContact O-N 2.75Å |
| 669 | E | 52.2 | Low | 56.5 | Low | 159 Ų | 159 | 121.9 Ų | 121.9 | 74% | 0.743 | 67% | 0.67 | S | S | * | * | | | trans | -92.4 | 95.3 | -172 | -167.9 | 161.8 | -163.4 | 0 | 0 | 111.8 | S666 P671 | S666-E669 PolarHBondContact O-N 3.38Å; E669-P671 WeakPolarHBondContact O-CD 3.35Å |
| 670 | S | 52.6 | Low | 58.5 | Low | 102 Ų | 102 | 117.1 Ų | 117.1 | 71% | 0.713 | 66% | 0.656 | S | S | * | * | | | trans | -62.7 | 119.9 | 174.4 | 59 | 0 | 0 | 0 | 0 | 110.2 | G668 S672 | G668-S670 PolarHBondContact O-N 2.75Å; S670-S672 PolarHBondContact O-N 3Å |
| 671 | P | 57.7 | Low | 60.3 | Low | 99 Ų | 99 | 111.2 Ų | 111.2 | 64% | 0.643 | 64% | 0.643 | S | S | * | * | | | trans | -61.9 | 109.7 | -175.3 | 21.6 | -32.2 | 0 | 0 | 0 | 110.9 | E669 L673 V678 | E669-P671 WeakPolarHBondContact O-CD 3.35Å; P671-L673 PolarHBondContact O-N 3.22Å; P671-V678 HydrophobicContact CB-CG2 3.63Å |
| 672 | S | 63.7 | Low | 62 | Low | 65 Ų | 65 | 108.7 Ų | 108.7 | 46% | 0.455 | 62% | 0.62 | S | S | . | * | | | trans | -56.9 | 127 | -179.8 | 175 | 0 | 0 | 0 | 0 | 110.4 | S670 Q674 S675 V678 | S670-S672 PolarHBondContact O-N 3Å; S672-Q674 PolarHBondContact O-N 3.05Å; S672-Q674 PolarHBondContact OG-N 3.11Å; S672-S675 WeakPolarHBondContact O-CB 3.37Å; S672-S675 PolarHBondContact O-N 2.79Å; S672-V678 WeakPolarHBondContact O-CB 3.38Å; S672-V678 WeakPolarHBondContact O-CG2 3.44Å |
| 673 | L | 62.2 | Low | 63.9 | Low | 132 Ų | 132 | 106.6 Ų | 106.6 | 69% | 0.691 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.8 | -4.2 | 177 | -62.4 | 176.3 | 0 | 0 | 0 | 113.5 | P671 V678 I682 | P671-L673 PolarHBondContact O-N 3.22Å; L673-V678 HydrophobicContact CD2-CG1 4.22Å; L673-I682 HydrophobicContact CD2-CD1 3.74Å |
| 674 | Q | 70.9 | Confident | 65.1 | Low | 165 Ų | 165 | 106.1 Ų | 106.1 | 77% | 0.771 | 59% | 0.588 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100 | -8.8 | 172.2 | -66.3 | -177.9 | -29.6 | 0 | 0 | 114.1 | S672 I679 | S672-Q674 PolarHBondContact O-N 3.05Å; S672-Q674 PolarHBondContact OG-N 3.11Å; Q674-I679 WeakPolarHBondContact O-CD1 3.48Å |
| 675 | S | 78.7 | Confident | 66.3 | Low | 30 Ų | 30 | 100.7 Ų | 100.7 | 21% | 0.21 | 57% | 0.57 | C | S | . | * | S | Bend | trans | -60.4 | 135.3 | 175.2 | 156.1 | 0 | 0 | 0 | 0 | 109.9 | S672 E677 V678 I679 | S672-S675 WeakPolarHBondContact O-CB 3.37Å; S672-S675 PolarHBondContact O-N 2.79Å; S675-E677 PolarHBondContact O-N 3.14Å; S675-E677 PolarHBondContact OG-N 3.06Å; S675-E677 VanDerWaalsContact OG-N 3.17Å; S675-V678 PolarHBondContact O-N 3.45Å; S675-V678 VanDerWaalsContact O-N 3.17Å; S675-V678 PolarHBondContact OG-N 3.24Å; S675-I679 WeakPolarHBondContact O-CB 3.49Å; S675-I679 VanDerWaalsContact O-CG1 3.29Å; S675-I679 WeakPolarHBondContact O-CG1 3.4Å; S675-I679 PolarHBondContact O-N 2.87Å |
| 676 | P | 79.4 | Confident | 66.9 | Low | 91 Ų | 91 | 99.6 Ų | 99.6 | 59% | 0.591 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -63.6 | -22.1 | 178.2 | 26.8 | -34.5 | 0 | 0 | 0 | 112.6 | K680 | P676-K680 VanDerWaalsContact O-CB 3.29Å; P676-K680 WeakPolarHBondContact O-CB 3.3Å; P676-K680 VanDerWaalsContact O-CG 3.22Å; P676-K680 WeakPolarHBondContact O-CG 3.47Å; P676-K680 PolarHBondContact O-N 3.34Å |
| 677 | E | 77.7 | Confident | 67.4 | Low | 142 Ų | 142 | 103.1 Ų | 103.1 | 66% | 0.664 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -82.2 | -37.6 | 176.7 | -61.5 | 173.1 | 141.8 | 0 | 0 | 111.2 | S675 K680 T681 | S675-E677 PolarHBondContact O-N 3.14Å; S675-E677 PolarHBondContact OG-N 3.06Å; S675-E677 VanDerWaalsContact OG-N 3.17Å; E677-K680 PolarHBondContact O-N 3.3Å; E677-T681 WeakPolarHBondContact O-CB 3.24Å; E677-T681 PolarHBondContact O-N 3.48Å; E677-T681 PolarHBondContact O-OG1 3.17Å |
| 678 | V | 76.4 | Confident | 67.9 | Low | 23 Ų | 23 | 101.6 Ų | 101.6 | 14% | 0.139 | 55% | 0.552 | C | S | . | * | H | α-helix | trans | -67.8 | -40.8 | 171.3 | 178.4 | 0 | 0 | 0 | 0 | 110.1 | P671 S672 L673 S675 T681 I682 | P671-V678 HydrophobicContact CB-CG2 3.63Å; S672-V678 WeakPolarHBondContact O-CB 3.38Å; S672-V678 WeakPolarHBondContact O-CG2 3.44Å; L673-V678 HydrophobicContact CD2-CG1 4.22Å; S675-V678 PolarHBondContact O-N 3.45Å; S675-V678 VanDerWaalsContact O-N 3.17Å; S675-V678 PolarHBondContact OG-N 3.24Å; V678-T681 PolarHBondContact O-N 3.17Å; V678-I682 HydrophobicContact CG1-CD1 3.64Å; V678-I682 HydrophobicContact CG1-CG1 4.34Å; V678-I682 WeakPolarHBondContact O-CB 3.36Å; V678-I682 WeakPolarHBondContact O-CG1 3.29Å; V678-I682 PolarHBondContact O-N 3.18Å |
| 679 | I | 78.6 | Confident | 67.7 | Low | 73 Ų | 73 | 103.1 Ų | 103.1 | 37% | 0.374 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -63.6 | -46.2 | 172.2 | -69 | 167.3 | 0 | 0 | 0 | 110.7 | Q674 S675 T681 I682 L683 | Q674-I679 WeakPolarHBondContact O-CD1 3.48Å; S675-I679 WeakPolarHBondContact O-CB 3.49Å; S675-I679 VanDerWaalsContact O-CG1 3.29Å; S675-I679 WeakPolarHBondContact O-CG1 3.4Å; S675-I679 PolarHBondContact O-N 2.87Å; I679-T681 VanDerWaalsContact C-N 3.32Å; I679-T681 PolarHBondContact O-N 3.13Å; I679-I682 PolarHBondContact O-N 2.79Å; I679-L683 HydrophobicContact CG2-CD1 3.69Å; I679-L683 HydrophobicContact CG2-CG 4.25Å; I679-L683 VanDerWaalsContact O-CB 3.25Å; I679-L683 WeakPolarHBondContact O-CB 3.26Å; I679-L683 WeakPolarHBondContact O-CG 3.24Å; I679-L683 PolarHBondContact O-N 2.9Å |
| 680 | K | 78.1 | Confident | 67.5 | Low | 136 Ų | 136 | 102.9 Ų | 102.9 | 59% | 0.591 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -57.5 | -44.2 | 172.3 | -84.9 | 172.8 | 177.8 | 177.3 | 0 | 111.7 | P676 E677 L683 N684 | P676-K680 VanDerWaalsContact O-CB 3.29Å; P676-K680 WeakPolarHBondContact O-CB 3.3Å; P676-K680 VanDerWaalsContact O-CG 3.22Å; P676-K680 WeakPolarHBondContact O-CG 3.47Å; P676-K680 PolarHBondContact O-N 3.34Å; E677-K680 PolarHBondContact O-N 3.3Å; K680-L683 PolarHBondContact O-N 2.81Å; K680-N684 VanDerWaalsContact O-CB 3.29Å; K680-N684 WeakPolarHBondContact O-CB 3.34Å; K680-N684 PolarHBondContact O-N 2.98Å; K680-N684 PolarHBondContact O-ND2 2.98Å |
| 681 | T | 76.7 | Confident | 66.9 | Low | 85 Ų | 85 | 102.2 Ų | 102.2 | 52% | 0.521 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -63.2 | -51.4 | 178.5 | -56.2 | 0 | 0 | 0 | 0 | 110.4 | E677 V678 I679 L683 N684 S685 | E677-T681 WeakPolarHBondContact O-CB 3.24Å; E677-T681 PolarHBondContact O-N 3.48Å; E677-T681 PolarHBondContact O-OG1 3.17Å; V678-T681 PolarHBondContact O-N 3.17Å; I679-T681 VanDerWaalsContact C-N 3.32Å; I679-T681 PolarHBondContact O-N 3.13Å; T681-L683 VanDerWaalsContact C-N 3.28Å; T681-L683 PolarHBondContact O-N 2.88Å; T681-N684 PolarHBondContact O-N 2.99Å; T681-N684 VanDerWaalsContact O-N 3.16Å; T681-S685 WeakPolarHBondContact O-CB 3.24Å; T681-S685 PolarHBondContact O-N 2.99Å; T681-S685 PolarHBondContact O-OG 3.25Å; T681-S685 VanDerWaalsContact O-OG 3.06Å |
| 682 | I | 75.5 | Confident | 66 | Low | 63 Ų | 63 | 106.2 Ų | 106.2 | 32% | 0.323 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -67.5 | -25.8 | 179.5 | -63.4 | 169.3 | 0 | 0 | 0 | 112.2 | L673 V678 I679 R686 | L673-I682 HydrophobicContact CD2-CD1 3.74Å; V678-I682 HydrophobicContact CG1-CD1 3.64Å; V678-I682 HydrophobicContact CG1-CG1 4.34Å; V678-I682 WeakPolarHBondContact O-CB 3.36Å; V678-I682 WeakPolarHBondContact O-CG1 3.29Å; V678-I682 PolarHBondContact O-N 3.18Å; I679-I682 PolarHBondContact O-N 2.79Å; I682-R686 VanDerWaalsContact O-CB 3.31Å; I682-R686 WeakPolarHBondContact O-CB 3.24Å; I682-R686 VanDerWaalsContact O-CG 3.26Å; I682-R686 WeakPolarHBondContact O-CG 3.25Å; I682-R686 PolarHBondContact O-N 3.06Å; I682-R686 PolarHBondContact O-NE 3.07Å |
| 683 | L | 77.7 | Confident | 64.8 | Low | 85 Ų | 85 | 109.4 Ų | 109.4 | 45% | 0.445 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -76.5 | -40.1 | 170.6 | -73.6 | 171.9 | 0 | 0 | 0 | 112.1 | I679 K680 T681 R686 K687 | I679-L683 HydrophobicContact CG2-CD1 3.69Å; I679-L683 HydrophobicContact CG2-CG 4.25Å; I679-L683 VanDerWaalsContact O-CB 3.25Å; I679-L683 WeakPolarHBondContact O-CB 3.26Å; I679-L683 WeakPolarHBondContact O-CG 3.24Å; I679-L683 PolarHBondContact O-N 2.9Å; K680-L683 PolarHBondContact O-N 2.81Å; T681-L683 VanDerWaalsContact C-N 3.28Å; T681-L683 PolarHBondContact O-N 2.88Å; L683-R686 CarbonylContact O-C 3.58Å; L683-R686 PolarHBondContact O-N 3.07Å; L683-K687 PolarHBondContact O-N 3.17Å |
| 684 | N | 73.7 | Confident | 63.6 | Low | 90 Ų | 90 | 107.3 Ų | 107.3 | 48% | 0.481 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -72.1 | -41.4 | 177.5 | -70.5 | -10.6 | 0 | 0 | 0 | 111.7 | K680 T681 R686 K687 N688 | K680-N684 VanDerWaalsContact O-CB 3.29Å; K680-N684 WeakPolarHBondContact O-CB 3.34Å; K680-N684 PolarHBondContact O-N 2.98Å; K680-N684 PolarHBondContact O-ND2 2.98Å; T681-N684 PolarHBondContact O-N 2.99Å; T681-N684 VanDerWaalsContact O-N 3.16Å; N684-R686 PolarHBondContact O-N 2.82Å; N684-K687 WeakPolarHBondContact O-CA 3.26Å; N684-K687 WeakPolarHBondContact O-CB 3.25Å; N684-K687 PolarHBondContact O-N 3.4Å; N684-N688 PolarHBondContact O-N 3.26Å |
| 685 | S | 66.5 | Low | 62 | Low | 70 Ų | 70 | 102.9 Ų | 102.9 | 49% | 0.49 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -58.7 | -35.7 | 168.7 | -60.6 | 0 | 0 | 0 | 0 | 111.8 | T681 N688 S689 | T681-S685 WeakPolarHBondContact O-CB 3.24Å; T681-S685 PolarHBondContact O-N 2.99Å; T681-S685 PolarHBondContact O-OG 3.25Å; T681-S685 VanDerWaalsContact O-OG 3.06Å; S685-N688 PolarHBondContact O-N 3.2Å; S685-S689 WeakPolarHBondContact O-CB 3.42Å; S685-S689 PolarHBondContact O-N 3.03Å |
| 686 | R | 60.2 | Low | 60 | Low | 147 Ų | 147 | 107.6 Ų | 107.6 | 56% | 0.555 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -75.3 | -22.6 | 172.5 | -78.5 | -176.8 | -70 | -177.3 | 1 | 114.1 | I682 L683 N684 L690 | I682-R686 VanDerWaalsContact O-CB 3.31Å; I682-R686 WeakPolarHBondContact O-CB 3.24Å; I682-R686 VanDerWaalsContact O-CG 3.26Å; I682-R686 WeakPolarHBondContact O-CG 3.25Å; I682-R686 PolarHBondContact O-N 3.06Å; I682-R686 PolarHBondContact O-NE 3.07Å; L683-R686 CarbonylContact O-C 3.58Å; L683-R686 PolarHBondContact O-N 3.07Å; N684-R686 PolarHBondContact O-N 2.82Å; R686-L690 WeakPolarHBondContact O-CB 3.3Å; R686-L690 PolarHBondContact O-N 3.48Å |
| 687 | K | 56.6 | Low | 58 | Low | 160 Ų | 160 | 108.2 Ų | 108.2 | 70% | 0.696 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -72.9 | -32.6 | 167.4 | -75.6 | -176.1 | 173.3 | -172 | 0 | 112.5 | L683 N684 | L683-K687 PolarHBondContact O-N 3.17Å; N684-K687 WeakPolarHBondContact O-CA 3.26Å; N684-K687 WeakPolarHBondContact O-CB 3.25Å; N684-K687 PolarHBondContact O-N 3.4Å |
| 688 | N | 55.5 | Low | 56.1 | Low | 146 Ų | 146 | 107 Ų | 107 | 78% | 0.781 | 65% | 0.65 | S | S | * | * | S | Bend | trans | -88.8 | -0.1 | 176.7 | -65.2 | 13.7 | 0 | 0 | 0 | 113.6 | N684 S685 | N684-N688 PolarHBondContact O-N 3.26Å; S685-N688 PolarHBondContact O-N 3.2Å |
| 689 | S | 51.6 | Low | 54.2 | Low | 103 Ų | 103 | 112 Ų | 112 | 72% | 0.72 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -125.5 | 10.4 | -178.2 | -176.5 | 0 | 0 | 0 | 0 | 113.1 | S685 | S685-S689 WeakPolarHBondContact O-CB 3.42Å; S685-S689 PolarHBondContact O-N 3.03Å |
| 690 | L | 48.4 | Very low | 52.5 | Low | 154 Ų | 154 | 113.9 Ų | 113.9 | 81% | 0.806 | 70% | 0.697 | S | S | * | * | | | trans | -128.1 | 60.8 | 177.9 | -171 | 67.3 | 0 | 0 | 0 | 109.4 | R686 | R686-L690 WeakPolarHBondContact O-CB 3.3Å; R686-L690 PolarHBondContact O-N 3.48Å |
| 691 | A | 39.1 | Very low | 50.6 | Low | 87 Ų | 87 | 113.5 Ų | 113.5 | 72% | 0.719 | 71% | 0.707 | S | S | * | * | | | trans | -141.9 | 22.7 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 692 | E | 38.7 | Very low | 48.7 | Very low | 183 Ų | 183 | 114.3 Ų | 114.3 | 86% | 0.855 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -141.4 | 145 | 170.6 | -91 | -173.1 | 135 | 0 | 0 | 111.2 | | |
| 693 | S | 39.6 | Very low | 46.9 | Very low | 133 Ų | 133 | 119.7 Ų | 119.7 | 93% | 0.93 | 74% | 0.735 | S | S | * | * | S | Bend | trans | 63.7 | 112.2 | -177.2 | 72.6 | 0 | 0 | 0 | 0 | 116.9 | | |
| 694 | G | 37.2 | Very low | 44.9 | Very low | 87 Ų | 87 | 123.9 Ų | 123.9 | 90% | 0.897 | 75% | 0.752 | S | S | * | * | | | trans | 145.5 | 78.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 695 | G | 35.9 | Very low | 43.5 | Very low | 73 Ų | 73 | 123.9 Ų | 123.9 | 75% | 0.753 | 76% | 0.757 | S | S | * | * | | | trans | -116.4 | -175.2 | -171.7 | 0 | 0 | 0 | 0 | 0 | 116.5 | | |
| 696 | S | 36.8 | Very low | 42.3 | Very low | 128 Ų | 128 | 129.3 Ų | 129.3 | 90% | 0.895 | 77% | 0.772 | S | S | * | * | | | trans | 90.7 | 130 | 170 | -62.1 | 0 | 0 | 0 | 0 | 119.7 | | |
| 697 | A | 37.2 | Very low | 41.3 | Very low | 104 Ų | 104 | 129.1 Ų | 129.1 | 86% | 0.86 | 78% | 0.781 | S | S | * | * | | | trans | 68.1 | 137.8 | 167.2 | 0 | 0 | 0 | 0 | 0 | 117.6 | | |
| 698 | S | 39.2 | Very low | 40.7 | Very low | 116 Ų | 116 | 127.4 Ų | 127.4 | 81% | 0.811 | 78% | 0.778 | S | S | * | * | | | cis | -152.4 | 156.6 | -0 | 51.3 | 0 | 0 | 0 | 0 | 113 | | |
| 699 | T | 35.5 | Very low | 40 | Very low | 130 Ų | 130 | 128.2 Ų | 128.2 | 80% | 0.798 | 78% | 0.775 | S | S | * | * | | | trans | -85.2 | -170.7 | 172.4 | 53.3 | 0 | 0 | 0 | 0 | 111 | | |
| 700 | P | 42 | Very low | 39.4 | Very low | 111 Ų | 111 | 130.2 Ų | 130.2 | 72% | 0.721 | 77% | 0.772 | S | S | * | * | | | cis | -142.6 | -159 | 8.7 | 31.5 | -3.7 | 0 | 0 | 0 | 116.6 | | |
| 701 | V | 38.3 | Very low | 39 | Very low | 129 Ų | 129 | 129 Ų | 129 | 78% | 0.782 | 77% | 0.766 | S | S | * | * | | | trans | 87.2 | 136.2 | 159.8 | 178.8 | 0 | 0 | 0 | 0 | 117.6 | | |
| 702 | T | 37.2 | Very low | 39 | Very low | 102 Ų | 102 | 132.6 Ų | 132.6 | 63% | 0.626 | 77% | 0.768 | S | S | * | * | | | cis | -171.8 | 166.2 | -17.2 | -88.5 | 0 | 0 | 0 | 0 | 110.8 | | |
| 703 | E | 38.5 | Very low | 39 | Very low | 176 Ų | 176 | 128.3 Ų | 128.3 | 82% | 0.822 | 76% | 0.758 | S | S | * | * | | | trans | 72.1 | 137 | 166.7 | -83.2 | 150.7 | -149.1 | 0 | 0 | 119 | | |
| 704 | Q | 35 | Very low | 39.1 | Very low | 172 Ų | 172 | 129.3 Ų | 129.3 | 80% | 0.804 | 75% | 0.753 | S | S | * | * | | | cis | 94.9 | 152.4 | 23.8 | -72.1 | -132.2 | 10.7 | 0 | 0 | 116.3 | | |
| 705 | P | 44.2 | Very low | 39.2 | Very low | 90 Ų | 90 | 129.7 Ų | 129.7 | 58% | 0.584 | 75% | 0.747 | S | S | * | * | | | cis | -146.5 | -163.2 | -42.7 | 43.4 | -25.3 | 0 | 0 | 0 | 115 | | |
| 706 | K | 41.7 | Very low | 39.4 | Very low | 184 Ų | 184 | 133.9 Ų | 133.9 | 80% | 0.8 | 75% | 0.745 | S | S | * | * | | | trans | 95.9 | 148.7 | 143.4 | -93.7 | 172.3 | -175.1 | 166.8 | 0 | 124.1 | | |
| 707 | I | 40.2 | Very low | 39.4 | Very low | 143 Ų | 143 | 134.5 Ų | 134.5 | 73% | 0.733 | 73% | 0.733 | S | S | * | * | | | trans | 85.2 | 134.2 | 148.5 | -77.5 | 160.5 | 0 | 0 | 0 | 119.4 | | |
| 708 | I | 43.1 | Very low | 39.6 | Very low | 124 Ų | 124 | 137 Ų | 137 | 64% | 0.636 | 73% | 0.727 | S | S | * | * | | | cis | -171.8 | 152.4 | -18.4 | -138.6 | -178 | 0 | 0 | 0 | 114.1 | | |
| 709 | K | 41.8 | Very low | 39.6 | Very low | 164 Ų | 164 | 135.9 Ų | 135.9 | 71% | 0.713 | 72% | 0.719 | S | S | * | * | | | trans | 67.1 | 159.7 | 156.2 | -70.8 | 172.5 | -175.1 | 177.4 | 0 | 120 | | |
| 710 | Q | 38.9 | Very low | 39.7 | Very low | 145 Ų | 145 | 134.3 Ų | 134.3 | 68% | 0.678 | 71% | 0.713 | S | S | * | * | | | cis | -157 | 148.8 | 4.1 | -137.1 | 168.4 | -59.9 | 0 | 0 | 116 | | |
| 711 | L | 39 | Very low | 39.7 | Very low | 129 Ų | 129 | 134.8 Ų | 134.8 | 68% | 0.675 | 71% | 0.714 | S | S | * | * | | | trans | 50.3 | 126.5 | 147.5 | -96.4 | 64.6 | 0 | 0 | 0 | 121.1 | | |
| 712 | E | 38.1 | Very low | 39.7 | Very low | 161 Ų | 161 | 135.7 Ų | 135.7 | 75% | 0.752 | 72% | 0.715 | S | S | * | * | | | | 92.5 | 141.8 | 66.2 | -177.2 | 160.7 | -118.5 | 0 | 0 | 112.3 | | |
| 713 | S | 39.9 | Very low | 39.8 | Very low | 94 Ų | 94 | 134.4 Ų | 134.4 | 66% | 0.657 | 72% | 0.722 | S | S | * | * | | | cis | -149.4 | 145.4 | 19.4 | 57.9 | 0 | 0 | 0 | 0 | 116.6 | | |
| 714 | L | 41.7 | Very low | 39.8 | Very low | 154 Ų | 154 | 131.9 Ų | 131.9 | 81% | 0.806 | 72% | 0.718 | S | S | * | * | | | trans | 57.3 | 144.4 | 136.3 | -86.1 | 68.9 | 0 | 0 | 0 | 124.8 | | |
| 715 | A | 38.6 | Very low | 39.9 | Very low | 94 Ų | 94 | 132.3 Ų | 132.3 | 78% | 0.777 | 72% | 0.717 | S | S | * | * | | | trans | 82.9 | 141.8 | 140 | 0 | 0 | 0 | 0 | 0 | 121.6 | | |
| 716 | K | 41.4 | Very low | 39.5 | Very low | 162 Ų | 162 | 133.3 Ų | 133.3 | 70% | 0.704 | 72% | 0.718 | S | S | * | * | | | cis | -170.1 | 136.9 | -19.4 | -173.4 | 161.9 | 173.5 | 177.1 | 0 | 111.2 | | |
| 717 | E | 36.1 | Very low | 39.4 | Very low | 140 Ų | 140 | 131.1 Ų | 131.1 | 65% | 0.654 | 71% | 0.714 | S | S | * | * | | | trans | 62 | 167.6 | 157.6 | -79.9 | 168.1 | -153 | 0 | 0 | 118.3 | | |
| 718 | Q | 41.5 | Very low | 39.2 | Very low | 156 Ų | 156 | 129 Ų | 129 | 73% | 0.729 | 71% | 0.711 | S | S | * | * | | | cis | -144.8 | 176.8 | 6.3 | -140 | 165.9 | 67.9 | 0 | 0 | 113.2 | | |
| 719 | S | 38.5 | Very low | 38.8 | Very low | 93 Ų | 93 | 127.6 Ų | 127.6 | 65% | 0.65 | 71% | 0.712 | S | S | * | * | | | trans | -55 | 177.4 | 173.6 | 59.4 | 0 | 0 | 0 | 0 | 115.7 | | |
| 720 | S | 38.1 | Very low | 38.4 | Very low | 97 Ų | 97 | 125.5 Ų | 125.5 | 68% | 0.678 | 72% | 0.718 | S | S | * | * | | | cis | -168.3 | 163.1 | 31.6 | -143.5 | 0 | 0 | 0 | 0 | 116.6 | | |
| 721 | V | 42.8 | Very low | 38.1 | Very low | 122 Ų | 122 | 128.8 Ų | 128.8 | 74% | 0.739 | 73% | 0.725 | S | S | * | * | | | trans | 5.9 | 134.7 | 156.4 | -57.8 | 0 | 0 | 0 | 0 | 120.2 | | |
| 722 | D | 38.1 | Very low | 37.7 | Very low | 147 Ų | 147 | 126.6 Ų | 126.6 | 79% | 0.786 | 72% | 0.72 | S | S | * | * | | | | 84.5 | 139.1 | 53.5 | -163.4 | 10 | 0 | 0 | 0 | 113.4 | | |
| 723 | G | 38.3 | Very low | 37.4 | Very low | 76 Ų | 76 | 127.4 Ų | 127.4 | 78% | 0.784 | 72% | 0.724 | S | S | * | * | | | trans | 161.7 | 62.2 | -166.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 724 | V | 38.7 | Very low | 36.9 | Very low | 123 Ų | 123 | 127 Ų | 127 | 75% | 0.745 | 73% | 0.726 | S | S | * | * | | | trans | -72.2 | 176.3 | 175.2 | -75 | 0 | 0 | 0 | 0 | 114.5 | | |
| 725 | K | 37.9 | Very low | 36.4 | Very low | 180 Ų | 180 | 123.8 Ų | 123.8 | 78% | 0.783 | 72% | 0.716 | S | S | * | * | | | trans | 84.1 | 139.3 | 158.6 | -116.1 | 144.7 | 176.5 | -174.5 | 0 | 116.6 | | |
| 726 | D | 35.3 | Very low | 36.2 | Very low | 112 Ų | 112 | 126.7 Ų | 126.7 | 60% | 0.599 | 71% | 0.714 | S | S | * | * | | | cis | -163.7 | 165.6 | -8.2 | -132.9 | -16 | 0 | 0 | 0 | 112.6 | | |
| 727 | I | 39.6 | Very low | 36 | Very low | 138 Ų | 138 | 126.5 Ų | 126.5 | 71% | 0.708 | 72% | 0.716 | S | S | * | * | | | trans | 64.6 | 134.9 | 144.9 | -71.1 | 160 | 0 | 0 | 0 | 122.5 | | |
| 728 | S | 36.4 | Very low | 35.8 | Very low | 97 Ų | 97 | 124.6 Ų | 124.6 | 68% | 0.678 | 72% | 0.718 | S | S | * | * | | | trans | 83.3 | 109.9 | 151.5 | -92.6 | 0 | 0 | 0 | 0 | 124 | | |
| 729 | S | 33.3 | Very low | 35.8 | Very low | 95 Ų | 95 | 122.6 Ų | 122.6 | 66% | 0.664 | 72% | 0.718 | S | S | * | * | | | | 62.5 | 126.2 | 105.7 | -49.7 | 0 | 0 | 0 | 0 | 121.7 | | |
| 730 | S | 33.8 | Very low | 35.8 | Very low | 120 Ų | 120 | 124.1 Ų | 124.1 | 84% | 0.839 | 72% | 0.724 | S | S | * | * | | | trans | 71.5 | 161.4 | 149.8 | 85.1 | 0 | 0 | 0 | 0 | 116.1 | | |
| 731 | R | 32.9 | Very low | 35.9 | Very low | 215 Ų | 215 | 125.2 Ų | 125.2 | 81% | 0.811 | 73% | 0.729 | S | S | * | * | | | cis | -179.6 | 137.1 | -25.6 | 166.5 | -138.9 | 174 | 163.3 | -1.4 | 105.5 | | |
| 732 | S | 31.8 | Very low | 35.7 | Very low | 82 Ų | 82 | 125.4 Ų | 125.4 | 57% | 0.573 | 73% | 0.73 | S | S | * | * | | | trans | 59.5 | 169.4 | 168.7 | 43.7 | 0 | 0 | 0 | 0 | 114.9 | | |
| 733 | E | 30 | Very low | 35.8 | Very low | 178 Ų | 178 | 123 Ų | 123 | 83% | 0.832 | 72% | 0.723 | S | S | * | * | | | cis | -150.4 | -177.8 | -33.2 | -111.3 | 166.8 | 100 | 0 | 0 | 109 | | |
| 734 | A | 29.9 | Very low | 35.6 | Very low | 85 Ų | 85 | 127.8 Ų | 127.8 | 70% | 0.702 | 72% | 0.721 | S | S | * | * | | | trans | -24.9 | 141.5 | 171.7 | 0 | 0 | 0 | 0 | 0 | 116.5 | | |
| 735 | S | 31.6 | Very low | 35.3 | Very low | 87 Ų | 87 | 131.2 Ų | 131.2 | 61% | 0.608 | 73% | 0.726 | S | S | * | * | | | | -173.8 | 143.2 | 94.7 | -85.6 | 0 | 0 | 0 | 0 | 114.4 | | |
| 736 | Q | 33.9 | Very low | 35.3 | Very low | 155 Ų | 155 | 127.7 Ų | 127.7 | 72% | 0.724 | 72% | 0.724 | S | S | * | * | | | | 58.3 | 140.8 | 128.2 | -58.4 | 174.5 | 68.6 | 0 | 0 | 119.2 | | |
| 737 | Q | 38.4 | Very low | 35.4 | Very low | 159 Ų | 159 | 129.5 Ų | 129.5 | 74% | 0.743 | 73% | 0.734 | S | S | * | * | | | cis | -152.2 | 155.2 | 19.9 | -116.7 | 144.2 | 43.1 | 0 | 0 | 112.7 | | |
| 738 | S | 31.5 | Very low | 35.6 | Very low | 100 Ų | 100 | 128.9 Ų | 128.9 | 70% | 0.699 | 74% | 0.739 | S | S | * | * | | | trans | -41.4 | 179.9 | 154.8 | 53.6 | 0 | 0 | 0 | 0 | 118.3 | | |
| 739 | P | 41 | Very low | 35.7 | Very low | 114 Ų | 114 | 127.3 Ų | 127.3 | 74% | 0.74 | 74% | 0.738 | S | S | * | * | | | cis | -138.5 | -177.3 | -9.2 | 22.8 | 3.3 | 0 | 0 | 0 | 116.7 | | |
| 740 | T | 39 | Very low | 35.9 | Very low | 125 Ų | 125 | 129.3 Ų | 129.3 | 77% | 0.767 | 75% | 0.746 | S | S | * | * | | | trans | -40.5 | 157 | 152.6 | 8.6 | 0 | 0 | 0 | 0 | 115.5 | | |
| 741 | P | 39.4 | Very low | 36.3 | Very low | 119 Ų | 119 | 131.2 Ų | 131.2 | 77% | 0.773 | 74% | 0.742 | S | S | * | * | | | | -153.3 | 175.1 | 65.6 | 41.4 | -20.1 | 0 | 0 | 0 | 120.4 | | |
| 742 | V | 38.6 | Very low | 36.3 | Very low | 127 Ų | 127 | 129.4 Ų | 129.4 | 77% | 0.77 | 74% | 0.74 | S | S | * | * | | | trans | -59.6 | -176.7 | 161.1 | -77.6 | 0 | 0 | 0 | 0 | 113.8 | | |
| 743 | P | 40.8 | Very low | 36.8 | Very low | 97 Ų | 97 | 129.9 Ų | 129.9 | 63% | 0.63 | 74% | 0.741 | S | S | * | * | | | cis | -142.8 | -164.8 | 9 | 26.5 | 2 | 0 | 0 | 0 | 116.5 | | |
| 744 | K | 33.1 | Very low | 37 | Very low | 175 Ų | 175 | 127.1 Ų | 127.1 | 76% | 0.761 | 74% | 0.736 | S | S | * | * | | | trans | 115.8 | 120.1 | 143.1 | -66.4 | 166.5 | -176.6 | 169.7 | 0 | 118.7 | | |
| 745 | K | 32.7 | Very low | 37.3 | Very low | 195 Ų | 195 | 127.8 Ų | 127.8 | 85% | 0.848 | 74% | 0.736 | S | S | * | * | | | | 62.5 | 148.3 | 121.3 | -68.6 | -168.9 | 173 | -169.7 | 0 | 120.8 | | |
| 746 | S | 37.7 | Very low | 37.8 | Very low | 106 Ų | 106 | 128.6 Ų | 128.6 | 74% | 0.741 | 74% | 0.739 | S | S | * | * | | | cis | -167.9 | 167.1 | -9.2 | 45 | 0 | 0 | 0 | 0 | 113.5 | | |
| 747 | N | 37.8 | Very low | 37.8 | Very low | 151 Ų | 151 | 126.3 Ų | 126.3 | 81% | 0.807 | 74% | 0.736 | S | S | * | * | | | trans | -37.5 | 167 | 153.5 | -74.6 | 10.1 | 0 | 0 | 0 | 115.2 | | |
| 748 | P | 44.9 | Very low | 37.7 | Very low | 125 Ų | 125 | 127.4 Ų | 127.4 | 81% | 0.812 | 74% | 0.738 | S | S | * | * | | | cis | -130.1 | -171.2 | 22 | 30.8 | -7.3 | 0 | 0 | 0 | 114.6 | | |
| 749 | G | 38.1 | Very low | 37.9 | Very low | 64 Ų | 64 | 133.8 Ų | 133.8 | 66% | 0.66 | 75% | 0.747 | S | S | * | * | | | cis | 155.8 | -169.9 | -6.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 750 | V | 36.9 | Very low | 37.3 | Very low | 136 Ų | 136 | 132.2 Ų | 132.2 | 82% | 0.824 | 74% | 0.744 | S | S | * | * | | | trans | 64.7 | 116.1 | 145 | 170.8 | 0 | 0 | 0 | 0 | 116.7 | | |
| 751 | E | 42.7 | Very low | 36.9 | Very low | 160 Ų | 160 | 132.7 Ų | 132.7 | 75% | 0.748 | 75% | 0.746 | S | S | * | * | | | cis | -144.3 | 167.1 | 15.7 | -60.2 | -149.9 | 103.3 | 0 | 0 | 110.5 | | |
| 752 | K | 33.7 | Very low | 36.4 | Very low | 177 Ų | 177 | 135 Ų | 135 | 77% | 0.77 | 75% | 0.746 | S | S | * | * | | | cis | 73.8 | 145.6 | 32.4 | 175.1 | -172.9 | 177.4 | -163 | 0 | 113 | | |
| 753 | P | 40.3 | Very low | 36.2 | Very low | 92 Ų | 92 | 135.2 Ų | 135.2 | 60% | 0.597 | 74% | 0.739 | S | S | * | * | | | cis | -133.1 | -173 | 1.3 | 28.4 | -3.5 | 0 | 0 | 0 | 117.5 | | |
| 754 | T | 35.2 | Very low | 35.9 | Very low | 120 Ų | 120 | 136 Ų | 136 | 74% | 0.736 | 75% | 0.745 | S | S | * | * | | | trans | 61.6 | 119.3 | 143.4 | 40.2 | 0 | 0 | 0 | 0 | 121.4 | | |
| 755 | S | 35.2 | Very low | 36.2 | Very low | 99 Ų | 99 | 136.4 Ų | 136.4 | 69% | 0.692 | 74% | 0.743 | S | S | * | * | | | | 99.6 | 168.4 | 59.9 | 79.7 | 0 | 0 | 0 | 0 | 112.6 | | |
| 756 | P | 43.7 | Very low | 36.9 | Very low | 104 Ų | 104 | 132.8 Ų | 132.8 | 68% | 0.675 | 74% | 0.739 | S | S | * | * | | | cis | -138.8 | 166.1 | -1 | 37.5 | -17.3 | 0 | 0 | 0 | 117.7 | | |
| 757 | T | 33.1 | Very low | 37 | Very low | 108 Ų | 108 | 132.2 Ų | 132.2 | 66% | 0.663 | 74% | 0.735 | S | S | * | * | | | trans | 51.5 | 150.6 | 135.5 | -50.6 | 0 | 0 | 0 | 0 | 125 | | |
| 758 | F | 37.3 | Very low | 37.2 | Very low | 181 Ų | 181 | 130.5 Ų | 130.5 | 79% | 0.794 | 74% | 0.735 | S | S | * | * | | | trans | 109.8 | 110.8 | 162.9 | -64.6 | -71.6 | 0 | 0 | 0 | 113.3 | | |
| 759 | R | 34.1 | Very low | 37.1 | Very low | 235 Ų | 235 | 130.2 Ų | 130.2 | 89% | 0.887 | 73% | 0.733 | S | S | * | * | | | | 50.8 | 141.7 | 62.8 | -70.3 | -169.5 | 176.8 | -162.1 | 1 | 112.2 | | |
| 760 | A | 28.5 | Very low | 37.1 | Very low | 80 Ų | 80 | 131.2 Ų | 131.2 | 66% | 0.661 | 74% | 0.735 | S | S | * | * | | | cis | 179.8 | -179.9 | -15.5 | 0 | 0 | 0 | 0 | 0 | 104.8 | | |
| 761 | V | 31.1 | Very low | 37.3 | Very low | 136 Ų | 136 | 131.3 Ų | 131.3 | 82% | 0.824 | 73% | 0.73 | S | S | * | * | | | trans | 68.7 | 148.6 | 168.2 | 173.9 | 0 | 0 | 0 | 0 | 113 | | |
| 762 | Q | 29.4 | Very low | 37 | Very low | 166 Ų | 166 | 130.4 Ų | 130.4 | 78% | 0.776 | 73% | 0.726 | S | S | * | * | | | cis | -165.4 | -177.1 | -24.2 | -178.9 | 162.8 | 10 | 0 | 0 | 107 | | |
| 763 | E | 33.9 | Very low | 37.2 | Very low | 132 Ų | 132 | 129.7 Ų | 129.7 | 62% | 0.617 | 72% | 0.723 | S | S | * | * | | | trans | -47.4 | 151.7 | 164 | -97.6 | -177.2 | 129.5 | 0 | 0 | 112.5 | Y765 | E763-Y765 WeakPolarHBondContact OE1-CE2 3.35Å; E763-Y765 VanDerWaalsContact OE1-CZ 3.32Å; E763-Y765 PolarHBondContact OE1-OH 3.37Å |
| 764 | P | 33.9 | Very low | 37.4 | Very low | 115 Ų | 115 | 130.6 Ų | 130.6 | 75% | 0.747 | 73% | 0.731 | S | S | * | * | | | | -151.8 | -177.6 | 58 | 42 | -21.2 | 0 | 0 | 0 | 118.5 | | |
| 765 | Y | 39 | Very low | 37.3 | Very low | 183 Ų | 183 | 130.2 Ų | 130.2 | 72% | 0.718 | 73% | 0.734 | S | S | * | * | | | trans | -58.7 | 164.1 | 169.5 | -45.9 | -94.1 | 0 | 0 | 0 | 113.9 | E763 | E763-Y765 WeakPolarHBondContact OE1-CE2 3.35Å; E763-Y765 VanDerWaalsContact OE1-CZ 3.32Å; E763-Y765 PolarHBondContact OE1-OH 3.37Å |
| 766 | P | 49.2 | Very low | 37.5 | Very low | 118 Ų | 118 | 131.2 Ų | 131.2 | 77% | 0.766 | 74% | 0.738 | S | S | * | * | | | | -144.5 | 127.6 | 112.9 | 35.2 | -20 | 0 | 0 | 0 | 116.9 | | |
| 767 | S | 38.7 | Very low | 36.9 | Very low | 95 Ų | 95 | 130.2 Ų | 130.2 | 66% | 0.664 | 74% | 0.738 | S | S | * | * | | | trans | 35.8 | 123.7 | 133.7 | 70.8 | 0 | 0 | 0 | 0 | 123.4 | | |
| 768 | S | 41.6 | Very low | 36.7 | Very low | 115 Ų | 115 | 131.1 Ų | 131.1 | 80% | 0.804 | 74% | 0.743 | S | S | * | * | | | | 74.1 | 166.2 | 117.6 | -66.9 | 0 | 0 | 0 | 0 | 119.4 | | |
| 769 | P | 43.2 | Very low | 36.6 | Very low | 119 Ų | 119 | 131 Ų | 131 | 77% | 0.773 | 75% | 0.745 | S | S | * | * | | | cis | -138.5 | -176.9 | 15.6 | 44.2 | -26.8 | 0 | 0 | 0 | 118.4 | | |
| 770 | A | 39 | Very low | 36.3 | Very low | 85 Ų | 85 | 127.4 Ų | 127.4 | 70% | 0.702 | 74% | 0.738 | S | S | * | * | | | trans | 76.9 | 138.9 | 151.5 | 0 | 0 | 0 | 0 | 0 | 119.4 | | |
| 771 | L | 39.9 | Very low | 36.4 | Very low | 138 Ų | 138 | 130.1 Ų | 130.1 | 72% | 0.723 | 74% | 0.737 | S | S | * | * | | | cis | -160.7 | 135.6 | -9.7 | -105.8 | 169.9 | 0 | 0 | 0 | 109.3 | | |
| 772 | Q | 36.9 | Very low | 36.6 | Very low | 141 Ų | 141 | 132.7 Ų | 132.7 | 66% | 0.659 | 73% | 0.732 | S | S | * | * | | | trans | 39.1 | 144.8 | 136.8 | -64.7 | 179.8 | 31.9 | 0 | 0 | 121.2 | | |
| 773 | K | 37.2 | Very low | 36.9 | Very low | 162 Ų | 162 | 130.4 Ų | 130.4 | 70% | 0.704 | 73% | 0.73 | S | S | * | * | | | cis | -169.7 | 173.1 | 10.7 | -122 | 166 | -172.7 | 159.3 | 0 | 112.2 | | |
| 774 | S | 46.1 | Very low | 37.2 | Very low | 110 Ų | 110 | 129.6 Ų | 129.6 | 77% | 0.769 | 74% | 0.739 | S | S | * | * | | | trans | 61.9 | 102.8 | 150.1 | 57.3 | 0 | 0 | 0 | 0 | 122.7 | | |
| 775 | S | 33.1 | Very low | 37.4 | Very low | 113 Ų | 113 | 129.4 Ų | 129.4 | 79% | 0.79 | 74% | 0.738 | S | S | * | * | | | | -70.3 | -176.5 | 128.4 | -14.9 | 0 | 0 | 0 | 0 | 110.2 | | |
| 776 | P | 37.9 | Very low | 37.2 | Very low | 120 Ų | 120 | 126.9 Ų | 126.9 | 78% | 0.779 | 74% | 0.741 | S | S | * | * | | | cis | -151.9 | -168.7 | 31.1 | 44.9 | -22.3 | 0 | 0 | 0 | 118.1 | | |
| 777 | A | 31.3 | Very low | 36.7 | Very low | 82 Ų | 82 | 129 Ų | 129 | 68% | 0.678 | 74% | 0.74 | S | S | * | * | | | trans | 66.7 | 123 | 138 | 0 | 0 | 0 | 0 | 0 | 124.6 | | |
| 778 | V | 29.2 | Very low | 36.4 | Very low | 127 Ų | 127 | 134.7 Ų | 134.7 | 77% | 0.77 | 75% | 0.747 | S | S | * | * | | | | 47 | 108.6 | 123 | -171 | 0 | 0 | 0 | 0 | 120.6 | | |
| 779 | Q | 34.6 | Very low | 36.3 | Very low | 179 Ų | 179 | 134.7 Ų | 134.7 | 84% | 0.836 | 75% | 0.745 | S | S | * | * | | | | -171.3 | 132.9 | 128.2 | -97.5 | 155.3 | 16.8 | 0 | 0 | 106.2 | | |
| 780 | E | 28.7 | Very low | 36.1 | Very low | 160 Ų | 160 | 133.2 Ų | 133.2 | 75% | 0.748 | 74% | 0.737 | S | S | * | * | | | | 74.8 | 142 | 50.2 | -153.8 | -168.5 | 137.2 | 0 | 0 | 113.2 | | |
| 781 | Q | 31 | Very low | 36.2 | Very low | 136 Ų | 136 | 136.9 Ų | 136.9 | 64% | 0.636 | 74% | 0.744 | S | S | * | * | | | trans | 79.9 | 145.2 | -176.2 | -56 | -165.3 | 5 | 0 | 0 | 115.3 | | |
| 782 | R | 35.5 | Very low | 36.5 | Very low | 191 Ų | 191 | 135.6 Ų | 135.6 | 72% | 0.721 | 74% | 0.744 | S | S | * | * | | | cis | -158.8 | 142.2 | 0.7 | -129.1 | 167.7 | -175.5 | 165.8 | -2.7 | 113.8 | | |
| 783 | T | 34.3 | Very low | 36.9 | Very low | 118 Ų | 118 | 134.5 Ų | 134.5 | 72% | 0.724 | 75% | 0.749 | S | S | * | * | | | trans | 44 | 136.3 | 142.6 | 51.3 | 0 | 0 | 0 | 0 | 121.4 | | |
| 784 | S | 41.3 | Very low | 36.8 | Very low | 115 Ų | 115 | 130.9 Ų | 130.9 | 80% | 0.804 | 75% | 0.749 | S | S | * | * | | | | -165.8 | 165.4 | 75.5 | 32.3 | 0 | 0 | 0 | 0 | 113.8 | | |
| 785 | P | 36.5 | Very low | 36.5 | Very low | 111 Ų | 111 | 131.4 Ų | 131.4 | 72% | 0.721 | 75% | 0.748 | S | S | * | * | | | trans | -131.7 | 164.3 | -144.6 | 43.6 | -29.1 | 0 | 0 | 0 | 118.9 | | |
| 786 | V | 35.4 | Very low | 36.7 | Very low | 130 Ų | 130 | 135 Ų | 135 | 79% | 0.788 | 75% | 0.749 | S | S | * | * | | | trans | 27 | 120.6 | 133.4 | -172.2 | 0 | 0 | 0 | 0 | 120.4 | | |
| 787 | E | 38.4 | Very low | 36.4 | Very low | 162 Ų | 162 | 134.7 Ų | 134.7 | 76% | 0.757 | 75% | 0.75 | S | S | * | * | | | | -174.1 | 137.5 | 116 | -95.2 | -160.2 | 111.1 | 0 | 0 | 108.8 | | |
| 788 | R | 33 | Very low | 36.6 | Very low | 214 Ų | 214 | 136.3 Ų | 136.3 | 81% | 0.808 | 75% | 0.751 | S | S | * | * | | | | 68.7 | 138.7 | 67.9 | -169.8 | 179 | -85.3 | -136.4 | -0.9 | 110.8 | | |
| 789 | P | 38.6 | Very low | 36.7 | Very low | 115 Ų | 115 | 138.4 Ų | 138.4 | 75% | 0.747 | 75% | 0.753 | S | S | * | * | | | cis | -128.2 | -175.4 | 21.3 | 47.5 | -32.9 | 0 | 0 | 0 | 113.1 | | |
| 790 | S | 40 | Very low | 36.5 | Very low | 89 Ų | 89 | 137 Ų | 137 | 62% | 0.622 | 75% | 0.746 | S | S | * | * | | | cis | 175.7 | 135.6 | -20.1 | 57 | 0 | 0 | 0 | 0 | 109.5 | | |
| 791 | L | 40.8 | Very low | 36.8 | Very low | 162 Ų | 162 | 137.4 Ų | 137.4 | 85% | 0.848 | 75% | 0.748 | S | S | * | * | | | trans | 71.8 | 173.3 | 132.3 | -58.9 | 174.8 | 0 | 0 | 0 | 118.7 | | |
| 792 | P | 46.1 | Very low | 36.9 | Very low | 110 Ų | 110 | 135.6 Ų | 135.6 | 71% | 0.714 | 76% | 0.757 | S | S | * | * | | | | -139.4 | -140.8 | -98.9 | 42.6 | -17.7 | 0 | 0 | 0 | 110.5 | | |
| 793 | P | 46.6 | Very low | 36.9 | Very low | 118 Ų | 118 | 133.3 Ų | 133.3 | 77% | 0.766 | 76% | 0.763 | S | S | * | * | | | cis | -128 | -178.6 | -22.7 | 37.5 | -18.8 | 0 | 0 | 0 | 114.9 | | |
| 794 | A | 34.5 | Very low | 37 | Very low | 86 Ų | 86 | 132.2 Ų | 132.2 | 71% | 0.711 | 76% | 0.76 | S | S | * | * | | | trans | -68.4 | 162.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 795 | V | 39.5 | Very low | 36.7 | Very low | 121 Ų | 121 | 133 Ų | 133 | 73% | 0.733 | 76% | 0.755 | S | S | * | * | | | | -171 | 137.6 | 112.9 | -93.4 | 0 | 0 | 0 | 0 | 114.7 | | |
| 796 | K | 38.4 | Very low | 36.8 | Very low | 188 Ų | 188 | 134.5 Ų | 134.5 | 82% | 0.817 | 75% | 0.752 | S | S | * | * | | | trans | 57.7 | 118.6 | 140.7 | -60.5 | 165.5 | -172.8 | 175.4 | 0 | 122.2 | | |
| 797 | S | 30.2 | Very low | 37 | Very low | 115 Ų | 115 | 136.1 Ų | 136.1 | 80% | 0.804 | 75% | 0.751 | S | S | * | * | | | trans | 68.3 | 174.4 | 132.4 | -154 | 0 | 0 | 0 | 0 | 118.7 | | |
| 798 | V | 35.2 | Very low | 37.4 | Very low | 116 Ų | 116 | 136.1 Ų | 136.1 | 70% | 0.703 | 75% | 0.748 | S | S | * | * | | | trans | 66.7 | 106.2 | 170.2 | 179.6 | 0 | 0 | 0 | 0 | 113.6 | | |
| 799 | E | 33.1 | Very low | 37.8 | Very low | 171 Ų | 171 | 133.1 Ų | 133.1 | 80% | 0.799 | 74% | 0.744 | S | S | * | * | | | | 100.3 | 155.6 | 74.5 | -157.4 | 170 | 138.7 | 0 | 0 | 111.4 | | |
| 800 | E | 30.3 | Very low | 37.8 | Very low | 148 Ų | 148 | 134 Ų | 134 | 69% | 0.692 | 74% | 0.74 | S | S | * | * | | | trans | -21.6 | 131.6 | 169.9 | -157.1 | -164 | 100.6 | 0 | 0 | 117.9 | | |
| 801 | Q | 33.8 | Very low | 37.6 | Very low | 169 Ų | 169 | 135.6 Ų | 135.6 | 79% | 0.79 | 75% | 0.746 | S | S | * | * | | | | 175.3 | 156.3 | 109.6 | -92.2 | 177.6 | 11.4 | 0 | 0 | 114.3 | | |
| 802 | A | 32.5 | Very low | 37.4 | Very low | 99 Ų | 99 | 133.2 Ų | 133.2 | 82% | 0.818 | 74% | 0.738 | S | S | * | * | | | trans | -110.6 | 137.6 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 803 | V | 36 | Very low | 36.9 | Very low | 143 Ų | 143 | 135.4 Ų | 135.4 | 87% | 0.867 | 74% | 0.739 | S | S | * | * | | | trans | -147.4 | 134.2 | 173.6 | -179 | 0 | 0 | 0 | 0 | 108.9 | | |
| 804 | S | 36.7 | Very low | 36.4 | Very low | 94 Ų | 94 | 138 Ų | 138 | 66% | 0.657 | 74% | 0.738 | S | S | * | * | | | cis | -169.4 | -170.8 | -23 | -166.5 | 0 | 0 | 0 | 0 | 108.4 | | |
| 805 | L | 36.2 | Very low | 36.8 | Very low | 132 Ų | 132 | 141 Ų | 141 | 69% | 0.691 | 74% | 0.737 | S | S | * | * | | | trans | 77 | 128.9 | 164.1 | -41.6 | -172 | 0 | 0 | 0 | 115.7 | | |
| 806 | H | 38.3 | Very low | 36.5 | Very low | 143 Ų | 143 | 140.4 Ų | 140.4 | 66% | 0.662 | 74% | 0.739 | S | S | * | * | | | cis | -159.9 | 146.5 | 2.2 | -114.8 | 143.3 | 0 | 0 | 0 | 112.4 | | |
| 807 | Q | 38.5 | Very low | 36.7 | Very low | 163 Ų | 163 | 137.2 Ų | 137.2 | 76% | 0.762 | 74% | 0.738 | S | S | * | * | | | trans | 72.2 | 138.8 | 152.7 | -65 | 170.7 | 54.7 | 0 | 0 | 119 | | |
| 808 | K | 46.4 | Very low | 37.2 | Very low | 162 Ų | 162 | 137.3 Ų | 137.3 | 70% | 0.704 | 74% | 0.735 | S | S | * | * | | | cis | -169.8 | 125.5 | -10 | 174.2 | 164.6 | -174.1 | -176.7 | 0 | 112 | | |
| 809 | E | 41.4 | Very low | 36.9 | Very low | 152 Ų | 152 | 139.7 Ų | 139.7 | 71% | 0.71 | 74% | 0.743 | S | S | * | * | | | trans | 56.4 | 145 | 148.7 | -111.9 | 174.6 | 120 | 0 | 0 | 118.9 | | |
| 810 | I | 40.2 | Very low | 37.1 | Very low | 132 Ų | 132 | 140.5 Ų | 140.5 | 68% | 0.677 | 75% | 0.747 | S | S | * | * | | | cis | -149 | 129 | 27.7 | -90.6 | 166.9 | 0 | 0 | 0 | 106.6 | | |
| 811 | V | 36 | Very low | 37.1 | Very low | 123 Ų | 123 | 137.4 Ų | 137.4 | 75% | 0.745 | 74% | 0.742 | S | S | * | * | | | | 64.6 | 129.4 | 81.4 | 150.7 | 0 | 0 | 0 | 0 | 112.8 | | |
| 812 | V | 36.4 | Very low | 37.3 | Very low | 113 Ų | 113 | 137.7 Ų | 137.7 | 69% | 0.685 | 75% | 0.745 | S | S | * | * | | | cis | -166 | 164.1 | -3.9 | 87.4 | 0 | 0 | 0 | 0 | 107.4 | | |
| 813 | Q | 35.4 | Very low | 37.2 | Very low | 156 Ų | 156 | 142.6 Ų | 142.6 | 73% | 0.729 | 75% | 0.748 | S | S | * | * | | | | 171.8 | 132.9 | 78.6 | -160.2 | 158 | 94.7 | 0 | 0 | 111.8 | | |
| 814 | K | 36 | Very low | 37.3 | Very low | 171 Ų | 171 | 144.1 Ų | 144.1 | 74% | 0.743 | 75% | 0.746 | S | S | * | * | | | trans | 50.9 | 150.9 | 151.6 | -71.9 | 172 | 155.9 | -115.8 | 0 | 120.7 | | |
| 815 | E | 43.2 | Very low | 36.9 | Very low | 149 Ų | 149 | 144.4 Ų | 144.4 | 70% | 0.696 | 75% | 0.748 | S | S | * | * | | | cis | -148.9 | 177.4 | 9.3 | -151 | 146.7 | 89.3 | 0 | 0 | 111.9 | | |
| 816 | S | 33.1 | Very low | 36.8 | Very low | 109 Ų | 109 | 145.9 Ų | 145.9 | 76% | 0.762 | 75% | 0.749 | S | S | * | * | | | trans | -164.2 | 177.9 | -176.2 | -50 | 0 | 0 | 0 | 0 | 111.6 | | |
| 817 | P | 41.3 | Very low | 36.4 | Very low | 122 Ų | 122 | 144.6 Ų | 144.6 | 79% | 0.792 | 75% | 0.751 | S | S | * | * | | | | -95.4 | -94.1 | -50.9 | 23 | -2.6 | 0 | 0 | 0 | 110.4 | | |
| 818 | P | 40.4 | Very low | 36.3 | Very low | 117 Ų | 117 | 144.6 Ų | 144.6 | 76% | 0.76 | 75% | 0.754 | S | S | * | * | | | cis | -110.6 | -139.9 | -14.5 | 44 | -30.6 | 0 | 0 | 0 | 112.8 | | |
| 819 | L | 30.7 | Very low | 35.7 | Very low | 166 Ų | 166 | 142.2 Ų | 142.2 | 87% | 0.869 | 75% | 0.753 | S | S | * | * | | | trans | -121.5 | 146.6 | 169.6 | -75.1 | 78.7 | 0 | 0 | 0 | 111.4 | | |
| 820 | E | 36 | Very low | 36 | Very low | 188 Ų | 188 | 139.8 Ų | 139.8 | 88% | 0.879 | 75% | 0.753 | S | S | * | * | | | trans | -169.3 | 153.7 | 152.5 | -105.6 | 172.6 | -149.8 | 0 | 0 | 106.3 | | |
| 821 | S | 31.5 | Very low | 35.9 | Very low | 82 Ų | 82 | 142.8 Ų | 142.8 | 57% | 0.573 | 76% | 0.761 | S | S | * | * | | | cis | 178.9 | 165.2 | -25.6 | 64.6 | 0 | 0 | 0 | 0 | 104.5 | | |
| 822 | M | 37.2 | Very low | 36.4 | Very low | 175 Ų | 175 | 145.3 Ų | 145.3 | 86% | 0.862 | 77% | 0.767 | S | S | * | * | | | trans | 65.2 | 117.6 | 178.5 | -47.8 | -170.5 | -176.4 | 0 | 0 | 114.4 | | |
| 823 | K | 30.5 | Very low | 36.6 | Very low | 203 Ų | 203 | 145.1 Ų | 145.1 | 88% | 0.883 | 77% | 0.771 | S | S | * | * | | | | 46.1 | 92.4 | 53.5 | -70.3 | -171.2 | 175.4 | -178.9 | 0 | 114.1 | | |
| 824 | E | 37.1 | Very low | 36.9 | Very low | 175 Ų | 175 | 143.4 Ų | 143.4 | 82% | 0.818 | 77% | 0.773 | S | S | * | * | | | | -156.9 | 152.5 | 126 | -122.6 | 175.9 | -173.8 | 0 | 0 | 113.3 | F826 | E824-F826 HydrophobicContact CG-CD2 4.27Å; E824-F826 HydrophobicContact CG-CE2 3.99Å |
| 825 | S | 29.7 | Very low | 37.9 | Very low | 100 Ų | 100 | 140.5 Ų | 140.5 | 70% | 0.699 | 77% | 0.772 | S | S | * | * | | | trans | -134.1 | 99.7 | -174 | 57.6 | 0 | 0 | 0 | 0 | 110.9 | | |
| 826 | F | 32.7 | Very low | 37.8 | Very low | 163 Ų | 163 | 137.7 Ų | 137.7 | 72% | 0.715 | 77% | 0.773 | S | S | * | * | | | trans | -136.5 | 129.8 | 171 | -72.1 | -79.5 | 0 | 0 | 0 | 108.5 | E824 | E824-F826 HydrophobicContact CG-CD2 4.27Å; E824-F826 HydrophobicContact CG-CE2 3.99Å |
| 827 | V | 31.7 | Very low | 38.2 | Very low | 115 Ų | 115 | 137.8 Ų | 137.8 | 70% | 0.697 | 77% | 0.769 | S | S | * | * | | | cis | 78.7 | 86.5 | 29.4 | -169.2 | 0 | 0 | 0 | 0 | 113.8 | V829 | V827-V829 HydrophobicContact CG1-CG2 3.93Š|
| 828 | I | 36.5 | Very low | 38.3 | Very low | 163 Ų | 163 | 141.2 Ų | 141.2 | 84% | 0.836 | 77% | 0.772 | S | S | * | * | | | trans | -143.9 | 105.4 | 165.6 | -51.8 | 177 | 0 | 0 | 0 | 105.3 | | |
| 829 | V | 33.5 | Very low | 38 | Very low | 112 Ų | 112 | 144.1 Ų | 144.1 | 68% | 0.679 | 77% | 0.772 | S | S | * | * | | | cis | 81 | 103.6 | 42.7 | -175.5 | 0 | 0 | 0 | 0 | 114.1 | V827 | V827-V829 HydrophobicContact CG1-CG2 3.93Š|
| 830 | S | 45.9 | Very low | 38.5 | Very low | 101 Ų | 101 | 141.9 Ų | 141.9 | 71% | 0.706 | 77% | 0.766 | S | S | * | * | | | trans | -172 | 105.2 | 146.4 | -89.7 | 0 | 0 | 0 | 0 | 115.9 | | |
| 831 | K | 38.1 | Very low | 39 | Very low | 196 Ų | 196 | 137.7 Ų | 137.7 | 85% | 0.852 | 75% | 0.754 | S | S | * | * | | | trans | 65.3 | 153.9 | 143.3 | -50.9 | 174.8 | -176.7 | 172.8 | 0 | 117.1 | | |
| 832 | M | 48.4 | Very low | 39.1 | Very low | 175 Ų | 175 | 140.4 Ų | 140.4 | 86% | 0.862 | 76% | 0.763 | S | S | * | * | | | cis | -142.4 | 133 | 22 | -66.2 | 163.8 | 54.8 | 0 | 0 | 114.5 | | |
| 833 | S | 39.6 | Very low | 39.5 | Very low | 110 Ų | 110 | 136.8 Ų | 136.8 | 77% | 0.769 | 75% | 0.752 | S | S | * | * | | | trans | 51.8 | 116.1 | 139.2 | -173.4 | 0 | 0 | 0 | 0 | 123.5 | | |
| 834 | P | 42.1 | Very low | 39.8 | Very low | 119 Ų | 119 | 136.7 Ų | 136.7 | 77% | 0.773 | 75% | 0.752 | S | S | * | * | | | trans | -130.4 | 149.1 | 141.3 | 38.2 | -27.1 | 0 | 0 | 0 | 114.6 | | |
| 835 | P | 57.2 | Low | 40.3 | Very low | 111 Ų | 111 | 133.5 Ų | 133.5 | 72% | 0.721 | 75% | 0.746 | S | S | * | * | | | trans | -96.1 | 134.5 | 152.7 | 35.4 | -28.1 | 0 | 0 | 0 | 109.6 | | |
| 836 | A | 40.1 | Very low | 40.6 | Very low | 89 Ų | 89 | 137.1 Ų | 137.1 | 74% | 0.736 | 75% | 0.75 | S | S | * | * | | | cis | 66.1 | 132.1 | 47.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 837 | V | 42.5 | Very low | 40.7 | Very low | 111 Ų | 111 | 134.6 Ų | 134.6 | 67% | 0.673 | 75% | 0.747 | S | S | * | * | | | cis | -167.9 | 149.2 | 46.8 | 164.3 | 0 | 0 | 0 | 0 | 111.4 | | |
| 838 | K | 43.3 | Very low | 41 | Very low | 195 Ų | 195 | 137 Ų | 137 | 85% | 0.848 | 75% | 0.751 | S | S | * | * | | | trans | 70.1 | 158.4 | 161.9 | -74.9 | 157.2 | -158.1 | 165 | 0 | 119.5 | | |
| 839 | K | 34.6 | Very low | 41.1 | Very low | 177 Ų | 177 | 133.3 Ų | 133.3 | 77% | 0.77 | 75% | 0.745 | S | S | * | * | | | cis | -178.2 | 164.7 | -30.1 | -157.8 | -163.5 | 173 | -166.8 | 0 | 110 | | |
| 840 | V | 40.5 | Very low | 41.4 | Very low | 120 Ų | 120 | 133.7 Ų | 133.7 | 73% | 0.727 | 75% | 0.747 | S | S | * | * | | | trans | 70.8 | 151.6 | 160.1 | -77.6 | 0 | 0 | 0 | 0 | 119.9 | | |
| 841 | P | 46.8 | Very low | 41.1 | Very low | 99 Ų | 99 | 136.3 Ų | 136.3 | 64% | 0.643 | 75% | 0.746 | S | S | * | * | | | trans | -139.8 | -152.9 | -147.3 | 34.4 | -7.2 | 0 | 0 | 0 | 114.4 | | |
| 842 | D | 33 | Very low | 41 | Very low | 140 Ų | 140 | 132.8 Ų | 132.8 | 75% | 0.749 | 73% | 0.733 | S | S | * | * | | | trans | 73.5 | 172.8 | 156.7 | -56.3 | -23.4 | 0 | 0 | 0 | 117.5 | | |
| 843 | P | 46.7 | Very low | 40.4 | Very low | 98 Ų | 98 | 132.3 Ų | 132.3 | 64% | 0.636 | 73% | 0.728 | S | S | * | * | | | | -142.6 | 161.9 | -66.5 | 43 | -28.2 | 0 | 0 | 0 | 116.9 | | |
| 844 | F | 36.7 | Very low | 40.1 | Very low | 202 Ų | 202 | 131.4 Ų | 131.4 | 89% | 0.886 | 72% | 0.722 | S | S | * | * | | | trans | 58.4 | -164.8 | 154.1 | -69.8 | -56.3 | 0 | 0 | 0 | 117.1 | | |
| 845 | P | 46.3 | Very low | 39.7 | Very low | 107 Ų | 107 | 131 Ų | 131 | 70% | 0.695 | 72% | 0.722 | S | S | * | * | | | | -131 | -172.6 | -78.9 | 38.9 | -23.8 | 0 | 0 | 0 | 115.8 | | |
| 846 | K | 35.6 | Very low | 38.7 | Very low | 177 Ų | 177 | 128.8 Ų | 128.8 | 77% | 0.77 | 72% | 0.719 | S | S | * | * | | | trans | 102 | 122.4 | 134.7 | -129.3 | -165.6 | 174.9 | -165.7 | 0 | 120.5 | | |
| 847 | V | 36.1 | Very low | 38.3 | Very low | 109 Ų | 109 | 130.5 Ų | 130.5 | 66% | 0.661 | 72% | 0.716 | S | S | * | * | | | trans | 57.3 | 164.2 | 148.4 | -66.1 | 0 | 0 | 0 | 0 | 118.9 | | |
| 848 | E | 37.9 | Very low | 37.9 | Very low | 165 Ų | 165 | 133.4 Ų | 133.4 | 77% | 0.771 | 72% | 0.722 | S | S | * | * | | | cis | -153.7 | 167.2 | 11.7 | -148.9 | 139.7 | -123.4 | 0 | 0 | 113.2 | | |
| 849 | A | 37.2 | Very low | 37.4 | Very low | 87 Ų | 87 | 128.8 Ų | 128.8 | 72% | 0.719 | 71% | 0.714 | S | S | * | * | | | trans | 68.6 | 144.1 | 145.6 | 0 | 0 | 0 | 0 | 0 | 121.2 | | |
| 850 | V | 39.8 | Very low | 37.5 | Very low | 120 Ų | 120 | 125.2 Ų | 125.2 | 73% | 0.727 | 71% | 0.712 | S | S | * | * | | | cis | -166.8 | 147.8 | -14.2 | 98.3 | 0 | 0 | 0 | 0 | 111.8 | | |
| 851 | K | 39.8 | Very low | 37.4 | Very low | 155 Ų | 155 | 128 Ų | 128 | 67% | 0.674 | 72% | 0.717 | S | S | * | * | | | trans | 60.2 | 152 | 154.7 | -68.2 | -175 | 170.5 | -80.7 | 0 | 121 | | |
| 852 | E | 37.2 | Very low | 36.9 | Very low | 123 Ų | 123 | 128.3 Ų | 128.3 | 58% | 0.575 | 72% | 0.721 | S | S | * | * | | | cis | -168.4 | 159.8 | -21.5 | -115.6 | 163.4 | -168 | 0 | 0 | 110.9 | | |
| 853 | E | 35.3 | Very low | 36.8 | Very low | 165 Ų | 165 | 127 Ų | 127 | 77% | 0.771 | 72% | 0.718 | S | S | * | * | | | trans | 49.1 | 153.5 | 140.3 | -70.6 | -177.6 | 126.4 | 0 | 0 | 123.7 | | |
| 854 | S | 33.7 | Very low | 36.5 | Very low | 90 Ų | 90 | 128.8 Ų | 128.8 | 63% | 0.629 | 72% | 0.721 | S | S | * | * | | | cis | -172.2 | 155.9 | -18.2 | -174.6 | 0 | 0 | 0 | 0 | 112 | | |
| 855 | S | 33.6 | Very low | 36.3 | Very low | 112 Ų | 112 | 125 Ų | 125 | 78% | 0.783 | 72% | 0.715 | S | S | * | * | | | trans | 64.9 | 159 | 148.3 | 69.2 | 0 | 0 | 0 | 0 | 122.1 | | |
| 856 | G | 35.4 | Very low | 36.4 | Very low | 64 Ų | 64 | 125.5 Ų | 125.5 | 66% | 0.66 | 72% | 0.718 | S | S | * | * | | | trans | 108.8 | 64.2 | 164 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 857 | N | 31.3 | Very low | 36.9 | Very low | 125 Ų | 125 | 122 Ų | 122 | 67% | 0.668 | 71% | 0.714 | S | S | * | * | | | | 73.1 | 118.4 | 79.8 | -71.9 | 56.2 | 0 | 0 | 0 | 115.9 | | |
| 858 | E | 34.4 | Very low | 37 | Very low | 172 Ų | 172 | 124 Ų | 124 | 80% | 0.804 | 72% | 0.721 | S | S | * | * | | | trans | 67.3 | 148.5 | 133.2 | -67.3 | 169.8 | 123.8 | 0 | 0 | 119.8 | | |
| 859 | S | 32.9 | Very low | 37.1 | Very low | 97 Ų | 97 | 122.3 Ų | 122.3 | 68% | 0.678 | 72% | 0.722 | S | S | * | * | | | cis | -168 | 155.8 | -7.9 | 172 | 0 | 0 | 0 | 0 | 111.7 | | |
| 860 | S | 38 | Very low | 37.3 | Very low | 103 Ų | 103 | 123.9 Ų | 123.9 | 72% | 0.72 | 73% | 0.725 | S | S | * | * | | | trans | 80.3 | 150.5 | 148.6 | -71 | 0 | 0 | 0 | 0 | 124.5 | | |
| 861 | Q | 38.7 | Very low | 37.2 | Very low | 178 Ų | 178 | 122.8 Ų | 122.8 | 83% | 0.832 | 73% | 0.728 | S | S | * | * | | | trans | 68.6 | 110 | 162.7 | -69.3 | 175.1 | 6.5 | 0 | 0 | 117.8 | | |
| 862 | S | 36.1 | Very low | 37.1 | Very low | 105 Ų | 105 | 121.6 Ų | 121.6 | 73% | 0.734 | 73% | 0.734 | S | S | * | * | | | | 85.2 | 152 | 56.6 | 84.1 | 0 | 0 | 0 | 0 | 113 | | |
| 863 | T | 30.2 | Very low | 37.4 | Very low | 112 Ų | 112 | 120.9 Ų | 120.9 | 69% | 0.687 | 74% | 0.74 | S | S | * | * | | | cis | -165.1 | 168.5 | 16.2 | -158.8 | 0 | 0 | 0 | 0 | 113.1 | | |
| 864 | I | 39.6 | Very low | 37.6 | Very low | 136 Ų | 136 | 120.3 Ų | 120.3 | 70% | 0.697 | 75% | 0.747 | S | S | * | * | | | trans | 62.3 | 108.5 | 159.2 | -67.9 | 168.4 | 0 | 0 | 0 | 117.5 | | |
| 865 | T | 33.1 | Very low | 37.5 | Very low | 124 Ų | 124 | 120.3 Ų | 120.3 | 76% | 0.761 | 75% | 0.747 | S | S | * | * | | | | 88.6 | 141.4 | 66.3 | 49.1 | 0 | 0 | 0 | 0 | 118.4 | | |
| 866 | P | 49.3 | Very low | 38.1 | Very low | 116 Ų | 116 | 121.3 Ų | 121.3 | 75% | 0.753 | 75% | 0.751 | S | S | * | * | | | trans | -93.3 | -158.6 | -176.7 | 44.3 | -41.6 | 0 | 0 | 0 | 112 | | |
| 867 | P | 44.6 | Very low | 38.2 | Very low | 105 Ų | 105 | 124 Ų | 124 | 68% | 0.682 | 75% | 0.754 | S | S | * | * | | | cis | -143.2 | -168.9 | 3 | 44.8 | -24.1 | 0 | 0 | 0 | 117.3 | | |
| 868 | N | 39.7 | Very low | 38.4 | Very low | 151 Ų | 151 | 126 Ų | 126 | 81% | 0.807 | 77% | 0.765 | S | S | * | * | | | trans | 137.4 | 132 | 143.3 | -83.8 | -42.3 | 0 | 0 | 0 | 119 | | |
| 869 | T | 39.1 | Very low | 38.4 | Very low | 129 Ų | 129 | 124.3 Ų | 124.3 | 79% | 0.791 | 76% | 0.761 | S | S | * | * | | | trans | -71.6 | -179.3 | 159.5 | 30.4 | 0 | 0 | 0 | 0 | 113 | | |
| 870 | P | 42 | Very low | 38.4 | Very low | 120 Ų | 120 | 130.2 Ų | 130.2 | 78% | 0.779 | 77% | 0.768 | S | S | * | * | | | cis | -135.7 | -171.4 | 5.5 | 39.4 | -19.6 | 0 | 0 | 0 | 116.5 | | |
| 871 | A | 36.9 | Very low | 38.5 | Very low | 96 Ų | 96 | 132.1 Ų | 132.1 | 79% | 0.793 | 77% | 0.77 | S | S | * | * | | | trans | 99.4 | 129.2 | 145.3 | 0 | 0 | 0 | 0 | 0 | 122.4 | | |
| 872 | T | 37.8 | Very low | 38.8 | Very low | 131 Ų | 131 | 128.8 Ų | 128.8 | 80% | 0.804 | 76% | 0.764 | S | S | * | * | | | trans | -55.5 | -178.7 | 164.3 | 43.8 | 0 | 0 | 0 | 0 | 116.7 | | |
| 873 | P | 44.9 | Very low | 38.7 | Very low | 107 Ų | 107 | 130.6 Ų | 130.6 | 70% | 0.695 | 77% | 0.766 | S | S | * | * | | | cis | -139.1 | 169.4 | -36.2 | 36.9 | -20.9 | 0 | 0 | 0 | 114 | | |
| 874 | V | 38.5 | Very low | 38.9 | Very low | 154 Ų | 154 | 131.9 Ų | 131.9 | 93% | 0.933 | 77% | 0.768 | S | S | * | * | | | trans | -168.9 | 168.7 | 145.3 | -102.3 | 0 | 0 | 0 | 0 | 113.3 | | |
| 875 | S | 31.6 | Very low | 38.8 | Very low | 90 Ų | 90 | 132.2 Ų | 132.2 | 63% | 0.629 | 78% | 0.777 | S | S | * | * | | | trans | -83.1 | 155.9 | -175.6 | 55.3 | 0 | 0 | 0 | 0 | 116.3 | | |
| 876 | P | 45.5 | Very low | 38.9 | Very low | 133 Ų | 133 | 134 Ų | 134 | 86% | 0.864 | 78% | 0.778 | S | S | * | * | | | trans | -71.7 | 148.8 | 163.1 | 32.2 | -34.7 | 0 | 0 | 0 | 112.2 | | |
| 877 | V | 37.6 | Very low | 38.4 | Very low | 120 Ų | 120 | 133.6 Ų | 133.6 | 73% | 0.727 | 79% | 0.785 | S | S | * | * | | | trans | -112.7 | 143 | -177.6 | 178.5 | 0 | 0 | 0 | 0 | 110.7 | L879 | V877-L879 HydrophobicContact CG1-CD1 4Å; V877-L879 PolarHBondContact O-N 2.8Å |
| 878 | N | 37 | Very low | 37.7 | Very low | 166 Ų | 166 | 136.3 Ų | 136.3 | 89% | 0.888 | 79% | 0.788 | S | S | * | * | | | trans | -72.6 | 121.1 | 178.7 | -80.5 | -61.6 | 0 | 0 | 0 | 113.3 | | |
| 879 | L | 33.4 | Very low | 37.7 | Very low | 138 Ų | 138 | 136.4 Ų | 136.4 | 72% | 0.723 | 79% | 0.787 | S | S | * | * | | | trans | -150.9 | 147.9 | 165.8 | -78.3 | 104.2 | 0 | 0 | 0 | 108.5 | V877 | V877-L879 HydrophobicContact CG1-CD1 4Å; V877-L879 PolarHBondContact O-N 2.8Å |
| 880 | R | 34 | Very low | 37.7 | Very low | 220 Ų | 220 | 137.9 Ų | 137.9 | 83% | 0.83 | 79% | 0.785 | S | S | * | * | | | cis | -167.9 | 142 | -10.1 | 169.4 | 170.8 | -175.4 | 139.3 | 0.1 | 109.8 | | |
| 881 | N | 40.1 | Very low | 37.3 | Very low | 144 Ų | 144 | 140.5 Ų | 140.5 | 77% | 0.77 | 79% | 0.787 | S | S | * | * | | | trans | -79.7 | 144.3 | 176 | -136.6 | 77.9 | 0 | 0 | 0 | 112.3 | | |
| 882 | P | 43.8 | Very low | 37.3 | Very low | 107 Ų | 107 | 140.1 Ų | 140.1 | 70% | 0.695 | 78% | 0.779 | S | S | * | * | | | | -134.6 | -170.7 | 109.6 | 42.9 | -32.7 | 0 | 0 | 0 | 110.6 | | |
| 883 | N | 35 | Very low | 37.3 | Very low | 144 Ų | 144 | 141.7 Ų | 141.7 | 77% | 0.77 | 78% | 0.777 | S | S | * | * | | | cis | -149.2 | 176.4 | 7.5 | -162.7 | 16.2 | 0 | 0 | 0 | 111.5 | | |
| 884 | N | 33.6 | Very low | 36.9 | Very low | 139 Ų | 139 | 145.7 Ų | 145.7 | 74% | 0.743 | 78% | 0.778 | S | S | * | * | | | trans | -81.5 | 161.4 | 169.6 | -67.1 | -19.4 | 0 | 0 | 0 | 113.6 | | |
| 885 | T | 36.6 | Very low | 36.9 | Very low | 142 Ų | 142 | 144.4 Ų | 144.4 | 87% | 0.871 | 77% | 0.766 | S | S | * | * | | | | -161.7 | 152.8 | 123.5 | -72.5 | 0 | 0 | 0 | 0 | 109.7 | | |
| 886 | M | 36.2 | Very low | 37.1 | Very low | 162 Ų | 162 | 147.7 Ų | 147.7 | 80% | 0.798 | 77% | 0.772 | S | S | * | * | | | trans | -89.2 | 156.6 | -170.7 | -58.2 | 163.5 | 74.9 | 0 | 0 | 114.2 | | |
| 887 | A | 38.3 | Very low | 37 | Very low | 108 Ų | 108 | 146.9 Ų | 146.9 | 89% | 0.893 | 77% | 0.766 | S | S | * | * | | | trans | -151.9 | 148.6 | 140.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 888 | E | 30.1 | Very low | 37.2 | Very low | 161 Ų | 161 | 144.9 Ų | 144.9 | 75% | 0.752 | 76% | 0.762 | S | S | * | * | | | trans | -137.6 | 154 | -167.8 | 176.3 | -178 | 154.6 | 0 | 0 | 109.5 | | |
| 889 | I | 40.9 | Very low | 37.5 | Very low | 153 Ų | 153 | 142.6 Ų | 142.6 | 79% | 0.785 | 76% | 0.756 | S | S | * | * | | | trans | -176.4 | 131.6 | 149.8 | -97.1 | 149.5 | 0 | 0 | 0 | 111.6 | | |
| 890 | E | 38 | Very low | 38.1 | Very low | 160 Ų | 160 | 140.8 Ų | 140.8 | 75% | 0.748 | 76% | 0.755 | S | S | * | * | | | trans | 23.4 | 131.2 | 153.5 | -54.3 | -172.2 | 113.4 | 0 | 0 | 121.6 | | |
| 891 | Q | 33.4 | Very low | 38.4 | Very low | 175 Ų | 175 | 135.9 Ų | 135.9 | 82% | 0.818 | 75% | 0.754 | S | S | * | * | | | | 70.2 | 133.7 | 57.9 | -61.9 | -169.2 | 26.8 | 0 | 0 | 113.7 | | |
| 892 | S | 36.7 | Very low | 39 | Very low | 88 Ų | 88 | 138.5 Ų | 138.5 | 62% | 0.615 | 76% | 0.759 | S | S | * | * | | | cis | -171.3 | 157.4 | 48.2 | -129.5 | 0 | 0 | 0 | 0 | 114.8 | | |
| 893 | Q | 38.4 | Very low | 39.3 | Very low | 165 Ų | 165 | 139.5 Ų | 139.5 | 77% | 0.771 | 77% | 0.765 | S | S | * | * | | | trans | 62.6 | 152 | 152.3 | -61 | -175.5 | 20.6 | 0 | 0 | 120.5 | | |
| 894 | R | 36.1 | Very low | 40.4 | Very low | 191 Ų | 191 | 140.4 Ų | 140.4 | 72% | 0.721 | 77% | 0.769 | S | S | * | * | | | cis | -170 | 169.8 | -12.9 | -96.8 | 177.1 | 89.2 | 115.9 | 16.4 | 106.4 | | |
| 895 | D | 39.3 | Very low | 41.9 | Very low | 126 Ų | 126 | 139 Ų | 139 | 67% | 0.674 | 77% | 0.768 | S | S | * | * | | | cis | -154.3 | -131.1 | 2.7 | -121.9 | 9.2 | 0 | 0 | 0 | 111.7 | | |
| 896 | E | 36.2 | Very low | 43.2 | Very low | 160 Ų | 160 | 138 Ų | 138 | 75% | 0.748 | 76% | 0.762 | S | S | * | * | | | trans | -126 | 178.1 | -172 | -105.3 | -100.4 | 114.4 | 0 | 0 | 112.3 | | |
| 897 | P | 41.5 | Very low | 44.5 | Very low | 116 Ų | 116 | 136.2 Ų | 136.2 | 75% | 0.753 | 76% | 0.76 | S | S | * | * | | | cis | -134.7 | 175.9 | 14.1 | 40.3 | -20 | 0 | 0 | 0 | 119.7 | | |
| 898 | A | 42.2 | Very low | 45.9 | Very low | 77 Ų | 77 | 141 Ų | 141 | 64% | 0.636 | 76% | 0.757 | S | S | * | * | | | trans | -79.3 | 175.6 | -175.1 | 0 | 0 | 0 | 0 | 0 | 117.7 | | |
| 899 | P | 44.6 | Very low | 47.7 | Very low | 118 Ų | 118 | 143.8 Ų | 143.8 | 77% | 0.766 | 76% | 0.76 | S | S | * | * | | | | -149.8 | 155.2 | 107.4 | 39.9 | -24.1 | 0 | 0 | 0 | 119.6 | | |
| 900 | S | 44.7 | Very low | 49 | Very low | 101 Ų | 101 | 145.2 Ų | 145.2 | 71% | 0.706 | 76% | 0.757 | S | S | * | * | | | trans | 54.3 | 98.3 | 148.5 | 62.9 | 0 | 0 | 0 | 0 | 123.3 | | |
| 901 | S | 39.8 | Very low | 50.4 | Low | 116 Ų | 116 | 143.5 Ų | 143.5 | 81% | 0.811 | 76% | 0.763 | S | S | * | * | | | | 35.3 | 120 | 126.8 | 62.5 | 0 | 0 | 0 | 0 | 121.8 | | |
| 902 | K | 54.5 | Low | 52.6 | Low | 200 Ų | 200 | 136.6 Ų | 136.6 | 87% | 0.87 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -100.3 | 151.6 | 153.4 | -69.6 | 175.7 | -177.9 | 173.4 | 0 | 109.7 | | |
| 903 | P | 48.6 | Very low | 54.4 | Low | 127 Ų | 127 | 137.6 Ų | 137.6 | 83% | 0.825 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -67 | 149.4 | -175.5 | 27.4 | -35.3 | 0 | 0 | 0 | 112.8 | | |
| 904 | L | 58.3 | Low | 56 | Low | 163 Ų | 163 | 134.3 Ų | 134.3 | 85% | 0.853 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 144.8 | 175.1 | -72 | 167.6 | 0 | 0 | 0 | 111.3 | | |
| 905 | P | 64.9 | Low | 57.6 | Low | 111 Ų | 111 | 131 Ų | 131 | 72% | 0.721 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -65 | 144.2 | 175.4 | 28.4 | -34.7 | 0 | 0 | 0 | 111.2 | T907 | P905-T907 PolarHBondContact O-N 2.83Å; P905-T907 VanDerWaalsContact O-N 3.09Å |
| 906 | T | 63.8 | Low | 58.9 | Low | 120 Ų | 120 | 129.6 Ų | 129.6 | 74% | 0.736 | 73% | 0.734 | S | S | * | * | | | trans | -65.9 | 107.9 | 179.9 | 48 | 0 | 0 | 0 | 0 | 111.6 | Y908 | T906-Y908 PolarHBondContact O-N 2.91Š|
| 907 | T | 63.8 | Low | 60.5 | Low | 125 Ų | 125 | 126.7 Ų | 126.7 | 77% | 0.767 | 72% | 0.724 | S | S | * | * | | | trans | -68.3 | 90.7 | 175.8 | -58.3 | 0 | 0 | 0 | 0 | 111.3 | P905 R909 | P905-T907 PolarHBondContact O-N 2.83Å; P905-T907 VanDerWaalsContact O-N 3.09Å; T907-R909 HydrophobicContact CG2-CG 4.47Å; T907-R909 PolarHBondContact O-N 2.95Å |
| 908 | Y | 68.5 | Low | 61.6 | Low | 208 Ų | 208 | 128.6 Ų | 128.6 | 82% | 0.816 | 72% | 0.72 | S | S | * | * | | | trans | -67.7 | 111.1 | 164.4 | -89.8 | -97.5 | 0 | 0 | 0 | 109.7 | T906 | T906-Y908 PolarHBondContact O-N 2.91Š|
| 909 | R | 67.1 | Low | 62.8 | Low | 220 Ų | 220 | 128.1 Ų | 128.1 | 83% | 0.83 | 72% | 0.716 | S | S | * | * | | | trans | -84.7 | 133.2 | 161.4 | -73.5 | -156.6 | 175.7 | -156.4 | 3.2 | 109.3 | T907 S911 | T907-R909 HydrophobicContact CG2-CG 4.47Å; T907-R909 PolarHBondContact O-N 2.95Å; R909-S911 PolarHBondContact O-N 3.01Å |
| 910 | Y | 69.3 | Low | 63.9 | Low | 182 Ų | 182 | 125.8 Ų | 125.8 | 71% | 0.714 | 70% | 0.7 | S | S | * | * | | | trans | -79.8 | 105.4 | 179.2 | -179.7 | -105 | 0 | 0 | 0 | 110.3 | G912 | Y910-G912 VanDerWaalsContact CE1-C 3.42Å; Y910-G912 WeakPolarHBondContact CE1-O 3.22Å; Y910-G912 VanDerWaalsContact CZ-O 3.23Å; Y910-G912 PolarHBondContact O-N 3.22Å; Y910-G912 PolarHBondContact OH-O 2.86Å |
| 911 | S | 66.7 | Low | 64.7 | Low | 124 Ų | 124 | 131.1 Ų | 131.1 | 87% | 0.867 | 71% | 0.705 | S | S | * | * | | | trans | -77.1 | 46.7 | -177.3 | -56 | 0 | 0 | 0 | 0 | 113.8 | R909 | R909-S911 PolarHBondContact O-N 3.01Š|
| 912 | G | 79.9 | Confident | 66.1 | Low | 31 Ų | 31 | 130.8 Ų | 130.8 | 32% | 0.32 | 70% | 0.702 | S | S | . | * | S | Bend | trans | 70.6 | -178.9 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | Y910 | Y910-G912 VanDerWaalsContact CE1-C 3.42Å; Y910-G912 WeakPolarHBondContact CE1-O 3.22Å; Y910-G912 VanDerWaalsContact CZ-O 3.23Å; Y910-G912 PolarHBondContact O-N 3.22Å; Y910-G912 PolarHBondContact OH-O 2.86Å |
| 913 | P | 74.5 | Confident | 66.9 | Low | 109 Ų | 109 | 128.2 Ų | 128.2 | 71% | 0.708 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -62 | 133.5 | 172.2 | -17.8 | 31.6 | 0 | 0 | 0 | 110.3 | S915 | P913-S915 PolarHBondContact O-N 2.78Š|
| 914 | P | 71.5 | Confident | 67.8 | Low | 95 Ų | 95 | 132.6 Ų | 132.6 | 62% | 0.617 | 69% | 0.694 | S | S | * | * | | | trans | -63.2 | 131.4 | 176.9 | 26.1 | -33.7 | 0 | 0 | 0 | 110.3 | I916 | P914-I916 HydrophobicContact CG-CG1 4.43Å; P914-I916 PolarHBondContact O-N 3.26Å |
| 915 | S | 70.5 | Confident | 68.5 | Low | 122 Ų | 122 | 130.4 Ų | 130.4 | 85% | 0.853 | 69% | 0.689 | S | S | * | * | | | trans | -72.1 | 76.4 | 176.1 | 43.2 | 0 | 0 | 0 | 0 | 111 | P913 N917 | P913-S915 PolarHBondContact O-N 2.78Å; S915-N917 PolarHBondContact O-N 3.22Å |
| 916 | I | 65.1 | Low | 68.7 | Low | 96 Ų | 96 | 134.7 Ų | 134.7 | 49% | 0.492 | 70% | 0.697 | S | S | . | * | | | trans | -66.3 | 95.6 | 177.6 | -63.8 | 175.8 | 0 | 0 | 0 | 109.1 | P914 F918 | P914-I916 HydrophobicContact CG-CG1 4.43Å; P914-I916 PolarHBondContact O-N 3.26Å; I916-F918 HydrophobicContact CG2-CD1 4.23Å; I916-F918 HydrophobicContact CG2-CE1 4.13Å; I916-F918 HydrophobicContact CG2-CZ 4.38Å; I916-F918 WeakPolarHBondContact O-CD2 3.2Å; I916-F918 PolarHBondContact O-N 2.68Å |
| 917 | N | 69.7 | Low | 69 | Low | 100 Ų | 100 | 133.6 Ų | 133.6 | 54% | 0.535 | 69% | 0.694 | S | S | . | * | | | trans | -70.2 | 99.7 | 168 | 179.6 | -2.2 | 0 | 0 | 0 | 109 | S915 A919 T920 | S915-N917 PolarHBondContact O-N 3.22Å; N917-A919 PolarHBondContact O-N 2.86Å; N917-A919 VanDerWaalsContact OD1-CB 3.26Å; N917-A919 WeakPolarHBondContact OD1-CB 3.25Å; N917-A919 PolarHBondContact OD1-N 2.97Å; N917-A919 VanDerWaalsContact OD1-N 3.1Å; N917-T920 HydrophobicContact CB-CG2 4.19Å; N917-T920 WeakPolarHBondContact O-CB 3.49Å; N917-T920 PolarHBondContact O-N 2.76Å; N917-T920 PolarHBondContact O-OG1 3.29Å |
| 918 | F | 65.4 | Low | 68.9 | Low | 155 Ų | 155 | 134 Ų | 134 | 68% | 0.68 | 70% | 0.696 | S | S | * | * | G | 310 helix | trans | -57.3 | -20.4 | -178.7 | -66.9 | -79.5 | 0 | 0 | 0 | 114.3 | I916 T920 W921 | I916-F918 HydrophobicContact CG2-CD1 4.23Å; I916-F918 HydrophobicContact CG2-CE1 4.13Å; I916-F918 HydrophobicContact CG2-CZ 4.38Å; I916-F918 WeakPolarHBondContact O-CD2 3.2Å; I916-F918 PolarHBondContact O-N 2.68Å; F918-T920 PolarHBondContact O-N 3.36Å; F918-W921 PolarHBondContact O-N 3.26Å |
| 919 | A | 67.9 | Low | 68.4 | Low | 67 Ų | 67 | 130 Ų | 130 | 55% | 0.554 | 69% | 0.693 | S | S | * | * | G | 310 helix | trans | -60.5 | -29.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | N917 W921 S922 | N917-A919 PolarHBondContact O-N 2.86Å; N917-A919 VanDerWaalsContact OD1-CB 3.26Å; N917-A919 WeakPolarHBondContact OD1-CB 3.25Å; N917-A919 PolarHBondContact OD1-N 2.97Å; N917-A919 VanDerWaalsContact OD1-N 3.1Å; A919-W921 PolarHBondContact O-N 3.43Å; A919-S922 PolarHBondContact O-N 2.91Å; A919-S922 PolarHBondContact O-OG 3.32Å; A919-S922 VanDerWaalsContact O-OG 3.05Å |
| 920 | T | 66.9 | Low | 68.4 | Low | 70 Ų | 70 | 123.8 Ų | 123.8 | 43% | 0.429 | 69% | 0.688 | S | S | . | * | G | 310 helix | trans | -68.8 | -16 | -179.1 | 63.4 | 0 | 0 | 0 | 0 | 114 | N917 F918 S922 E923 | N917-T920 HydrophobicContact CB-CG2 4.19Å; N917-T920 WeakPolarHBondContact O-CB 3.49Å; N917-T920 PolarHBondContact O-N 2.76Å; N917-T920 PolarHBondContact O-OG1 3.29Å; F918-T920 PolarHBondContact O-N 3.36Å; T920-S922 PolarHBondContact O-N 3.02Å; T920-E923 PolarHBondContact O-N 2.89Å |
| 921 | W | 63 | Low | 68.4 | Low | 212 Ų | 212 | 122.2 Ų | 122.2 | 80% | 0.803 | 69% | 0.691 | S | S | * | * | G | 310 helix | trans | -64.1 | -22.8 | 178.1 | -86.6 | 42.1 | 0 | 0 | 0 | 113.4 | F918 A919 | F918-W921 PolarHBondContact O-N 3.26Å; A919-W921 PolarHBondContact O-N 3.43Å |
| 922 | S | 69 | Low | 68.9 | Low | 109 Ų | 109 | 123.6 Ų | 123.6 | 76% | 0.762 | 68% | 0.681 | S | S | * | * | G | 310 helix | trans | -87 | -21.1 | 171.5 | 68.9 | 0 | 0 | 0 | 0 | 113.2 | A919 T920 R924 | A919-S922 PolarHBondContact O-N 2.91Å; A919-S922 PolarHBondContact O-OG 3.32Å; A919-S922 VanDerWaalsContact O-OG 3.05Å; T920-S922 PolarHBondContact O-N 3.02Å; S922-R924 VanDerWaalsContact C-N 3.31Å; S922-R924 PolarHBondContact O-N 3.43Å |
| 923 | E | 70.1 | Confident | 68.2 | Low | 147 Ų | 147 | 129.7 Ų | 129.7 | 69% | 0.687 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -84.8 | 72.3 | -178.9 | -171.5 | 156.8 | -142.7 | 0 | 0 | 111.5 | T920 P925 | T920-E923 PolarHBondContact O-N 2.89Å; E923-P925 WeakPolarHBondContact O-CD 3.17Å; E923-P925 VanDerWaalsContact O-N 3.13Å |
| 924 | R | 68.2 | Low | 67.8 | Low | 219 Ų | 219 | 129.1 Ų | 129.1 | 83% | 0.826 | 69% | 0.694 | S | S | * | * | | | trans | -56 | 115.3 | 178.4 | -162.5 | -178.2 | -155.8 | 125.1 | 4 | 110.6 | S922 K926 | S922-R924 VanDerWaalsContact C-N 3.31Å; S922-R924 PolarHBondContact O-N 3.43Å; R924-K926 PolarHBondContact O-N 2.8Å |
| 925 | P | 73 | Confident | 67.7 | Low | 116 Ų | 116 | 127.9 Ų | 127.9 | 75% | 0.753 | 70% | 0.699 | S | S | * | * | | | trans | -62.9 | 124.9 | -173.9 | 22.7 | -33 | 0 | 0 | 0 | 110.9 | E923 S927 | E923-P925 WeakPolarHBondContact O-CD 3.17Å; E923-P925 VanDerWaalsContact O-N 3.13Å; P925-S927 VanDerWaalsContact C-N 3.28Å; P925-S927 PolarHBondContact O-N 3.49Å |
| 926 | K | 68.2 | Low | 67.6 | Low | 202 Ų | 202 | 129 Ų | 129 | 88% | 0.878 | 70% | 0.696 | S | S | * | * | | | trans | -86.5 | 5.6 | -178.3 | -68.8 | 169.6 | -174.7 | 147 | 0 | 113.6 | R924 T928 | R924-K926 PolarHBondContact O-N 2.8Å; K926-T928 PolarHBondContact O-N 3.38Å |
| 927 | S | 71.7 | Confident | 67 | Low | 97 Ų | 97 | 134.5 Ų | 134.5 | 68% | 0.678 | 71% | 0.711 | S | S | * | * | | | trans | -69.2 | 125.1 | 176.8 | -172.5 | 0 | 0 | 0 | 0 | 110.6 | P925 V929 | P925-S927 VanDerWaalsContact C-N 3.28Å; P925-S927 PolarHBondContact O-N 3.49Å; S927-V929 PolarHBondContact O-N 2.83Å; S927-V929 VanDerWaalsContact O-N 3.08Å |
| 928 | T | 60.3 | Low | 66.7 | Low | 133 Ų | 133 | 137 Ų | 137 | 82% | 0.816 | 72% | 0.724 | S | S | * | * | | | trans | -77.3 | 90.5 | 173.9 | 48 | 0 | 0 | 0 | 0 | 109.7 | K926 A930 | K926-T928 PolarHBondContact O-N 3.38Å; T928-A930 PolarHBondContact O-N 2.81Å |
| 929 | V | 59.4 | Low | 66 | Low | 125 Ų | 125 | 140 Ų | 140 | 76% | 0.758 | 74% | 0.736 | S | S | * | * | | | trans | -65.5 | 97.5 | 172.1 | -177.3 | 0 | 0 | 0 | 0 | 108.9 | S927 I931 | S927-V929 PolarHBondContact O-N 2.83Å; S927-V929 VanDerWaalsContact O-N 3.08Å; V929-I931 PolarHBondContact O-N 3.42Å |
| 930 | A | 66.3 | Low | 64.9 | Low | 88 Ų | 88 | 140.7 Ų | 140.7 | 73% | 0.727 | 75% | 0.751 | S | S | * | * | | | trans | -73.1 | 110.8 | 167.9 | 0 | 0 | 0 | 0 | 0 | 108.3 | T928 K932 | T928-A930 PolarHBondContact O-N 2.81Å; A930-K932 PolarHBondContact O-N 3.4Å |
| 931 | I | 69.9 | Low | 64 | Low | 150 Ų | 150 | 140.9 Ų | 140.9 | 77% | 0.769 | 77% | 0.766 | S | S | * | * | | | trans | -68.4 | 100.6 | 169.3 | -57.9 | 176 | 0 | 0 | 0 | 106.4 | V929 | V929-I931 PolarHBondContact O-N 3.42Š|
| 932 | K | 77.1 | Confident | 63.1 | Low | 152 Ų | 152 | 136 Ų | 136 | 66% | 0.661 | 77% | 0.772 | S | S | * | * | | | trans | -78.2 | 138 | 179.2 | -160.6 | 176.4 | 177.7 | -144.1 | 0 | 108.6 | A930 E934 | A930-K932 PolarHBondContact O-N 3.4Å; K932-E934 HydrophobicContact CB-CG 4.24Å; K932-E934 HydrophobicContact CD-CG 4.25Å; K932-E934 WeakPolarHBondContact CD-OE1 3.29Å; K932-E934 WeakPolarHBondContact CE-OE1 3.29Å; K932-E934 HydrophobicContact CG-CG 4.14Å; K932-E934 IonicContact NZ-OE1 2.68Å; K932-E934 PolarHBondContact NZ-OE1 3.16Å; K932-E934 PolarHBondContact O-N 2.72Å |
| 933 | N | 65.7 | Low | 62.3 | Low | 160 Ų | 160 | 134.6 Ų | 134.6 | 86% | 0.856 | 77% | 0.774 | S | S | * | * | | | trans | -76.5 | 36.3 | -168.8 | -51.8 | 3.8 | 0 | 0 | 0 | 113.5 | | |
| 934 | E | 65.5 | Low | 61.3 | Low | 96 Ų | 96 | 137.2 Ų | 137.2 | 45% | 0.449 | 78% | 0.783 | S | S | . | * | | | trans | -67.7 | 138.7 | -173.7 | -55.4 | -67.5 | -170.3 | 0 | 0 | 111.4 | K932 D936 | K932-E934 HydrophobicContact CB-CG 4.24Å; K932-E934 HydrophobicContact CD-CG 4.25Å; K932-E934 WeakPolarHBondContact CD-OE1 3.29Å; K932-E934 WeakPolarHBondContact CE-OE1 3.29Å; K932-E934 HydrophobicContact CG-CG 4.14Å; K932-E934 IonicContact NZ-OE1 2.68Å; K932-E934 PolarHBondContact NZ-OE1 3.16Å; K932-E934 PolarHBondContact O-N 2.72Å; E934-D936 PolarHBondContact O-N 2.77Å; E934-D936 VanDerWaalsContact O-N 3.14Å |
| 935 | G | 68.7 | Low | 60.1 | Low | 69 Ų | 69 | 132.2 Ų | 132.2 | 71% | 0.711 | 78% | 0.782 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.1 | 0.9 | -173.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | Y937 | G935-Y937 PolarHBondContact O-N 3.31Š|
| 936 | D | 69.6 | Low | 58.8 | Low | 146 Ų | 146 | 136.6 Ų | 136.6 | 78% | 0.781 | 79% | 0.792 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.5 | -11 | -172.7 | -68.9 | -28.9 | 0 | 0 | 0 | 114.3 | E934 I938 | E934-D936 PolarHBondContact O-N 2.77Å; E934-D936 VanDerWaalsContact O-N 3.14Å; D936-I938 PolarHBondContact O-N 3.06Å |
| 937 | Y | 51 | Low | 57.3 | Low | 211 Ų | 211 | 134.9 Ų | 134.9 | 83% | 0.827 | 79% | 0.787 | S | S | * | * | | | trans | -77 | 58.6 | 174.8 | -72.9 | -72.1 | 0 | 0 | 0 | 113 | G935 F939 | G935-Y937 PolarHBondContact O-N 3.31Å; Y937-F939 PolarHBondContact O-N 3.22Å |
| 938 | I | 63.4 | Low | 55.9 | Low | 154 Ų | 154 | 138 Ų | 138 | 79% | 0.79 | 80% | 0.795 | S | S | * | * | | | trans | -71.5 | 118.2 | 169.2 | 54 | 170.2 | 0 | 0 | 0 | 110.6 | D936 G940 | D936-I938 PolarHBondContact O-N 3.06Å; I938-G940 PolarHBondContact O-N 3.34Å |
| 939 | F | 50.8 | Low | 54.8 | Low | 216 Ų | 216 | 137 Ų | 137 | 95% | 0.947 | 79% | 0.789 | S | S | * | * | | | trans | -72.3 | 113.5 | 175.4 | -129.3 | -96 | 0 | 0 | 0 | 109.2 | Y937 G941 | Y937-F939 PolarHBondContact O-N 3.22Å; F939-G941 PolarHBondContact O-N 3.4Å |
| 940 | G | 44.7 | Very low | 53.9 | Low | 83 Ų | 83 | 136.4 Ų | 136.4 | 86% | 0.856 | 79% | 0.79 | S | S | * | * | | | trans | -68.8 | 101.7 | -171.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | I938 | I938-G940 PolarHBondContact O-N 3.34Š|
| 941 | G | 49.3 | Very low | 53.2 | Low | 73 Ų | 73 | 137.9 Ų | 137.9 | 75% | 0.753 | 79% | 0.793 | S | S | * | * | | | trans | -126 | 94 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | F939 G943 | F939-G941 PolarHBondContact O-N 3.4Å; G941-G943 PolarHBondContact O-N 3.06Å |
| 942 | A | 43.7 | Very low | 52.1 | Low | 111 Ų | 111 | 136.8 Ų | 136.8 | 92% | 0.917 | 80% | 0.795 | S | S | * | * | | | trans | -93.2 | 89.9 | -175.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 943 | G | 52.3 | Low | 50.4 | Low | 78 Ų | 78 | 135 Ų | 135 | 80% | 0.804 | 80% | 0.802 | S | S | * | * | | | trans | -94.5 | 137.6 | 167.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | G941 | G941-G943 PolarHBondContact O-N 3.06Š|
| 944 | K | 49.5 | Very low | 48.8 | Very low | 202 Ų | 202 | 135.8 Ų | 135.8 | 88% | 0.878 | 80% | 0.798 | S | S | * | * | | | trans | -101.5 | 131.9 | 179.8 | -66.6 | -179.2 | -178 | 175.7 | 0 | 111.9 | | |
| 945 | S | 41.9 | Very low | 47.5 | Very low | 115 Ų | 115 | 138.8 Ų | 138.8 | 80% | 0.804 | 82% | 0.816 | S | S | * | * | | | trans | 45.8 | 107.5 | 149.3 | 59.5 | 0 | 0 | 0 | 0 | 119.9 | | |
| 946 | Q | 45.6 | Very low | 45.9 | Very low | 207 Ų | 207 | 140.8 Ų | 140.8 | 97% | 0.967 | 82% | 0.815 | S | S | * | * | | | | -143.3 | 165.6 | 117 | -123.3 | 178.3 | 1.4 | 0 | 0 | 110.7 | | |
| 947 | Q | 36.7 | Very low | 44.6 | Very low | 167 Ų | 167 | 141.7 Ų | 141.7 | 78% | 0.78 | 82% | 0.818 | S | S | * | * | | | trans | -128.7 | 104.3 | -150.3 | 172.8 | -168.4 | -46.2 | 0 | 0 | 112.5 | | |
| 948 | L | 42.9 | Very low | 44.1 | Very low | 163 Ų | 163 | 134.1 Ų | 134.1 | 85% | 0.853 | 80% | 0.804 | S | S | * | * | | | trans | -148.1 | 77.7 | 163.9 | -82.4 | -178.1 | 0 | 0 | 0 | 112.6 | | |
| 949 | T | 36.3 | Very low | 42.8 | Very low | 112 Ų | 112 | 134.4 Ų | 134.4 | 69% | 0.687 | 81% | 0.812 | S | S | * | * | | | | 36.9 | 89.1 | 117.7 | 61.3 | 0 | 0 | 0 | 0 | 120.7 | | |
| 950 | S | 41.9 | Very low | 42.2 | Very low | 111 Ų | 111 | 128.3 Ų | 128.3 | 78% | 0.776 | 80% | 0.802 | S | S | * | * | | | trans | -172.6 | 156.3 | 138.8 | 41.6 | 0 | 0 | 0 | 0 | 110.4 | | |
| 951 | P | 49.9 | Very low | 42 | Very low | 120 Ų | 120 | 129.5 Ų | 129.5 | 78% | 0.779 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -83 | 146 | -167.4 | 31.7 | -35.4 | 0 | 0 | 0 | 114.1 | | |
| 952 | P | 47 | Very low | 41.6 | Very low | 126 Ų | 126 | 131.5 Ų | 131.5 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -76 | 130.7 | -179 | 30.4 | -34.6 | 0 | 0 | 0 | 112.6 | | |
| 953 | S | 42 | Very low | 41.7 | Very low | 115 Ų | 115 | 133.6 Ų | 133.6 | 80% | 0.804 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -73.7 | 138.7 | 172.4 | 50 | 0 | 0 | 0 | 0 | 111.7 | L955 | S953-L955 PolarHBondContact O-N 2.83Š|
| 954 | K | 33.1 | Very low | 41.3 | Very low | 177 Ų | 177 | 136.7 Ų | 136.7 | 77% | 0.77 | 79% | 0.789 | S | S | * | * | | | trans | -95.2 | 84.3 | -162.3 | -172.4 | 178.2 | -178.6 | 177.1 | 0 | 112.4 | T956 | K954-T956 PolarHBondContact O-N 3.36Š|
| 955 | L | 37.7 | Very low | 41.1 | Very low | 158 Ų | 158 | 137.7 Ų | 137.7 | 83% | 0.827 | 79% | 0.787 | S | S | * | * | | | trans | -78.9 | 81.8 | 174.2 | -73.1 | -179.6 | 0 | 0 | 0 | 112.5 | S953 I957 | S953-L955 PolarHBondContact O-N 2.83Å; L955-I957 PolarHBondContact O-N 3.16Å |
| 956 | T | 34.9 | Very low | 41.1 | Very low | 112 Ų | 112 | 141.1 Ų | 141.1 | 69% | 0.687 | 79% | 0.792 | S | S | * | * | | | trans | -66.6 | 107.2 | 161.3 | -57 | 0 | 0 | 0 | 0 | 109.5 | K954 | K954-T956 PolarHBondContact O-N 3.36Š|
| 957 | I | 42.6 | Very low | 41 | Very low | 164 Ų | 164 | 134.6 Ų | 134.6 | 84% | 0.841 | 78% | 0.781 | S | S | * | * | | | trans | -99.3 | 82.5 | 166 | -57.7 | -177.7 | 0 | 0 | 0 | 108.3 | L955 | L955-I957 PolarHBondContact O-N 3.16Š|
| 958 | G | 40.9 | Very low | 41.4 | Very low | 53 Ų | 53 | 134 Ų | 134 | 55% | 0.546 | 78% | 0.782 | S | S | . | * | | | trans | -92 | 122.7 | 169.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | A960 | G958-A960 PolarHBondContact O-N 3.04Š|
| 959 | V | 34.8 | Very low | 41.9 | Very low | 159 Ų | 159 | 132 Ų | 132 | 96% | 0.964 | 78% | 0.778 | S | S | * | * | S | Bend | trans | 9.6 | 89.4 | 160 | -168.9 | 0 | 0 | 0 | 0 | 116.1 | | |
| 960 | A | 39.1 | Very low | 42.2 | Very low | 88 Ų | 88 | 135.3 Ų | 135.3 | 73% | 0.727 | 79% | 0.786 | S | S | * | * | | | trans | -151.4 | 126.2 | 165.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | G958 | G958-A960 PolarHBondContact O-N 3.04Š|
| 961 | S | 40.2 | Very low | 42.4 | Very low | 109 Ų | 109 | 132.8 Ų | 132.8 | 76% | 0.762 | 78% | 0.777 | S | S | * | * | | | trans | 33.9 | 99.6 | 154.3 | -50.8 | 0 | 0 | 0 | 0 | 120.1 | | |
| 962 | P | 41.5 | Very low | 42.4 | Very low | 115 Ų | 115 | 133.6 Ų | 133.6 | 75% | 0.747 | 77% | 0.769 | S | S | * | * | | | trans | -65.7 | 170.6 | 138.3 | 34.8 | -35.2 | 0 | 0 | 0 | 110.1 | | |
| 963 | I | 44 | Very low | 42.6 | Very low | 155 Ų | 155 | 135.5 Ų | 135.5 | 80% | 0.795 | 77% | 0.767 | S | S | * | * | | | trans | 70.1 | 96.4 | -178.6 | -45.2 | 167.2 | 0 | 0 | 0 | 113.3 | | |
| 964 | L | 44.3 | Very low | 42.5 | Very low | 143 Ų | 143 | 140 Ų | 140 | 75% | 0.749 | 77% | 0.768 | S | S | * | * | | | | -167.7 | 138.6 | 111.7 | -98.4 | 175.5 | 0 | 0 | 0 | 110.9 | | |
| 965 | R | 46.4 | Very low | 43.7 | Very low | 223 Ų | 223 | 139.6 Ų | 139.6 | 84% | 0.842 | 77% | 0.768 | S | S | * | * | | | trans | 42 | 105.4 | 130.7 | -151.6 | 176.5 | -162.4 | 135.3 | -1.8 | 115.3 | | |
| 966 | M | 40.6 | Very low | 44.1 | Very low | 186 Ų | 186 | 137.1 Ų | 137.1 | 92% | 0.916 | 76% | 0.759 | S | S | * | * | | | | -146.6 | 162.4 | 53.8 | -57.1 | -172.4 | -70.4 | 0 | 0 | 113 | | |
| 967 | G | 43.5 | Very low | 45 | Very low | 71 Ų | 71 | 137.2 Ų | 137.2 | 73% | 0.732 | 76% | 0.762 | S | S | * | * | | | trans | 113.6 | 39.1 | 157.9 | 0 | 0 | 0 | 0 | 0 | 118.5 | P969 | G967-P969 WeakPolarHBondContact O-CD 3.33Š|
| 968 | I | 46.1 | Very low | 45.3 | Very low | 155 Ų | 155 | 136.8 Ų | 136.8 | 80% | 0.795 | 76% | 0.76 | S | S | * | * | | | trans | -94 | 103.1 | 163.5 | -58.4 | 175.6 | 0 | 0 | 0 | 109.4 | Q970 | I968-Q970 HydrophobicContact CG2-CG 4.37Å; I968-Q970 PolarHBondContact O-N 2.93Å |
| 969 | P | 53.8 | Low | 45.8 | Very low | 120 Ų | 120 | 139.8 Ų | 139.8 | 78% | 0.779 | 77% | 0.767 | S | S | * | * | | | trans | -74.8 | 113.3 | 157.4 | 30.6 | -30.8 | 0 | 0 | 0 | 108.6 | G967 | G967-P969 WeakPolarHBondContact O-CD 3.33Š|
| 970 | Q | 42.2 | Very low | 46.1 | Very low | 181 Ų | 181 | 138 Ų | 138 | 85% | 0.846 | 76% | 0.757 | S | S | * | * | | | trans | -68.4 | 160.9 | 176.7 | -66.9 | -178.5 | -17.4 | 0 | 0 | 112.1 | I968 | I968-Q970 HydrophobicContact CG2-CG 4.37Å; I968-Q970 PolarHBondContact O-N 2.93Å |
| 971 | G | 44.7 | Very low | 47 | Very low | 58 Ų | 58 | 142.4 Ų | 142.4 | 60% | 0.598 | 76% | 0.759 | S | S | * | * | | | trans | 93.5 | 85.1 | 162.6 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 972 | K | 50 | Low | 47.5 | Very low | 137 Ų | 137 | 142.4 Ų | 142.4 | 60% | 0.596 | 76% | 0.757 | S | S | * | * | | | trans | -167.9 | 76.8 | 142.1 | -94.6 | 137.6 | -165 | 168 | 0 | 109.5 | Y974 | K972-Y974 HydrophobicContact CB-CE2 4.14Å; K972-Y974 PolarHBondContact O-N 2.91Å; K972-Y974 VanDerWaalsContact O-N 3.17Å |
| 973 | E | 52.5 | Low | 47.8 | Very low | 167 Ų | 167 | 144.5 Ų | 144.5 | 78% | 0.78 | 76% | 0.761 | S | S | * | * | | | trans | -58.8 | 107.7 | 160.7 | 55.5 | -136.4 | 97.7 | 0 | 0 | 110.8 | H975 | E973-H975 PolarHBondContact O-N 3.03Š|
| 974 | Y | 40.3 | Very low | 48.1 | Very low | 210 Ų | 210 | 145 Ų | 145 | 82% | 0.824 | 76% | 0.757 | S | S | * | * | | | trans | -85.3 | 89.9 | 169.2 | -79.4 | -79.5 | 0 | 0 | 0 | 109.1 | K972 V976 | K972-Y974 HydrophobicContact CB-CE2 4.14Å; K972-Y974 PolarHBondContact O-N 2.91Å; K972-Y974 VanDerWaalsContact O-N 3.17Å; Y974-V976 PolarHBondContact O-N 2.86Å |
| 975 | H | 58 | Low | 47.7 | Very low | 168 Ų | 168 | 145.3 Ų | 145.3 | 78% | 0.778 | 76% | 0.76 | S | S | * | * | | | trans | -59.5 | 128.2 | 174.3 | -123.7 | -85.5 | 0 | 0 | 0 | 110.6 | E973 | E973-H975 PolarHBondContact O-N 3.03Š|
| 976 | V | 45 | Very low | 47.4 | Very low | 106 Ų | 106 | 143.6 Ų | 143.6 | 64% | 0.642 | 76% | 0.761 | S | S | * | * | | | trans | -69.7 | 126.5 | 168 | -179 | 0 | 0 | 0 | 0 | 107.8 | Y974 I978 | Y974-V976 PolarHBondContact O-N 2.86Å; V976-I978 HydrophobicContact CG1-CG1 4.08Å; V976-I978 PolarHBondContact O-N 2.96Å |
| 977 | P | 54 | Low | 47.5 | Very low | 114 Ų | 114 | 141.5 Ų | 141.5 | 74% | 0.74 | 75% | 0.752 | S | S | * | * | | | trans | -73.5 | 89.1 | 179.8 | 28.8 | -34 | 0 | 0 | 0 | 111 | | |
| 978 | I | 49.1 | Very low | 47.4 | Very low | 155 Ų | 155 | 145.2 Ų | 145.2 | 80% | 0.795 | 76% | 0.755 | S | S | * | * | | | trans | -99.5 | 77.1 | 169.1 | -52.9 | 179.2 | 0 | 0 | 0 | 108.1 | V976 | V976-I978 HydrophobicContact CG1-CG1 4.08Å; V976-I978 PolarHBondContact O-N 2.96Å |
| 979 | T | 52.3 | Low | 47 | Very low | 115 Ų | 115 | 145.3 Ų | 145.3 | 71% | 0.706 | 75% | 0.752 | S | S | * | * | | | trans | -147.9 | 132.5 | -175.7 | 26.2 | 0 | 0 | 0 | 0 | 109.7 | | |
| 980 | V | 41.4 | Very low | 46 | Very low | 123 Ų | 123 | 145.2 Ų | 145.2 | 75% | 0.745 | 75% | 0.745 | S | S | * | * | | | cis | -138.5 | 160 | -2.2 | -156 | 0 | 0 | 0 | 0 | 109.3 | | |
| 981 | K | 56.5 | Low | 45.7 | Very low | 179 Ų | 179 | 143.7 Ų | 143.7 | 78% | 0.778 | 74% | 0.737 | S | S | * | * | | | trans | -60.5 | 151.2 | 159.3 | -63.5 | 172.3 | -178.3 | 171.7 | 0 | 109.6 | L983 | K981-L983 PolarHBondContact O-N 3.1Š|
| 982 | P | 50.6 | Low | 45.3 | Very low | 110 Ų | 110 | 147.8 Ų | 147.8 | 71% | 0.714 | 74% | 0.741 | S | S | * | * | | | trans | -63.4 | 107.9 | 165.6 | 26.9 | -33 | 0 | 0 | 0 | 109.8 | K984 | P982-K984 PolarHBondContact O-NZ 2.9Š|
| 983 | L | 48 | Very low | 44.7 | Very low | 158 Ų | 158 | 148.8 Ų | 148.8 | 83% | 0.827 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 159.5 | 167.1 | -124.9 | 68.9 | 0 | 0 | 0 | 109.7 | K981 | K981-L983 PolarHBondContact O-N 3.1Š|
| 984 | K | 50.2 | Low | 43.9 | Very low | 166 Ų | 166 | 146.7 Ų | 146.7 | 72% | 0.722 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -91 | 158.2 | -172.6 | -84.2 | 55.4 | -178.6 | 168.7 | 0 | 109.6 | P982 E986 | P982-K984 PolarHBondContact O-NZ 2.9Å; K984-E986 PolarHBondContact O-N 2.93Å |
| 985 | D | 36.6 | Very low | 43.7 | Very low | 149 Ų | 149 | 144.5 Ų | 144.5 | 80% | 0.797 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 127 | 167.4 | -44.1 | -88.3 | 0 | 0 | 0 | 109.3 | | |
| 986 | E | 40.4 | Very low | 42.7 | Very low | 187 Ų | 187 | 144.1 Ų | 144.1 | 87% | 0.874 | 73% | 0.729 | S | S | * | * | | | trans | -111.4 | 98 | 173.8 | -170.4 | 162.6 | -145 | 0 | 0 | 107.6 | K984 | K984-E986 PolarHBondContact O-N 2.93Š|
| 987 | I | 43.5 | Very low | 42.3 | Very low | 142 Ų | 142 | 146.2 Ų | 146.2 | 73% | 0.728 | 73% | 0.732 | S | S | * | * | | | trans | -108.8 | 110 | -178.7 | -64.5 | 177.7 | 0 | 0 | 0 | 107.9 | | |
| 988 | L | 40.6 | Very low | 41.7 | Very low | 150 Ų | 150 | 149.4 Ų | 149.4 | 79% | 0.785 | 73% | 0.734 | S | S | * | * | | | trans | 63.4 | 161.9 | 178 | -83.5 | 63.5 | 0 | 0 | 0 | 112.1 | | |
| 989 | E | 36.6 | Very low | 41.1 | Very low | 157 Ų | 157 | 146.4 Ų | 146.4 | 73% | 0.734 | 73% | 0.725 | S | S | * | * | | | cis | -163 | 144.2 | 42.8 | -175.1 | 176.1 | 155.4 | 0 | 0 | 112.7 | | |
| 990 | N | 34.1 | Very low | 40.1 | Very low | 118 Ų | 118 | 148.2 Ų | 148.2 | 63% | 0.631 | 73% | 0.725 | S | S | * | * | | | trans | 41.9 | 126.8 | 153.7 | -67.2 | -31.5 | 0 | 0 | 0 | 120 | | |
| 991 | Q | 36.4 | Very low | 39.8 | Very low | 148 Ų | 148 | 147.9 Ų | 147.9 | 69% | 0.692 | 72% | 0.723 | S | S | * | * | | | cis | -178.7 | 154.8 | 46.3 | -122.9 | 167.3 | 112 | 0 | 0 | 111.6 | | |
| 992 | Q | 36.1 | Very low | 38.5 | Very low | 145 Ų | 145 | 146.9 Ų | 146.9 | 68% | 0.678 | 72% | 0.721 | S | S | * | * | | | trans | 56.7 | 134.1 | 154 | -57.1 | 177.8 | 45.1 | 0 | 0 | 118.3 | | |
| 993 | Q | 36.5 | Very low | 37.6 | Very low | 157 Ų | 157 | 148.3 Ų | 148.3 | 73% | 0.734 | 72% | 0.718 | S | S | * | * | | | cis | -169.5 | 162.6 | 4.7 | -110.4 | 179.4 | 92.4 | 0 | 0 | 106 | | |
| 994 | E | 36 | Very low | 37.1 | Very low | 124 Ų | 124 | 147 Ų | 147 | 58% | 0.579 | 71% | 0.711 | S | S | * | * | | | cis | -162.7 | 160.5 | 0.6 | -158.9 | -146.2 | 149.9 | 0 | 0 | 108.9 | | |
| 995 | K | 35.5 | Very low | 36.3 | Very low | 163 Ų | 163 | 146.8 Ų | 146.8 | 71% | 0.709 | 71% | 0.71 | S | S | * | * | | | trans | 62.8 | 144.5 | 170 | -66.3 | 162.2 | 175 | 117.3 | 0 | 117.1 | | |
| 996 | K | 37.2 | Very low | 36.3 | Very low | 160 Ų | 160 | 144.1 Ų | 144.1 | 70% | 0.696 | 70% | 0.696 | S | S | * | * | | | cis | -154.2 | 138.1 | -2.9 | -128.1 | -169.3 | 172.4 | -138.3 | 0 | 109.6 | | |
| 997 | E | 37.8 | Very low | 36 | Very low | 151 Ų | 151 | 142.5 Ų | 142.5 | 71% | 0.706 | 69% | 0.689 | S | S | * | * | | | | 50.9 | 131.8 | 123.2 | -165.5 | 179.1 | -128.4 | 0 | 0 | 120.7 | | |
| 998 | K | 40.2 | Very low | 35.6 | Very low | 180 Ų | 180 | 142.8 Ų | 142.8 | 78% | 0.783 | 69% | 0.687 | S | S | * | * | | | cis | -160.3 | -157 | -14.8 | -140.5 | -159.5 | 156.1 | -150.2 | 0 | 109.2 | | |
| 999 | P | 36.1 | Very low | 35.4 | Very low | 93 Ų | 93 | 142.1 Ų | 142.1 | 60% | 0.604 | 68% | 0.683 | S | S | * | * | | | trans | -107.3 | -152.6 | -148.8 | 29.9 | -2.1 | 0 | 0 | 0 | 112 | | |
| 1000 | E | 32.9 | Very low | 35.4 | Very low | 152 Ų | 152 | 141 Ų | 141 | 71% | 0.71 | 68% | 0.678 | S | S | * | * | | | cis | -171 | 149.8 | 38.1 | -166.9 | 152.4 | 154.8 | 0 | 0 | 113.9 | | |
| 1001 | V | 33.4 | Very low | 35.7 | Very low | 116 Ų | 116 | 142.2 Ų | 142.2 | 70% | 0.703 | 68% | 0.677 | S | S | * | * | | | trans | -3 | 150.9 | 145.9 | 171.3 | 0 | 0 | 0 | 0 | 116.6 | | |
| 1002 | Q | 30 | Very low | 36 | Very low | 158 Ų | 158 | 143.2 Ų | 143.2 | 74% | 0.738 | 68% | 0.682 | S | S | * | * | | | cis | 164.2 | 177.6 | -7.2 | -173.8 | 177 | -73.2 | 0 | 0 | 104.9 | | |
| 1003 | E | 32.1 | Very low | 36.2 | Very low | 140 Ų | 140 | 141 Ų | 141 | 65% | 0.654 | 68% | 0.682 | S | S | * | * | | | trans | 83.9 | 141.9 | 147.9 | -122.7 | -166.5 | 123.7 | 0 | 0 | 121 | | |
| 1004 | L | 36.7 | Very low | 36.2 | Very low | 130 Ų | 130 | 139.8 Ų | 139.8 | 68% | 0.681 | 69% | 0.685 | S | S | * | * | | | trans | 65 | 155.1 | 162.9 | -56.2 | -178.1 | 0 | 0 | 0 | 115.7 | | |
| 1005 | K | 33.4 | Very low | 36.3 | Very low | 162 Ų | 162 | 139.4 Ų | 139.4 | 70% | 0.704 | 70% | 0.696 | S | S | * | * | | | cis | -157.9 | -177.2 | 0.7 | -124.2 | 164.8 | 161.4 | -159.9 | 0 | 106.6 | | |
| 1006 | D | 37.2 | Very low | 36.2 | Very low | 93 Ų | 93 | 137.3 Ų | 137.3 | 50% | 0.497 | 70% | 0.697 | S | S | . | * | | | cis | -165.4 | 163.5 | 9 | -131 | -40.8 | 0 | 0 | 0 | 108.1 | | |
| 1007 | Q | 34.5 | Very low | 36.1 | Very low | 153 Ų | 153 | 138.8 Ų | 138.8 | 72% | 0.715 | 70% | 0.703 | S | S | * | * | | | trans | 51.8 | 176.5 | 148.2 | -75.9 | 153.2 | 56.8 | 0 | 0 | 120 | | |
| 1008 | E | 35.3 | Very low | 36.1 | Very low | 149 Ų | 149 | 137 Ų | 137 | 70% | 0.696 | 70% | 0.703 | S | S | * | * | | | | -144.6 | -166.7 | -58.1 | -127.9 | -162.6 | 78 | 0 | 0 | 107.2 | | |
| 1009 | I | 36.5 | Very low | 36.2 | Very low | 135 Ų | 135 | 137.2 Ų | 137.2 | 69% | 0.692 | 70% | 0.704 | S | S | * | * | | | cis | -134.6 | 157.4 | 12.7 | -55.4 | 166.9 | 0 | 0 | 0 | 109.1 | | |
| 1010 | E | 35.7 | Very low | 36.5 | Very low | 135 Ų | 135 | 138.1 Ų | 138.1 | 63% | 0.631 | 71% | 0.71 | S | S | * | * | | | trans | -56.5 | 168.5 | 164.9 | 17.4 | 159 | 80.5 | 0 | 0 | 116.8 | | |
| 1011 | K | 41.3 | Very low | 36.9 | Very low | 143 Ų | 143 | 139 Ų | 139 | 62% | 0.622 | 71% | 0.711 | S | S | * | * | | | | 172.4 | 138.6 | 98.4 | -84.1 | 176.3 | -162.4 | -68.4 | 0 | 113.8 | | |
| 1012 | E | 41.5 | Very low | 37.4 | Very low | 168 Ų | 168 | 139 Ų | 139 | 79% | 0.785 | 71% | 0.711 | S | S | * | * | | | trans | 47.6 | 149.7 | 141 | -64.1 | 170.1 | 106.1 | 0 | 0 | 121.8 | | |
| 1013 | S | 39.7 | Very low | 38.3 | Very low | 98 Ų | 98 | 136.4 Ų | 136.4 | 69% | 0.685 | 71% | 0.708 | S | S | * | * | | | cis | -157.6 | 139.1 | -11.5 | 45.7 | 0 | 0 | 0 | 0 | 106.6 | | |
| 1014 | V | 37 | Very low | 38.8 | Very low | 132 Ų | 132 | 135.5 Ų | 135.5 | 80% | 0.8 | 71% | 0.712 | S | S | * | * | | | cis | 72.1 | 96.5 | 49.3 | -177.3 | 0 | 0 | 0 | 0 | 113.9 | | |
| 1015 | S | 37.8 | Very low | 39.2 | Very low | 116 Ų | 116 | 138.2 Ų | 138.2 | 81% | 0.811 | 72% | 0.718 | S | S | * | * | | | trans | 178.9 | 146.4 | 146.4 | -87.6 | 0 | 0 | 0 | 0 | 112.9 | | |
| 1016 | V | 33.6 | Very low | 39.7 | Very low | 119 Ų | 119 | 136 Ų | 136 | 72% | 0.721 | 72% | 0.72 | S | S | * | * | | | cis | -167.5 | 165.1 | -21.4 | 81.2 | 0 | 0 | 0 | 0 | 110.5 | | |
| 1017 | K | 35.7 | Very low | 39.9 | Very low | 191 Ų | 191 | 137 Ų | 137 | 83% | 0.83 | 73% | 0.73 | S | S | * | * | | | trans | 68.8 | 142.4 | 165.5 | -84.6 | 178.4 | 176.6 | 176 | 0 | 117 | | |
| 1018 | V | 38.3 | Very low | 40.3 | Very low | 115 Ų | 115 | 137.4 Ų | 137.4 | 70% | 0.697 | 73% | 0.732 | S | S | * | * | | | cis | -145.1 | 119.8 | -4.6 | 146.9 | 0 | 0 | 0 | 0 | 105.2 | | |
| 1019 | K | 41.9 | Very low | 40.5 | Very low | 183 Ų | 183 | 138.1 Ų | 138.1 | 80% | 0.796 | 73% | 0.732 | S | S | * | * | | | | 73 | 140.2 | 76.1 | -179.5 | -158.7 | -174.5 | -171.3 | 0 | 113.9 | | |
| 1020 | P | 42.3 | Very low | 40.6 | Very low | 113 Ų | 113 | 141.1 Ų | 141.1 | 73% | 0.734 | 74% | 0.735 | S | S | * | * | | | cis | -111.4 | -128.7 | -24.7 | 28.9 | -4.8 | 0 | 0 | 0 | 109.5 | | |
| 1021 | K | 40.2 | Very low | 40.8 | Very low | 171 Ų | 171 | 140.1 Ų | 140.1 | 74% | 0.743 | 73% | 0.733 | S | S | * | * | | | cis | -166.7 | 155.7 | -15.1 | -131.9 | -159.1 | 166.4 | -176.2 | 0 | 105.7 | | |
| 1022 | T | 45.6 | Very low | 40.7 | Very low | 115 Ų | 115 | 141.5 Ų | 141.5 | 71% | 0.706 | 74% | 0.741 | S | S | * | * | | | cis | 77.9 | 149.8 | -1.4 | 70.1 | 0 | 0 | 0 | 0 | 119.9 | | |
| 1023 | P | 47.4 | Very low | 40.3 | Very low | 103 Ų | 103 | 142.2 Ų | 142.2 | 67% | 0.669 | 74% | 0.742 | S | S | * | * | | | cis | -84.8 | -137.4 | -8.8 | 5.3 | 17.9 | 0 | 0 | 0 | 111.5 | | |
| 1024 | V | 44 | Very low | 40.1 | Very low | 122 Ų | 122 | 143.3 Ų | 143.3 | 74% | 0.739 | 75% | 0.747 | S | S | * | * | | | cis | -150.9 | 149.8 | 8.7 | -163.8 | 0 | 0 | 0 | 0 | 106.1 | | |
| 1025 | K | 44.4 | Very low | 40.1 | Very low | 187 Ų | 187 | 144 Ų | 144 | 81% | 0.813 | 75% | 0.745 | S | S | * | * | | | cis | 93 | 157.5 | 22.6 | -54 | -162.6 | 179.4 | -172.2 | 0 | 113.8 | | |
| 1026 | P | 43.6 | Very low | 40.1 | Very low | 115 Ų | 115 | 144.9 Ų | 144.9 | 75% | 0.747 | 74% | 0.741 | S | S | * | * | | | | -145.8 | -140.4 | -104.9 | 41.5 | -16.2 | 0 | 0 | 0 | 115.4 | | |
| 1027 | V | 41.7 | Very low | 40.2 | Very low | 115 Ų | 115 | 146.4 Ų | 146.4 | 70% | 0.697 | 74% | 0.74 | S | S | * | * | | | trans | 92.7 | 119.8 | 168.6 | -173.4 | 0 | 0 | 0 | 0 | 114.9 | | |
| 1028 | Q | 42 | Very low | 40.3 | Very low | 160 Ų | 160 | 142.9 Ų | 142.9 | 75% | 0.748 | 73% | 0.73 | S | S | * | * | | | cis | 103.7 | 143.2 | 11.3 | -161.2 | -171.7 | 34.1 | 0 | 0 | 114.7 | | |
| 1029 | K | 41 | Very low | 40.3 | Very low | 164 Ų | 164 | 144.9 Ų | 144.9 | 71% | 0.713 | 73% | 0.732 | S | S | * | * | | | trans | 85.9 | 148.5 | 171.8 | -55.1 | 177.4 | -179 | 172.7 | 0 | 116.1 | | |
| 1030 | R | 38 | Very low | 39.9 | Very low | 199 Ų | 199 | 143 Ų | 143 | 75% | 0.751 | 73% | 0.731 | S | S | * | * | | | cis | -176.1 | 150.7 | -13.5 | -111.3 | 177.7 | 165.4 | -158.6 | -1.7 | 111.2 | | |
| 1031 | I | 41 | Very low | 39.7 | Very low | 114 Ų | 114 | 142 Ų | 142 | 59% | 0.585 | 73% | 0.726 | S | S | * | * | | | trans | 70.3 | 156.6 | 135.9 | -72.6 | 178.3 | 0 | 0 | 0 | 118.5 | | |
| 1032 | E | 38.7 | Very low | 39.5 | Very low | 171 Ų | 171 | 141 Ų | 141 | 80% | 0.799 | 73% | 0.728 | S | S | * | * | | | cis | -135.5 | -169.8 | 5.5 | -152.3 | 102.9 | -112.6 | 0 | 0 | 112.9 | | |
| 1033 | K | 32.6 | Very low | 39.1 | Very low | 183 Ų | 183 | 141.6 Ų | 141.6 | 80% | 0.796 | 72% | 0.723 | S | S | * | * | | | trans | -112.1 | 161 | 171.4 | -68.8 | -178.7 | 178.6 | -179.6 | 0 | 112.1 | | |
| 1034 | P | 36.1 | Very low | 38.5 | Very low | 122 Ų | 122 | 143.5 Ų | 143.5 | 79% | 0.792 | 73% | 0.728 | S | S | * | * | | | | -120 | -153.9 | 119.4 | -5.3 | 26.6 | 0 | 0 | 0 | 112.7 | | |
| 1035 | L | 35.6 | Very low | 38.5 | Very low | 146 Ų | 146 | 145.2 Ų | 145.2 | 76% | 0.764 | 73% | 0.727 | S | S | * | * | | | | -160.8 | -172.8 | -81.1 | -162.9 | 55.8 | 0 | 0 | 0 | 108.7 | | |
| 1036 | D | 37.6 | Very low | 38.2 | Very low | 134 Ų | 134 | 142.4 Ų | 142.4 | 72% | 0.717 | 73% | 0.731 | S | S | * | * | | | trans | 68.4 | 147.8 | 158.6 | -56 | -41.4 | 0 | 0 | 0 | 119.7 | | |
| 1037 | Q | 36.5 | Very low | 38 | Very low | 152 Ų | 152 | 141.7 Ų | 141.7 | 71% | 0.71 | 73% | 0.729 | S | S | * | * | | | cis | -167.3 | 143 | -16.4 | 165.3 | 177.2 | 7.8 | 0 | 0 | 110.7 | | |
| 1038 | D | 38.4 | Very low | 38 | Very low | 116 Ų | 116 | 141.4 Ų | 141.4 | 62% | 0.62 | 73% | 0.728 | S | S | * | * | | | trans | 56.4 | 164.7 | 157.6 | -71.3 | -16.6 | 0 | 0 | 0 | 121.9 | | |
| 1039 | Q | 38.5 | Very low | 37.7 | Very low | 157 Ų | 157 | 141.1 Ų | 141.1 | 73% | 0.734 | 73% | 0.731 | S | S | * | * | | | cis | -150.9 | 155.4 | -9.1 | -125.9 | 170.9 | 71.7 | 0 | 0 | 114 | | |
| 1040 | N | 33.8 | Very low | 37.8 | Very low | 144 Ų | 144 | 138.8 Ų | 138.8 | 77% | 0.77 | 73% | 0.732 | S | S | * | * | | | trans | 0.6 | 136.4 | 151.3 | -108.2 | -26.8 | 0 | 0 | 0 | 122.6 | | |
| 1041 | S | 36.6 | Very low | 38.1 | Very low | 91 Ų | 91 | 139.4 Ų | 139.4 | 64% | 0.636 | 73% | 0.734 | S | S | * | * | | | | 157 | 143.1 | 93.2 | 56.7 | 0 | 0 | 0 | 0 | 116.3 | | |
| 1042 | L | 36.8 | Very low | 38.2 | Very low | 151 Ų | 151 | 140.9 Ų | 140.9 | 79% | 0.791 | 75% | 0.751 | S | S | * | * | | | trans | 59 | 155.7 | 150 | -59.6 | 158.7 | 0 | 0 | 0 | 119.8 | | |
| 1043 | Q | 35.9 | Very low | 38.2 | Very low | 128 Ų | 128 | 135.5 Ų | 135.5 | 60% | 0.598 | 74% | 0.736 | S | S | * | * | | | cis | -162.7 | 110 | -27.3 | 171.1 | 176 | -32.6 | 0 | 0 | 110.8 | | |
| 1044 | N | 35.5 | Very low | 38.7 | Very low | 143 Ų | 143 | 136 Ų | 136 | 77% | 0.765 | 74% | 0.738 | S | S | * | * | | | trans | 54.4 | -179.3 | 150.7 | -71.9 | -37.2 | 0 | 0 | 0 | 121.8 | | |
| 1045 | H | 44.5 | Very low | 38.9 | Very low | 158 Ų | 158 | 134.4 Ų | 134.4 | 73% | 0.731 | 73% | 0.73 | S | S | * | * | | | trans | 81 | 106.9 | 161.7 | -40.7 | -69.2 | 0 | 0 | 0 | 117.8 | | |
| 1046 | S | 37.1 | Very low | 39.1 | Very low | 127 Ų | 127 | 134.4 Ų | 134.4 | 89% | 0.888 | 73% | 0.73 | S | S | * | * | | | trans | -91.7 | 129.4 | 176.3 | 178.3 | 0 | 0 | 0 | 0 | 112.3 | | |
| 1047 | S | 40.5 | Very low | 39.1 | Very low | 101 Ų | 101 | 136.9 Ų | 136.9 | 71% | 0.706 | 73% | 0.73 | S | S | * | * | | | trans | -160.2 | 112.9 | 162.8 | -166.2 | 0 | 0 | 0 | 0 | 114.8 | | |
| 1048 | T | 41.4 | Very low | 39.4 | Very low | 109 Ų | 109 | 137 Ų | 137 | 67% | 0.669 | 73% | 0.728 | S | S | * | * | | | | 56.7 | 104.2 | 128.8 | -40.7 | 0 | 0 | 0 | 0 | 121 | | |
| 1049 | L | 36.5 | Very low | 39.6 | Very low | 154 Ų | 154 | 137.5 Ų | 137.5 | 81% | 0.806 | 74% | 0.736 | S | S | * | * | | | trans | 71.2 | 165.8 | 157.3 | -61 | 170.8 | 0 | 0 | 0 | 116.4 | | |
| 1050 | P | 41.9 | Very low | 39.9 | Very low | 114 Ų | 114 | 137.4 Ų | 137.4 | 74% | 0.74 | 74% | 0.739 | S | S | * | * | | | cis | -126.9 | -179.2 | 2.2 | 41.5 | -25.7 | 0 | 0 | 0 | 116.5 | | |
| 1051 | R | 44 | Very low | 41 | Very low | 213 Ų | 213 | 136.6 Ų | 136.6 | 80% | 0.804 | 74% | 0.742 | S | S | * | * | | | trans | -27.9 | 141.3 | 171 | -48.5 | 165.5 | 179.9 | 168.7 | -2.5 | 117.2 | A1053 | R1051-A1053 HydrophobicContact CB-CB 3.74Å; R1051-A1053 HydrophobicContact CG-CB 4.41Å; R1051-A1053 PolarHBondContact O-N 3.25Å |
| 1052 | P | 44.7 | Very low | 41.1 | Very low | 145 Ų | 145 | 136.5 Ų | 136.5 | 94% | 0.942 | 75% | 0.747 | S | S | * | * | | | trans | -74.1 | 95.1 | 142.4 | 31.8 | -29.8 | 0 | 0 | 0 | 108.8 | | |
| 1053 | A | 37.4 | Very low | 41.3 | Very low | 58 Ų | 58 | 133.4 Ų | 133.4 | 48% | 0.479 | 74% | 0.743 | S | S | . | * | | | trans | -146.2 | 139.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111 | R1051 | R1051-A1053 HydrophobicContact CB-CB 3.74Å; R1051-A1053 HydrophobicContact CG-CB 4.41Å; R1051-A1053 PolarHBondContact O-N 3.25Å |
| 1054 | K | 44.1 | Very low | 41.7 | Very low | 194 Ų | 194 | 135.7 Ų | 135.7 | 84% | 0.843 | 75% | 0.754 | S | S | * | * | | | trans | 74.1 | 110.9 | -159.9 | -60.1 | 179 | 177.5 | -179.7 | 0 | 110.5 | | |
| 1055 | S | 40.3 | Very low | 42 | Very low | 87 Ų | 87 | 134.5 Ų | 134.5 | 61% | 0.608 | 75% | 0.747 | S | S | * | * | | | | 74 | 150 | 57.2 | 78.9 | 0 | 0 | 0 | 0 | 112.7 | | |
| 1056 | N | 38.4 | Very low | 41.8 | Very low | 146 Ų | 146 | 132 Ų | 132 | 78% | 0.781 | 74% | 0.739 | S | S | * | * | | | trans | 78.9 | 147.6 | 179 | -52.8 | -30.3 | 0 | 0 | 0 | 112.3 | | |
| 1057 | R | 38.5 | Very low | 42 | Very low | 186 Ų | 186 | 132.8 Ų | 132.8 | 70% | 0.702 | 73% | 0.729 | S | S | * | * | | | cis | 176.3 | 159.4 | -6.8 | 167 | -169.6 | -173.9 | -153.7 | 5.3 | 106.4 | | |
| 1058 | F | 42.6 | Very low | 41.9 | Very low | 155 Ų | 155 | 135.3 Ų | 135.3 | 68% | 0.68 | 73% | 0.731 | S | S | * | * | | | trans | 69.2 | 156 | 179 | -47.3 | -65 | 0 | 0 | 0 | 114.5 | | |
| 1059 | T | 43.7 | Very low | 41.7 | Very low | 126 Ų | 126 | 134.9 Ų | 134.9 | 77% | 0.773 | 73% | 0.728 | S | S | * | * | | | cis | -156.5 | 171.7 | -37.8 | 16.3 | 0 | 0 | 0 | 0 | 107.5 | | |
| 1060 | L | 44.9 | Very low | 41.7 | Very low | 155 Ų | 155 | 133.4 Ų | 133.4 | 81% | 0.812 | 73% | 0.731 | S | S | * | * | | | trans | -47.7 | 151.5 | 172.5 | -58.4 | 168.2 | 0 | 0 | 0 | 113.9 | | |
| 1061 | P | 55.4 | Low | 41.4 | Very low | 128 Ų | 128 | 136 Ų | 136 | 83% | 0.831 | 73% | 0.733 | S | S | * | * | | | | -104.6 | 174.6 | 106.8 | 30.7 | -35.7 | 0 | 0 | 0 | 112.7 | | |
| 1062 | A | 38.9 | Very low | 41.3 | Very low | 88 Ų | 88 | 133.2 Ų | 133.2 | 73% | 0.727 | 73% | 0.733 | S | S | * | * | | | trans | -120.9 | 165.2 | -164.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 1063 | A | 40.8 | Very low | 40.9 | Very low | 87 Ų | 87 | 131.6 Ų | 131.6 | 72% | 0.719 | 72% | 0.721 | S | S | * | * | | | trans | 66 | 150.6 | 172 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 1064 | Q | 45.1 | Very low | 41.1 | Very low | 175 Ų | 175 | 135.6 Ų | 135.6 | 82% | 0.818 | 73% | 0.731 | S | S | * | * | | | cis | -146 | 158 | -8.7 | -123 | 157.8 | -83.9 | 0 | 0 | 110.2 | | |
| 1065 | N | 41.7 | Very low | 40.8 | Very low | 118 Ų | 118 | 132.5 Ų | 132.5 | 63% | 0.631 | 72% | 0.724 | S | S | * | * | | | trans | -2.5 | 152.1 | 134.9 | -90.8 | 36.9 | 0 | 0 | 0 | 118.7 | | |
| 1066 | N | 41 | Very low | 40.6 | Very low | 105 Ų | 105 | 132.8 Ų | 132.8 | 56% | 0.561 | 73% | 0.726 | S | S | * | * | | | cis | -171.8 | 146.8 | -9 | -155.7 | 24 | 0 | 0 | 0 | 110 | | |
| 1067 | Q | 41.2 | Very low | 40.9 | Very low | 145 Ų | 145 | 132.9 Ų | 132.9 | 68% | 0.678 | 73% | 0.726 | S | S | * | * | | | trans | 57.3 | 166.3 | 154.1 | -73 | 170 | -16.2 | 0 | 0 | 117.8 | | |
| 1068 | M | 38.4 | Very low | 41.2 | Very low | 153 Ų | 153 | 129.9 Ų | 129.9 | 75% | 0.754 | 73% | 0.73 | S | S | * | * | | | cis | -144.9 | 144.9 | -13.5 | -131.1 | 163.2 | -175.9 | 0 | 0 | 111.7 | | |
| 1069 | V | 36.8 | Very low | 41.2 | Very low | 100 Ų | 100 | 131 Ų | 131 | 61% | 0.606 | 73% | 0.73 | S | S | * | * | | | trans | 17.6 | 121.7 | 140.4 | -179 | 0 | 0 | 0 | 0 | 119.2 | | |
| 1070 | S | 35.2 | Very low | 41.3 | Very low | 123 Ų | 123 | 131.3 Ų | 131.3 | 86% | 0.86 | 73% | 0.734 | S | S | * | * | | | trans | -157.3 | 131.5 | 130.7 | -83.6 | 0 | 0 | 0 | 0 | 109.8 | | |
| 1071 | H | 35.7 | Very low | 41.1 | Very low | 170 Ų | 170 | 130.5 Ų | 130.5 | 79% | 0.787 | 74% | 0.735 | S | S | * | * | | | trans | -105.7 | 124.4 | -170.8 | -62.4 | -88 | 0 | 0 | 0 | 111.4 | | |
| 1072 | L | 41.8 | Very low | 40.1 | Very low | 154 Ų | 154 | 129.9 Ų | 129.9 | 81% | 0.806 | 73% | 0.734 | S | S | * | * | | | trans | -130.6 | 116.4 | 172.8 | -87.2 | 170.6 | 0 | 0 | 0 | 111.7 | | |
| 1073 | T | 37.1 | Very low | 40.1 | Very low | 110 Ų | 110 | 131.3 Ų | 131.3 | 68% | 0.675 | 74% | 0.739 | S | S | * | * | | | trans | 65.3 | 173.9 | 150.3 | 59.6 | 0 | 0 | 0 | 0 | 119.5 | | |
| 1074 | M | 41.7 | Very low | 40 | Very low | 143 Ų | 143 | 134.4 Ų | 134.4 | 70% | 0.704 | 74% | 0.742 | S | S | * | * | | | trans | 89.8 | 106.1 | 159.8 | -53.1 | -50.7 | 169.8 | 0 | 0 | 120 | | |
| 1075 | N | 38.5 | Very low | 39.8 | Very low | 129 Ų | 129 | 132 Ų | 132 | 69% | 0.69 | 73% | 0.731 | S | S | * | * | | | | 74.3 | 97.2 | 120.5 | -57.4 | -13.4 | 0 | 0 | 0 | 120.4 | | |
| 1076 | S | 35.7 | Very low | 39.7 | Very low | 93 Ų | 93 | 134.8 Ų | 134.8 | 65% | 0.65 | 73% | 0.733 | S | S | * | * | | | | 41.6 | 127 | 115.3 | 68.6 | 0 | 0 | 0 | 0 | 120.8 | | |
| 1077 | L | 43.5 | Very low | 39.6 | Very low | 148 Ų | 148 | 137.3 Ų | 137.3 | 78% | 0.775 | 75% | 0.746 | S | S | * | * | | | trans | 71.7 | 150.3 | 163.1 | -84.8 | 83.4 | 0 | 0 | 0 | 114.5 | | |
| 1078 | P | 46.2 | Very low | 39.6 | Very low | 123 Ų | 123 | 141.4 Ų | 141.4 | 80% | 0.799 | 76% | 0.755 | S | S | * | * | | | cis | -127.6 | 169.3 | 44.2 | 39.4 | -24.2 | 0 | 0 | 0 | 117.6 | | |
| 1079 | R | 41.7 | Very low | 39.7 | Very low | 179 Ų | 179 | 138.9 Ų | 138.9 | 68% | 0.675 | 75% | 0.751 | S | S | * | * | | | trans | -73.7 | 139.5 | 177.5 | -62.3 | 174 | 172.7 | -176.7 | -4 | 111.8 | V1081 | R1079-V1081 PolarHBondContact O-N 3.26Š|
| 1080 | P | 45.9 | Very low | 40.1 | Very low | 132 Ų | 132 | 139.6 Ų | 139.6 | 86% | 0.857 | 76% | 0.755 | S | S | * | * | | | trans | -74.6 | 111.3 | 163.3 | 30.2 | -31.6 | 0 | 0 | 0 | 110.2 | | |
| 1081 | V | 41.1 | Very low | 40.4 | Very low | 138 Ų | 138 | 142.6 Ų | 142.6 | 84% | 0.836 | 76% | 0.755 | S | S | * | * | | | trans | -80.8 | 146.2 | 169.3 | -71.7 | 0 | 0 | 0 | 0 | 111 | R1079 | R1079-V1081 PolarHBondContact O-N 3.26Š|
| 1082 | S | 34.1 | Very low | 40.7 | Very low | 114 Ų | 114 | 139.1 Ų | 139.1 | 80% | 0.797 | 76% | 0.756 | S | S | * | * | | | trans | -80.2 | 121.6 | -179.4 | 50.1 | 0 | 0 | 0 | 0 | 112.3 | | |
| 1083 | S | 38.3 | Very low | 40.5 | Very low | 119 Ų | 119 | 139.6 Ų | 139.6 | 83% | 0.832 | 76% | 0.759 | S | S | * | * | | | trans | -163.1 | 111.4 | 154.8 | -88.2 | 0 | 0 | 0 | 0 | 114.6 | | |
| 1084 | L | 40.6 | Very low | 41 | Very low | 152 Ų | 152 | 139.4 Ų | 139.4 | 80% | 0.796 | 76% | 0.76 | S | S | * | * | | | | 62.8 | 101.8 | 128 | -149.6 | 69.7 | 0 | 0 | 0 | 121 | | |
| 1085 | E | 40.9 | Very low | 41.5 | Very low | 124 Ų | 124 | 136.5 Ų | 136.5 | 58% | 0.579 | 76% | 0.759 | S | S | * | * | | | trans | 81.7 | 113.9 | 137 | -76.2 | -161.3 | 116.8 | 0 | 0 | 123.7 | | |
| 1086 | R | 38.3 | Very low | 42.3 | Very low | 177 Ų | 177 | 136.7 Ų | 136.7 | 67% | 0.668 | 77% | 0.767 | S | S | * | * | | | | 86.7 | 94.1 | 116.2 | -168.6 | -157.7 | -60.1 | 133.4 | -13.1 | 117.9 | | |
| 1087 | N | 38.5 | Very low | 43.5 | Very low | 157 Ų | 157 | 136.3 Ų | 136.3 | 84% | 0.84 | 77% | 0.77 | S | S | * | * | | | | -166 | 179.3 | 109.5 | -98.5 | -59.2 | 0 | 0 | 0 | 112.7 | | |
| 1088 | R | 42.4 | Very low | 44.9 | Very low | 231 Ų | 231 | 134.7 Ų | 134.7 | 87% | 0.872 | 77% | 0.768 | S | S | * | * | | | trans | -129 | -176.5 | -163.6 | -119.3 | -171.3 | -153.6 | -105.4 | 2 | 109.9 | | |
| 1089 | P | 39.2 | Very low | 46.3 | Very low | 101 Ų | 101 | 136.3 Ų | 136.3 | 66% | 0.656 | 76% | 0.763 | S | S | * | * | | | cis | -143.1 | -175.8 | -3.5 | 27.7 | -1.7 | 0 | 0 | 0 | 117.7 | | |
| 1090 | V | 46.5 | Very low | 48.4 | Very low | 115 Ų | 115 | 129.9 Ų | 129.9 | 70% | 0.697 | 75% | 0.752 | S | S | * | * | | | trans | 109.6 | 135.7 | 148.6 | -168.4 | 0 | 0 | 0 | 0 | 117.6 | | |
| 1091 | E | 41.7 | Very low | 50.3 | Low | 185 Ų | 185 | 129.3 Ų | 129.3 | 86% | 0.864 | 74% | 0.738 | S | S | * | * | | | trans | 43.9 | 92.8 | 165.5 | -74.1 | 169.3 | 115.9 | 0 | 0 | 122.8 | | |
| 1092 | A | 41.3 | Very low | 52.4 | Low | 97 Ų | 97 | 126 Ų | 126 | 80% | 0.802 | 72% | 0.721 | S | S | * | * | | | | -154.8 | 161.9 | 126.9 | 0 | 0 | 0 | 0 | 0 | 108.5 | P1094 | A1092-P1094 VanDerWaalsContact O-CD 3.25Å; A1092-P1094 WeakPolarHBondContact O-CD 3.31Å |
| 1093 | N | 36.8 | Very low | 54.8 | Low | 164 Ų | 164 | 123.4 Ų | 123.4 | 88% | 0.877 | 70% | 0.701 | S | S | * | * | | | trans | -119.3 | 77.5 | -168.3 | -171.2 | 21.8 | 0 | 0 | 0 | 114.9 | | |
| 1094 | P | 47.5 | Very low | 57.2 | Low | 106 Ų | 106 | 120 Ų | 120 | 69% | 0.688 | 67% | 0.673 | S | S | * | * | | | trans | -82.3 | 161.6 | 166 | 35 | -34 | 0 | 0 | 0 | 112 | A1092 | A1092-P1094 VanDerWaalsContact O-CD 3.25Å; A1092-P1094 WeakPolarHBondContact O-CD 3.31Å |
| 1095 | A | 52.3 | Low | 59.6 | Low | 83 Ų | 83 | 119.2 Ų | 119.2 | 69% | 0.686 | 66% | 0.659 | S | S | * | * | | | trans | -54.6 | 150.2 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | A1097 | A1095-A1097 PolarHBondContact O-N 3.36Š|
| 1096 | P | 55.1 | Low | 61.8 | Low | 132 Ų | 132 | 123.8 Ų | 123.8 | 86% | 0.857 | 67% | 0.671 | S | S | * | * | | | trans | -62.4 | 108 | -176.7 | 25.4 | -34.8 | 0 | 0 | 0 | 111.4 | | |
| 1097 | A | 61.9 | Low | 64.3 | Low | 86 Ų | 86 | 118.9 Ų | 118.9 | 71% | 0.711 | 66% | 0.661 | S | S | * | * | | | trans | -58.2 | 141.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | A1095 | A1095-A1097 PolarHBondContact O-N 3.36Š|
| 1098 | P | 73.2 | Confident | 66.8 | Low | 113 Ų | 113 | 112.4 Ų | 112.4 | 73% | 0.734 | 63% | 0.631 | S | S | * | * | | | trans | -59.6 | 150.5 | -177.7 | 24.7 | -34.4 | 0 | 0 | 0 | 111.7 | G1100 | P1098-G1100 PolarHBondContact O-N 2.84Š|
| 1099 | F | 75.5 | Confident | 69.1 | Low | 158 Ų | 158 | 106.2 Ų | 106.2 | 69% | 0.693 | 61% | 0.611 | S | S | * | * | | | trans | -48.2 | 111.3 | -173.7 | -70.9 | -77.8 | 0 | 0 | 0 | 112.4 | T1103 L1104 | F1099-T1103 HydrophobicContact CD1-CG2 3.81Å; F1099-T1103 HydrophobicContact CE1-CG2 4.48Å; F1099-L1104 HydrophobicContact CB-CD2 3.97Å; F1099-L1104 HydrophobicContact CB-CG 4.21Å; F1099-L1104 VanDerWaalsContact O-CD1 3.29Å; F1099-L1104 WeakPolarHBondContact O-CD1 3.1Å; F1099-L1104 WeakPolarHBondContact O-CG 3.38Å |
| 1100 | G | 86.4 | Confident | 71.6 | Confident | 44 Ų | 44 | 106.2 Ų | 106.2 | 45% | 0.454 | 60% | 0.6 | S | S | . | * | | | trans | -58.6 | 153.7 | -179 | 0 | 0 | 0 | 0 | 0 | 112.7 | P1098 S1102 T1103 L1104 | P1098-G1100 PolarHBondContact O-N 2.84Å; G1100-S1102 PolarHBondContact O-N 3.48Å; G1100-T1103 WeakPolarHBondContact O-CA 3.38Å; G1100-T1103 WeakPolarHBondContact O-CB 3.46Å; G1100-T1103 PolarHBondContact O-N 2.85Å; G1100-L1104 PolarHBondContact O-N 3.23Å; G1100-L1104 VanDerWaalsContact O-N 3.13Å |
| 1101 | Q | 84.4 | Confident | 73.8 | Confident | 119 Ų | 119 | 106.9 Ų | 106.9 | 56% | 0.556 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -55.1 | -25 | -172.3 | -158.8 | -143.9 | 62.6 | 0 | 0 | 114.6 | R1105 | Q1101-R1105 WeakPolarHBondContact O-CG 3.07Å; Q1101-R1105 PolarHBondContact O-N 3.16Å; Q1101-R1105 PolarHBondContact O-NE 3.15Å |
| 1102 | S | 84.7 | Confident | 76.3 | Confident | 69 Ų | 69 | 105.5 Ų | 105.5 | 48% | 0.483 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -74.1 | -34 | 172.7 | -169 | 0 | 0 | 0 | 0 | 113.1 | G1100 R1106 | G1100-S1102 PolarHBondContact O-N 3.48Å; S1102-R1106 WeakPolarHBondContact O-CB 3.49Å; S1102-R1106 VanDerWaalsContact O-CG 3.26Å; S1102-R1106 WeakPolarHBondContact O-CG 3.28Å; S1102-R1106 PolarHBondContact O-N 3.43Å |
| 1103 | T | 85.6 | Confident | 78.6 | Confident | 60 Ų | 60 | 105.9 Ų | 105.9 | 37% | 0.368 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -73.3 | -42.9 | 175.1 | -51 | 0 | 0 | 0 | 0 | 110.4 | F1099 G1100 R1105 R1106 T1107 | F1099-T1103 HydrophobicContact CD1-CG2 3.81Å; F1099-T1103 HydrophobicContact CE1-CG2 4.48Å; G1100-T1103 WeakPolarHBondContact O-CA 3.38Å; G1100-T1103 WeakPolarHBondContact O-CB 3.46Å; G1100-T1103 PolarHBondContact O-N 2.85Å; T1103-R1105 PolarHBondContact O-N 3.29Å; T1103-R1106 PolarHBondContact O-N 3.35Å; T1103-T1107 HydrophobicContact CG2-CG2 4.02Å; T1103-T1107 PolarHBondContact O-N 3.15Å; T1103-T1107 PolarHBondContact O-OG1 2.86Å; T1103-T1107 VanDerWaalsContact O-OG1 3.06Å |
| 1104 | L | 88.9 | Confident | 81.2 | Confident | 48 Ų | 48 | 102.7 Ų | 102.7 | 25% | 0.251 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -56 | -35.7 | 174.7 | -64.7 | 171.3 | 0 | 0 | 0 | 112.4 | F1099 G1100 F1109 K1110 | F1099-L1104 HydrophobicContact CB-CD2 3.97Å; F1099-L1104 HydrophobicContact CB-CG 4.21Å; F1099-L1104 VanDerWaalsContact O-CD1 3.29Å; F1099-L1104 WeakPolarHBondContact O-CD1 3.1Å; F1099-L1104 WeakPolarHBondContact O-CG 3.38Å; G1100-L1104 PolarHBondContact O-N 3.23Å; G1100-L1104 VanDerWaalsContact O-N 3.13Å; L1104-F1109 HydrophobicContact CD2-CD1 3.67Å; L1104-F1109 HydrophobicContact CD2-CE1 4.28Å; L1104-F1109 PolarHBondContact O-N 3.48Å; L1104-K1110 HydrophobicContact CB-CB 4.33Å; L1104-K1110 WeakPolarHBondContact O-CB 3.46Å; L1104-K1110 PolarHBondContact O-N 2.97Å |
| 1105 | R | 89.7 | Confident | 83.2 | Confident | 135 Ų | 135 | 100.2 Ų | 100.2 | 51% | 0.509 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -70 | -53.2 | 169.4 | -76.1 | -174.1 | -86.4 | 162.9 | -10.7 | 112.2 | Q1101 T1103 T1107 G1108 K1110 | Q1101-R1105 WeakPolarHBondContact O-CG 3.07Å; Q1101-R1105 PolarHBondContact O-N 3.16Å; Q1101-R1105 PolarHBondContact O-NE 3.15Å; T1103-R1105 PolarHBondContact O-N 3.29Å; R1105-T1107 VanDerWaalsContact C-N 3.26Å; R1105-T1107 PolarHBondContact O-N 2.96Å; R1105-G1108 PolarHBondContact O-N 3.03Å; R1105-G1108 VanDerWaalsContact O-N 3.13Å; R1105-K1110 HydrophobicContact CG-CD 4.26Å |
| 1106 | R | 88.2 | Confident | 85.2 | Confident | 220 Ų | 220 | 102.5 Ų | 102.5 | 83% | 0.83 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -67 | -16.6 | -174.2 | -70.2 | -179.5 | 83.6 | -152.1 | 4.6 | 115.5 | S1102 T1103 | S1102-R1106 WeakPolarHBondContact O-CB 3.49Å; S1102-R1106 VanDerWaalsContact O-CG 3.26Å; S1102-R1106 WeakPolarHBondContact O-CG 3.28Å; S1102-R1106 PolarHBondContact O-N 3.43Å; T1103-R1106 PolarHBondContact O-N 3.35Å |
| 1107 | T | 89.8 | Confident | 86.9 | Confident | 74 Ų | 74 | 101.3 Ų | 101.3 | 45% | 0.454 | 52% | 0.518 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.7 | 7.1 | 175.5 | 59.9 | 0 | 0 | 0 | 0 | 113.8 | T1103 R1105 F1109 R1112 | T1103-T1107 HydrophobicContact CG2-CG2 4.02Å; T1103-T1107 PolarHBondContact O-N 3.15Å; T1103-T1107 PolarHBondContact O-OG1 2.86Å; T1103-T1107 VanDerWaalsContact O-OG1 3.06Å; R1105-T1107 VanDerWaalsContact C-N 3.26Å; R1105-T1107 PolarHBondContact O-N 2.96Å; T1107-F1109 PolarHBondContact O-N 2.94Å; T1107-F1109 WeakPolarHBondContact OG1-CB 3.43Å; T1107-R1112 PolarHBondContact O-NH2 3.32Å |
| 1108 | G | 91.4 | Very high | 88.2 | Confident | 21 Ų | 21 | 104 Ų | 104 | 22% | 0.216 | 52% | 0.515 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 58 | 17.5 | -172.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | R1105 E1111 R1112 | R1105-G1108 PolarHBondContact O-N 3.03Å; R1105-G1108 VanDerWaalsContact O-N 3.13Å; G1108-E1111 WeakPolarHBondContact CA-OE2 3.39Å; G1108-R1112 WeakPolarHBondContact O-CB 3.4Å; G1108-R1112 WeakPolarHBondContact O-CG 3.28Å; G1108-R1112 PolarHBondContact O-N 3.28Å; G1108-R1112 PolarHBondContact O-NE 3.09Å; G1108-R1112 VanDerWaalsContact O-NE 3.14Å |
| 1109 | F | 91.3 | Very high | 89.1 | Confident | 100 Ų | 100 | 103.9 Ų | 103.9 | 44% | 0.439 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -79.9 | -34.8 | -176.9 | -172.3 | -93.4 | 0 | 0 | 0 | 111.2 | L1104 T1107 E1111 M1113 | L1104-F1109 HydrophobicContact CD2-CD1 3.67Å; L1104-F1109 HydrophobicContact CD2-CE1 4.28Å; L1104-F1109 PolarHBondContact O-N 3.48Å; T1107-F1109 PolarHBondContact O-N 2.94Å; T1107-F1109 WeakPolarHBondContact OG1-CB 3.43Å; F1109-E1111 VanDerWaalsContact C-N 3.32Å; F1109-M1113 HydrophobicContact CD1-CE 4.03Å; F1109-M1113 HydrophobicContact CE1-CE 3.48Å; F1109-M1113 VanDerWaalsContact CE1-CE 3.48Å; F1109-M1113 HydrophobicContact CZ-CE 4.39Å; F1109-M1113 VanDerWaalsContact O-CB 3.29Å; F1109-M1113 WeakPolarHBondContact O-CB 3.29Å; F1109-M1113 PolarHBondContact O-N 2.68Å |
| 1110 | K | 91.9 | Very high | 89.7 | Confident | 101 Ų | 101 | 102 Ų | 102 | 44% | 0.439 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.9 | -42.3 | 171.2 | -164.3 | -164.9 | 176 | -160.8 | 0 | 111.1 | L1104 R1105 M1113 L1114 | L1104-K1110 HydrophobicContact CB-CB 4.33Å; L1104-K1110 WeakPolarHBondContact O-CB 3.46Å; L1104-K1110 PolarHBondContact O-N 2.97Å; R1105-K1110 HydrophobicContact CG-CD 4.26Å; K1110-M1113 PolarHBondContact O-N 3.49Å; K1110-L1114 WeakPolarHBondContact O-CB 3.47Å; K1110-L1114 PolarHBondContact O-N 3.07Å |
| 1111 | E | 91.8 | Very high | 89.8 | Confident | 129 Ų | 129 | 105.8 Ų | 105.8 | 60% | 0.603 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -69.3 | -43.3 | 179.5 | -71.2 | 145.4 | 166.2 | 0 | 0 | 111.4 | G1108 F1109 M1113 L1114 A1115 | G1108-E1111 WeakPolarHBondContact CA-OE2 3.39Å; F1109-E1111 VanDerWaalsContact C-N 3.32Å; E1111-M1113 VanDerWaalsContact C-N 3.33Å; E1111-M1113 PolarHBondContact O-N 2.89Å; E1111-L1114 PolarHBondContact O-N 3.17Å; E1111-A1115 VanDerWaalsContact O-CB 3.28Å; E1111-A1115 WeakPolarHBondContact O-CB 3.43Å; E1111-A1115 PolarHBondContact O-N 3.31Å |
| 1112 | R | 94.2 | Very high | 90 | Very high | 157 Ų | 157 | 104.5 Ų | 104.5 | 59% | 0.592 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -62.3 | -36.2 | 172.5 | -76.5 | -179.8 | -73.5 | 166 | -7.6 | 113.4 | T1107 G1108 K1116 | T1107-R1112 PolarHBondContact O-NH2 3.32Å; G1108-R1112 WeakPolarHBondContact O-CB 3.4Å; G1108-R1112 WeakPolarHBondContact O-CG 3.28Å; G1108-R1112 PolarHBondContact O-N 3.28Å; G1108-R1112 PolarHBondContact O-NE 3.09Å; G1108-R1112 VanDerWaalsContact O-NE 3.14Å; R1112-K1116 WeakPolarHBondContact O-CB 3.28Å; R1112-K1116 PolarHBondContact O-N 3.23Å |
| 1113 | M | 90.8 | Very high | 90 | Very high | 104 Ų | 104 | 106.1 Ų | 106.1 | 51% | 0.512 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -65.5 | -48.9 | 174.3 | -176.5 | -173.5 | -63.9 | 0 | 0 | 111.1 | F1109 K1110 E1111 A1115 K1116 E1117 | F1109-M1113 HydrophobicContact CD1-CE 4.03Å; F1109-M1113 HydrophobicContact CE1-CE 3.48Å; F1109-M1113 VanDerWaalsContact CE1-CE 3.48Å; F1109-M1113 HydrophobicContact CZ-CE 4.39Å; F1109-M1113 VanDerWaalsContact O-CB 3.29Å; F1109-M1113 WeakPolarHBondContact O-CB 3.29Å; F1109-M1113 PolarHBondContact O-N 2.68Å; K1110-M1113 PolarHBondContact O-N 3.49Å; E1111-M1113 VanDerWaalsContact C-N 3.33Å; E1111-M1113 PolarHBondContact O-N 2.89Å; M1113-A1115 PolarHBondContact O-N 3.42Å; M1113-K1116 PolarHBondContact O-N 3.16Å; M1113-E1117 PolarHBondContact O-N 3.21Å |
| 1114 | L | 90.5 | Very high | 89.9 | Confident | 98 Ų | 98 | 105.4 Ų | 105.4 | 51% | 0.513 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -65.2 | -39.2 | -179.9 | -157.1 | 77.8 | 0 | 0 | 0 | 112 | K1110 E1111 E1117 Q1118 | K1110-L1114 WeakPolarHBondContact O-CB 3.47Å; K1110-L1114 PolarHBondContact O-N 3.07Å; E1111-L1114 PolarHBondContact O-N 3.17Å; L1114-E1117 PolarHBondContact O-N 2.97Å; L1114-Q1118 WeakPolarHBondContact O-CB 3.25Å; L1114-Q1118 PolarHBondContact O-N 3.23Å |
| 1115 | A | 90.4 | Very high | 89.5 | Confident | 54 Ų | 54 | 108.1 Ų | 108.1 | 45% | 0.446 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -66.6 | -36.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | E1111 M1113 Q1118 Q1119 | E1111-A1115 VanDerWaalsContact O-CB 3.28Å; E1111-A1115 WeakPolarHBondContact O-CB 3.43Å; E1111-A1115 PolarHBondContact O-N 3.31Å; M1113-A1115 PolarHBondContact O-N 3.42Å; A1115-Q1118 PolarHBondContact O-N 3.25Å; A1115-Q1119 WeakPolarHBondContact O-CB 3.45Å; A1115-Q1119 PolarHBondContact O-N 3.47Å |
| 1116 | K | 93.6 | Very high | 89.1 | Confident | 130 Ų | 130 | 109.4 Ų | 109.4 | 57% | 0.565 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -66.3 | -44.7 | 172.9 | -169.9 | -165.8 | 170.2 | -159 | 0 | 111.2 | R1112 M1113 Q1118 Q1119 E1120 | R1112-K1116 WeakPolarHBondContact O-CB 3.28Å; R1112-K1116 PolarHBondContact O-N 3.23Å; M1113-K1116 PolarHBondContact O-N 3.16Å; K1116-Q1118 VanDerWaalsContact C-N 3.3Å; K1116-Q1118 PolarHBondContact O-N 3.15Å; K1116-Q1119 WeakPolarHBondContact O-CB 3.39Å; K1116-Q1119 PolarHBondContact O-N 2.68Å; K1116-E1120 WeakPolarHBondContact O-CB 3.46Å; K1116-E1120 PolarHBondContact O-N 3.41Å |
| 1117 | E | 90.9 | Very high | 88.5 | Confident | 108 Ų | 108 | 104.4 Ų | 104.4 | 51% | 0.505 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -59 | -41.7 | 175.8 | -177.8 | 176.6 | -162.4 | 0 | 0 | 111.5 | M1113 L1114 E1120 Q1121 | M1113-E1117 PolarHBondContact O-N 3.21Å; L1114-E1117 PolarHBondContact O-N 2.97Å; E1117-E1120 PolarHBondContact O-N 3.4Å; E1117-Q1121 PolarHBondContact O-N 3.35Å |
| 1118 | Q | 89.9 | Confident | 87.5 | Confident | 141 Ų | 141 | 109.9 Ų | 109.9 | 66% | 0.659 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -66.4 | -39.7 | 174.2 | -168.2 | 174.3 | 16.5 | 0 | 0 | 112.6 | L1114 A1115 K1116 E1120 Q1121 E1122 | L1114-Q1118 WeakPolarHBondContact O-CB 3.25Å; L1114-Q1118 PolarHBondContact O-N 3.23Å; A1115-Q1118 PolarHBondContact O-N 3.25Å; K1116-Q1118 VanDerWaalsContact C-N 3.3Å; K1116-Q1118 PolarHBondContact O-N 3.15Å; Q1118-E1120 VanDerWaalsContact C-N 3.33Å; Q1118-Q1121 PolarHBondContact O-N 3.23Å; Q1118-E1122 PolarHBondContact O-N 3.09Å |
| 1119 | Q | 91.1 | Very high | 86.1 | Confident | 112 Ų | 112 | 113 Ų | 113 | 52% | 0.523 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -65.3 | -35.8 | 173.6 | -170.8 | -174.9 | 16 | 0 | 0 | 111.9 | A1115 K1116 E1122 Q1123 | A1115-Q1119 WeakPolarHBondContact O-CB 3.45Å; A1115-Q1119 PolarHBondContact O-N 3.47Å; K1116-Q1119 WeakPolarHBondContact O-CB 3.39Å; K1116-Q1119 PolarHBondContact O-N 2.68Å; Q1119-E1122 PolarHBondContact O-N 3.37Å; Q1119-Q1123 WeakPolarHBondContact O-CG 3.5Å; Q1119-Q1123 PolarHBondContact O-N 3.48Å |
| 1120 | E | 89.1 | Confident | 84.7 | Confident | 117 Ų | 117 | 112.6 Ų | 112.6 | 55% | 0.547 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -70.6 | -37.9 | 176.9 | -164 | 165.8 | 152.4 | 0 | 0 | 111.1 | K1116 E1117 Q1118 Q1123 A1124 | K1116-E1120 WeakPolarHBondContact O-CB 3.46Å; K1116-E1120 PolarHBondContact O-N 3.41Å; E1117-E1120 PolarHBondContact O-N 3.4Å; Q1118-E1120 VanDerWaalsContact C-N 3.33Å; E1120-Q1123 PolarHBondContact O-N 3.07Å; E1120-A1124 WeakPolarHBondContact O-CB 3.46Å; E1120-A1124 PolarHBondContact O-N 2.81Å |
| 1121 | Q | 88.3 | Confident | 82.7 | Confident | 125 Ų | 125 | 113 Ų | 113 | 58% | 0.584 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -62.4 | -42.8 | 167.5 | -74 | -170 | 6.7 | 0 | 0 | 112.4 | E1117 Q1118 A1124 L1125 | E1117-Q1121 PolarHBondContact O-N 3.35Å; Q1118-Q1121 PolarHBondContact O-N 3.23Å; Q1121-A1124 PolarHBondContact O-N 2.79Å; Q1121-L1125 WeakPolarHBondContact O-CB 3.49Å; Q1121-L1125 WeakPolarHBondContact O-CG 3.32Å; Q1121-L1125 PolarHBondContact O-N 2.98Å |
| 1122 | E | 87.3 | Confident | 80.5 | Confident | 92 Ų | 92 | 113.4 Ų | 113.4 | 43% | 0.43 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -65 | -39.7 | 177.2 | -156.9 | -158.5 | 138.2 | 0 | 0 | 111.7 | Q1118 Q1119 L1125 R1126 | Q1118-E1122 PolarHBondContact O-N 3.09Å; Q1119-E1122 PolarHBondContact O-N 3.37Å; E1122-L1125 PolarHBondContact O-N 2.75Å; E1122-R1126 WeakPolarHBondContact O-CB 3.3Å; E1122-R1126 WeakPolarHBondContact O-CG 3.35Å; E1122-R1126 PolarHBondContact O-N 3.36Å; E1122-R1126 IonicContact OE1-CZ 3.15Å; E1122-R1126 IonicContact OE1-NE 2.8Å; E1122-R1126 PolarHBondContact OE1-NE 3.26Å; E1122-R1126 IonicContact OE1-NH2 2.67Å; E1122-R1126 PolarHBondContact OE1-NH2 3.45Å |
| 1123 | Q | 85.3 | Confident | 77.9 | Confident | 103 Ų | 103 | 113.8 Ų | 113.8 | 48% | 0.481 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -64.3 | -43.2 | 173.3 | -73.8 | -178.6 | 36.4 | 0 | 0 | 111.9 | Q1119 E1120 L1125 R1126 I1127 | Q1119-Q1123 WeakPolarHBondContact O-CG 3.5Å; Q1119-Q1123 PolarHBondContact O-N 3.48Å; E1120-Q1123 PolarHBondContact O-N 3.07Å; Q1123-L1125 VanDerWaalsContact C-N 3.31Å; Q1123-L1125 PolarHBondContact O-N 3.3Å; Q1123-R1126 PolarHBondContact O-N 3.45Å; Q1123-I1127 WeakPolarHBondContact O-CB 3.22Å; Q1123-I1127 VanDerWaalsContact O-CG1 3.25Å; Q1123-I1127 WeakPolarHBondContact O-CG1 3.22Å; Q1123-I1127 PolarHBondContact O-N 2.85Å |
| 1124 | A | 82.8 | Confident | 75.5 | Confident | 45 Ų | 45 | 113.8 Ų | 113.8 | 37% | 0.372 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -63.5 | -35.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | E1120 Q1121 R1128 | E1120-A1124 WeakPolarHBondContact O-CB 3.46Å; E1120-A1124 PolarHBondContact O-N 2.81Å; Q1121-A1124 PolarHBondContact O-N 2.79Å; A1124-R1128 WeakPolarHBondContact O-CB 3.43Å; A1124-R1128 VanDerWaalsContact O-CG 3.3Å; A1124-R1128 WeakPolarHBondContact O-CG 3.23Å; A1124-R1128 PolarHBondContact O-N 3.13Å; A1124-R1128 VanDerWaalsContact O-N 3.14Å |
| 1125 | L | 81.4 | Confident | 73.4 | Confident | 105 Ų | 105 | 116.9 Ų | 116.9 | 55% | 0.55 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -68.2 | -47.3 | 172.1 | -74.5 | 171.5 | 0 | 0 | 0 | 111.6 | Q1121 E1122 Q1123 I1127 R1128 V1129 | Q1121-L1125 WeakPolarHBondContact O-CB 3.49Å; Q1121-L1125 WeakPolarHBondContact O-CG 3.32Å; Q1121-L1125 PolarHBondContact O-N 2.98Å; E1122-L1125 PolarHBondContact O-N 2.75Å; Q1123-L1125 VanDerWaalsContact C-N 3.31Å; Q1123-L1125 PolarHBondContact O-N 3.3Å; L1125-I1127 PolarHBondContact O-N 3.48Å; L1125-R1128 PolarHBondContact O-N 2.87Å; L1125-R1128 VanDerWaalsContact O-N 3.15Å; L1125-V1129 WeakPolarHBondContact O-CG2 3.33Å; L1125-V1129 PolarHBondContact O-N 2.91Å |
| 1126 | R | 81.5 | Confident | 71 | Confident | 161 Ų | 161 | 120.3 Ų | 120.3 | 61% | 0.608 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -58.1 | -46.1 | 175.7 | -74.2 | -179.6 | -174.3 | -139.1 | 6.6 | 111.6 | E1122 Q1123 R1128 V1129 S1130 | E1122-R1126 WeakPolarHBondContact O-CB 3.3Å; E1122-R1126 WeakPolarHBondContact O-CG 3.35Å; E1122-R1126 PolarHBondContact O-N 3.36Å; E1122-R1126 IonicContact OE1-CZ 3.15Å; E1122-R1126 IonicContact OE1-NE 2.8Å; E1122-R1126 PolarHBondContact OE1-NE 3.26Å; E1122-R1126 IonicContact OE1-NH2 2.67Å; E1122-R1126 PolarHBondContact OE1-NH2 3.45Å; Q1123-R1126 PolarHBondContact O-N 3.45Å; R1126-R1128 VanDerWaalsContact C-N 3.29Å; R1126-R1128 PolarHBondContact O-N 2.92Å; R1126-V1129 PolarHBondContact O-N 2.67Å; R1126-V1129 VanDerWaalsContact O-N 3.16Å; R1126-S1130 WeakPolarHBondContact O-CB 3.41Å; R1126-S1130 PolarHBondContact O-N 2.84Å; R1126-S1130 PolarHBondContact O-OG 3.12Å; R1126-S1130 VanDerWaalsContact O-OG 3.14Å |
| 1127 | I | 75.2 | Confident | 68.4 | Low | 115 Ų | 115 | 119.9 Ų | 119.9 | 59% | 0.59 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -59.8 | -39.6 | 176.7 | -68.7 | 163.7 | 0 | 0 | 0 | 111.2 | Q1123 L1125 V1131 | Q1123-I1127 WeakPolarHBondContact O-CB 3.22Å; Q1123-I1127 VanDerWaalsContact O-CG1 3.25Å; Q1123-I1127 WeakPolarHBondContact O-CG1 3.22Å; Q1123-I1127 PolarHBondContact O-N 2.85Å; L1125-I1127 PolarHBondContact O-N 3.48Å; I1127-V1131 WeakPolarHBondContact O-CG2 3.25Å; I1127-V1131 PolarHBondContact O-N 2.83Å |
| 1128 | R | 69.9 | Low | 65.9 | Low | 190 Ų | 190 | 119.8 Ų | 119.8 | 72% | 0.717 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -70.8 | -31.7 | 176.1 | -75.1 | 173.1 | 176.2 | 176.9 | -0.7 | 113.8 | A1124 L1125 R1126 | A1124-R1128 WeakPolarHBondContact O-CB 3.43Å; A1124-R1128 VanDerWaalsContact O-CG 3.3Å; A1124-R1128 WeakPolarHBondContact O-CG 3.23Å; A1124-R1128 PolarHBondContact O-N 3.13Å; A1124-R1128 VanDerWaalsContact O-N 3.14Å; L1125-R1128 PolarHBondContact O-N 2.87Å; L1125-R1128 VanDerWaalsContact O-N 3.15Å; R1126-R1128 VanDerWaalsContact C-N 3.29Å; R1126-R1128 PolarHBondContact O-N 2.92Å |
| 1129 | V | 62.1 | Low | 63.3 | Low | 87 Ų | 87 | 117.2 Ų | 117.2 | 53% | 0.527 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -76.2 | -45.2 | 176.1 | 172.4 | 0 | 0 | 0 | 0 | 110.9 | L1125 R1126 V1131 N1132 | L1125-V1129 WeakPolarHBondContact O-CG2 3.33Å; L1125-V1129 PolarHBondContact O-N 2.91Å; R1126-V1129 PolarHBondContact O-N 2.67Å; R1126-V1129 VanDerWaalsContact O-N 3.16Å; V1129-V1131 PolarHBondContact O-N 3Å; V1129-V1131 VanDerWaalsContact O-N 3.09Å; V1129-N1132 PolarHBondContact O-N 3.34Å |
| 1130 | S | 60.8 | Low | 60.9 | Low | 90 Ų | 90 | 119.1 Ų | 119.1 | 63% | 0.629 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.1 | -3.8 | -178.9 | -61 | 0 | 0 | 0 | 0 | 115.2 | R1126 | R1126-S1130 WeakPolarHBondContact O-CB 3.41Å; R1126-S1130 PolarHBondContact O-N 2.84Å; R1126-S1130 PolarHBondContact O-OG 3.12Å; R1126-S1130 VanDerWaalsContact O-OG 3.14Å |
| 1131 | V | 50.6 | Low | 58.9 | Low | 110 Ų | 110 | 118 Ų | 118 | 67% | 0.667 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.6 | -14.4 | 169.9 | 165.5 | 0 | 0 | 0 | 0 | 112.2 | I1127 V1129 | I1127-V1131 WeakPolarHBondContact O-CG2 3.25Å; I1127-V1131 PolarHBondContact O-N 2.83Å; V1129-V1131 PolarHBondContact O-N 3Å; V1129-V1131 VanDerWaalsContact O-N 3.09Å |
| 1132 | N | 44.9 | Very low | 56.7 | Low | 138 Ų | 138 | 117.6 Ų | 117.6 | 74% | 0.738 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -107.2 | 2.5 | -174.7 | -73.4 | 10.2 | 0 | 0 | 0 | 115 | V1129 | V1129-N1132 PolarHBondContact O-N 3.34Š|
| 1133 | E | 39.2 | Very low | 54.6 | Low | 164 Ų | 164 | 123 Ų | 123 | 77% | 0.766 | 70% | 0.699 | S | S | * | * | | | trans | -126.1 | 75.3 | -177.8 | -69.9 | -168.7 | 126.4 | 0 | 0 | 112.7 | | |
| 1134 | S | 40.4 | Very low | 52.6 | Low | 105 Ų | 105 | 123 Ų | 123 | 73% | 0.734 | 71% | 0.711 | S | S | * | * | | | trans | -148.5 | 62.4 | 171.2 | 72 | 0 | 0 | 0 | 0 | 114 | | |
| 1135 | I | 46.7 | Very low | 51.2 | Low | 163 Ų | 163 | 126.6 Ų | 126.6 | 84% | 0.836 | 73% | 0.73 | S | S | * | * | | | trans | -123.5 | 113.3 | 159 | -58.8 | -179.7 | 0 | 0 | 0 | 107.7 | | |
| 1136 | P | 40.7 | Very low | 49.7 | Very low | 125 Ų | 125 | 126.6 Ų | 126.6 | 81% | 0.812 | 74% | 0.737 | S | S | * | * | | | trans | -79.9 | 136.6 | 178.2 | 32 | -33 | 0 | 0 | 0 | 110.7 | | |
| 1137 | S | 38.3 | Very low | 48 | Very low | 122 Ų | 122 | 127.7 Ų | 127.7 | 85% | 0.853 | 75% | 0.749 | S | S | * | * | | | trans | -146.5 | 136.6 | 160.5 | -164.1 | 0 | 0 | 0 | 0 | 110.8 | | |
| 1138 | S | 39.4 | Very low | 46.5 | Very low | 105 Ų | 105 | 127.7 Ų | 127.7 | 73% | 0.734 | 76% | 0.759 | S | S | * | * | | | trans | -92.8 | 140 | -173.6 | 53.8 | 0 | 0 | 0 | 0 | 112.4 | | |
| 1139 | A | 35.4 | Very low | 45.5 | Very low | 87 Ų | 87 | 127.9 Ų | 127.9 | 72% | 0.719 | 77% | 0.765 | S | S | * | * | | | trans | 41.7 | 110.8 | 147.2 | 0 | 0 | 0 | 0 | 0 | 119.3 | | |
| 1140 | T | 39.5 | Very low | 44.6 | Very low | 152 Ų | 152 | 129.3 Ų | 129.3 | 93% | 0.933 | 78% | 0.776 | S | S | * | * | | | | -169.7 | 171.2 | 113.3 | 19.4 | 0 | 0 | 0 | 0 | 111.9 | | |
| 1141 | A | 46.5 | Very low | 43.9 | Very low | 93 Ų | 93 | 129.5 Ų | 129.5 | 77% | 0.769 | 78% | 0.783 | S | S | * | * | | | trans | -88.3 | 163.4 | -172.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 1142 | P | 42.4 | Very low | 43.7 | Very low | 117 Ų | 117 | 130 Ų | 130 | 76% | 0.76 | 79% | 0.788 | S | S | * | * | | | trans | -96 | 174.7 | -164.8 | 37.9 | -37.6 | 0 | 0 | 0 | 116.1 | | |
| 1143 | K | 44.3 | Very low | 43.8 | Very low | 205 Ų | 205 | 128.6 Ų | 128.6 | 89% | 0.891 | 79% | 0.787 | S | S | * | * | | | trans | 96.9 | 136.4 | -175 | -59.8 | 165.2 | -177.9 | 177.9 | 0 | 112.5 | | |
| 1144 | S | 42.7 | Very low | 43.8 | Very low | 105 Ų | 105 | 125.5 Ų | 125.5 | 73% | 0.734 | 78% | 0.784 | S | S | * | * | | | cis | -160.7 | 157.9 | -4.8 | 36.3 | 0 | 0 | 0 | 0 | 111.7 | | |
| 1145 | P | 52.5 | Low | 43.9 | Very low | 119 Ų | 119 | 128 Ų | 128 | 77% | 0.773 | 79% | 0.787 | S | S | * | * | | | trans | -83.2 | -175.2 | 178.7 | 40 | -40.3 | 0 | 0 | 0 | 112.1 | | |
| 1146 | P | 50.9 | Low | 43.3 | Very low | 105 Ų | 105 | 126.1 Ų | 126.1 | 68% | 0.682 | 79% | 0.789 | S | S | * | * | | | cis | -144.7 | -164.3 | 17.6 | 46.2 | -25.6 | 0 | 0 | 0 | 117.9 | | |
| 1147 | E | 44.9 | Very low | 43.3 | Very low | 184 Ų | 184 | 123.6 Ų | 123.6 | 86% | 0.86 | 79% | 0.785 | S | S | * | * | | | trans | 73.4 | 145 | 160.3 | -75.9 | 177.8 | 119.6 | 0 | 0 | 119 | | |
| 1148 | S | 44.6 | Very low | 43.2 | Very low | 115 Ų | 115 | 129.6 Ų | 129.6 | 80% | 0.804 | 79% | 0.79 | S | S | * | * | | | cis | -146.3 | 174.4 | 5.5 | 57.6 | 0 | 0 | 0 | 0 | 115 | | |
| 1149 | K | 49 | Very low | 43.2 | Very low | 195 Ų | 195 | 131.4 Ų | 131.4 | 85% | 0.848 | 80% | 0.797 | S | S | * | * | | | trans | -75.3 | -178.4 | -177.9 | -78.1 | 175.5 | 179.2 | 173.5 | 0 | 114.4 | | |
| 1150 | P | 43.7 | Very low | 43.1 | Very low | 116 Ų | 116 | 131.2 Ų | 131.2 | 75% | 0.753 | 80% | 0.795 | S | S | * | * | | | cis | -143.2 | -172.7 | -38.7 | 39.3 | -20.9 | 0 | 0 | 0 | 115.3 | | |
| 1151 | A | 44.4 | Very low | 43 | Very low | 94 Ų | 94 | 131.9 Ų | 131.9 | 78% | 0.777 | 79% | 0.792 | S | S | * | * | | | trans | 108 | 148.4 | 140.2 | 0 | 0 | 0 | 0 | 0 | 120.8 | | |
| 1152 | P | 46.2 | Very low | 42.4 | Very low | 120 Ų | 120 | 136 Ų | 136 | 78% | 0.779 | 79% | 0.793 | S | S | * | * | | | trans | -127.6 | -150.2 | -172.2 | 48.2 | -30.5 | 0 | 0 | 0 | 111 | | |
| 1153 | P | 48.8 | Very low | 42.1 | Very low | 110 Ų | 110 | 135.9 Ų | 135.9 | 71% | 0.714 | 80% | 0.795 | S | S | * | * | | | cis | -131.9 | -173 | -17.9 | 37.8 | -19 | 0 | 0 | 0 | 115 | | |
| 1154 | S | 39.1 | Very low | 41.8 | Very low | 99 Ų | 99 | 132.8 Ų | 132.8 | 69% | 0.692 | 79% | 0.793 | S | S | * | * | | | trans | 115.7 | 144.9 | 134.8 | 84.4 | 0 | 0 | 0 | 0 | 121 | | |
| 1155 | I | 42.6 | Very low | 41.7 | Very low | 157 Ų | 157 | 135.4 Ų | 135.4 | 81% | 0.805 | 79% | 0.791 | S | S | * | * | | | trans | 71.1 | 97 | 152.5 | -63.9 | 161.4 | 0 | 0 | 0 | 119.7 | | |
| 1156 | S | 33.8 | Very low | 41.2 | Very low | 124 Ų | 124 | 136.2 Ų | 136.2 | 87% | 0.867 | 79% | 0.794 | S | S | * | * | | | | 52.1 | 117.9 | 125.3 | -169.7 | 0 | 0 | 0 | 0 | 121.8 | | |
| 1157 | G | 41.2 | Very low | 40.6 | Very low | 71 Ų | 71 | 136.9 Ų | 136.9 | 73% | 0.732 | 79% | 0.788 | S | S | * | * | | | trans | 176.4 | 75 | 162.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | V1159 | G1157-V1159 PolarHBondContact O-N 2.97Š|
| 1158 | Y | 34.7 | Very low | 40.4 | Very low | 248 Ų | 248 | 135 Ų | 135 | 97% | 0.973 | 79% | 0.788 | S | S | * | * | | | trans | -81.8 | 101.2 | 176.4 | -113.9 | -84.6 | 0 | 0 | 0 | 111.9 | | |
| 1159 | V | 40.5 | Very low | 40.2 | Very low | 144 Ų | 144 | 136.8 Ų | 136.8 | 87% | 0.873 | 78% | 0.782 | S | S | * | * | | | trans | -140 | 146.5 | 165.1 | -169.8 | 0 | 0 | 0 | 0 | 109.5 | G1157 | G1157-V1159 PolarHBondContact O-N 2.97Š|
| 1160 | A | 32.1 | Very low | 39.4 | Very low | 83 Ų | 83 | 134.4 Ų | 134.4 | 69% | 0.686 | 78% | 0.778 | S | S | * | * | | | trans | -85.2 | 138.9 | -163 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 1161 | L | 37.6 | Very low | 39 | Very low | 166 Ų | 166 | 137.3 Ų | 137.3 | 87% | 0.869 | 78% | 0.781 | S | S | * | * | | | trans | -119.7 | 115.6 | 154.2 | -58.2 | 173.5 | 0 | 0 | 0 | 105.5 | | |
| 1162 | K | 34.5 | Very low | 38.5 | Very low | 179 Ų | 179 | 140.7 Ų | 140.7 | 78% | 0.778 | 78% | 0.781 | S | S | * | * | | | | 69.8 | 113.7 | 55.8 | -67 | -167.5 | 174.8 | -178.3 | 0 | 114.3 | | |
| 1163 | S | 35 | Very low | 38.5 | Very low | 114 Ų | 114 | 140.3 Ų | 140.3 | 80% | 0.797 | 78% | 0.778 | S | S | * | * | | | trans | 69.9 | 118.2 | 152.8 | -54.6 | 0 | 0 | 0 | 0 | 119.4 | | |
| 1164 | T | 40.1 | Very low | 38 | Very low | 140 Ų | 140 | 142.1 Ų | 142.1 | 86% | 0.859 | 78% | 0.777 | S | S | * | * | | | | -144.2 | 131.2 | 118.3 | -78.1 | 0 | 0 | 0 | 0 | 109 | V1166 | T1164-V1166 HydrophobicContact CG2-CG2 4.45Š|
| 1165 | K | 39.2 | Very low | 37.8 | Very low | 160 Ų | 160 | 141.9 Ų | 141.9 | 70% | 0.696 | 77% | 0.772 | S | S | * | * | | | trans | -116 | 134.5 | 179.6 | 169.3 | -167 | 168.1 | -162.2 | 0 | 106.7 | E1167 | K1165-E1167 WeakPolarHBondContact CE-OE2 3.46Å; K1165-E1167 IonicContact NZ-OE2 3.88Å; K1165-E1167 PolarHBondContact NZ-OE2 2.94Å |
| 1166 | V | 43.2 | Very low | 37.5 | Very low | 136 Ų | 136 | 140.8 Ų | 140.8 | 82% | 0.824 | 76% | 0.761 | S | S | * | * | | | trans | -121 | 141.7 | 168.2 | -179.5 | 0 | 0 | 0 | 0 | 107.9 | T1164 | T1164-V1166 HydrophobicContact CG2-CG2 4.45Š|
| 1167 | E | 36.5 | Very low | 37.9 | Very low | 120 Ų | 120 | 140.8 Ų | 140.8 | 56% | 0.561 | 76% | 0.758 | S | S | * | * | | | trans | -134.1 | 114.8 | -160.6 | 179.2 | -177.8 | 119.5 | 0 | 0 | 111.4 | K1165 | K1165-E1167 WeakPolarHBondContact CE-OE2 3.46Å; K1165-E1167 IonicContact NZ-OE2 3.88Å; K1165-E1167 PolarHBondContact NZ-OE2 2.94Å |
| 1168 | V | 41.9 | Very low | 37.7 | Very low | 143 Ų | 143 | 143.3 Ų | 143.3 | 87% | 0.867 | 76% | 0.759 | S | S | * | * | | | trans | -147.2 | 133 | 164.3 | -171.5 | 0 | 0 | 0 | 0 | 107.4 | | |
| 1169 | K | 39.6 | Very low | 37.6 | Very low | 154 Ų | 154 | 136.2 Ų | 136.2 | 67% | 0.67 | 75% | 0.746 | S | S | * | * | | | cis | 162.7 | 106.3 | -39.1 | 172.5 | 171.5 | -179.4 | 171.2 | 0 | 105.8 | | |
| 1170 | L | 33.9 | Very low | 37.1 | Very low | 145 Ų | 145 | 136.2 Ų | 136.2 | 76% | 0.759 | 74% | 0.74 | S | S | * | * | | | trans | 61.2 | 116.1 | 164.8 | -56.8 | 167.7 | 0 | 0 | 0 | 117.9 | | |
| 1171 | Q | 33.9 | Very low | 37.3 | Very low | 176 Ų | 176 | 138.7 Ų | 138.7 | 82% | 0.822 | 74% | 0.737 | S | S | * | * | | | | 179.5 | 120.5 | 94.1 | -165.7 | 71.3 | 20.9 | 0 | 0 | 110.1 | | |
| 1172 | E | 34.7 | Very low | 37 | Very low | 166 Ų | 166 | 137.6 Ų | 137.6 | 78% | 0.776 | 74% | 0.738 | S | S | * | * | | | trans | -129.1 | 136.7 | 175.9 | -177.4 | -176.9 | 165.7 | 0 | 0 | 109.6 | | |
| 1173 | P | 46.2 | Very low | 37 | Very low | 111 Ų | 111 | 137.4 Ų | 137.4 | 72% | 0.721 | 74% | 0.737 | S | S | * | * | | | trans | -96.1 | 140.3 | 174.3 | 34.7 | -30.7 | 0 | 0 | 0 | 113.7 | | |
| 1174 | E | 38 | Very low | 36.9 | Very low | 148 Ų | 148 | 139.6 Ų | 139.6 | 69% | 0.692 | 74% | 0.738 | S | S | * | * | | | trans | -55 | 142.8 | 175.7 | -72 | -151.8 | 126 | 0 | 0 | 113.9 | K1176 | E1174-K1176 IonicContact OE1-NZ 2.67Å; E1174-K1176 PolarHBondContact OE1-NZ 3.48Å; E1174-K1176 IonicContact OE2-NZ 3.35Å; E1174-K1176 PolarHBondContact OE2-NZ 3.16Å |
| 1175 | T | 34.7 | Very low | 36.8 | Very low | 95 Ų | 95 | 141.7 Ų | 141.7 | 58% | 0.583 | 74% | 0.736 | S | S | * | * | | | cis | 83.9 | 149 | 45.3 | 78.5 | 0 | 0 | 0 | 0 | 116.9 | | |
| 1176 | K | 36.5 | Very low | 36.7 | Very low | 133 Ų | 133 | 139.6 Ų | 139.6 | 58% | 0.578 | 74% | 0.738 | S | S | * | * | | | trans | 82.1 | 153.4 | 178.6 | -53.3 | 135.4 | -162 | 172.5 | 0 | 114.5 | E1174 V1178 | E1174-K1176 IonicContact OE1-NZ 2.67Å; E1174-K1176 PolarHBondContact OE1-NZ 3.48Å; E1174-K1176 IonicContact OE2-NZ 3.35Å; E1174-K1176 PolarHBondContact OE2-NZ 3.16Å; K1176-V1178 HydrophobicContact CB-CG2 4.15Å; K1176-V1178 HydrophobicContact CG-CG2 4.12Å |
| 1177 | P | 42.2 | Very low | 36.5 | Very low | 125 Ų | 125 | 138.7 Ų | 138.7 | 81% | 0.812 | 73% | 0.734 | S | S | * | * | | | cis | -81.2 | 153.4 | 4 | -1.4 | 21.5 | 0 | 0 | 0 | 112.7 | | |
| 1178 | V | 37.3 | Very low | 36.6 | Very low | 123 Ų | 123 | 138 Ų | 138 | 75% | 0.745 | 74% | 0.737 | S | S | * | * | | | cis | 81 | 123.9 | 38.4 | -179.7 | 0 | 0 | 0 | 0 | 113.6 | K1176 | K1176-V1178 HydrophobicContact CB-CG2 4.15Å; K1176-V1178 HydrophobicContact CG-CG2 4.12Å |
| 1179 | S | 31.5 | Very low | 36.4 | Very low | 99 Ų | 99 | 139.7 Ų | 139.7 | 69% | 0.692 | 74% | 0.736 | S | S | * | * | | | trans | -61.9 | 166.2 | 179 | -40.6 | 0 | 0 | 0 | 0 | 113.8 | | |
| 1180 | L | 30.9 | Very low | 36.5 | Very low | 144 Ų | 144 | 138 Ų | 138 | 75% | 0.754 | 74% | 0.74 | S | S | * | * | | | | 172 | 147.3 | 111.1 | -89.1 | 170.9 | 0 | 0 | 0 | 113.5 | | |
| 1181 | Q | 35.2 | Very low | 36.3 | Very low | 135 Ų | 135 | 135.5 Ų | 135.5 | 63% | 0.631 | 74% | 0.741 | S | S | * | * | | | trans | 56.9 | 98.5 | 149.4 | -65.9 | 172.1 | 29.7 | 0 | 0 | 119.5 | K1183 | Q1181-K1183 PolarHBondContact O-N 3.4Š|
| 1182 | V | 32.5 | Very low | 36.6 | Very low | 144 Ų | 144 | 133.5 Ų | 133.5 | 87% | 0.873 | 74% | 0.741 | S | S | * | * | | | trans | -53.6 | 124.6 | 139.5 | 176.1 | 0 | 0 | 0 | 0 | 108.2 | | |
| 1183 | K | 33.9 | Very low | 37.1 | Very low | 175 Ų | 175 | 131.4 Ų | 131.4 | 76% | 0.761 | 74% | 0.74 | S | S | * | * | | | trans | -133.4 | 99.6 | 174.5 | -164.5 | 148.3 | -171.8 | 166.8 | 0 | 111.6 | Q1181 | Q1181-K1183 PolarHBondContact O-N 3.4Š|
| 1184 | L | 33.4 | Very low | 36.8 | Very low | 159 Ų | 159 | 132.3 Ų | 132.3 | 83% | 0.832 | 75% | 0.745 | S | S | * | * | | | trans | -58.4 | 134.3 | 170.3 | -62 | 168.9 | 0 | 0 | 0 | 109.9 | | |
| 1185 | K | 37.8 | Very low | 37.1 | Very low | 184 Ų | 184 | 130.6 Ų | 130.6 | 80% | 0.8 | 75% | 0.75 | S | S | * | * | | | trans | -149.2 | 103 | 161.3 | -165.2 | 167.7 | -175.7 | 179.5 | 0 | 110.7 | | |
| 1186 | P | 36.4 | Very low | 37.9 | Very low | 116 Ų | 116 | 131.2 Ų | 131.2 | 75% | 0.753 | 76% | 0.755 | S | S | * | * | | | trans | -82.1 | 138 | 175.9 | 32.8 | -32.2 | 0 | 0 | 0 | 110.8 | | |
| 1187 | T | 39.2 | Very low | 38.7 | Very low | 118 Ų | 118 | 130.5 Ų | 130.5 | 72% | 0.724 | 76% | 0.764 | S | S | * | * | | | trans | -153.3 | 78.3 | 167.3 | -54.1 | 0 | 0 | 0 | 0 | 111 | | |
| 1188 | V | 39 | Very low | 39.3 | Very low | 106 Ų | 106 | 130.1 Ų | 130.1 | 64% | 0.642 | 76% | 0.762 | S | S | * | * | | | | 40.8 | 113 | 123.5 | -174.3 | 0 | 0 | 0 | 0 | 118.9 | | |
| 1189 | Q | 38.3 | Very low | 40.1 | Very low | 177 Ų | 177 | 129.9 Ų | 129.9 | 83% | 0.827 | 76% | 0.763 | S | S | * | * | | | trans | 70.8 | 158.3 | 147.1 | -70.8 | 170.6 | 8.4 | 0 | 0 | 120.9 | | |
| 1190 | P | 41.4 | Very low | 41.4 | Very low | 118 Ų | 118 | 130.8 Ų | 130.8 | 77% | 0.766 | 77% | 0.766 | S | S | * | * | | | cis | -131 | 177.7 | -27.7 | 34 | -15.8 | 0 | 0 | 0 | 114.7 | | |
| 1191 | A | 29.9 | Very low | 42.5 | Very low | 93 Ų | 93 | 130 Ų | 130 | 77% | 0.769 | 77% | 0.77 | S | S | * | * | | | trans | -44.6 | 146.2 | -175.5 | 0 | 0 | 0 | 0 | 0 | 119.1 | | |
| 1192 | T | 40.5 | Very low | 42.9 | Very low | 134 Ų | 134 | 128 Ų | 128 | 82% | 0.822 | 78% | 0.776 | S | S | * | * | | | trans | -155.9 | 114.8 | 138.7 | -1.7 | 0 | 0 | 0 | 0 | 112.2 | | |
| 1193 | T | 44.2 | Very low | 43 | Very low | 123 Ų | 123 | 129.3 Ų | 129.3 | 76% | 0.755 | 78% | 0.778 | S | S | * | * | | | trans | 19.3 | 120.7 | 153.4 | 53.7 | 0 | 0 | 0 | 0 | 120.7 | | |
| 1194 | P | 40.1 | Very low | 43.4 | Very low | 130 Ų | 130 | 129.9 Ų | 129.9 | 84% | 0.844 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -75.4 | 140.3 | 165.2 | 32.4 | -33.4 | 0 | 0 | 0 | 112 | | |
| 1195 | S | 44.3 | Very low | 43.6 | Very low | 112 Ų | 112 | 128.1 Ų | 128.1 | 78% | 0.783 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -88.6 | 136.7 | 172.4 | -172 | 0 | 0 | 0 | 0 | 111.1 | | |
| 1196 | P | 51.9 | Low | 43.4 | Very low | 108 Ų | 108 | 125.3 Ų | 125.3 | 70% | 0.701 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -75.8 | 146.6 | -178 | 30.9 | -35.2 | 0 | 0 | 0 | 112.8 | | |
| 1197 | P | 53.9 | Low | 43.4 | Very low | 117 Ų | 117 | 128.6 Ų | 128.6 | 76% | 0.76 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 152 | 170.9 | 29.7 | -34.4 | 0 | 0 | 0 | 111.8 | | |
| 1198 | P | 53.9 | Low | 43.1 | Very low | 118 Ų | 118 | 129.7 Ų | 129.7 | 77% | 0.766 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -73.7 | 153.8 | -171.2 | 30 | -36.3 | 0 | 0 | 0 | 113.7 | | |
| 1199 | P | 53.1 | Low | 42.8 | Very low | 117 Ų | 117 | 132.7 Ų | 132.7 | 76% | 0.76 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 149.9 | 178.7 | 30.2 | -35.6 | 0 | 0 | 0 | 112.4 | | |
| 1200 | P | 58.9 | Low | 42.5 | Very low | 118 Ų | 118 | 128.2 Ų | 128.2 | 77% | 0.766 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 145.4 | 173.3 | 28.6 | -34.5 | 0 | 0 | 0 | 111.3 | | |
| 1201 | P | 55.8 | Low | 42.1 | Very low | 127 Ų | 127 | 125.8 Ų | 125.8 | 83% | 0.825 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 137.5 | -173.7 | 27.9 | -35 | 0 | 0 | 0 | 112.5 | | |
| 1202 | A | 42.4 | Very low | 42.4 | Very low | 93 Ų | 93 | 134 Ų | 134 | 77% | 0.769 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 139.9 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q1204 | A1202-Q1204 PolarHBondContact O-N 2.92Š|
| 1203 | L | 35.1 | Very low | 42.4 | Very low | 173 Ų | 173 | 132.7 Ų | 132.7 | 91% | 0.906 | 81% | 0.806 | S | S | * | * | | | trans | -68.5 | 112.9 | 172.2 | -64.6 | 172.5 | 0 | 0 | 0 | 109.9 | | |
| 1204 | Q | 41.2 | Very low | 42.3 | Very low | 187 Ų | 187 | 129.5 Ų | 129.5 | 87% | 0.874 | 80% | 0.797 | S | S | * | * | | | trans | -89.1 | 133.9 | 167.2 | -69.2 | -156.5 | -4.5 | 0 | 0 | 111 | A1202 | A1202-Q1204 PolarHBondContact O-N 2.92Š|
| 1205 | P | 38.2 | Very low | 42.7 | Very low | 122 Ų | 122 | 129.9 Ų | 129.9 | 79% | 0.792 | 80% | 0.799 | S | S | * | * | | | trans | -83.9 | 143.2 | 177.8 | 33.7 | -33.8 | 0 | 0 | 0 | 111.1 | | |
| 1206 | V | 34.4 | Very low | 43.1 | Very low | 124 Ų | 124 | 130.9 Ų | 130.9 | 75% | 0.752 | 80% | 0.801 | S | S | * | * | | | trans | -156 | 127.1 | 156.8 | 117.8 | 0 | 0 | 0 | 0 | 113.6 | | |
| 1207 | K | 35.9 | Very low | 43.6 | Very low | 186 Ų | 186 | 129.6 Ų | 129.6 | 81% | 0.809 | 80% | 0.8 | S | S | * | * | | | trans | 51.3 | 95.8 | 152.6 | -63.7 | 165.2 | -174.3 | 176.7 | 0 | 118.6 | | |
| 1208 | T | 32.2 | Very low | 44.3 | Very low | 141 Ų | 141 | 127.9 Ų | 127.9 | 87% | 0.865 | 79% | 0.788 | S | S | * | * | | | trans | -46.8 | 136.6 | 142.8 | 48.7 | 0 | 0 | 0 | 0 | 112.2 | | |
| 1209 | N | 33.5 | Very low | 45.7 | Very low | 169 Ų | 169 | 126.2 Ų | 126.2 | 90% | 0.904 | 77% | 0.773 | S | S | * | * | | | trans | -146.9 | 155.1 | 151.3 | -122.6 | -18.8 | 0 | 0 | 0 | 109.7 | | |
| 1210 | G | 31 | Very low | 47.3 | Very low | 83 Ų | 83 | 125.3 Ų | 125.3 | 86% | 0.856 | 77% | 0.767 | S | S | * | * | | | trans | -69.6 | 132.2 | -157.4 | 0 | 0 | 0 | 0 | 0 | 116.5 | | |
| 1211 | G | 34.2 | Very low | 48.7 | Very low | 66 Ų | 66 | 128.1 Ų | 128.1 | 68% | 0.68 | 76% | 0.762 | S | S | * | * | | | trans | -161 | 89.8 | 170.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | S1213 | G1211-S1213 VanDerWaalsContact C-N 3.33Å; G1211-S1213 PolarHBondContact O-N 3.48Å |
| 1212 | R | 36.1 | Very low | 50.2 | Low | 265 Ų | 265 | 124.1 Ų | 124.1 | 100% | 1 | 74% | 0.738 | S | S | * | * | | | trans | -83.5 | 66.2 | -167.4 | -166.4 | -171.8 | 179.3 | -167.5 | 1 | 113 | | |
| 1213 | S | 39.2 | Very low | 52.4 | Low | 108 Ų | 108 | 125.3 Ų | 125.3 | 76% | 0.755 | 73% | 0.727 | S | S | * | * | | | trans | -125.3 | 102.9 | 170.5 | 55.6 | 0 | 0 | 0 | 0 | 110.7 | G1211 | G1211-S1213 VanDerWaalsContact C-N 3.33Å; G1211-S1213 PolarHBondContact O-N 3.48Å |
| 1214 | G | 42.9 | Very low | 55 | Low | 56 Ų | 56 | 122 Ų | 122 | 58% | 0.577 | 71% | 0.71 | S | S | * | * | | | trans | -68.2 | 166.4 | 168.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | T1216 | G1214-T1216 PolarHBondContact O-N 2.79Š|
| 1215 | P | 48.3 | Very low | 57.4 | Low | 137 Ų | 137 | 117.1 Ų | 117.1 | 89% | 0.89 | 69% | 0.69 | S | S | * | * | | | trans | -70.6 | 90.9 | -179.4 | 29.7 | -34.7 | 0 | 0 | 0 | 110.6 | A1217 | P1215-A1217 PolarHBondContact O-N 2.89Š|
| 1216 | T | 53.5 | Low | 59.7 | Low | 133 Ų | 133 | 114.1 Ų | 114.1 | 82% | 0.816 | 67% | 0.667 | S | S | * | * | P | Polyproline II helix | trans | -55.9 | 123.9 | 166.1 | -50.3 | 0 | 0 | 0 | 0 | 108 | G1214 | G1214-T1216 PolarHBondContact O-N 2.79Š|
| 1217 | A | 61.7 | Low | 62.1 | Low | 81 Ų | 81 | 111 Ų | 111 | 67% | 0.669 | 65% | 0.654 | S | S | * | * | P | Polyproline II helix | trans | -55 | 134.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 109 | P1215 D1219 | P1215-A1217 PolarHBondContact O-N 2.89Å; A1217-D1219 PolarHBondContact O-N 3.13Å |
| 1218 | P | 69.7 | Low | 64.5 | Low | 81 Ų | 81 | 107.3 Ų | 107.3 | 53% | 0.526 | 64% | 0.642 | S | S | . | * | P | Polyproline II helix | trans | -58.2 | 132.7 | -177.2 | 24.3 | -33.6 | 0 | 0 | 0 | 109.4 | | |
| 1219 | D | 83.2 | Confident | 67.1 | Low | 84 Ų | 84 | 109.5 Ų | 109.5 | 45% | 0.449 | 64% | 0.635 | S | S | . | * | P | Polyproline II helix | trans | -52.5 | 127 | 175.9 | 174.6 | -2.4 | 0 | 0 | 0 | 108 | A1217 R1221 S1222 Q1223 | A1217-D1219 PolarHBondContact O-N 3.13Å; D1219-R1221 PolarHBondContact O-N 3.29Å; D1219-R1221 WeakPolarHBondContact OD1-CB 3.33Å; D1219-R1221 PolarHBondContact OD1-N 3.34Å; D1219-S1222 PolarHBondContact N-OG 2.95Å; D1219-S1222 WeakPolarHBondContact O-CA 3.37Å; D1219-S1222 PolarHBondContact O-N 3.08Å; D1219-S1222 PolarHBondContact O-OG 2.84Å; D1219-Q1223 PolarHBondContact O-N 2.89Å |
| 1220 | P | 86.7 | Confident | 69.6 | Low | 97 Ų | 97 | 107.2 Ų | 107.2 | 63% | 0.63 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -54.4 | -24.6 | 176.4 | 21.9 | -33.9 | 0 | 0 | 0 | 112.5 | L1224 | P1220-L1224 VanDerWaalsContact O-CB 3.22Å; P1220-L1224 WeakPolarHBondContact O-CB 3.26Å; P1220-L1224 PolarHBondContact O-N 2.86Å |
| 1221 | R | 86.7 | Confident | 72.1 | Confident | 177 Ų | 177 | 109.8 Ų | 109.8 | 67% | 0.668 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -71.4 | -41.6 | 170.1 | -173.2 | -173 | 176.1 | -152.8 | -1.8 | 112.9 | D1219 L1224 L1225 | D1219-R1221 PolarHBondContact O-N 3.29Å; D1219-R1221 WeakPolarHBondContact OD1-CB 3.33Å; D1219-R1221 PolarHBondContact OD1-N 3.34Å; R1221-L1224 PolarHBondContact O-N 3.12Å; R1221-L1225 HydrophobicContact CG-CD1 4.33Å; R1221-L1225 WeakPolarHBondContact O-CB 3.48Å; R1221-L1225 VanDerWaalsContact O-CG 3.25Å; R1221-L1225 WeakPolarHBondContact O-CG 3.44Å; R1221-L1225 PolarHBondContact O-N 3.47Å |
| 1222 | S | 89 | Confident | 74.4 | Confident | 44 Ų | 44 | 112.2 Ų | 112.2 | 31% | 0.308 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -69.8 | -40.7 | 175.2 | 74.4 | 0 | 0 | 0 | 0 | 110.8 | D1219 L1224 L1225 D1226 | D1219-S1222 PolarHBondContact N-OG 2.95Å; D1219-S1222 WeakPolarHBondContact O-CA 3.37Å; D1219-S1222 PolarHBondContact O-N 3.08Å; D1219-S1222 PolarHBondContact O-OG 2.84Å; S1222-L1224 VanDerWaalsContact C-N 3.31Å; S1222-L1224 PolarHBondContact O-N 3.48Å; S1222-L1225 CarbonylContact O-C 3.58Å; S1222-L1225 PolarHBondContact O-N 2.87Å; S1222-L1225 VanDerWaalsContact O-N 3.13Å; S1222-D1226 WeakPolarHBondContact O-CB 3.24Å; S1222-D1226 VanDerWaalsContact O-CG 3.29Å; S1222-D1226 PolarHBondContact O-N 2.9Å |
| 1223 | Q | 88.2 | Confident | 76.1 | Confident | 118 Ų | 118 | 109 Ų | 109 | 55% | 0.551 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -61.4 | -37.8 | 174.4 | -171.2 | 172.6 | 61.1 | 0 | 0 | 112.1 | D1219 A1227 | D1219-Q1223 PolarHBondContact O-N 2.89Å; Q1223-A1227 WeakPolarHBondContact O-CB 3.42Å; Q1223-A1227 PolarHBondContact O-N 3.16Å |
| 1224 | L | 90.1 | Very high | 77.5 | Confident | 102 Ų | 102 | 108.5 Ų | 108.5 | 53% | 0.534 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -67.7 | -42 | 171.5 | 177.9 | 60.8 | 0 | 0 | 0 | 112.3 | P1220 R1221 S1222 D1226 A1227 I1228 | P1220-L1224 VanDerWaalsContact O-CB 3.22Å; P1220-L1224 WeakPolarHBondContact O-CB 3.26Å; P1220-L1224 PolarHBondContact O-N 2.86Å; R1221-L1224 PolarHBondContact O-N 3.12Å; S1222-L1224 VanDerWaalsContact C-N 3.31Å; S1222-L1224 PolarHBondContact O-N 3.48Å; L1224-D1226 VanDerWaalsContact C-N 3.31Å; L1224-D1226 PolarHBondContact O-N 2.77Å; L1224-A1227 PolarHBondContact O-N 3.31Å; L1224-I1228 HydrophobicContact CD1-CD1 3.94Å; L1224-I1228 HydrophobicContact CD1-CG1 4.25Å; L1224-I1228 HydrophobicContact CG-CD1 3.89Å; L1224-I1228 WeakPolarHBondContact O-CB 3.46Å; L1224-I1228 VanDerWaalsContact O-CG1 3.25Å; L1224-I1228 WeakPolarHBondContact O-CG1 3.21Å; L1224-I1228 PolarHBondContact O-N 3.25Å |
| 1225 | L | 90 | Very high | 79 | Confident | 86 Ų | 86 | 110.1 Ų | 110.1 | 45% | 0.45 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -66 | -33.2 | 176 | -72.4 | 168.6 | 0 | 0 | 0 | 112.2 | R1221 S1222 R1229 | R1221-L1225 HydrophobicContact CG-CD1 4.33Å; R1221-L1225 WeakPolarHBondContact O-CB 3.48Å; R1221-L1225 VanDerWaalsContact O-CG 3.25Å; R1221-L1225 WeakPolarHBondContact O-CG 3.44Å; R1221-L1225 PolarHBondContact O-N 3.47Å; S1222-L1225 CarbonylContact O-C 3.58Å; S1222-L1225 PolarHBondContact O-N 2.87Å; S1222-L1225 VanDerWaalsContact O-N 3.13Å; L1225-R1229 WeakPolarHBondContact O-CB 3.3Å; L1225-R1229 VanDerWaalsContact O-CG 3.26Å; L1225-R1229 WeakPolarHBondContact O-CG 3.23Å; L1225-R1229 PolarHBondContact O-N 2.88Å |
| 1226 | D | 86.8 | Confident | 79.8 | Confident | 59 Ų | 59 | 108.8 Ų | 108.8 | 32% | 0.316 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -70.7 | -43.2 | 172.4 | -69.5 | -25.2 | 0 | 0 | 0 | 111.5 | S1222 L1224 I1228 R1229 N1230 | S1222-D1226 WeakPolarHBondContact O-CB 3.24Å; S1222-D1226 VanDerWaalsContact O-CG 3.29Å; S1222-D1226 PolarHBondContact O-N 2.9Å; L1224-D1226 VanDerWaalsContact C-N 3.31Å; L1224-D1226 PolarHBondContact O-N 2.77Å; D1226-I1228 VanDerWaalsContact C-N 3.3Å; D1226-I1228 PolarHBondContact O-N 2.87Å; D1226-R1229 PolarHBondContact O-N 3.29Å; D1226-R1229 IonicContact OD1-CZ 3.44Å; D1226-R1229 IonicContact OD1-NE 3.53Å; D1226-R1229 IonicContact OD1-NH2 2.68Å; D1226-R1229 PolarHBondContact OD1-NH2 3.03Å; D1226-N1230 VanDerWaalsContact O-CB 3.24Å; D1226-N1230 WeakPolarHBondContact O-CB 3.28Å; D1226-N1230 VanDerWaalsContact O-CG 3.23Å; D1226-N1230 PolarHBondContact O-N 3.46Å; D1226-N1230 PolarHBondContact O-ND2 2.75Å; D1226-N1230 VanDerWaalsContact O-ND2 3.12Å |
| 1227 | A | 85.9 | Confident | 80.5 | Confident | 59 Ų | 59 | 108.8 Ų | 108.8 | 49% | 0.488 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -59.3 | -40.7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q1223 L1224 F1231 | Q1223-A1227 WeakPolarHBondContact O-CB 3.42Å; Q1223-A1227 PolarHBondContact O-N 3.16Å; L1224-A1227 PolarHBondContact O-N 3.31Å; A1227-F1231 WeakPolarHBondContact O-CB 3.38Å; A1227-F1231 PolarHBondContact O-N 3.2Å |
| 1228 | I | 85.2 | Confident | 80.8 | Confident | 107 Ų | 107 | 115.5 Ų | 115.5 | 55% | 0.549 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -69.6 | -41.7 | 176.1 | -69.2 | 165.7 | 0 | 0 | 0 | 111.7 | L1224 D1226 N1230 F1231 | L1224-I1228 HydrophobicContact CD1-CD1 3.94Å; L1224-I1228 HydrophobicContact CD1-CG1 4.25Å; L1224-I1228 HydrophobicContact CG-CD1 3.89Å; L1224-I1228 WeakPolarHBondContact O-CB 3.46Å; L1224-I1228 VanDerWaalsContact O-CG1 3.25Å; L1224-I1228 WeakPolarHBondContact O-CG1 3.21Å; L1224-I1228 PolarHBondContact O-N 3.25Å; D1226-I1228 VanDerWaalsContact C-N 3.3Å; D1226-I1228 PolarHBondContact O-N 2.87Å; I1228-N1230 VanDerWaalsContact C-N 3.33Å; I1228-F1231 PolarHBondContact O-N 3.48Å |
| 1229 | R | 88.1 | Confident | 79.7 | Confident | 188 Ų | 188 | 119.2 Ų | 119.2 | 71% | 0.709 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -66.7 | -33.9 | 177.1 | -78.6 | -170.1 | -68.1 | -178.2 | -2.8 | 112.9 | L1225 D1226 | L1225-R1229 WeakPolarHBondContact O-CB 3.3Å; L1225-R1229 VanDerWaalsContact O-CG 3.26Å; L1225-R1229 WeakPolarHBondContact O-CG 3.23Å; L1225-R1229 PolarHBondContact O-N 2.88Å; D1226-R1229 PolarHBondContact O-N 3.29Å; D1226-R1229 IonicContact OD1-CZ 3.44Å; D1226-R1229 IonicContact OD1-NE 3.53Å; D1226-R1229 IonicContact OD1-NH2 2.68Å; D1226-R1229 PolarHBondContact OD1-NH2 3.03Å |
| 1230 | N | 85.4 | Confident | 79.6 | Confident | 121 Ų | 121 | 121 Ų | 121 | 65% | 0.647 | 59% | 0.594 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.6 | -0.3 | -179.9 | -62.7 | -32.2 | 0 | 0 | 0 | 113.2 | D1226 I1228 K1232 | D1226-N1230 VanDerWaalsContact O-CB 3.24Å; D1226-N1230 WeakPolarHBondContact O-CB 3.28Å; D1226-N1230 VanDerWaalsContact O-CG 3.23Å; D1226-N1230 PolarHBondContact O-N 3.46Å; D1226-N1230 PolarHBondContact O-ND2 2.75Å; D1226-N1230 VanDerWaalsContact O-ND2 3.12Å; I1228-N1230 VanDerWaalsContact C-N 3.33Å; N1230-K1232 PolarHBondContact O-N 2.86Å |
| 1231 | F | 82.9 | Confident | 79.2 | Confident | 136 Ų | 136 | 122.3 Ų | 122.3 | 60% | 0.596 | 59% | 0.592 | S | S | * | * | | | trans | -70.7 | 95.7 | -179.7 | -167.7 | -94.9 | 0 | 0 | 0 | 111 | A1227 I1228 L1236 | A1227-F1231 WeakPolarHBondContact O-CB 3.38Å; A1227-F1231 PolarHBondContact O-N 3.2Å; I1228-F1231 PolarHBondContact O-N 3.48Å; F1231-L1236 HydrophobicContact CZ-CD1 4.34Å |
| 1232 | K | 82.8 | Confident | 78.8 | Confident | 118 Ų | 118 | 119.2 Ų | 119.2 | 51% | 0.513 | 59% | 0.588 | S | S | . | * | | | trans | -76.2 | 137.8 | 179.1 | -83.1 | 170.8 | 156 | -88.5 | 0 | 111 | N1230 E1234 D1235 | N1230-K1232 PolarHBondContact O-N 2.86Å; K1232-E1234 HydrophobicContact CB-CG 4.01Å; K1232-E1234 WeakPolarHBondContact CG-OE1 3.19Å; K1232-E1234 IonicContact NZ-OE1 2.64Å; K1232-E1234 PolarHBondContact NZ-OE1 2.86Å; K1232-E1234 PolarHBondContact O-N 2.64Å; K1232-D1235 WeakPolarHBondContact CB-OD2 3.48Å; K1232-D1235 PolarHBondContact O-N 3.35Å |
| 1233 | R | 71.5 | Confident | 78.2 | Confident | 198 Ų | 198 | 123.6 Ų | 123.6 | 75% | 0.747 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67 | -29.5 | -179.8 | -171 | 174.9 | -64.7 | 151.6 | 4.5 | 111.6 | D1235 L1236 | R1233-D1235 VanDerWaalsContact C-N 3.3Å; R1233-D1235 PolarHBondContact O-N 3.25Å; R1233-L1236 VanDerWaalsContact O-CB 3.29Å; R1233-L1236 WeakPolarHBondContact O-CB 3.13Å; R1233-L1236 PolarHBondContact O-N 3.48Å |
| 1234 | E | 69.9 | Low | 77.5 | Confident | 97 Ų | 97 | 124 Ų | 124 | 45% | 0.453 | 61% | 0.607 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -70.1 | -19.1 | 177.2 | 48.5 | -83.8 | -163.2 | 0 | 0 | 114.1 | K1232 N1237 | K1232-E1234 HydrophobicContact CB-CG 4.01Å; K1232-E1234 WeakPolarHBondContact CG-OE1 3.19Å; K1232-E1234 IonicContact NZ-OE1 2.64Å; K1232-E1234 PolarHBondContact NZ-OE1 2.86Å; K1232-E1234 PolarHBondContact O-N 2.64Å; E1234-N1237 PolarHBondContact O-N 2.98Å |
| 1235 | D | 74 | Confident | 76.7 | Confident | 89 Ų | 89 | 125.5 Ų | 125.5 | 48% | 0.476 | 61% | 0.612 | S | S | . | * | G | 310 helix | trans | -72.9 | -31.9 | 170.1 | -63.9 | -36.5 | 0 | 0 | 0 | 111.6 | K1232 R1233 N1237 R1238 | K1232-D1235 WeakPolarHBondContact CB-OD2 3.48Å; K1232-D1235 PolarHBondContact O-N 3.35Å; R1233-D1235 VanDerWaalsContact C-N 3.3Å; R1233-D1235 PolarHBondContact O-N 3.25Å; D1235-N1237 PolarHBondContact O-N 3.26Å; D1235-R1238 PolarHBondContact O-N 2.83Å; D1235-R1238 VanDerWaalsContact O-N 3.17Å |
| 1236 | L | 65.4 | Low | 75.8 | Confident | 109 Ų | 109 | 128.3 Ų | 128.3 | 57% | 0.571 | 62% | 0.624 | S | S | * | * | G | 310 helix | trans | -67.7 | -14.8 | 175.3 | -163.1 | 71.6 | 0 | 0 | 0 | 113 | F1231 R1233 | F1231-L1236 HydrophobicContact CZ-CD1 4.34Å; R1233-L1236 VanDerWaalsContact O-CB 3.29Å; R1233-L1236 WeakPolarHBondContact O-CB 3.13Å; R1233-L1236 PolarHBondContact O-N 3.48Å |
| 1237 | N | 68.2 | Low | 74.9 | Confident | 133 Ų | 133 | 133.6 Ų | 133.6 | 71% | 0.711 | 65% | 0.647 | S | S | * | * | G | 310 helix | trans | -99.6 | 7.1 | 177.5 | -64.9 | -19 | 0 | 0 | 0 | 112.7 | E1234 D1235 | E1234-N1237 PolarHBondContact O-N 2.98Å; D1235-N1237 PolarHBondContact O-N 3.26Å |
| 1238 | R | 67.3 | Low | 74 | Confident | 222 Ų | 222 | 139.8 Ų | 139.8 | 84% | 0.838 | 66% | 0.661 | S | S | * | * | | | trans | -119.2 | 0.8 | -176.1 | -91.6 | -179.2 | 163.6 | -91.2 | 1.2 | 114.4 | D1235 | D1235-R1238 PolarHBondContact O-N 2.83Å; D1235-R1238 VanDerWaalsContact O-N 3.17Å |
| 1239 | S | 47.3 | Very low | 73 | Confident | 160 Ų | 160 | 142.8 Ų | 142.8 | 100% | 1.119 | 67% | 0.671 | S | S | * | * | | | trans | -107 | 0 | -175.8 | 64.7 | 0 | 0 | 0 | 0 | 113.3 | | |