| 1 | M | 30.6 | Very low | 33.3 | Very low | 230 Ų | 230 | 135.5 Ų | 135.5 | 100% | 1.133 | 78% | 0.783 | S | S | * | * | | | | 0 | 123.4 | 0 | -62.9 | 167.3 | 177.9 | 0 | 0 | 105.7 | | |
| 2 | Q | 28.4 | Very low | 33.3 | Very low | 192 Ų | 192 | 143.1 Ų | 143.1 | 90% | 0.897 | 79% | 0.792 | S | S | * | * | | | | 56.1 | 128 | 64.4 | -76.2 | 180 | -19.7 | 0 | 0 | 111.2 | | |
| 3 | S | 32.2 | Very low | 33.3 | Very low | 92 Ų | 92 | 143.3 Ų | 143.3 | 64% | 0.643 | 80% | 0.8 | S | S | * | * | | | cis | -160.6 | -177.5 | 7.1 | 58.9 | 0 | 0 | 0 | 0 | 112.1 | | |
| 4 | N | 32.6 | Very low | 33.3 | Very low | 127 Ų | 127 | 148.4 Ų | 148.4 | 68% | 0.679 | 80% | 0.801 | S | S | * | * | | | trans | 68.8 | 150.5 | 166.1 | -60.9 | 30.1 | 0 | 0 | 0 | 114.9 | | |
| 5 | E | 37.6 | Very low | 33.6 | Very low | 174 Ų | 174 | 145.6 Ų | 145.6 | 81% | 0.813 | 79% | 0.791 | S | S | * | * | | | cis | -151.5 | 169.3 | -7.4 | -104.1 | 149.6 | -135 | 0 | 0 | 105.3 | | |
| 6 | G | 36 | Very low | 33.4 | Very low | 67 Ų | 67 | 145.9 Ų | 145.9 | 69% | 0.691 | 79% | 0.791 | S | S | * | * | | | cis | 141.3 | 105.8 | 7.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 7 | S | 34.4 | Very low | 33.7 | Very low | 115 Ų | 115 | 149.1 Ų | 149.1 | 80% | 0.804 | 80% | 0.796 | S | S | * | * | | | trans | 59.4 | 110.9 | 164.1 | -65.4 | 0 | 0 | 0 | 0 | 119.7 | | |
| 8 | K | 31.8 | Very low | 33.6 | Very low | 188 Ų | 188 | 143.2 Ų | 143.2 | 82% | 0.817 | 78% | 0.776 | S | S | * | * | | | | 73.2 | 97.9 | 85.4 | -74.9 | -179.7 | 175.3 | -178.6 | 0 | 117.5 | | |
| 9 | S | 34.2 | Very low | 33.4 | Very low | 90 Ų | 90 | 142.4 Ų | 142.4 | 63% | 0.629 | 77% | 0.771 | S | S | * | * | | | trans | -165.4 | 127.1 | 133.7 | 55 | 0 | 0 | 0 | 0 | 108 | | |
| 10 | S | 33.9 | Very low | 33.5 | Very low | 90 Ų | 90 | 142.7 Ų | 142.7 | 63% | 0.629 | 77% | 0.767 | S | S | * | * | | | cis | 74.1 | 80.7 | 46.8 | 81.8 | 0 | 0 | 0 | 0 | 115.8 | | |
| 11 | S | 34.8 | Very low | 33.4 | Very low | 126 Ų | 126 | 140.8 Ų | 140.8 | 88% | 0.881 | 77% | 0.765 | S | S | * | * | | | trans | -164 | 131.8 | 136.5 | -83.8 | 0 | 0 | 0 | 0 | 111.7 | | |
| 12 | Y | 32.5 | Very low | 33.4 | Very low | 226 Ų | 226 | 133.4 Ų | 133.4 | 89% | 0.886 | 74% | 0.736 | S | S | * | * | | | trans | -77.4 | 146.4 | 168.1 | -101.4 | -127.3 | 0 | 0 | 0 | 110.3 | | |
| 13 | T | 33.8 | Very low | 33.4 | Very low | 146 Ų | 146 | 134.2 Ų | 134.2 | 90% | 0.896 | 73% | 0.731 | S | S | * | * | | | trans | -153.6 | 138.3 | 135.2 | -22.1 | 0 | 0 | 0 | 0 | 109.9 | | |
| 14 | R | 33.4 | Very low | 33.2 | Very low | 215 Ų | 215 | 137.8 Ų | 137.8 | 81% | 0.811 | 74% | 0.737 | S | S | * | * | | | trans | -109.5 | 132.9 | 178.2 | -155.2 | -162.1 | -169 | -153.6 | 5.2 | 109.5 | | |
| 15 | T | 37.8 | Very low | 33.1 | Very low | 106 Ų | 106 | 136.2 Ų | 136.2 | 65% | 0.65 | 74% | 0.736 | S | S | * | * | | | trans | 41.6 | 116.1 | 154.6 | 50 | 0 | 0 | 0 | 0 | 119.9 | | |
| 16 | L | 29.9 | Very low | 32.8 | Very low | 151 Ų | 151 | 132.8 Ų | 132.8 | 79% | 0.791 | 73% | 0.732 | S | S | * | * | | | | 25.8 | 116 | 128.8 | -70.3 | 162.4 | 0 | 0 | 0 | 118 | | |
| 17 | F | 38.8 | Very low | 32.8 | Very low | 199 Ų | 199 | 138.4 Ų | 138.4 | 87% | 0.873 | 74% | 0.739 | S | S | * | * | | | | -166.6 | 143.9 | 95.6 | -108.9 | -71.7 | 0 | 0 | 0 | 113.3 | | |
| 18 | G | 32.8 | Very low | 32.7 | Very low | 43 Ų | 43 | 139.6 Ų | 139.6 | 44% | 0.443 | 74% | 0.737 | S | S | . | * | | | trans | 75.5 | 98.5 | 133.5 | 0 | 0 | 0 | 0 | 0 | 119.7 | | |
| 19 | N | 29.6 | Very low | 32.9 | Very low | 128 Ų | 128 | 138.1 Ų | 138.1 | 68% | 0.684 | 73% | 0.734 | S | S | * | * | | | trans | -50.5 | 141.1 | 167.7 | -54.8 | -21.2 | 0 | 0 | 0 | 114 | | |
| 20 | E | 34.5 | Very low | 32.8 | Very low | 148 Ų | 148 | 141.1 Ų | 141.1 | 69% | 0.692 | 74% | 0.744 | S | S | * | * | | | trans | -117.4 | 89.7 | 147.2 | -73.7 | -169.6 | 173.6 | 0 | 0 | 109.7 | S22 I122 | E20-S22 PolarHBondContact O-N 3.1Å; E20-I122 HydrophobicContact CG-CG1 4.02Å; E20-I122 PolarHBondContact OE1-N 2.86Å |
| 21 | S | 31.7 | Very low | 32.9 | Very low | 103 Ų | 103 | 142.2 Ų | 142.2 | 72% | 0.72 | 75% | 0.751 | S | S | * | * | | | trans | -75.4 | 113.4 | 171.2 | -87.6 | 0 | 0 | 0 | 0 | 110.7 | | |
| 22 | S | 31.6 | Very low | 32.7 | Very low | 76 Ų | 76 | 145.5 Ų | 145.5 | 53% | 0.531 | 75% | 0.75 | S | S | . | * | | | | 46.5 | 109.1 | 120.6 | 161.5 | 0 | 0 | 0 | 0 | 118.2 | E20 | E20-S22 PolarHBondContact O-N 3.1Š|
| 23 | R | 27.4 | Very low | 32.8 | Very low | 209 Ų | 209 | 143.7 Ų | 143.7 | 79% | 0.789 | 75% | 0.747 | S | S | * | * | | | trans | 64.7 | 142.9 | 149 | -44.4 | 161.7 | -173.4 | 170.1 | 1 | 114.1 | | |
| 24 | H | 28.8 | Very low | 32.8 | Very low | 167 Ų | 167 | 144.3 Ų | 144.3 | 77% | 0.773 | 74% | 0.739 | S | S | * | * | | | cis | -145.5 | 176.8 | 30.4 | -75.4 | -94.9 | 0 | 0 | 0 | 107.3 | | |
| 25 | S | 30.7 | Very low | 32.6 | Very low | 93 Ų | 93 | 139.7 Ų | 139.7 | 65% | 0.65 | 74% | 0.735 | S | S | * | * | | | cis | -153.5 | 155.7 | 23.5 | -168 | 0 | 0 | 0 | 0 | 112.8 | | |
| 26 | S | 30.3 | Very low | 32.5 | Very low | 103 Ų | 103 | 142.8 Ų | 142.8 | 72% | 0.72 | 74% | 0.741 | S | S | * | * | | | trans | -51.6 | 136.4 | 157.7 | 48 | 0 | 0 | 0 | 0 | 112.5 | | |
| 27 | H | 35.7 | Very low | 32.4 | Very low | 185 Ų | 185 | 140.1 Ų | 140.1 | 86% | 0.856 | 74% | 0.736 | S | S | * | * | | | trans | -135.4 | 140.7 | 151.7 | -112.6 | -79.1 | 0 | 0 | 0 | 111.8 | | |
| 28 | N | 33.3 | Very low | 32.2 | Very low | 140 Ų | 140 | 137.3 Ų | 137.3 | 75% | 0.749 | 73% | 0.734 | S | S | * | * | S | Bend | trans | 71.7 | 91.7 | 161.8 | -119.5 | 7 | 0 | 0 | 0 | 121.1 | | |
| 29 | M | 36.2 | Very low | 32.1 | Very low | 156 Ų | 156 | 143 Ų | 143 | 77% | 0.768 | 75% | 0.749 | S | S | * | * | | | | 52 | 70.4 | 120.8 | -59.9 | -57.4 | 172.8 | 0 | 0 | 119.4 | S31 | M29-S31 PolarHBondContact O-N 2.83Š|
| 30 | N | 31.1 | Very low | 32.1 | Very low | 154 Ų | 154 | 141.3 Ų | 141.3 | 82% | 0.824 | 75% | 0.748 | S | S | * | * | | | | 26.3 | 88.4 | 111.3 | -170.8 | 9.9 | 0 | 0 | 0 | 116.3 | | |
| 31 | S | 36.8 | Very low | 32.1 | Very low | 113 Ų | 113 | 139.9 Ų | 139.9 | 79% | 0.79 | 75% | 0.749 | S | S | * | * | | | trans | -128 | 129.1 | 164.6 | 49.6 | 0 | 0 | 0 | 0 | 110.4 | M29 | M29-S31 PolarHBondContact O-N 2.83Š|
| 32 | K | 30.2 | Very low | 32.4 | Very low | 194 Ų | 194 | 142.7 Ų | 142.7 | 84% | 0.843 | 76% | 0.756 | S | S | * | * | | | trans | -74.5 | 136.6 | -175.6 | -64 | 172.6 | 177.3 | 175.2 | 0 | 111.3 | | |
| 33 | K | 34.2 | Very low | 32.5 | Very low | 189 Ų | 189 | 146.9 Ų | 146.9 | 82% | 0.822 | 77% | 0.772 | S | S | * | * | | | | -179.7 | 166.7 | 127.3 | -103.1 | 165.7 | -176 | -177.9 | 0 | 114.4 | | |
| 34 | H | 34.5 | Very low | 33.1 | Very low | 158 Ų | 158 | 142.2 Ų | 142.2 | 73% | 0.731 | 77% | 0.768 | S | S | * | * | | | trans | 65.6 | 93.2 | 167.5 | -70.4 | -66.2 | 0 | 0 | 0 | 120.2 | | |
| 35 | T | 29.8 | Very low | 34.2 | Very low | 119 Ų | 119 | 139.8 Ų | 139.8 | 73% | 0.73 | 77% | 0.767 | S | S | * | * | | | trans | -47.6 | 137.9 | 136.2 | 47.9 | 0 | 0 | 0 | 0 | 113.2 | | |
| 36 | H | 34.3 | Very low | 34.7 | Very low | 170 Ų | 170 | 141 Ų | 141 | 79% | 0.787 | 77% | 0.773 | S | S | * | * | | | trans | 179.4 | 120 | 135 | -86.5 | -63.2 | 0 | 0 | 0 | 105.9 | | |
| 37 | S | 28.2 | Very low | 35.2 | Very low | 96 Ų | 96 | 141.8 Ų | 141.8 | 67% | 0.671 | 78% | 0.776 | S | S | * | * | | | | 79.6 | 71.1 | 68.9 | -164.7 | 0 | 0 | 0 | 0 | 113.9 | | |
| 38 | V | 35.5 | Very low | 35.8 | Very low | 139 Ų | 139 | 138.5 Ų | 138.5 | 84% | 0.842 | 77% | 0.771 | S | S | * | * | | | trans | -141.4 | 102.4 | 155.2 | -179.3 | 0 | 0 | 0 | 0 | 103.8 | | |
| 39 | E | 30.3 | Very low | 36.3 | Very low | 162 Ų | 162 | 137.5 Ų | 137.5 | 76% | 0.757 | 77% | 0.772 | S | S | * | * | | | | 74 | 131 | 52.4 | -164 | 149.5 | -148.5 | 0 | 0 | 113.2 | | |
| 40 | S | 29.9 | Very low | 36.4 | Very low | 93 Ų | 93 | 135.9 Ų | 135.9 | 65% | 0.65 | 77% | 0.773 | S | S | * | * | | | trans | -6.4 | 134.6 | 176.7 | 62.4 | 0 | 0 | 0 | 0 | 118 | | |
| 41 | T | 33.7 | Very low | 36.8 | Very low | 119 Ų | 119 | 133.5 Ų | 133.5 | 73% | 0.73 | 77% | 0.766 | S | S | * | * | | | | -169.1 | 135.6 | 62.6 | 43.5 | 0 | 0 | 0 | 0 | 111.9 | | |
| 42 | N | 37.8 | Very low | 36.6 | Very low | 161 Ų | 161 | 140 Ų | 140 | 86% | 0.861 | 77% | 0.774 | S | S | * | * | S | Bend | trans | -173.1 | 131.9 | 131.1 | -99.2 | -46.9 | 0 | 0 | 0 | 109.9 | | |
| 43 | L | 34.4 | Very low | 36.9 | Very low | 164 Ų | 164 | 140.7 Ų | 140.7 | 86% | 0.859 | 77% | 0.772 | S | S | * | * | | | trans | -40.6 | 138.7 | -162 | -67 | 156.7 | 0 | 0 | 0 | 117.4 | | |
| 44 | P | 40.3 | Very low | 37.1 | Very low | 111 Ų | 111 | 137 Ų | 137 | 72% | 0.721 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -73.9 | 154.4 | 177.6 | 32.3 | -36 | 0 | 0 | 0 | 112.7 | | |
| 45 | P | 50 | Low | 37.1 | Very low | 116 Ų | 116 | 137.7 Ų | 137.7 | 75% | 0.753 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 152.3 | 175.4 | 28.5 | -35.2 | 0 | 0 | 0 | 112.3 | | |
| 46 | P | 42.9 | Very low | 37.5 | Very low | 119 Ų | 119 | 141.6 Ų | 141.6 | 77% | 0.773 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 152.5 | -175.9 | 26.6 | -34.7 | 0 | 0 | 0 | 113.3 | | |
| 47 | P | 40.3 | Very low | 37.5 | Very low | 119 Ų | 119 | 140.9 Ų | 140.9 | 77% | 0.773 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -76.4 | 149.5 | -164.3 | 29.6 | -36.6 | 0 | 0 | 0 | 114.5 | | |
| 48 | P | 48.8 | Very low | 37.8 | Very low | 117 Ų | 117 | 143.1 Ų | 143.1 | 76% | 0.76 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -70.6 | 152.7 | 172 | 30.9 | -35.4 | 0 | 0 | 0 | 112.1 | | |
| 49 | P | 42.2 | Very low | 37.6 | Very low | 119 Ų | 119 | 140.3 Ų | 140.3 | 77% | 0.773 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 156 | -178.2 | 28 | -34.8 | 0 | 0 | 0 | 113.5 | | |
| 50 | P | 39.7 | Very low | 37.7 | Very low | 121 Ų | 121 | 141.1 Ų | 141.1 | 79% | 0.786 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -75.5 | 145.3 | -159.3 | -19.9 | 34.4 | 0 | 0 | 0 | 115.5 | | |
| 51 | P | 38.7 | Very low | 37.8 | Very low | 104 Ų | 104 | 142 Ų | 142 | 68% | 0.675 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -68.3 | 134.5 | 173.2 | -17 | 30.7 | 0 | 0 | 0 | 112.7 | Y53 | P51-Y53 HydrophobicContact CB-CE2 4.46Å; P51-Y53 PolarHBondContact O-N 2.9Å |
| 52 | R | 33.3 | Very low | 37.6 | Very low | 251 Ų | 251 | 143.4 Ų | 143.4 | 95% | 0.947 | 80% | 0.798 | S | S | * | * | | | trans | -76.7 | 98.8 | 166.4 | -75.2 | -174 | 175.2 | -174.7 | -1.4 | 110 | | |
| 53 | Y | 35.5 | Very low | 37.3 | Very low | 207 Ų | 207 | 146.6 Ų | 146.6 | 81% | 0.812 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 132.5 | 168.8 | -86.8 | -94.2 | 0 | 0 | 0 | 111.1 | P51 | P51-Y53 HydrophobicContact CB-CE2 4.46Å; P51-Y53 PolarHBondContact O-N 2.9Å |
| 54 | P | 38.1 | Very low | 37.1 | Very low | 111 Ų | 111 | 145.1 Ų | 145.1 | 72% | 0.721 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -74.7 | 130.8 | 168 | 30.5 | -32.2 | 0 | 0 | 0 | 110 | | |
| 55 | L | 35.7 | Very low | 36.5 | Very low | 174 Ų | 174 | 143.4 Ų | 143.4 | 91% | 0.911 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 137.3 | 171.4 | -71.6 | 163.5 | 0 | 0 | 0 | 109.9 | | |
| 56 | K | 37.3 | Very low | 35.4 | Very low | 200 Ų | 200 | 148.2 Ų | 148.2 | 87% | 0.87 | 80% | 0.803 | S | S | * | * | | | trans | -107 | 152.7 | 170.1 | -83.4 | -171.6 | 173.1 | -176.9 | 0 | 110.5 | | |
| 57 | N | 34.8 | Very low | 35 | Very low | 155 Ų | 155 | 148.5 Ų | 148.5 | 83% | 0.829 | 80% | 0.802 | S | S | * | * | | | trans | -61.6 | 162 | -163.2 | -55.1 | 16.9 | 0 | 0 | 0 | 115.4 | | |
| 58 | D | 34.2 | Very low | 34.3 | Very low | 144 Ų | 144 | 148.6 Ų | 148.6 | 77% | 0.77 | 80% | 0.8 | S | S | * | * | | | trans | -54.9 | 150.1 | 177.5 | -54 | -95.3 | 0 | 0 | 0 | 115.2 | F60 | D58-F60 HydrophobicContact CB-CD2 4.49Š|
| 59 | G | 32.2 | Very low | 33.6 | Very low | 79 Ų | 79 | 148.9 Ų | 148.9 | 81% | 0.814 | 81% | 0.805 | S | S | * | * | | | trans | -146.2 | 60.2 | 175 | 0 | 0 | 0 | 0 | 0 | 111.5 | S61 | G59-S61 PolarHBondContact O-N 3.14Š|
| 60 | F | 32.6 | Very low | 33.1 | Very low | 180 Ų | 180 | 146.3 Ų | 146.3 | 79% | 0.789 | 80% | 0.8 | S | S | * | * | | | trans | -62.8 | 128.8 | 178.5 | -92.3 | -93.9 | 0 | 0 | 0 | 112.2 | D58 L62 | D58-F60 HydrophobicContact CB-CD2 4.49Å; F60-L62 HydrophobicContact CD1-CD1 4.12Å |
| 61 | S | 32.1 | Very low | 32.8 | Very low | 112 Ų | 112 | 147.5 Ų | 147.5 | 78% | 0.783 | 81% | 0.805 | S | S | * | * | | | trans | -152.5 | 111.9 | 162.2 | -171 | 0 | 0 | 0 | 0 | 110.4 | G59 | G59-S61 PolarHBondContact O-N 3.14Š|
| 62 | L | 29.5 | Very low | 32.5 | Very low | 148 Ų | 148 | 148.6 Ų | 148.6 | 78% | 0.775 | 81% | 0.812 | S | S | * | * | | | trans | -97.2 | 124.9 | 171.8 | -84.1 | 81.2 | 0 | 0 | 0 | 109.9 | F60 | F60-L62 HydrophobicContact CD1-CD1 4.12Š|
| 63 | R | 30.2 | Very low | 32.5 | Very low | 227 Ų | 227 | 143.6 Ų | 143.6 | 86% | 0.857 | 81% | 0.81 | S | S | * | * | | | trans | -153.5 | 86.4 | 166.9 | -143.3 | 171.3 | -169.1 | -159.9 | 1.4 | 110.1 | | |
| 64 | T | 30.7 | Very low | 32.4 | Very low | 134 Ų | 134 | 141 Ų | 141 | 82% | 0.822 | 81% | 0.805 | S | S | * | * | | | | 52.8 | 109.9 | 97.9 | 58.8 | 0 | 0 | 0 | 0 | 114.9 | | |
| 65 | G | 28.4 | Very low | 32.1 | Very low | 74 Ų | 74 | 144.7 Ų | 144.7 | 76% | 0.763 | 81% | 0.81 | S | S | * | * | | | trans | -178.1 | 127.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 66 | Y | 27.3 | Very low | 32 | Very low | 218 Ų | 218 | 142.6 Ų | 142.6 | 86% | 0.855 | 80% | 0.804 | S | S | * | * | | | trans | -56.7 | 164.3 | 173.9 | -60.2 | -101.2 | 0 | 0 | 0 | 112.5 | | |
| 67 | V | 32.8 | Very low | 31.7 | Very low | 125 Ų | 125 | 139.1 Ų | 139.1 | 76% | 0.758 | 80% | 0.802 | S | S | * | * | | | cis | -161.3 | 124.6 | 49.3 | 173.3 | 0 | 0 | 0 | 0 | 106.6 | | |
| 68 | V | 26.8 | Very low | 31.7 | Very low | 121 Ų | 121 | 141.6 Ų | 141.6 | 73% | 0.733 | 81% | 0.806 | S | S | * | * | | | | 66.5 | 138.4 | 80.4 | 179.7 | 0 | 0 | 0 | 0 | 116.2 | | |
| 69 | S | 34.1 | Very low | 31.6 | Very low | 123 Ų | 123 | 140.1 Ų | 140.1 | 86% | 0.86 | 81% | 0.806 | S | S | * | * | | | trans | 78.6 | 137.2 | 178.7 | 76.7 | 0 | 0 | 0 | 0 | 117.5 | | |
| 70 | G | 32 | Very low | 31.5 | Very low | 65 Ų | 65 | 142.1 Ų | 142.1 | 67% | 0.67 | 81% | 0.805 | S | S | * | * | | | cis | -170.3 | 167.9 | -5.2 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 71 | T | 32.3 | Very low | 31.5 | Very low | 145 Ų | 145 | 139.1 Ų | 139.1 | 89% | 0.89 | 80% | 0.804 | S | S | * | * | | | trans | 53.5 | 113.9 | 163.2 | 51 | 0 | 0 | 0 | 0 | 120.8 | | |
| 72 | P | 33 | Very low | 31.3 | Very low | 127 Ų | 127 | 142.1 Ų | 142.1 | 83% | 0.825 | 80% | 0.798 | S | S | * | * | | | trans | -95.9 | 153.7 | 168.3 | 37.3 | -32.8 | 0 | 0 | 0 | 113.6 | | |
| 73 | T | 33.2 | Very low | 31.2 | Very low | 146 Ų | 146 | 141.7 Ų | 141.7 | 90% | 0.896 | 80% | 0.801 | S | S | * | * | | | trans | -113.6 | 91.4 | 169.8 | 45.7 | 0 | 0 | 0 | 0 | 112.8 | | |
| 74 | E | 32.6 | Very low | 31.3 | Very low | 154 Ų | 154 | 136.4 Ų | 136.4 | 72% | 0.72 | 80% | 0.799 | S | S | * | * | | | trans | 8.7 | 114.8 | 139.3 | -167.4 | -159.6 | -113.5 | 0 | 0 | 118.8 | | |
| 75 | K | 32.6 | Very low | 31.2 | Very low | 187 Ų | 187 | 135 Ų | 135 | 81% | 0.813 | 80% | 0.795 | S | S | * | * | | | | -169.2 | 139.4 | 116.4 | -102.5 | 143.5 | -164.2 | 158.9 | 0 | 113.4 | | |
| 76 | T | 32.6 | Very low | 31.2 | Very low | 130 Ų | 130 | 138.5 Ų | 138.5 | 80% | 0.798 | 80% | 0.795 | S | S | * | * | | | trans | -91.2 | 156.2 | -173.6 | 30.4 | 0 | 0 | 0 | 0 | 113.4 | | |
| 77 | P | 31.7 | Very low | 31.6 | Very low | 127 Ų | 127 | 138.4 Ų | 138.4 | 83% | 0.825 | 79% | 0.793 | S | S | * | * | | | trans | -74.1 | 149 | -176.5 | 30.8 | -36 | 0 | 0 | 0 | 112.7 | | |
| 78 | K | 35.4 | Very low | 31.7 | Very low | 208 Ų | 208 | 138.3 Ų | 138.3 | 90% | 0.904 | 80% | 0.795 | S | S | * | * | | | trans | -121.3 | 138.7 | 163.6 | -78.5 | -176.1 | 175.2 | 179.8 | 0 | 110 | | |
| 79 | S | 31.1 | Very low | 32.2 | Very low | 112 Ų | 112 | 143 Ų | 143 | 78% | 0.783 | 80% | 0.8 | S | S | * | * | | | trans | -81 | 156.3 | -176.8 | 37.6 | 0 | 0 | 0 | 0 | 113.1 | | |
| 80 | P | 31.2 | Very low | 32 | Very low | 121 Ų | 121 | 140.3 Ų | 140.3 | 79% | 0.786 | 79% | 0.791 | S | S | * | * | | | trans | -76.3 | 155.3 | 175.6 | 33.4 | -36.4 | 0 | 0 | 0 | 111.7 | | |
| 81 | P | 31.6 | Very low | 32 | Very low | 117 Ų | 117 | 145.4 Ų | 145.4 | 76% | 0.76 | 80% | 0.801 | S | S | * | * | | | | -149.8 | 177.5 | 110.7 | 40.9 | -26.1 | 0 | 0 | 0 | 115.9 | | |
| 82 | R | 29.2 | Very low | 31.9 | Very low | 175 Ų | 175 | 143.6 Ų | 143.6 | 66% | 0.66 | 79% | 0.792 | S | S | * | * | | | trans | 67.2 | 83.3 | 160.7 | -71.6 | -177.5 | 179.2 | -147.1 | -8.3 | 119.5 | E699 | R82-E699 IonicContact CZ-OE1 3.79Å; R82-E699 IonicContact CZ-OE2 2.85Å; R82-E699 IonicContact NH1-OE2 3.22Å; R82-E699 PolarHBondContact NH1-OE2 3.33Å; R82-E699 IonicContact NH2-OE1 3.29Å; R82-E699 PolarHBondContact NH2-OE1 2.99Å; R82-E699 IonicContact NH2-OE2 3.22Å; R82-E699 PolarHBondContact NH2-OE2 3.41Å |
| 83 | T | 26.7 | Very low | 31.8 | Very low | 139 Ų | 139 | 145.3 Ų | 145.3 | 85% | 0.853 | 79% | 0.794 | S | S | * | * | | | | 18.9 | 117.8 | 120.1 | 55 | 0 | 0 | 0 | 0 | 119.1 | | |
| 84 | S | 32.6 | Very low | 31.8 | Very low | 116 Ų | 116 | 146.8 Ų | 146.8 | 81% | 0.811 | 79% | 0.788 | S | S | * | * | | | trans | -148 | 107.9 | 157.4 | 65.5 | 0 | 0 | 0 | 0 | 114.1 | | |
| 85 | S | 29 | Very low | 31.7 | Very low | 104 Ų | 104 | 149.9 Ų | 149.9 | 73% | 0.727 | 79% | 0.793 | S | S | * | * | | | trans | 40 | 110.7 | 139 | -149.8 | 0 | 0 | 0 | 0 | 121.9 | | |
| 86 | L | 28.5 | Very low | 31.8 | Very low | 148 Ų | 148 | 148.3 Ų | 148.3 | 78% | 0.775 | 79% | 0.788 | S | S | * | * | | | | 41.7 | 107.6 | 129.4 | -62.5 | 167.7 | 0 | 0 | 0 | 120.3 | | |
| 87 | R | 35 | Very low | 31.8 | Very low | 216 Ų | 216 | 148.7 Ų | 148.7 | 82% | 0.815 | 78% | 0.784 | S | S | * | * | | | trans | -148.6 | 99.7 | 140.5 | -82.6 | -162.1 | 173.8 | 154.4 | 0.3 | 112.9 | | |
| 88 | P | 34.8 | Very low | 31.9 | Very low | 123 Ų | 123 | 146.4 Ų | 146.4 | 80% | 0.799 | 78% | 0.783 | S | S | * | * | | | trans | -81.4 | 109.8 | 160.2 | -5.5 | 24.2 | 0 | 0 | 0 | 110 | | |
| 89 | R | 37.2 | Very low | 31.5 | Very low | 220 Ų | 220 | 141 Ų | 141 | 83% | 0.83 | 77% | 0.772 | S | S | * | * | | | trans | -115.6 | 144.8 | 154.6 | -67.4 | 173.7 | 170.8 | 174.5 | -7.3 | 105.8 | | |
| 90 | G | 29.2 | Very low | 31.6 | Very low | 66 Ų | 66 | 143.7 Ų | 143.7 | 68% | 0.68 | 77% | 0.772 | S | S | * | * | | | cis | 149.3 | 131.9 | -2.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 91 | I | 32.5 | Very low | 31.8 | Very low | 172 Ų | 172 | 143.6 Ų | 143.6 | 88% | 0.882 | 77% | 0.765 | S | S | * | * | | | trans | 74.1 | 133.4 | 177.4 | -52.3 | 178.4 | 0 | 0 | 0 | 114.9 | | |
| 92 | P | 29.4 | Very low | 31.8 | Very low | 107 Ų | 107 | 144.9 Ų | 144.9 | 70% | 0.695 | 76% | 0.764 | S | S | * | * | | | trans | -108.2 | -170.1 | -175.4 | 43.2 | -37.5 | 0 | 0 | 0 | 114.4 | | |
| 93 | L | 31 | Very low | 31.9 | Very low | 163 Ų | 163 | 143.9 Ų | 143.9 | 85% | 0.853 | 77% | 0.771 | S | S | * | * | | | trans | 70.3 | 101.6 | 162 | -62.4 | 174.3 | 0 | 0 | 0 | 118.8 | | |
| 94 | K | 33.9 | Very low | 32.1 | Very low | 178 Ų | 178 | 145.5 Ų | 145.5 | 77% | 0.774 | 77% | 0.769 | S | S | * | * | | | | -137.3 | 127.6 | 129.5 | -101.7 | -169.7 | 161.8 | -154.8 | 0 | 109.4 | E96 | K94-E96 IonicContact NZ-OE1 2.71Å; K94-E96 PolarHBondContact NZ-OE1 3.3Å |
| 95 | R | 29.9 | Very low | 32 | Very low | 219 Ų | 219 | 145.5 Ų | 145.5 | 83% | 0.826 | 77% | 0.767 | S | S | * | * | | | trans | -110.1 | 99.4 | 169.1 | 174.8 | -170.4 | -82 | 167.3 | -7 | 106.8 | I97 | R95-I97 HydrophobicContact CG-CG1 4.22Š|
| 96 | E | 34.6 | Very low | 32.2 | Very low | 154 Ų | 154 | 146.9 Ų | 146.9 | 72% | 0.72 | 77% | 0.77 | S | S | * | * | | | trans | -91 | 110.8 | 172.9 | -71.8 | -179.9 | 177.8 | 0 | 0 | 108.6 | K94 | K94-E96 IonicContact NZ-OE1 2.71Å; K94-E96 PolarHBondContact NZ-OE1 3.3Å |
| 97 | I | 34.4 | Very low | 32.3 | Very low | 138 Ų | 138 | 146 Ų | 146 | 71% | 0.708 | 77% | 0.771 | S | S | * | * | | | trans | -95.3 | 109.4 | 167.3 | -66.9 | 171.6 | 0 | 0 | 0 | 106 | R95 | R95-I97 HydrophobicContact CG-CG1 4.22Š|
| 98 | G | 32 | Very low | 32.1 | Very low | 78 Ų | 78 | 146.3 Ų | 146.3 | 80% | 0.804 | 77% | 0.774 | S | S | * | * | | | trans | -81.2 | 125.2 | 167.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 99 | S | 28.6 | Very low | 31.8 | Very low | 96 Ų | 96 | 143.6 Ų | 143.6 | 67% | 0.671 | 77% | 0.768 | S | S | * | * | | | trans | -134.1 | 78.1 | -177.2 | 61.1 | 0 | 0 | 0 | 0 | 111.7 | | |
| 100 | H | 33.3 | Very low | 31.3 | Very low | 167 Ų | 167 | 139 Ų | 139 | 77% | 0.773 | 77% | 0.769 | S | S | * | * | | | trans | -155.5 | 144.8 | 175 | -82.7 | -76.9 | 0 | 0 | 0 | 106.1 | | |
| 101 | D | 33.7 | Very low | 31.5 | Very low | 120 Ų | 120 | 140.7 Ų | 140.7 | 64% | 0.642 | 78% | 0.777 | S | S | * | * | | | cis | -156.5 | 157 | 9.4 | -111.3 | -26 | 0 | 0 | 0 | 112.7 | | |
| 102 | L | 31.8 | Very low | 31.2 | Very low | 143 Ų | 143 | 141.8 Ų | 141.8 | 75% | 0.749 | 78% | 0.779 | S | S | * | * | | | trans | 60.3 | 140.6 | 140 | -69.6 | 169.3 | 0 | 0 | 0 | 125.4 | | |
| 103 | L | 32 | Very low | 31.2 | Very low | 155 Ų | 155 | 142.3 Ų | 142.3 | 81% | 0.812 | 78% | 0.783 | S | S | * | * | | | trans | 92.1 | 152.5 | 147.5 | -73.7 | 159.4 | 0 | 0 | 0 | 120.8 | | |
| 104 | Q | 30 | Very low | 31.1 | Very low | 172 Ų | 172 | 142.8 Ų | 142.8 | 80% | 0.804 | 78% | 0.782 | S | S | * | * | | | trans | -107.9 | 154.6 | -152.7 | -66.5 | 171 | -69.7 | 0 | 0 | 113.5 | | |
| 105 | P | 32.2 | Very low | 30.8 | Very low | 117 Ų | 117 | 141.9 Ų | 141.9 | 76% | 0.76 | 78% | 0.784 | S | S | * | * | | | trans | -72.3 | 141.7 | 167.3 | 31.8 | -34.5 | 0 | 0 | 0 | 111.2 | | |
| 106 | V | 33.1 | Very low | 30.9 | Very low | 133 Ų | 133 | 138.5 Ų | 138.5 | 81% | 0.806 | 78% | 0.781 | S | S | * | * | | | trans | -95.8 | 120 | 169 | 174.7 | 0 | 0 | 0 | 0 | 108.9 | Y108 | V106-Y108 HydrophobicContact CG1-CD2 4.26Š|
| 107 | T | 29 | Very low | 30.8 | Very low | 128 Ų | 128 | 140.1 Ų | 140.1 | 79% | 0.785 | 79% | 0.786 | S | S | * | * | | | trans | -107.7 | 110 | 176.2 | -49 | 0 | 0 | 0 | 0 | 110.3 | | |
| 108 | Y | 30.9 | Very low | 30.4 | Very low | 224 Ų | 224 | 142.9 Ų | 142.9 | 88% | 0.878 | 79% | 0.793 | S | S | * | * | | | trans | -117.1 | 148.1 | 153.5 | -90.6 | -100 | 0 | 0 | 0 | 106.8 | V106 | V106-Y108 HydrophobicContact CG1-CD2 4.26Š|
| 109 | G | 28.2 | Very low | 30.6 | Very low | 66 Ų | 66 | 144.1 Ų | 144.1 | 68% | 0.68 | 79% | 0.786 | S | S | * | * | | | cis | 148 | 109.5 | 5.1 | 0 | 0 | 0 | 0 | 0 | 107.6 | | |
| 110 | S | 27.3 | Very low | 30.7 | Very low | 122 Ų | 122 | 147.6 Ų | 147.6 | 85% | 0.853 | 79% | 0.792 | S | S | * | * | | | trans | -68.5 | 141 | -164.9 | 52.3 | 0 | 0 | 0 | 0 | 114.4 | | |
| 111 | A | 33 | Very low | 30.4 | Very low | 103 Ų | 103 | 146 Ų | 146 | 85% | 0.851 | 79% | 0.788 | S | S | * | * | | | trans | -148.2 | 81.7 | 162 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 112 | E | 27.1 | Very low | 30.2 | Very low | 194 Ų | 194 | 143.8 Ų | 143.8 | 91% | 0.907 | 78% | 0.775 | S | S | * | * | | | trans | -80.4 | 129 | 159.6 | -65.9 | -174.4 | 121.5 | 0 | 0 | 108.8 | | |
| 113 | C | 28.7 | Very low | 30.1 | Very low | 118 Ų | 118 | 143 Ų | 143 | 80% | 0.797 | 78% | 0.776 | S | S | * | * | | | trans | -157.4 | 95.5 | 160.8 | -143.6 | 0 | 0 | 0 | 0 | 113.2 | | |
| 114 | Q | 30.1 | Very low | 30 | Very low | 174 Ų | 174 | 140.6 Ų | 140.6 | 81% | 0.813 | 77% | 0.773 | S | S | * | * | | | trans | 34.3 | 106.9 | 137.2 | -58.1 | 178 | 8.6 | 0 | 0 | 119.3 | | |
| 115 | I | 27.6 | Very low | 29.8 | Very low | 159 Ų | 159 | 138.2 Ų | 138.2 | 82% | 0.815 | 77% | 0.774 | S | S | * | * | | | | 9.5 | 124.9 | 123.8 | -54.7 | 162.3 | 0 | 0 | 0 | 115.6 | | |
| 116 | L | 30.6 | Very low | 29.7 | Very low | 147 Ų | 147 | 138.2 Ų | 138.2 | 77% | 0.77 | 78% | 0.777 | S | S | * | * | | | trans | -176.2 | 160.1 | 134.9 | -104.4 | 167 | 0 | 0 | 0 | 114.9 | | |
| 117 | K | 32.9 | Very low | 29.3 | Very low | 189 Ų | 189 | 139.3 Ų | 139.3 | 82% | 0.822 | 78% | 0.778 | S | S | * | * | | | trans | 72.1 | 113.2 | 157.7 | -73 | 165.3 | -176.2 | 174.5 | 0 | 120.3 | | |
| 118 | K | 26.8 | Very low | 29.3 | Very low | 196 Ų | 196 | 140.6 Ų | 140.6 | 85% | 0.852 | 78% | 0.78 | S | S | * | * | | | trans | -105.5 | 127.9 | 169.7 | 164.3 | -171.6 | 178.1 | -176.8 | 0 | 110.2 | | |
| 119 | P | 36.8 | Very low | 29.2 | Very low | 104 Ų | 104 | 133.8 Ų | 133.8 | 68% | 0.675 | 77% | 0.77 | S | S | * | * | | | trans | -79.3 | 139.3 | 154.3 | -8.3 | 27.3 | 0 | 0 | 0 | 109.6 | | |
| 120 | Q | 29.5 | Very low | 29.2 | Very low | 168 Ų | 168 | 137.8 Ų | 137.8 | 79% | 0.785 | 78% | 0.776 | S | S | * | * | | | | 60.3 | 90.5 | 72.1 | -65.4 | -173.5 | -14.7 | 0 | 0 | 111.9 | | |
| 121 | I | 28.2 | Very low | 29.5 | Very low | 134 Ų | 134 | 138 Ų | 138 | 69% | 0.687 | 78% | 0.777 | S | S | * | * | | | | 85 | 94.5 | 67.6 | -65 | 164.2 | 0 | 0 | 0 | 112.8 | | |
| 122 | I | 28.7 | Very low | 29.3 | Very low | 73 Ų | 73 | 142.6 Ų | 142.6 | 37% | 0.374 | 78% | 0.781 | S | S | . | * | | | trans | 24.6 | 122 | 131.9 | -46.9 | 162.6 | 0 | 0 | 0 | 117.4 | E20 | E20-I122 HydrophobicContact CG-CG1 4.02Å; E20-I122 PolarHBondContact OE1-N 2.86Å |
| 123 | T | 29.6 | Very low | 29.7 | Very low | 126 Ų | 126 | 142.5 Ų | 142.5 | 77% | 0.773 | 78% | 0.778 | S | S | * | * | | | trans | -154 | 150.2 | 142.6 | -52.8 | 0 | 0 | 0 | 0 | 112.4 | | |
| 124 | S | 30.8 | Very low | 29.8 | Very low | 105 Ų | 105 | 145.3 Ų | 145.3 | 73% | 0.734 | 78% | 0.779 | S | S | * | * | | | trans | 63.2 | 111.2 | 157.9 | 51.6 | 0 | 0 | 0 | 0 | 121.1 | | |
| 125 | C | 24.6 | Very low | 29.6 | Very low | 123 Ų | 123 | 146 Ų | 146 | 83% | 0.831 | 78% | 0.78 | S | S | * | * | | | trans | -74.3 | 150.4 | 146.3 | -51.8 | 0 | 0 | 0 | 0 | 110.3 | | |
| 126 | S | 29.6 | Very low | 29.9 | Very low | 117 Ų | 117 | 143.7 Ų | 143.7 | 82% | 0.818 | 78% | 0.775 | S | S | * | * | | | trans | -138.3 | 130.3 | 164.7 | 63 | 0 | 0 | 0 | 0 | 111.5 | | |
| 127 | N | 25.1 | Very low | 29.6 | Very low | 156 Ų | 156 | 143.8 Ų | 143.8 | 83% | 0.834 | 77% | 0.771 | S | S | * | * | | | trans | -82.1 | 137.1 | 179.5 | -47.2 | -61.4 | 0 | 0 | 0 | 110.2 | | |
| 128 | N | 28.5 | Very low | 29.6 | Very low | 155 Ų | 155 | 141.3 Ų | 141.3 | 83% | 0.829 | 77% | 0.772 | S | S | * | * | | | trans | -166.7 | 168.8 | 146.9 | -124.2 | -48.3 | 0 | 0 | 0 | 115.4 | | |
| 129 | A | 30.1 | Very low | 29.7 | Very low | 81 Ų | 81 | 137.5 Ų | 137.5 | 67% | 0.669 | 76% | 0.761 | S | S | * | * | | | trans | 60 | 98 | 173.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 130 | N | 27 | Very low | 29.3 | Very low | 149 Ų | 149 | 144.1 Ų | 144.1 | 80% | 0.797 | 77% | 0.772 | S | S | * | * | | | | 52.4 | 101.9 | 69.5 | -61 | -30 | 0 | 0 | 0 | 114.4 | | |
| 131 | S | 33.8 | Very low | 29.6 | Very low | 127 Ų | 127 | 141.6 Ų | 141.6 | 89% | 0.888 | 77% | 0.77 | S | S | * | * | | | trans | -177.4 | 76.5 | 133.8 | 38.7 | 0 | 0 | 0 | 0 | 113.8 | | |
| 132 | E | 29.8 | Very low | 29.8 | Very low | 200 Ų | 200 | 142.2 Ų | 142.2 | 94% | 0.935 | 78% | 0.78 | S | S | * | * | | | trans | -142.2 | 146.9 | 144.8 | -157.6 | 156.9 | -131.6 | 0 | 0 | 110 | | |
| 133 | K | 35.6 | Very low | 29.8 | Very low | 192 Ų | 192 | 150 Ų | 150 | 84% | 0.835 | 81% | 0.805 | S | S | * | * | | | trans | -114.7 | 132.3 | -169.8 | -78.5 | -174.8 | 176.7 | -179.6 | 0 | 111.8 | | |
| 134 | Q | 29.9 | Very low | 29.8 | Very low | 176 Ų | 176 | 149.2 Ų | 149.2 | 82% | 0.822 | 80% | 0.802 | S | S | * | * | | | trans | 75.1 | 84 | 139.6 | -159 | 159.4 | -0.7 | 0 | 0 | 118.4 | | |
| 135 | F | 26 | Very low | 29.7 | Very low | 188 Ų | 188 | 153.9 Ų | 153.9 | 83% | 0.825 | 81% | 0.809 | S | S | * | * | | | trans | -23.6 | 168.7 | 133.9 | -63.1 | -92 | 0 | 0 | 0 | 116.9 | | |
| 136 | P | 34.4 | Very low | 29.9 | Very low | 111 Ų | 111 | 155.9 Ų | 155.9 | 72% | 0.721 | 81% | 0.812 | S | S | * | * | | | cis | -134.1 | 153.1 | -2.8 | 16.9 | 8.8 | 0 | 0 | 0 | 117.5 | | |
| 137 | H | 25 | Very low | 29.9 | Very low | 150 Ų | 150 | 158.1 Ų | 158.1 | 69% | 0.694 | 81% | 0.814 | S | S | * | * | | | | 43.6 | 124.2 | 120.7 | -134.1 | -52.8 | 0 | 0 | 0 | 121.1 | D139 | H137-D139 IonicContact CE1-OD1 3.93Å; H137-D139 IonicContact CE1-OD2 3.17Å; H137-D139 PolarHBondContact CE1-OD2 2.74Å; H137-D139 VanDerWaalsContact CE1-OD2 3.22Å; H137-D139 IonicContact ND1-OD2 2.74Å; H137-D139 PolarHBondContact ND1-OD2 2.85Å |
| 138 | V | 31.6 | Very low | 30.3 | Very low | 136 Ų | 136 | 156.8 Ų | 156.8 | 82% | 0.824 | 82% | 0.817 | S | S | * | * | | | | -176.5 | 135.8 | 117 | 150.5 | 0 | 0 | 0 | 0 | 111.9 | | |
| 139 | D | 28.8 | Very low | 30.3 | Very low | 116 Ų | 116 | 156 Ų | 156 | 62% | 0.62 | 81% | 0.812 | S | S | * | * | | | trans | -66.5 | 144.9 | -167 | -48.2 | -95.5 | 0 | 0 | 0 | 117.1 | H137 | H137-D139 IonicContact CE1-OD1 3.93Å; H137-D139 IonicContact CE1-OD2 3.17Å; H137-D139 PolarHBondContact CE1-OD2 2.74Å; H137-D139 VanDerWaalsContact CE1-OD2 3.22Å; H137-D139 IonicContact ND1-OD2 2.74Å; H137-D139 PolarHBondContact ND1-OD2 2.85Å |
| 140 | R | 29.7 | Very low | 30.5 | Very low | 244 Ų | 244 | 158.3 Ų | 158.3 | 92% | 0.921 | 81% | 0.813 | S | S | * | * | | | | -172.4 | 159.2 | 101.1 | -101.9 | -177.1 | 166.6 | 160.7 | -1.5 | 114.2 | | |
| 141 | P | 34.7 | Very low | 30.7 | Very low | 115 Ų | 115 | 157.1 Ų | 157.1 | 75% | 0.747 | 81% | 0.807 | S | S | * | * | | | trans | -105.3 | 146.6 | -166.7 | 38.4 | -33.4 | 0 | 0 | 0 | 115.6 | | |
| 142 | V | 32.2 | Very low | 30.6 | Very low | 147 Ų | 147 | 158.7 Ų | 158.7 | 89% | 0.891 | 81% | 0.806 | S | S | * | * | | | trans | -138.6 | 150.3 | 157 | -178.3 | 0 | 0 | 0 | 0 | 108.9 | | |
| 143 | R | 29.9 | Very low | 30.6 | Very low | 235 Ų | 235 | 156.6 Ų | 156.6 | 89% | 0.887 | 80% | 0.799 | S | S | * | * | | | trans | -70.3 | 156.4 | -176.3 | -85.4 | -176.4 | 174.3 | 178.4 | -1.6 | 113.9 | | |
| 144 | P | 29 | Very low | 30.2 | Very low | 111 Ų | 111 | 153.2 Ų | 153.2 | 72% | 0.721 | 80% | 0.795 | S | S | * | * | | | trans | -83 | 145.1 | 177.1 | 34.5 | -35 | 0 | 0 | 0 | 112.7 | | |
| 145 | F | 27.6 | Very low | 30 | Very low | 202 Ų | 202 | 150.5 Ų | 150.5 | 89% | 0.886 | 79% | 0.79 | S | S | * | * | | | trans | -146.2 | 107 | 144.7 | -96.4 | -74.4 | 0 | 0 | 0 | 107.8 | | |
| 146 | N | 30.7 | Very low | 30.1 | Very low | 165 Ų | 165 | 147 Ų | 147 | 88% | 0.882 | 79% | 0.785 | S | S | * | * | | | trans | -129.6 | 116.5 | 163.4 | -137.5 | -5.2 | 0 | 0 | 0 | 106.6 | | |
| 147 | L | 29.3 | Very low | 29.8 | Very low | 165 Ų | 165 | 147.4 Ų | 147.4 | 86% | 0.864 | 79% | 0.785 | S | S | * | * | | | trans | -81.9 | 126.7 | -177.8 | -68.6 | 160.2 | 0 | 0 | 0 | 108.1 | | |
| 148 | S | 31.8 | Very low | 29.7 | Very low | 128 Ų | 128 | 144.7 Ų | 144.7 | 90% | 0.895 | 78% | 0.783 | S | S | * | * | | | trans | -136.1 | 126 | 162.7 | -168 | 0 | 0 | 0 | 0 | 108.6 | | |
| 149 | N | 28.9 | Very low | 29.5 | Very low | 138 Ų | 138 | 144.8 Ų | 144.8 | 74% | 0.738 | 78% | 0.784 | S | S | * | * | | | trans | -133.4 | 124.7 | -174.9 | 179.4 | 94.9 | 0 | 0 | 0 | 106.1 | | |
| 150 | D | 34.1 | Very low | 29.4 | Very low | 129 Ų | 129 | 143.2 Ų | 143.2 | 69% | 0.69 | 79% | 0.787 | S | S | * | * | | | trans | 172.9 | 138.7 | 141.7 | -93.4 | 2 | 0 | 0 | 0 | 113.2 | | |
| 151 | N | 31.5 | Very low | 29.2 | Very low | 124 Ų | 124 | 137.8 Ų | 137.8 | 66% | 0.663 | 78% | 0.781 | S | S | * | * | | | trans | 41.4 | 109.3 | 145.9 | -55.2 | -54.6 | 0 | 0 | 0 | 120.1 | | |
| 152 | N | 32.1 | Very low | 28.8 | Very low | 161 Ų | 161 | 137.7 Ų | 137.7 | 86% | 0.861 | 78% | 0.778 | S | S | * | * | | | | 59.2 | 81.8 | 82.7 | -86.6 | -33.3 | 0 | 0 | 0 | 116.4 | | |
| 153 | I | 28.7 | Very low | 28.6 | Very low | 155 Ų | 155 | 136.1 Ų | 136.1 | 80% | 0.795 | 77% | 0.769 | S | S | * | * | | | trans | -139.1 | 115 | 154.8 | -67.7 | -170 | 0 | 0 | 0 | 109.9 | | |
| 154 | T | 27.3 | Very low | 28.5 | Very low | 122 Ų | 122 | 131.1 Ų | 131.1 | 75% | 0.748 | 77% | 0.765 | S | S | * | * | | | trans | 39.7 | 131.6 | 153.7 | -10 | 0 | 0 | 0 | 0 | 124.1 | | |
| 155 | T | 26 | Very low | 28.6 | Very low | 118 Ų | 118 | 132.4 Ų | 132.4 | 72% | 0.724 | 77% | 0.771 | S | S | * | * | | | trans | 90.8 | 140 | 141.5 | -13.6 | 0 | 0 | 0 | 0 | 122.5 | | |
| 156 | T | 27.9 | Very low | 28.5 | Very low | 116 Ų | 116 | 127.4 Ų | 127.4 | 71% | 0.712 | 77% | 0.767 | S | S | * | * | | | trans | 93.9 | 113 | 146.1 | 3.9 | 0 | 0 | 0 | 0 | 122.1 | | |
| 157 | T | 27.9 | Very low | 28.3 | Very low | 119 Ų | 119 | 126 Ų | 126 | 73% | 0.73 | 77% | 0.765 | S | S | * | * | | | trans | 69.1 | 98.3 | 143.1 | 31.4 | 0 | 0 | 0 | 0 | 123.2 | | |
| 158 | S | 23.6 | Very low | 28.1 | Very low | 93 Ų | 93 | 122.8 Ų | 122.8 | 65% | 0.65 | 76% | 0.756 | S | S | * | * | | | | 73.1 | 126.5 | 116.9 | 63.2 | 0 | 0 | 0 | 0 | 123.4 | | |
| 159 | T | 26.8 | Very low | 27.9 | Very low | 138 Ų | 138 | 125.4 Ų | 125.4 | 85% | 0.847 | 75% | 0.752 | S | S | * | * | | | trans | 65.5 | 134.2 | 149.6 | 45.4 | 0 | 0 | 0 | 0 | 119.1 | | |
| 160 | A | 26.9 | Very low | 27.7 | Very low | 82 Ų | 82 | 124.7 Ų | 124.7 | 68% | 0.678 | 75% | 0.748 | S | S | * | * | | | cis | -165.6 | 180 | -5.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 161 | V | 26.4 | Very low | 27.3 | Very low | 130 Ų | 130 | 125.1 Ų | 125.1 | 79% | 0.788 | 75% | 0.75 | S | S | * | * | | | trans | 80.3 | 134.6 | 156 | -137.4 | 0 | 0 | 0 | 0 | 121 | | |
| 162 | T | 26.6 | Very low | 27.4 | Very low | 113 Ų | 113 | 127.5 Ų | 127.5 | 69% | 0.693 | 76% | 0.757 | S | S | * | * | | | trans | 80.2 | 102.5 | 147.2 | 21.8 | 0 | 0 | 0 | 0 | 123.5 | | |
| 163 | T | 27.7 | Very low | 27.1 | Very low | 114 Ų | 114 | 126.1 Ų | 126.1 | 70% | 0.699 | 75% | 0.745 | S | S | * | * | | | | 69.6 | 134.6 | 125 | 49.1 | 0 | 0 | 0 | 0 | 124.5 | | |
| 164 | T | 27.4 | Very low | 27.2 | Very low | 131 Ų | 131 | 127.6 Ų | 127.6 | 80% | 0.804 | 75% | 0.746 | S | S | * | * | | | trans | 67.4 | 145.1 | 150.3 | 48.4 | 0 | 0 | 0 | 0 | 118 | | |
| 165 | T | 30.4 | Very low | 27.4 | Very low | 137 Ų | 137 | 126 Ų | 126 | 84% | 0.84 | 74% | 0.74 | S | S | * | * | | | cis | -133.9 | 150.1 | 12.4 | -47.3 | 0 | 0 | 0 | 0 | 111.1 | | |
| 166 | A | 27.4 | Very low | 27.4 | Very low | 97 Ų | 97 | 129.2 Ų | 129.2 | 80% | 0.802 | 75% | 0.751 | S | S | * | * | | | trans | -82.8 | 154.5 | -178 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 167 | T | 26.4 | Very low | 27.5 | Very low | 137 Ų | 137 | 132 Ų | 132 | 84% | 0.84 | 75% | 0.754 | S | S | * | * | | | trans | -103.2 | 149.1 | 161.3 | 42.5 | 0 | 0 | 0 | 0 | 111.4 | | |
| 168 | S | 25.3 | Very low | 27.6 | Very low | 97 Ų | 97 | 131.5 Ų | 131.5 | 68% | 0.678 | 75% | 0.751 | S | S | * | * | | | trans | 78.4 | 101.1 | 139.9 | -174.2 | 0 | 0 | 0 | 0 | 121.9 | | |
| 169 | F | 27.1 | Very low | 27.9 | Very low | 183 Ų | 183 | 135.6 Ų | 135.6 | 80% | 0.803 | 76% | 0.763 | S | S | * | * | | | trans | 76.3 | 124.3 | 130.6 | -80.9 | -97.9 | 0 | 0 | 0 | 123.4 | | |
| 170 | N | 25 | Very low | 27.9 | Very low | 122 Ų | 122 | 136.8 Ų | 136.8 | 65% | 0.652 | 76% | 0.759 | S | S | * | * | | | trans | 52 | 115.8 | 135.3 | -86.2 | -16.4 | 0 | 0 | 0 | 122.8 | | |
| 171 | N | 26.1 | Very low | 28 | Very low | 138 Ų | 138 | 140 Ų | 140 | 74% | 0.738 | 76% | 0.762 | S | S | * | * | | | | 41.7 | 110.4 | 113.8 | -67.4 | -48.8 | 0 | 0 | 0 | 119.5 | | |
| 172 | H | 32.5 | Very low | 28.1 | Very low | 175 Ų | 175 | 140.9 Ų | 140.9 | 81% | 0.81 | 76% | 0.762 | S | S | * | * | | | | -155.5 | 155.4 | 122 | -115.2 | -63.8 | 0 | 0 | 0 | 111.6 | | |
| 173 | E | 26.6 | Very low | 28.2 | Very low | 132 Ų | 132 | 143.4 Ų | 143.4 | 62% | 0.617 | 76% | 0.764 | S | S | * | * | | | trans | -83.5 | 146.2 | -179.1 | -13.5 | 86.3 | 102.1 | 0 | 0 | 112.1 | | |
| 174 | K | 30.6 | Very low | 28.4 | Very low | 186 Ų | 186 | 144.2 Ų | 144.2 | 81% | 0.809 | 76% | 0.764 | S | S | * | * | | | | 175.4 | 167.3 | 125.6 | -93 | 144.6 | -160.8 | 154 | 0 | 112.1 | | |
| 175 | S | 30.1 | Very low | 28.6 | Very low | 89 Ų | 89 | 147.1 Ų | 147.1 | 62% | 0.622 | 77% | 0.765 | S | S | * | * | | | trans | 64 | 79.1 | 169.2 | -176.2 | 0 | 0 | 0 | 0 | 116 | K177 | S175-K177 PolarHBondContact O-N 2.98Å; S175-K177 VanDerWaalsContact O-N 3.16Å |
| 176 | L | 26.6 | Very low | 28.5 | Very low | 185 Ų | 185 | 147.5 Ų | 147.5 | 97% | 0.969 | 77% | 0.767 | S | S | * | * | | | trans | -56.9 | 118.1 | 145.1 | -77 | 90 | 0 | 0 | 0 | 107.8 | | |
| 177 | K | 30.6 | Very low | 28.7 | Very low | 175 Ų | 175 | 149.7 Ų | 149.7 | 76% | 0.761 | 77% | 0.765 | S | S | * | * | | | trans | -142 | 132.8 | 170.1 | -119.9 | -176 | 179.8 | -177.6 | 0 | 110.3 | S175 | S175-K177 PolarHBondContact O-N 2.98Å; S175-K177 VanDerWaalsContact O-N 3.16Å |
| 178 | T | 29.6 | Very low | 28.8 | Very low | 108 Ų | 108 | 149 Ų | 149 | 66% | 0.663 | 77% | 0.766 | S | S | * | * | | | trans | 47.9 | 94.7 | 155.5 | -42.8 | 0 | 0 | 0 | 0 | 116.2 | E180 | T178-E180 HydrophobicContact CG2-CB 4.2Å; T178-E180 PolarHBondContact O-N 3.36Å |
| 179 | I | 30.4 | Very low | 28.9 | Very low | 178 Ų | 178 | 152.6 Ų | 152.6 | 91% | 0.913 | 78% | 0.777 | S | S | * | * | | | trans | -66.1 | 103.8 | 151.7 | -68.1 | 176.7 | 0 | 0 | 0 | 106.8 | M181 | I179-M181 PolarHBondContact O-N 3.49Š|
| 180 | E | 27.5 | Very low | 28.9 | Very low | 163 Ų | 163 | 149 Ų | 149 | 76% | 0.762 | 77% | 0.773 | S | S | * | * | | | trans | -85 | 96.3 | -175.3 | -170 | 169.8 | 177.8 | 0 | 0 | 111.3 | T178 N182 | T178-E180 HydrophobicContact CG2-CB 4.2Å; T178-E180 PolarHBondContact O-N 3.36Å; E180-N182 PolarHBondContact O-N 2.84Å; E180-N182 VanDerWaalsContact O-N 3.13Å |
| 181 | M | 28.2 | Very low | 29.2 | Very low | 150 Ų | 150 | 151.6 Ų | 151.6 | 74% | 0.739 | 78% | 0.781 | S | S | * | * | | | trans | 45.8 | 56.3 | 137.6 | -68.6 | -84.4 | -81.3 | 0 | 0 | 117.7 | I179 K183 | I179-M181 PolarHBondContact O-N 3.49Å; M181-K183 PolarHBondContact O-N 2.89Å; M181-K183 VanDerWaalsContact O-N 3.11Å |
| 182 | N | 28.4 | Very low | 29.3 | Very low | 148 Ų | 148 | 149.7 Ų | 149.7 | 79% | 0.791 | 78% | 0.784 | S | S | * | * | | | trans | -76.1 | 99.2 | 160.7 | -166.6 | -6.2 | 0 | 0 | 0 | 110.4 | E180 N184 | E180-N182 PolarHBondContact O-N 2.84Å; E180-N182 VanDerWaalsContact O-N 3.13Å; N182-N184 PolarHBondContact O-N 3.1Å |
| 183 | K | 29.5 | Very low | 29.2 | Very low | 167 Ų | 167 | 147.5 Ų | 147.5 | 73% | 0.726 | 78% | 0.778 | S | S | * | * | | | trans | -70.3 | 103.9 | 174 | -69.5 | 173.6 | 177.3 | 172.9 | 0 | 111 | M181 | M181-K183 PolarHBondContact O-N 2.89Å; M181-K183 VanDerWaalsContact O-N 3.11Å |
| 184 | N | 30.7 | Very low | 29.6 | Very low | 131 Ų | 131 | 148.7 Ų | 148.7 | 70% | 0.701 | 79% | 0.788 | S | S | * | * | | | trans | -154 | 92 | 146.6 | -86.5 | -47.2 | 0 | 0 | 0 | 108.3 | N182 V186 | N182-N184 PolarHBondContact O-N 3.1Å; N184-V186 PolarHBondContact O-N 2.96Å |
| 185 | K | 31.4 | Very low | 29.7 | Very low | 192 Ų | 192 | 151 Ų | 151 | 84% | 0.835 | 79% | 0.792 | S | S | * | * | | | | 49.6 | 69.7 | 103.2 | -78.1 | -161.5 | 167.3 | -163.1 | 0 | 113.4 | D187 | K185-D187 VanDerWaalsContact C-N 3.31Š|
| 186 | V | 28.7 | Very low | 29.6 | Very low | 144 Ų | 144 | 151.3 Ų | 151.3 | 87% | 0.873 | 79% | 0.794 | S | S | * | * | | | trans | -103.1 | 56.4 | 155.2 | -171 | 0 | 0 | 0 | 0 | 107.5 | N184 | N184-V186 PolarHBondContact O-N 2.96Š|
| 187 | D | 31 | Very low | 30 | Very low | 143 Ų | 143 | 147.4 Ų | 147.4 | 77% | 0.765 | 78% | 0.778 | S | S | * | * | | | trans | -128.7 | 76.2 | -178.8 | -77 | -58.1 | 0 | 0 | 0 | 109 | K185 | K185-D187 VanDerWaalsContact C-N 3.31Š|
| 188 | S | 29.3 | Very low | 30.3 | Very low | 123 Ų | 123 | 140.6 Ų | 140.6 | 86% | 0.86 | 75% | 0.752 | S | S | * | * | | | trans | -168.2 | 50.9 | 162 | -89.8 | 0 | 0 | 0 | 0 | 109.9 | | |
| 189 | L | 27.2 | Very low | 30.3 | Very low | 173 Ų | 173 | 139 Ų | 139 | 91% | 0.906 | 74% | 0.739 | S | S | * | * | | | trans | -128.5 | 50.1 | 167.4 | -162.4 | 74.1 | 0 | 0 | 0 | 110.5 | | |
| 190 | C | 26.2 | Very low | 30.2 | Very low | 106 Ų | 106 | 133.8 Ų | 133.8 | 72% | 0.716 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -143.2 | 124.1 | 170 | -85.1 | 0 | 0 | 0 | 0 | 109 | | |
| 191 | H | 31.6 | Very low | 30.2 | Very low | 178 Ų | 178 | 128.7 Ų | 128.7 | 82% | 0.824 | 69% | 0.694 | S | S | * | * | | | trans | 60.7 | 82.8 | 163.8 | -47.8 | -56.3 | 0 | 0 | 0 | 118.7 | | |
| 192 | A | 27.7 | Very low | 30.4 | Very low | 97 Ų | 97 | 131.8 Ų | 131.8 | 80% | 0.802 | 70% | 0.698 | S | S | * | * | | | trans | -138.4 | 57.9 | 137.3 | 0 | 0 | 0 | 0 | 0 | 108.9 | L194 | A192-L194 PolarHBondContact O-N 3.46Š|
| 193 | D | 31.4 | Very low | 30.6 | Very low | 130 Ų | 130 | 131.2 Ų | 131.2 | 70% | 0.695 | 69% | 0.694 | S | S | * | * | | | trans | -75.2 | 120 | 173.3 | -168.2 | -23.8 | 0 | 0 | 0 | 109.1 | R195 | D193-R195 PolarHBondContact O-N 3.42Å; D193-R195 VanDerWaalsContact O-N 3.16Å; D193-R195 PolarHBondContact OD1-N 3.26Å |
| 194 | L | 34.8 | Very low | 30.6 | Very low | 157 Ų | 157 | 126.8 Ų | 126.8 | 82% | 0.822 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.5 | 12.2 | -175.9 | -78.5 | 160.8 | 0 | 0 | 0 | 113.5 | A192 | A192-L194 PolarHBondContact O-N 3.46Š|
| 195 | R | 32.7 | Very low | 30.6 | Very low | 234 Ų | 234 | 124.6 Ų | 124.6 | 88% | 0.883 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.8 | 31.4 | 177.3 | -84.7 | -176 | 160.2 | 168.9 | -5.4 | 116 | D193 | D193-R195 PolarHBondContact O-N 3.42Å; D193-R195 VanDerWaalsContact O-N 3.16Å; D193-R195 PolarHBondContact OD1-N 3.26Å |
| 196 | S | 28.9 | Very low | 30.4 | Very low | 96 Ų | 96 | 120.6 Ų | 120.6 | 67% | 0.671 | 67% | 0.672 | S | S | * | * | | | trans | -139.5 | 78.5 | 139 | 35.4 | 0 | 0 | 0 | 0 | 111.6 | P198 | S196-P198 VanDerWaalsContact O-CD 3.29Å; S196-P198 WeakPolarHBondContact O-CD 3.46Å |
| 197 | T | 33.9 | Very low | 30.5 | Very low | 102 Ų | 102 | 117.3 Ų | 117.3 | 63% | 0.626 | 67% | 0.667 | S | S | * | * | | | trans | -90.4 | 107.5 | 132.7 | 47.1 | 0 | 0 | 0 | 0 | 110 | N1553 | T197-N1553 PolarHBondContact O-ND2 3.48Š|
| 198 | P | 36.8 | Very low | 30.3 | Very low | 33 Ų | 33 | 119 Ų | 119 | 21% | 0.214 | 67% | 0.667 | C | S | . | * | | | trans | -84.1 | 166 | 158.4 | -20.3 | 40.5 | 0 | 0 | 0 | 110.3 | S196 T1550 C1551 S1552 N1553 | S196-P198 VanDerWaalsContact O-CD 3.29Å; S196-P198 WeakPolarHBondContact O-CD 3.46Å; P198-T1550 VanDerWaalsContact O-O 3.13Å; P198-C1551 HydrophobicContact CB-CB 4.17Å; P198-S1552 VanDerWaalsContact C-N 3.26Å; P198-N1553 HydrophobicContact CB-CB 4.22Å; P198-N1553 VanDerWaalsContact CB-N 3.28Å |
| 199 | L | 30.5 | Very low | 30 | Very low | 75 Ų | 75 | 117.7 Ų | 117.7 | 39% | 0.393 | 66% | 0.664 | S | S | . | * | | | trans | -116.8 | 12 | -157.6 | -88.4 | 161.8 | 0 | 0 | 0 | 119.8 | S201 R202 S1552 | L199-S201 VanDerWaalsContact C-N 3.25Å; L199-S201 PolarHBondContact O-N 3.36Å; L199-R202 PolarHBondContact O-N 2.98Å; L199-S1552 VanDerWaalsContact C-OG 3.24Å; L199-S1552 VanDerWaalsContact CA-OG 3.27Å; L199-S1552 WeakPolarHBondContact CA-OG 3.32Å; L199-S1552 VanDerWaalsContact CB-OG 3.32Å; L199-S1552 WeakPolarHBondContact CB-OG 3.2Å; L199-S1552 PolarHBondContact N-OG 3.32Å; L199-S1552 VanDerWaalsContact N-OG 3.07Å |
| 200 | L | 27.1 | Very low | 30.2 | Very low | 67 Ų | 67 | 115.3 Ų | 115.3 | 35% | 0.351 | 66% | 0.657 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -71.4 | 33.9 | -166.2 | -130.4 | 159.5 | 0 | 0 | 0 | 118.1 | L203 C1551 S1552 | L200-L203 HydrophobicContact CD2-CB 4.3Å; L200-L203 HydrophobicContact CD2-CD1 4.35Å; L200-C1551 VanDerWaalsContact CB-C 3.43Å; L200-C1551 VanDerWaalsContact CB-N 3.26Å; L200-C1551 WeakPolarHBondContact CB-O 3.24Å; L200-C1551 VanDerWaalsContact CD1-O 3.25Å; L200-C1551 WeakPolarHBondContact CD1-O 3.42Å; L200-S1552 PolarHBondContact N-OG 3.37Å |
| 201 | S | 29.2 | Very low | 30.1 | Very low | 56 Ų | 56 | 114.9 Ų | 114.9 | 39% | 0.392 | 66% | 0.656 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -120.2 | 15.2 | 160.2 | 77.4 | 0 | 0 | 0 | 0 | 112.2 | L199 L203 T1550 | L199-S201 VanDerWaalsContact C-N 3.25Å; L199-S201 PolarHBondContact O-N 3.36Å; S201-L203 VanDerWaalsContact C-N 3.27Å; S201-T1550 WeakPolarHBondContact CB-OG1 3.16Å; S201-T1550 WeakPolarHBondContact OG-CG2 3.26Å; S201-T1550 PolarHBondContact OG-OG1 3.2Å |
| 202 | R | 31.9 | Very low | 30 | Very low | 215 Ų | 215 | 113 Ų | 113 | 81% | 0.811 | 66% | 0.656 | S | S | * | * | S | Bend | trans | -87.1 | 5.6 | 156.6 | -79.9 | -174 | 164.4 | -178.4 | -5.5 | 113.2 | L199 | L199-R202 PolarHBondContact O-N 2.98Š|
| 203 | L | 31.3 | Very low | 29.8 | Very low | 136 Ų | 136 | 113.3 Ų | 113.3 | 71% | 0.712 | 65% | 0.648 | S | S | * | * | S | Bend | trans | -119.6 | 8.6 | 174.8 | -65.8 | 176.7 | 0 | 0 | 0 | 113.6 | L200 S201 | L200-L203 HydrophobicContact CD2-CB 4.3Å; L200-L203 HydrophobicContact CD2-CD1 4.35Å; S201-L203 VanDerWaalsContact C-N 3.27Å |
| 204 | L | 29.5 | Very low | 29.3 | Very low | 75 Ų | 75 | 112.2 Ų | 112.2 | 39% | 0.393 | 65% | 0.651 | S | S | . | * | | | trans | -125.4 | 56.1 | 167.2 | -73 | 173.7 | 0 | 0 | 0 | 110.4 | I1543 T1546 | L204-I1543 HydrophobicContact CD1-CG2 3.97Å; L204-I1543 HydrophobicContact CD2-CD1 4.45Å; L204-I1543 HydrophobicContact CD2-CG2 4.21Å; L204-T1546 VanDerWaalsContact CD1-CB 3.44Å; L204-T1546 HydrophobicContact CD1-CG2 3.97Å |
| 205 | A | 31 | Very low | 28.8 | Very low | 84 Ų | 84 | 109.9 Ų | 109.9 | 69% | 0.694 | 65% | 0.647 | S | S | * | * | | | trans | -106.3 | 108 | 151.4 | 0 | 0 | 0 | 0 | 0 | 106.5 | G207 | A205-G207 PolarHBondContact O-N 3.31Š|
| 206 | P | 28.6 | Very low | 28.6 | Very low | 109 Ų | 109 | 103.6 Ų | 103.6 | 71% | 0.708 | 64% | 0.635 | S | S | * | * | | | trans | -69.2 | 68.7 | 176.7 | -22.6 | 36.1 | 0 | 0 | 0 | 112.5 | F208 | P206-F208 VanDerWaalsContact C-N 3.29Å; P206-F208 PolarHBondContact O-N 2.76Å |
| 207 | G | 29.7 | Very low | 28.7 | Very low | 74 Ų | 74 | 106 Ų | 106 | 76% | 0.763 | 64% | 0.64 | S | S | * | * | | | trans | -70.9 | 82.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | A205 A209 | A205-G207 PolarHBondContact O-N 3.31Å; G207-A209 PolarHBondContact O-N 2.85Å |
| 208 | F | 26.6 | Very low | 28.3 | Very low | 178 Ų | 178 | 105.7 Ų | 105.7 | 78% | 0.781 | 64% | 0.643 | S | S | * | * | | | trans | -54.7 | 130 | -178.5 | -100.8 | -101.7 | 0 | 0 | 0 | 112.4 | P206 T210 | P206-F208 VanDerWaalsContact C-N 3.29Å; P206-F208 PolarHBondContact O-N 2.76Å; F208-T210 PolarHBondContact O-N 3.49Å |
| 209 | A | 23.5 | Very low | 28.1 | Very low | 96 Ų | 96 | 110.1 Ų | 110.1 | 79% | 0.793 | 67% | 0.671 | S | S | * | * | | | trans | -75.2 | 102.7 | 161.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | G207 | G207-A209 PolarHBondContact O-N 2.85Š|
| 210 | T | 31 | Very low | 28.3 | Very low | 123 Ų | 123 | 112 Ų | 112 | 76% | 0.755 | 69% | 0.688 | S | S | * | * | | | trans | -103.8 | 108.3 | 158.9 | 52.2 | 0 | 0 | 0 | 0 | 107.3 | F208 | F208-T210 PolarHBondContact O-N 3.49Š|
| 211 | S | 24.5 | Very low | 28.3 | Very low | 98 Ų | 98 | 113.6 Ų | 113.6 | 69% | 0.685 | 71% | 0.705 | S | S | * | * | | | | 67.5 | 56.6 | 54.7 | -158.8 | 0 | 0 | 0 | 0 | 113.9 | | |
| 212 | V | 29.2 | Very low | 28.2 | Very low | 137 Ų | 137 | 115.9 Ų | 115.9 | 83% | 0.83 | 72% | 0.721 | S | S | * | * | | | trans | -136.7 | 96.8 | 145.3 | -178.9 | 0 | 0 | 0 | 0 | 105.2 | | |
| 213 | V | 23.2 | Very low | 28.3 | Very low | 104 Ų | 104 | 113.4 Ų | 113.4 | 63% | 0.63 | 72% | 0.722 | S | S | * | * | | | | 69.4 | 106.2 | 63.4 | -177.8 | 0 | 0 | 0 | 0 | 112.2 | | |
| 214 | S | 22.3 | Very low | 28.2 | Very low | 108 Ų | 108 | 113.8 Ų | 113.8 | 76% | 0.755 | 72% | 0.72 | S | S | * | * | | | trans | 46 | 119.8 | 150.5 | -52.1 | 0 | 0 | 0 | 0 | 117.6 | | |
| 215 | S | 23.9 | Very low | 28.2 | Very low | 107 Ų | 107 | 120.5 Ų | 120.5 | 75% | 0.748 | 74% | 0.74 | S | S | * | * | | | | 171.7 | 174 | 65.4 | 43.8 | 0 | 0 | 0 | 0 | 107.6 | | |
| 216 | T | 28.2 | Very low | 28.1 | Very low | 102 Ų | 102 | 126.3 Ų | 126.3 | 63% | 0.626 | 75% | 0.75 | S | S | * | * | | | cis | -165.3 | 155 | 41.4 | 55.2 | 0 | 0 | 0 | 0 | 111.7 | | |
| 217 | N | 30.2 | Very low | 28.2 | Very low | 146 Ų | 146 | 124.6 Ų | 124.6 | 78% | 0.781 | 75% | 0.752 | S | S | * | * | | | trans | 63.9 | 157.5 | 151.7 | -55.2 | -27 | 0 | 0 | 0 | 118.6 | | |
| 218 | S | 26 | Very low | 28.3 | Very low | 97 Ų | 97 | 126.6 Ų | 126.6 | 68% | 0.678 | 75% | 0.754 | S | S | * | * | | | cis | -165.6 | 143.7 | -31.6 | -92.6 | 0 | 0 | 0 | 0 | 108.1 | | |
| 219 | P | 32.7 | Very low | 28.8 | Very low | 125 Ų | 125 | 125.8 Ų | 125.8 | 81% | 0.812 | 76% | 0.758 | S | S | * | * | | | trans | -87.1 | 146.5 | -173.6 | 33.8 | -35.5 | 0 | 0 | 0 | 114 | | |
| 220 | P | 34.3 | Very low | 29.2 | Very low | 115 Ų | 115 | 130.1 Ų | 130.1 | 75% | 0.747 | 76% | 0.762 | S | S | * | * | | | trans | -99.1 | 113.1 | 162.2 | 33.4 | -27.1 | 0 | 0 | 0 | 112.6 | S222 | P220-S222 PolarHBondContact O-N 3.41Š|
| 221 | S | 28.1 | Very low | 29.1 | Very low | 101 Ų | 101 | 129 Ų | 129 | 71% | 0.706 | 76% | 0.759 | S | S | * | * | | | trans | -1.9 | 115.9 | 136.9 | 53.1 | 0 | 0 | 0 | 0 | 116.4 | | |
| 222 | S | 26.4 | Very low | 29.1 | Very low | 104 Ų | 104 | 134.6 Ų | 134.6 | 73% | 0.727 | 77% | 0.766 | S | S | * | * | | | | 60.6 | 99.4 | 78.6 | 79.5 | 0 | 0 | 0 | 0 | 116.1 | P220 | P220-S222 PolarHBondContact O-N 3.41Š|
| 223 | I | 33.1 | Very low | 29.1 | Very low | 163 Ų | 163 | 133.6 Ų | 133.6 | 84% | 0.836 | 76% | 0.761 | S | S | * | * | | | trans | -167.3 | 107 | 149.6 | -97.6 | 145.3 | 0 | 0 | 0 | 106.2 | | |
| 224 | Q | 29.8 | Very low | 29.2 | Very low | 143 Ų | 143 | 133.8 Ų | 133.8 | 67% | 0.668 | 77% | 0.767 | S | S | * | * | | | | 78.4 | 116.1 | 83.6 | -115.9 | -166.9 | 83.3 | 0 | 0 | 116.2 | | |
| 225 | R | 29.9 | Very low | 29.5 | Very low | 216 Ų | 216 | 133.7 Ų | 133.7 | 82% | 0.815 | 77% | 0.766 | S | S | * | * | | | trans | 76.1 | 157 | 157.1 | -54 | 175.8 | -169.8 | -142.3 | -0.7 | 118.8 | | |
| 226 | K | 29.6 | Very low | 29.7 | Very low | 207 Ų | 207 | 136.8 Ų | 136.8 | 90% | 0.9 | 77% | 0.769 | S | S | * | * | | | cis | -170.4 | 134.1 | -40 | -153.3 | -177.3 | -174.7 | -172 | 0 | 109.4 | | |
| 227 | G | 31 | Very low | 29.7 | Very low | 73 Ų | 73 | 138.3 Ų | 138.3 | 75% | 0.753 | 77% | 0.773 | S | S | * | * | | | trans | 90.5 | 160.2 | 170.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 228 | S | 31.9 | Very low | 29.9 | Very low | 115 Ų | 115 | 138.5 Ų | 138.5 | 80% | 0.804 | 77% | 0.774 | S | S | * | * | | | cis | 141.2 | 72.9 | -12.3 | 171.1 | 0 | 0 | 0 | 0 | 109.3 | | |
| 229 | D | 35.1 | Very low | 29.8 | Very low | 162 Ų | 162 | 144.1 Ų | 144.1 | 87% | 0.866 | 78% | 0.781 | S | S | * | * | | | trans | -99.6 | 119.8 | 175.6 | -71.2 | -54 | 0 | 0 | 0 | 111.8 | | |
| 230 | Q | 32.4 | Very low | 29.7 | Very low | 187 Ų | 187 | 143.6 Ų | 143.6 | 87% | 0.874 | 78% | 0.78 | S | S | * | * | | | trans | -156.3 | 159.3 | 153.4 | -87.3 | -143.9 | 18.7 | 0 | 0 | 111.2 | | |
| 231 | S | 28.6 | Very low | 29.3 | Very low | 100 Ų | 100 | 143.9 Ų | 143.9 | 70% | 0.699 | 78% | 0.784 | S | S | * | * | | | trans | 74.3 | 101.8 | 159.7 | 51.6 | 0 | 0 | 0 | 0 | 121.5 | | |
| 232 | Y | 25.7 | Very low | 29.5 | Very low | 214 Ų | 214 | 142.5 Ų | 142.5 | 84% | 0.839 | 79% | 0.787 | S | S | * | * | | | trans | 92.8 | 117.6 | 130.7 | -86.4 | -104.4 | 0 | 0 | 0 | 123 | | |
| 233 | T | 28.9 | Very low | 29.5 | Very low | 117 Ų | 117 | 145.3 Ų | 145.3 | 72% | 0.718 | 79% | 0.792 | S | S | * | * | | | trans | 60.2 | 123.7 | 144.4 | 53 | 0 | 0 | 0 | 0 | 119.9 | | |
| 234 | S | 25.4 | Very low | 29.5 | Very low | 107 Ų | 107 | 145.7 Ų | 145.7 | 75% | 0.748 | 80% | 0.795 | S | S | * | * | | | cis | 102 | 91 | 26.4 | 76.7 | 0 | 0 | 0 | 0 | 115.6 | | |
| 235 | S | 28 | Very low | 29.4 | Very low | 107 Ų | 107 | 144 Ų | 144 | 75% | 0.748 | 80% | 0.799 | S | S | * | * | | | trans | -173.6 | 105.4 | 156 | 54.2 | 0 | 0 | 0 | 0 | 107 | | |
| 236 | E | 29.2 | Very low | 29.4 | Very low | 172 Ų | 172 | 139.7 Ų | 139.7 | 80% | 0.804 | 80% | 0.802 | S | S | * | * | | | | 78.5 | 129.2 | 89.9 | -84 | -161 | 92.6 | 0 | 0 | 115.4 | | |
| 237 | N | 27.1 | Very low | 29.3 | Very low | 134 Ų | 134 | 135.1 Ų | 135.1 | 72% | 0.717 | 80% | 0.797 | S | S | * | * | | | trans | 44.4 | 115.1 | 155.6 | -58.3 | -48.9 | 0 | 0 | 0 | 119.5 | | |
| 238 | D | 33.8 | Very low | 29.1 | Very low | 149 Ų | 149 | 139.1 Ų | 139.1 | 80% | 0.797 | 80% | 0.8 | S | S | * | * | | | | -149 | 165.6 | 107 | -134.9 | -26.2 | 0 | 0 | 0 | 114.7 | | |
| 239 | R | 24.9 | Very low | 29.2 | Very low | 216 Ų | 216 | 138.5 Ų | 138.5 | 82% | 0.815 | 79% | 0.794 | S | S | * | * | | | trans | -97 | 145.5 | -166.9 | -55.7 | 135.9 | 148.5 | 175.2 | -7.8 | 112.7 | | |
| 240 | S | 30.6 | Very low | 28.8 | Very low | 114 Ų | 114 | 139.8 Ų | 139.8 | 80% | 0.797 | 79% | 0.794 | S | S | * | * | | | trans | 174.3 | 127.3 | 131 | 30.9 | 0 | 0 | 0 | 0 | 109.6 | | |
| 241 | S | 26.8 | Very low | 28.7 | Very low | 120 Ų | 120 | 138 Ų | 138 | 84% | 0.839 | 80% | 0.796 | S | S | * | * | | | | 97.4 | 98.4 | 59.1 | -65.9 | 0 | 0 | 0 | 0 | 112 | | |
| 242 | G | 30.3 | Very low | 28.6 | Very low | 73 Ų | 73 | 140.9 Ų | 140.9 | 75% | 0.753 | 80% | 0.803 | S | S | * | * | | | trans | 164.9 | 82.4 | -176.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 243 | L | 28.1 | Very low | 28.6 | Very low | 162 Ų | 162 | 138 Ų | 138 | 85% | 0.848 | 80% | 0.801 | S | S | * | * | | | cis | 69.3 | 53.6 | 44.6 | -68.6 | 177 | 0 | 0 | 0 | 115.1 | | |
| 244 | L | 33.2 | Very low | 28.7 | Very low | 171 Ų | 171 | 138.4 Ų | 138.4 | 90% | 0.895 | 81% | 0.809 | S | S | * | * | | | trans | -122 | 117.6 | 136.9 | -64.8 | 173.6 | 0 | 0 | 0 | 106.1 | | |
| 245 | S | 26.9 | Very low | 29 | Very low | 108 Ų | 108 | 141.8 Ų | 141.8 | 76% | 0.755 | 81% | 0.813 | S | S | * | * | | | | 81.2 | 70.1 | 55.2 | -174.7 | 0 | 0 | 0 | 0 | 114.5 | | |
| 246 | S | 29.8 | Very low | 28.9 | Very low | 126 Ų | 126 | 142.4 Ų | 142.4 | 88% | 0.881 | 81% | 0.812 | S | S | * | * | | | | -168.8 | 165.3 | 125.9 | 49.2 | 0 | 0 | 0 | 0 | 111 | | |
| 247 | S | 27 | Very low | 28.7 | Very low | 111 Ų | 111 | 143.6 Ų | 143.6 | 78% | 0.776 | 81% | 0.814 | S | S | * | * | | | trans | -134.1 | 174.7 | -171.7 | 54.6 | 0 | 0 | 0 | 0 | 112.6 | | |
| 248 | N | 26.6 | Very low | 28.9 | Very low | 156 Ų | 156 | 149.5 Ų | 149.5 | 83% | 0.834 | 83% | 0.827 | S | S | * | * | | | trans | 78.9 | 151.7 | 174.8 | -92.9 | 5.3 | 0 | 0 | 0 | 118 | | |
| 249 | P | 35.2 | Very low | 28.5 | Very low | 102 Ų | 102 | 152 Ų | 152 | 66% | 0.662 | 83% | 0.834 | S | S | * | * | | | | -142.1 | -172.8 | -123.6 | 42.7 | -22.6 | 0 | 0 | 0 | 116 | | |
| 250 | Q | 25.6 | Very low | 28.8 | Very low | 189 Ų | 189 | 144.7 Ų | 144.7 | 88% | 0.883 | 83% | 0.826 | S | S | * | * | | | trans | 11.8 | 114.1 | 152.7 | -65.8 | -177.9 | -11.6 | 0 | 0 | 119 | | |
| 251 | V | 31.2 | Very low | 28.7 | Very low | 149 Ų | 149 | 146.2 Ų | 146.2 | 90% | 0.903 | 82% | 0.823 | S | S | * | * | | | trans | -129.6 | 146.7 | 132.8 | 179.5 | 0 | 0 | 0 | 0 | 107.5 | | |
| 252 | L | 27.4 | Very low | 28.7 | Very low | 161 Ų | 161 | 147.7 Ų | 147.7 | 84% | 0.843 | 82% | 0.817 | S | S | * | * | | | trans | -77 | 166.2 | -173.9 | -83.9 | 133.6 | 0 | 0 | 0 | 114.1 | | |
| 253 | L | 25.3 | Very low | 28.7 | Very low | 155 Ų | 155 | 152.7 Ų | 152.7 | 81% | 0.812 | 82% | 0.818 | S | S | * | * | | | trans | -59.8 | 153.8 | 168.6 | -62.4 | 93.3 | 0 | 0 | 0 | 111.9 | | |
| 254 | S | 30.4 | Very low | 28.7 | Very low | 125 Ų | 125 | 148 Ų | 148 | 87% | 0.874 | 81% | 0.81 | S | S | * | * | | | trans | -150.7 | 142.9 | 154.3 | -74.2 | 0 | 0 | 0 | 0 | 108.8 | | |
| 255 | E | 30.9 | Very low | 28.7 | Very low | 178 Ų | 178 | 147.3 Ų | 147.3 | 83% | 0.832 | 81% | 0.806 | S | S | * | * | | | trans | -93.5 | 141.9 | -158.3 | -69.9 | 177.9 | 100.7 | 0 | 0 | 115.5 | | |
| 256 | T | 27.4 | Very low | 28.9 | Very low | 119 Ų | 119 | 147.4 Ų | 147.4 | 73% | 0.73 | 80% | 0.802 | S | S | * | * | | | | 43.8 | 96.2 | 129.2 | -44.9 | 0 | 0 | 0 | 0 | 119.1 | | |
| 257 | K | 25.4 | Very low | 29 | Very low | 197 Ų | 197 | 148.3 Ų | 148.3 | 86% | 0.857 | 80% | 0.797 | S | S | * | * | | | | 173.3 | 122.7 | 126.6 | -99.1 | 166.5 | -176.9 | 176.6 | 0 | 113.5 | | |
| 258 | R | 29.3 | Very low | 29.4 | Very low | 259 Ų | 259 | 147.4 Ų | 147.4 | 98% | 0.977 | 79% | 0.79 | S | S | * | * | | | trans | -171.8 | 160.1 | 144.1 | -103.9 | 158.6 | -160 | -102.6 | 1.5 | 110 | | |
| 259 | Q | 26.3 | Very low | 29.6 | Very low | 201 Ų | 201 | 145 Ų | 145 | 94% | 0.939 | 79% | 0.786 | S | S | * | * | | | trans | -147.8 | 135.7 | -166.4 | -173.6 | 174.5 | 6.7 | 0 | 0 | 108.4 | | |
| 260 | G | 30.3 | Very low | 29.5 | Very low | 63 Ų | 63 | 147.7 Ų | 147.7 | 65% | 0.649 | 79% | 0.787 | S | S | * | * | | | trans | 171.3 | 122.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 118.3 | | |
| 261 | I | 28.9 | Very low | 30 | Very low | 146 Ų | 146 | 146.6 Ų | 146.6 | 75% | 0.749 | 78% | 0.78 | S | S | * | * | | | | 76.3 | 112.8 | 125.1 | -62.5 | 165.2 | 0 | 0 | 0 | 120.3 | | |
| 262 | E | 27.4 | Very low | 30 | Very low | 150 Ų | 150 | 141.9 Ų | 141.9 | 70% | 0.701 | 75% | 0.754 | S | S | * | * | | | trans | 39.6 | 137.7 | 137.5 | -53.7 | 178.2 | 110.2 | 0 | 0 | 123.6 | | |
| 263 | F | 31.2 | Very low | 30.6 | Very low | 178 Ų | 178 | 140.7 Ų | 140.7 | 78% | 0.781 | 74% | 0.742 | S | S | * | * | | | | 167.4 | 124.8 | 98.1 | -98.9 | -72.6 | 0 | 0 | 0 | 116.1 | | |
| 264 | G | 26.8 | Very low | 31 | Very low | 65 Ų | 65 | 139.8 Ų | 139.8 | 67% | 0.67 | 73% | 0.731 | S | S | * | * | | | | 78.6 | 122.1 | 115 | 0 | 0 | 0 | 0 | 0 | 125.9 | | |
| 265 | L | 33.9 | Very low | 31.1 | Very low | 156 Ų | 156 | 135.3 Ų | 135.3 | 82% | 0.817 | 70% | 0.7 | S | S | * | * | | | | 95.5 | 99.9 | 122.1 | -59 | 177.6 | 0 | 0 | 0 | 125.3 | | |
| 266 | T | 30.1 | Very low | 31.2 | Very low | 109 Ų | 109 | 133 Ų | 133 | 67% | 0.669 | 69% | 0.689 | S | S | * | * | | | | 71.4 | 151.6 | 121.6 | 63.6 | 0 | 0 | 0 | 0 | 126.4 | | |
| 267 | N | 33.1 | Very low | 31.4 | Very low | 145 Ų | 145 | 134.3 Ų | 134.3 | 78% | 0.775 | 69% | 0.687 | S | S | * | * | | | trans | 82.7 | 149.5 | 149.3 | -68.1 | -32.7 | 0 | 0 | 0 | 121.3 | | |
| 268 | S | 34.2 | Very low | 31.7 | Very low | 92 Ų | 92 | 130.9 Ų | 130.9 | 64% | 0.643 | 68% | 0.682 | S | S | * | * | | | cis | -175.4 | 152.2 | -22.9 | 57.1 | 0 | 0 | 0 | 0 | 114.5 | | |
| 269 | S | 31.6 | Very low | 31.7 | Very low | 106 Ų | 106 | 124.1 Ų | 124.1 | 74% | 0.741 | 68% | 0.675 | S | S | * | * | | | trans | 71.9 | 163.7 | 147.6 | 89.6 | 0 | 0 | 0 | 0 | 119.9 | | |
| 270 | K | 32.8 | Very low | 31.8 | Very low | 158 Ų | 158 | 119.9 Ų | 119.9 | 69% | 0.687 | 67% | 0.667 | S | S | * | * | | | cis | -169.6 | 159 | -11 | -129.8 | 171.4 | 169.5 | 174.6 | 0 | 113.8 | | |
| 271 | F | 35.8 | Very low | 31.5 | Very low | 167 Ų | 167 | 128.5 Ų | 128.5 | 73% | 0.732 | 68% | 0.681 | S | S | * | * | | | trans | 67.5 | 162.3 | 155.2 | -65.1 | -52.4 | 0 | 0 | 0 | 121.4 | | |
| 272 | S | 31.9 | Very low | 31.6 | Very low | 50 Ų | 50 | 128.9 Ų | 128.9 | 35% | 0.35 | 68% | 0.684 | S | S | . | * | | | cis | 161.9 | 157.8 | -41.6 | 170.5 | 0 | 0 | 0 | 0 | 113.7 | D459 | S272-D459 WeakPolarHBondContact CA-OD2 3.23Å; S272-D459 WeakPolarHBondContact CB-OD2 3.33Å; S272-D459 PolarHBondContact OG-OD1 3.3Å; S272-D459 PolarHBondContact OG-OD2 3.17Å |
| 273 | K | 40.4 | Very low | 31.5 | Very low | 135 Ų | 135 | 126.7 Ų | 126.7 | 59% | 0.587 | 69% | 0.685 | S | S | * | * | | | trans | 86.3 | 143.3 | 158.1 | -85.5 | 154.9 | -170 | 169.3 | 0 | 120.4 | D459 D460 | K273-D459 WeakPolarHBondContact CA-OD1 3.46Å; K273-D459 PolarHBondContact N-OD1 3.02Å; K273-D460 VanDerWaalsContact C-OD1 3.29Å; K273-D460 VanDerWaalsContact CA-CG 3.46Å; K273-D460 WeakPolarHBondContact CA-OD1 2.98Å; K273-D460 WeakPolarHBondContact CA-OD2 3.5Å; K273-D460 PolarHBondContact N-OD2 2.88Å |
| 274 | K | 33.3 | Very low | 31.8 | Very low | 136 Ų | 136 | 124 Ų | 124 | 59% | 0.591 | 69% | 0.686 | S | S | * | * | | | cis | -157.8 | 122.9 | 18.8 | -150.8 | -144.6 | 170.3 | -158 | 0 | 119.4 | D460 N461 | K274-D460 WeakPolarHBondContact CA-OD1 3.13Å; K274-D460 PolarHBondContact N-OD1 3.25Å; K274-D460 PolarHBondContact N-OD2 3.09Å; K274-N461 WeakPolarHBondContact O-CB 3.3Å; K274-N461 PolarHBondContact O-ND2 2.98Å |
| 275 | S | 32.1 | Very low | 31.7 | Very low | 31 Ų | 31 | 126.5 Ų | 126.5 | 22% | 0.217 | 69% | 0.693 | C | S | . | * | | | trans | 47 | 144.4 | 136.4 | 74.7 | 0 | 0 | 0 | 0 | 128.8 | D460 N461 | S275-D460 PolarHBondContact N-OD1 3.18Å; S275-D460 VanDerWaalsContact N-OD1 3.11Å; S275-N461 PolarHBondContact O-ND2 2.77Å; S275-N461 VanDerWaalsContact O-ND2 3.15Å; S275-N461 PolarHBondContact O-OD1 3.39Å |
| 276 | H | 33.6 | Very low | 31.3 | Very low | 130 Ų | 130 | 124.5 Ų | 124.5 | 60% | 0.602 | 69% | 0.692 | S | S | * | * | | | trans | 88.8 | 168.6 | 146.5 | -63.5 | -56.2 | 0 | 0 | 0 | 123.7 | N461 | H276-N461 PolarHBondContact O-OD1 3.25Š|
| 277 | E | 30.4 | Very low | 31.2 | Very low | 147 Ų | 147 | 124 Ų | 124 | 69% | 0.687 | 69% | 0.693 | S | S | * | * | | | | -176.6 | 151.6 | -63.5 | -110.9 | -175.2 | 136.5 | 0 | 0 | 117.2 | | |
| 278 | T | 31.4 | Very low | 30.8 | Very low | 124 Ų | 124 | 123 Ų | 123 | 76% | 0.761 | 69% | 0.692 | S | S | * | * | | | trans | 65.2 | 125.3 | 147.2 | 57.7 | 0 | 0 | 0 | 0 | 125.1 | | |
| 279 | S | 30.9 | Very low | 30.4 | Very low | 118 Ų | 118 | 125.1 Ų | 125.1 | 83% | 0.825 | 70% | 0.696 | S | S | * | * | | | trans | -170.2 | 156.8 | 148.5 | 45.7 | 0 | 0 | 0 | 0 | 108.7 | | |
| 280 | S | 27.8 | Very low | 30.2 | Very low | 112 Ų | 112 | 125.3 Ų | 125.3 | 78% | 0.783 | 69% | 0.693 | S | S | * | * | | | cis | -163.1 | 150.4 | -17.8 | 51.2 | 0 | 0 | 0 | 0 | 109.5 | | |
| 281 | W | 23.1 | Very low | 29.9 | Very low | 244 Ų | 244 | 125.3 Ų | 125.3 | 92% | 0.924 | 70% | 0.695 | S | S | * | * | | | trans | -82.6 | 153.3 | -179 | -81.5 | 34.2 | 0 | 0 | 0 | 114.7 | | |
| 282 | N | 31.2 | Very low | 29.4 | Very low | 154 Ų | 154 | 122 Ų | 122 | 82% | 0.824 | 69% | 0.693 | S | S | * | * | | | trans | -172 | 122.6 | 136.4 | -105.9 | -53.1 | 0 | 0 | 0 | 116 | | |
| 283 | S | 26.5 | Very low | 29.6 | Very low | 103 Ų | 103 | 127 Ų | 127 | 72% | 0.72 | 71% | 0.714 | S | S | * | * | | | trans | 45.3 | 131 | 144.3 | -56.3 | 0 | 0 | 0 | 0 | 124.5 | | |
| 284 | P | 36.3 | Very low | 28.8 | Very low | 123 Ų | 123 | 127 Ų | 127 | 80% | 0.799 | 72% | 0.721 | S | S | * | * | | | trans | -96.3 | 166.6 | 166.4 | 39.4 | -34.9 | 0 | 0 | 0 | 113.5 | | |
| 285 | S | 24.9 | Very low | 28.8 | Very low | 116 Ų | 116 | 125.7 Ų | 125.7 | 81% | 0.811 | 73% | 0.727 | S | S | * | * | | | trans | -171.8 | 162.7 | 161.9 | -92.8 | 0 | 0 | 0 | 0 | 115.1 | | |
| 286 | S | 26.7 | Very low | 28.9 | Very low | 115 Ų | 115 | 131.2 Ų | 131.2 | 80% | 0.804 | 75% | 0.754 | S | S | * | * | | | trans | 71.5 | 148.2 | 172.1 | 82 | 0 | 0 | 0 | 0 | 116.1 | | |
| 287 | S | 27.4 | Very low | 28.7 | Very low | 99 Ų | 99 | 135.7 Ų | 135.7 | 69% | 0.692 | 77% | 0.766 | S | S | * | * | | | cis | 172.4 | 151.8 | -19.3 | 52.6 | 0 | 0 | 0 | 0 | 106.5 | | |
| 288 | T | 25.3 | Very low | 28.5 | Very low | 124 Ų | 124 | 139.6 Ų | 139.6 | 76% | 0.761 | 77% | 0.774 | S | S | * | * | | | cis | -175.5 | 161.8 | -7.3 | 26.2 | 0 | 0 | 0 | 0 | 106.3 | | |
| 289 | N | 24.9 | Very low | 28.5 | Very low | 135 Ų | 135 | 141 Ų | 141 | 72% | 0.722 | 77% | 0.773 | S | S | * | * | | | trans | 71 | 152.6 | 159.3 | -111.3 | -15.9 | 0 | 0 | 0 | 115.4 | | |
| 290 | V | 28.1 | Very low | 28.5 | Very low | 110 Ų | 110 | 140 Ų | 140 | 67% | 0.667 | 77% | 0.765 | S | S | * | * | | | cis | -134.9 | 128 | 11.1 | 178.5 | 0 | 0 | 0 | 0 | 111 | | |
| 291 | Q | 26.4 | Very low | 28.6 | Very low | 159 Ų | 159 | 141.9 Ų | 141.9 | 74% | 0.743 | 77% | 0.765 | S | S | * | * | | | trans | 26 | 153.5 | 140.7 | -56.1 | 169.5 | -17.7 | 0 | 0 | 122 | | |
| 292 | S | 25.7 | Very low | 29 | Very low | 98 Ų | 98 | 138 Ų | 138 | 69% | 0.685 | 76% | 0.762 | S | S | * | * | | | cis | -178.3 | -173.2 | -13.8 | -89.5 | 0 | 0 | 0 | 0 | 107.9 | | |
| 293 | I | 34.4 | Very low | 28.7 | Very low | 153 Ų | 153 | 142 Ų | 142 | 79% | 0.785 | 77% | 0.766 | S | S | * | * | | | trans | 73.6 | 91.4 | 177 | -45.6 | 163.9 | 0 | 0 | 0 | 110.6 | | |
| 294 | N | 24.2 | Very low | 28.6 | Very low | 137 Ų | 137 | 141 Ų | 141 | 73% | 0.733 | 76% | 0.758 | S | S | * | * | | | cis | 56.7 | 95.9 | 36 | -174.9 | 17 | 0 | 0 | 0 | 114.3 | | |
| 295 | C | 34 | Very low | 28.3 | Very low | 108 Ų | 108 | 142.2 Ų | 142.2 | 73% | 0.73 | 76% | 0.758 | S | S | * | * | | | trans | -155.4 | 55.6 | 154.3 | -113.2 | 0 | 0 | 0 | 0 | 110.3 | W297 | C295-W297 PolarHBondContact O-N 2.84Š|
| 296 | D | 33.5 | Very low | 28.4 | Very low | 146 Ų | 146 | 145.8 Ų | 145.8 | 78% | 0.781 | 76% | 0.759 | S | S | * | * | | | trans | -65.2 | 116.8 | 171.4 | -87.8 | -39.1 | 0 | 0 | 0 | 110.3 | R298 | D296-R298 VanDerWaalsContact C-N 3.35Å; D296-R298 PolarHBondContact O-N 3.05Å |
| 297 | W | 28.8 | Very low | 28.5 | Very low | 224 Ų | 224 | 145.5 Ų | 145.5 | 85% | 0.848 | 76% | 0.757 | S | S | * | * | | | trans | -72.5 | 86.5 | 178.7 | -87.8 | 79.1 | 0 | 0 | 0 | 111.3 | C295 E299 | C295-W297 PolarHBondContact O-N 2.84Å; W297-E299 PolarHBondContact O-N 2.91Å |
| 298 | R | 27.4 | Very low | 28.7 | Very low | 229 Ų | 229 | 149.3 Ų | 149.3 | 86% | 0.864 | 76% | 0.764 | S | S | * | * | | | trans | -74.6 | 111.8 | 162.3 | -66.2 | 176.5 | 176.9 | -91 | -2.1 | 109.7 | D296 | D296-R298 VanDerWaalsContact C-N 3.35Å; D296-R298 PolarHBondContact O-N 3.05Å |
| 299 | E | 32.1 | Very low | 28.7 | Very low | 155 Ų | 155 | 149.4 Ų | 149.4 | 72% | 0.724 | 76% | 0.764 | S | S | * | * | | | trans | -154.2 | 142.5 | 159.6 | -125.4 | 171.1 | -147.5 | 0 | 0 | 113.1 | W297 | W297-E299 PolarHBondContact O-N 2.91Š|
| 300 | S | 30.2 | Very low | 29.1 | Very low | 96 Ų | 96 | 147.8 Ų | 147.8 | 67% | 0.671 | 76% | 0.761 | S | S | * | * | | | trans | 47.5 | 81.9 | 156.9 | -53.8 | 0 | 0 | 0 | 0 | 117.2 | | |
| 301 | I | 29.6 | Very low | 28.9 | Very low | 152 Ų | 152 | 149.7 Ų | 149.7 | 78% | 0.779 | 77% | 0.766 | S | S | * | * | | | | 47.4 | 101.9 | 71.2 | -48.3 | 172.7 | 0 | 0 | 0 | 112.9 | | |
| 302 | N | 30.6 | Very low | 29.1 | Very low | 162 Ų | 162 | 148 Ų | 148 | 87% | 0.866 | 77% | 0.766 | S | S | * | * | | | | -158 | 162 | 112.3 | -127.1 | -37.8 | 0 | 0 | 0 | 114.3 | | |
| 303 | W | 25.6 | Very low | 29.2 | Very low | 239 Ų | 239 | 150.9 Ų | 150.9 | 91% | 0.905 | 77% | 0.769 | S | S | * | * | | | trans | -109.9 | 156.5 | -169.3 | -133.6 | -58.9 | 0 | 0 | 0 | 112 | | |
| 304 | C | 24.9 | Very low | 28.8 | Very low | 82 Ų | 82 | 148.2 Ų | 148.2 | 55% | 0.554 | 76% | 0.764 | S | S | * | * | | | trans | 61.4 | 113.2 | 146.6 | -156 | 0 | 0 | 0 | 0 | 120.4 | | |
| 305 | N | 30.1 | Very low | 29.2 | Very low | 148 Ų | 148 | 149.2 Ų | 149.2 | 79% | 0.791 | 77% | 0.769 | S | S | * | * | | | | 177.5 | 120.6 | 115.7 | -81.8 | -26.5 | 0 | 0 | 0 | 107.3 | | |
| 306 | K | 26.8 | Very low | 29 | Very low | 191 Ų | 191 | 154 Ų | 154 | 83% | 0.83 | 78% | 0.778 | S | S | * | * | | | | 58.5 | 89 | 56.3 | -74.2 | -166 | 173.4 | -176.8 | 0 | 115.2 | | |
| 307 | S | 28.7 | Very low | 28.7 | Very low | 109 Ų | 109 | 154.7 Ų | 154.7 | 76% | 0.762 | 78% | 0.781 | S | S | * | * | | | | -175.5 | 157.8 | 125.9 | 56.5 | 0 | 0 | 0 | 0 | 113.3 | | |
| 308 | E | 31.4 | Very low | 28.6 | Very low | 178 Ų | 178 | 152.9 Ų | 152.9 | 83% | 0.832 | 78% | 0.782 | S | S | * | * | | | trans | 62.8 | 81.9 | 154.8 | -68.9 | 176.6 | 145.2 | 0 | 0 | 121.5 | | |
| 309 | T | 25.2 | Very low | 28.6 | Very low | 126 Ų | 126 | 147.1 Ų | 147.1 | 77% | 0.773 | 78% | 0.777 | S | S | * | * | | | | -39.9 | 165.5 | 120.9 | 46.7 | 0 | 0 | 0 | 0 | 115.2 | | |
| 310 | P | 33.2 | Very low | 28.9 | Very low | 102 Ų | 102 | 145.9 Ų | 145.9 | 66% | 0.662 | 78% | 0.783 | S | S | * | * | | | cis | -143.4 | -163.7 | -22.3 | 36.9 | -15 | 0 | 0 | 0 | 113.7 | | |
| 311 | I | 24.8 | Very low | 28.7 | Very low | 150 Ų | 150 | 147.8 Ų | 147.8 | 77% | 0.769 | 79% | 0.785 | S | S | * | * | | | trans | 65.4 | 111.5 | 160.2 | -56.4 | 160.4 | 0 | 0 | 0 | 116.7 | | |
| 312 | V | 30.1 | Very low | 28.6 | Very low | 122 Ų | 122 | 148.9 Ų | 148.9 | 74% | 0.739 | 79% | 0.785 | S | S | * | * | | | | -157.6 | 127.4 | 110 | 143.1 | 0 | 0 | 0 | 0 | 110.2 | | |
| 313 | Q | 28.4 | Very low | 28.6 | Very low | 160 Ų | 160 | 149.7 Ų | 149.7 | 75% | 0.748 | 78% | 0.783 | S | S | * | * | | | trans | 27.7 | 102.1 | 157.5 | -64.8 | 170.7 | -43.5 | 0 | 0 | 120 | N315 | Q313-N315 PolarHBondContact O-N 2.77Š|
| 314 | S | 26.4 | Very low | 28.7 | Very low | 97 Ų | 97 | 143.1 Ų | 143.1 | 68% | 0.678 | 77% | 0.771 | S | S | * | * | | | | 23.7 | 92.5 | 112.7 | 62.1 | 0 | 0 | 0 | 0 | 117.8 | | |
| 315 | N | 31.2 | Very low | 28.9 | Very low | 158 Ų | 158 | 144 Ų | 144 | 85% | 0.845 | 78% | 0.778 | S | S | * | * | | | trans | -144.7 | 78.7 | 135.3 | -97.1 | -42.4 | 0 | 0 | 0 | 108.1 | Q313 N317 | Q313-N315 PolarHBondContact O-N 2.77Å; N315-N317 PolarHBondContact O-N 2.64Å |
| 316 | K | 29.2 | Very low | 29 | Very low | 208 Ų | 208 | 143.4 Ų | 143.4 | 90% | 0.904 | 78% | 0.782 | S | S | * | * | | | trans | -67.6 | 99 | 174.8 | -85.3 | -168.9 | 172.9 | -175.9 | 0 | 108.9 | Q318 | K316-Q318 PolarHBondContact O-N 3.4Š|
| 317 | N | 28.7 | Very low | 29.2 | Very low | 160 Ų | 160 | 140.5 Ų | 140.5 | 86% | 0.856 | 78% | 0.776 | S | S | * | * | | | trans | -59.9 | 105.7 | 158.7 | -70.2 | -60.9 | 0 | 0 | 0 | 108.1 | N315 | N315-N317 PolarHBondContact O-N 2.64Š|
| 318 | Q | 26.9 | Very low | 29.3 | Very low | 187 Ų | 187 | 140.2 Ų | 140.2 | 87% | 0.874 | 77% | 0.774 | S | S | * | * | | | trans | -100.7 | 83.7 | 168 | -147.7 | 172 | 13 | 0 | 0 | 108.5 | K316 | K316-Q318 PolarHBondContact O-N 3.4Š|
| 319 | S | 26.2 | Very low | 29.2 | Very low | 108 Ų | 108 | 139.9 Ų | 139.9 | 76% | 0.755 | 77% | 0.773 | S | S | * | * | | | trans | -145.6 | 142.8 | 164.2 | -78.5 | 0 | 0 | 0 | 0 | 107.9 | | |
| 320 | P | 38.7 | Very low | 29.6 | Very low | 129 Ų | 129 | 140.1 Ų | 140.1 | 84% | 0.838 | 78% | 0.778 | S | S | * | * | | | | -93.2 | 163.2 | -129 | 33.6 | -37.7 | 0 | 0 | 0 | 113.5 | | |
| 321 | N | 27 | Very low | 29.2 | Very low | 136 Ų | 136 | 146.2 Ų | 146.2 | 73% | 0.727 | 79% | 0.788 | S | S | * | * | | | trans | -149.3 | 141 | 174.2 | -131 | -8.2 | 0 | 0 | 0 | 112.3 | | |
| 322 | F | 26 | Very low | 29.4 | Very low | 175 Ų | 175 | 150 Ų | 150 | 77% | 0.768 | 79% | 0.792 | S | S | * | * | | | trans | 44.5 | 104.8 | 167.6 | -61.7 | -74.5 | 0 | 0 | 0 | 120 | | |
| 323 | Q | 31 | Very low | 29.4 | Very low | 179 Ų | 179 | 148.9 Ų | 148.9 | 84% | 0.836 | 79% | 0.786 | S | S | * | * | | | | -157.1 | 109.8 | 109 | -156.9 | 169.5 | 8.7 | 0 | 0 | 111.4 | | |
| 324 | P | 28.7 | Very low | 29.3 | Very low | 100 Ų | 100 | 149.4 Ų | 149.4 | 65% | 0.649 | 79% | 0.79 | S | S | * | * | | | trans | -107.4 | 104.9 | 166.5 | 33 | -22.4 | 0 | 0 | 0 | 110.4 | | |
| 325 | S | 29.1 | Very low | 29.5 | Very low | 100 Ų | 100 | 149.2 Ų | 149.2 | 70% | 0.699 | 79% | 0.786 | S | S | * | * | | | trans | -63.8 | 140.5 | 170.7 | -64.1 | 0 | 0 | 0 | 0 | 111 | D327 | S325-D327 VanDerWaalsContact C-N 3.34Å; S325-D327 PolarHBondContact O-N 3.35Å |
| 326 | P | 31.7 | Very low | 29.2 | Very low | 136 Ų | 136 | 146.3 Ų | 146.3 | 88% | 0.883 | 78% | 0.778 | S | S | * | * | | | trans | -83.3 | 75.7 | -177.5 | 34.8 | -35.9 | 0 | 0 | 0 | 111.4 | | |
| 327 | D | 30.9 | Very low | 29.4 | Very low | 131 Ų | 131 | 144 Ų | 144 | 70% | 0.701 | 77% | 0.773 | S | S | * | * | | | trans | -110.9 | 95 | 159.2 | -143.5 | -29.1 | 0 | 0 | 0 | 111.9 | S325 Q329 | S325-D327 VanDerWaalsContact C-N 3.34Å; S325-D327 PolarHBondContact O-N 3.35Å; D327-Q329 VanDerWaalsContact C-N 3.28Å; D327-Q329 PolarHBondContact O-N 2.88Å |
| 328 | S | 31.4 | Very low | 29.3 | Very low | 103 Ų | 103 | 144.6 Ų | 144.6 | 72% | 0.72 | 77% | 0.771 | S | S | * | * | S | Bend | trans | 52.1 | 0.9 | 147.5 | 63.1 | 0 | 0 | 0 | 0 | 122.3 | C330 | S328-C330 PolarHBondContact O-N 3.04Š|
| 329 | Q | 29.7 | Very low | 29.7 | Very low | 171 Ų | 171 | 147 Ų | 147 | 80% | 0.799 | 77% | 0.772 | S | S | * | * | | | trans | -79 | 92 | 169.8 | -67.5 | -157.4 | 14.8 | 0 | 0 | 112.4 | D327 W331 | D327-Q329 VanDerWaalsContact C-N 3.28Å; D327-Q329 PolarHBondContact O-N 2.88Å; Q329-W331 PolarHBondContact O-N 3.36Å |
| 330 | C | 32.3 | Very low | 29.8 | Very low | 131 Ų | 131 | 150 Ų | 150 | 89% | 0.885 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 130.1 | 169.8 | -68.2 | 0 | 0 | 0 | 0 | 111.4 | S328 | S328-C330 PolarHBondContact O-N 3.04Š|
| 331 | W | 25.9 | Very low | 29.6 | Very low | 229 Ų | 229 | 151.7 Ų | 151.7 | 87% | 0.867 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -79 | 146.6 | -158.2 | -85.9 | 68.8 | 0 | 0 | 0 | 115.7 | Q329 | Q329-W331 PolarHBondContact O-N 3.36Š|
| 332 | R | 27.9 | Very low | 29.7 | Very low | 229 Ų | 229 | 150.6 Ų | 150.6 | 86% | 0.864 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 167.7 | 156.1 | -55.7 | 172.1 | 177.3 | -177.9 | -1.2 | 110 | | |
| 333 | T | 29.8 | Very low | 29.9 | Very low | 99 Ų | 99 | 149.7 Ų | 149.7 | 61% | 0.607 | 77% | 0.771 | S | S | * | * | | | | 165.3 | 120.3 | 110.4 | -72.6 | 0 | 0 | 0 | 0 | 113.5 | | |
| 334 | M | 26.8 | Very low | 29.8 | Very low | 171 Ų | 171 | 148.3 Ų | 148.3 | 84% | 0.842 | 77% | 0.768 | S | S | * | * | | | trans | 35 | 138 | 149.9 | -60.8 | -172.1 | -77.5 | 0 | 0 | 122.7 | | |
| 335 | T | 30 | Very low | 29.9 | Very low | 94 Ų | 94 | 151.7 Ų | 151.7 | 58% | 0.577 | 78% | 0.779 | S | S | * | * | | | trans | -149.3 | 147.3 | 132.2 | -14.1 | 0 | 0 | 0 | 0 | 110 | | |
| 336 | S | 25.6 | Very low | 29.9 | Very low | 97 Ų | 97 | 152 Ų | 152 | 68% | 0.678 | 78% | 0.779 | S | S | * | * | | | trans | -1.2 | 146.4 | 159.9 | -131.6 | 0 | 0 | 0 | 0 | 118.8 | | |
| 337 | I | 33.3 | Very low | 29.8 | Very low | 158 Ų | 158 | 157.6 Ų | 157.6 | 81% | 0.81 | 78% | 0.783 | S | S | * | * | | | | -146 | 149.4 | 50.4 | -74.5 | 175.4 | 0 | 0 | 0 | 113.5 | | |
| 338 | Q | 27.5 | Very low | 29.8 | Very low | 174 Ų | 174 | 159.9 Ų | 159.9 | 81% | 0.813 | 79% | 0.789 | S | S | * | * | | | trans | -80.8 | 142.3 | 170.7 | -62.1 | 168.4 | -25.3 | 0 | 0 | 113.4 | | |
| 339 | R | 33.6 | Very low | 29.7 | Very low | 238 Ų | 238 | 160.7 Ų | 160.7 | 90% | 0.898 | 80% | 0.795 | S | S | * | * | | | trans | -165.4 | 104.9 | 133.6 | -100.9 | 162.6 | -160.3 | -171.1 | 5.5 | 107 | | |
| 340 | K | 29.8 | Very low | 29.7 | Very low | 169 Ų | 169 | 157.8 Ų | 157.8 | 74% | 0.735 | 79% | 0.793 | S | S | * | * | | | | 43.5 | 101.2 | 89.4 | -84 | -154.6 | 167.6 | -152 | 0 | 113.6 | | |
| 341 | N | 33 | Very low | 29.8 | Very low | 165 Ų | 165 | 156 Ų | 156 | 88% | 0.882 | 78% | 0.782 | S | S | * | * | | | | -142.4 | 133.3 | 116.6 | -106.7 | -7.9 | 0 | 0 | 0 | 108.8 | | |
| 342 | D | 29.9 | Very low | 30.2 | Very low | 113 Ų | 113 | 151.7 Ų | 151.7 | 60% | 0.604 | 78% | 0.776 | S | S | * | * | | | trans | -86.4 | 137 | -178.1 | -51.9 | -84 | 0 | 0 | 0 | 109.9 | | |
| 343 | N | 30.5 | Very low | 30.6 | Very low | 157 Ų | 157 | 147.1 Ų | 147.1 | 84% | 0.84 | 77% | 0.774 | S | S | * | * | | | trans | 178.4 | 79.5 | 144.7 | -91.9 | -29.8 | 0 | 0 | 0 | 113.2 | | |
| 344 | I | 29.5 | Very low | 30.7 | Very low | 149 Ų | 149 | 148 Ų | 148 | 76% | 0.764 | 78% | 0.782 | S | S | * | * | | | trans | 25.3 | 113.8 | 132.3 | -53.3 | 166.4 | 0 | 0 | 0 | 117.7 | | |
| 345 | L | 29 | Very low | 30.8 | Very low | 171 Ų | 171 | 145 Ų | 145 | 90% | 0.895 | 78% | 0.778 | S | S | * | * | | | trans | -129.7 | 144.3 | 136.8 | -91 | 172.5 | 0 | 0 | 0 | 108.6 | | |
| 346 | P | 30 | Very low | 30.9 | Very low | 107 Ų | 107 | 146.2 Ų | 146.2 | 70% | 0.695 | 79% | 0.791 | S | S | * | * | | | trans | -102.8 | 160 | -164.4 | 38.6 | -36.5 | 0 | 0 | 0 | 115.7 | | |
| 347 | R | 30.2 | Very low | 31.1 | Very low | 254 Ų | 254 | 145.9 Ų | 145.9 | 96% | 0.958 | 79% | 0.794 | S | S | * | * | | | trans | -157.4 | 168.9 | 152.4 | -111.1 | 169.9 | -178.2 | -116.7 | -3.3 | 110.8 | | |
| 348 | Q | 30.6 | Very low | 31.2 | Very low | 179 Ų | 179 | 144.1 Ų | 144.1 | 84% | 0.836 | 79% | 0.791 | S | S | * | * | | | trans | -125.4 | 148 | -147.8 | -65.8 | 172.3 | -43.3 | 0 | 0 | 116.9 | | |
| 349 | S | 29.6 | Very low | 31.2 | Very low | 120 Ų | 120 | 144 Ų | 144 | 84% | 0.839 | 79% | 0.79 | S | S | * | * | | | | 49.8 | 173.5 | 126.5 | -47.5 | 0 | 0 | 0 | 0 | 124.9 | | |
| 350 | S | 29.9 | Very low | 31.2 | Very low | 110 Ų | 110 | 139.3 Ų | 139.3 | 77% | 0.769 | 78% | 0.783 | S | S | * | * | | | trans | -163.5 | 171.5 | -171.7 | 64.8 | 0 | 0 | 0 | 0 | 109.1 | | |
| 351 | S | 32.4 | Very low | 31.4 | Very low | 92 Ų | 92 | 140.3 Ų | 140.3 | 64% | 0.643 | 79% | 0.791 | S | S | * | * | | | cis | -175.2 | -171.2 | -16 | 48.3 | 0 | 0 | 0 | 0 | 110 | | |
| 352 | N | 35.4 | Very low | 31.4 | Very low | 140 Ų | 140 | 140.8 Ų | 140.8 | 75% | 0.749 | 79% | 0.789 | S | S | * | * | | | trans | 100.9 | 129.1 | 158.7 | -53.2 | -2.4 | 0 | 0 | 0 | 120.9 | | |
| 353 | T | 36.4 | Very low | 31.9 | Very low | 132 Ų | 132 | 145.1 Ų | 145.1 | 81% | 0.81 | 81% | 0.806 | S | S | * | * | | | trans | 76.5 | 128.1 | 139.7 | 40.8 | 0 | 0 | 0 | 0 | 126.5 | | |
| 354 | C | 31.7 | Very low | 31.8 | Very low | 117 Ų | 117 | 142.1 Ų | 142.1 | 79% | 0.791 | 80% | 0.797 | S | S | * | * | | | trans | 97.7 | 111.3 | 138.4 | -68.7 | 0 | 0 | 0 | 0 | 125.7 | | |
| 355 | S | 30 | Very low | 31.7 | Very low | 108 Ų | 108 | 139.6 Ų | 139.6 | 76% | 0.755 | 79% | 0.793 | S | S | * | * | | | | 78 | 119 | 129 | -57 | 0 | 0 | 0 | 0 | 126.8 | | |
| 356 | S | 30.8 | Very low | 31.6 | Very low | 120 Ų | 120 | 138.4 Ų | 138.4 | 84% | 0.839 | 79% | 0.786 | S | S | * | * | | | trans | 86 | 147.7 | 135.7 | 69.7 | 0 | 0 | 0 | 0 | 124.2 | | |
| 357 | A | 30.9 | Very low | 31.4 | Very low | 91 Ų | 91 | 140.3 Ų | 140.3 | 75% | 0.752 | 79% | 0.79 | S | S | * | * | | | trans | 94 | 91.7 | 163.7 | 0 | 0 | 0 | 0 | 0 | 121.8 | | |
| 358 | T | 33.7 | Very low | 31.6 | Very low | 121 Ų | 121 | 133 Ų | 133 | 74% | 0.742 | 78% | 0.779 | S | S | * | * | | | trans | 29.3 | 130.2 | 135.6 | 55.1 | 0 | 0 | 0 | 0 | 123.6 | | |
| 359 | Q | 29.2 | Very low | 31.7 | Very low | 170 Ų | 170 | 130.3 Ų | 130.3 | 79% | 0.794 | 78% | 0.776 | S | S | * | * | | | trans | 48 | 129.3 | 137.2 | -69.8 | -171.7 | -105.7 | 0 | 0 | 120.1 | | |
| 360 | D | 33.3 | Very low | 31.8 | Very low | 141 Ų | 141 | 127.8 Ų | 127.8 | 75% | 0.754 | 77% | 0.769 | S | S | * | * | | | cis | -132.1 | 160.5 | 19.2 | -73.6 | -48.2 | 0 | 0 | 0 | 113.1 | | |
| 361 | E | 34 | Very low | 32 | Very low | 190 Ų | 190 | 129 Ų | 129 | 89% | 0.888 | 77% | 0.766 | S | S | * | * | | | trans | -94.6 | 97.9 | -165.5 | -60.1 | -175.5 | 141.2 | 0 | 0 | 114.7 | | |
| 362 | M | 32.7 | Very low | 31.9 | Very low | 174 Ų | 174 | 132.7 Ų | 132.7 | 86% | 0.857 | 77% | 0.77 | S | S | * | * | S | Bend | trans | -158.3 | 82.4 | 152.6 | -147.8 | 154.9 | -71.8 | 0 | 0 | 113.7 | S364 | M362-S364 VanDerWaalsContact C-N 3.27Å; M362-S364 PolarHBondContact O-N 2.88Å |
| 363 | E | 39.6 | Very low | 31.9 | Very low | 205 Ų | 205 | 131.1 Ų | 131.1 | 96% | 0.958 | 76% | 0.762 | S | S | * | * | | | trans | 32.5 | 44 | 162.3 | -59.5 | -164 | 152.9 | 0 | 0 | 118.3 | | |
| 364 | S | 29.8 | Very low | 31.6 | Very low | 93 Ų | 93 | 136 Ų | 136 | 65% | 0.65 | 77% | 0.765 | S | S | * | * | | | trans | -87 | 156.1 | 170.1 | 86.7 | 0 | 0 | 0 | 0 | 111.3 | M362 | M362-S364 VanDerWaalsContact C-N 3.27Å; M362-S364 PolarHBondContact O-N 2.88Å |
| 365 | S | 27.7 | Very low | 31.7 | Very low | 97 Ų | 97 | 134.1 Ų | 134.1 | 68% | 0.678 | 77% | 0.766 | S | S | * | * | | | trans | 73.7 | 156.7 | 147.1 | -54.3 | 0 | 0 | 0 | 0 | 117.4 | | |
| 366 | I | 25.5 | Very low | 31.9 | Very low | 145 Ų | 145 | 140.8 Ų | 140.8 | 74% | 0.744 | 77% | 0.774 | S | S | * | * | | | cis | -150.8 | 117.5 | -18.3 | -116.1 | 162.3 | 0 | 0 | 0 | 104.9 | | |
| 367 | D | 27.2 | Very low | 31.8 | Very low | 147 Ų | 147 | 140.3 Ų | 140.3 | 79% | 0.786 | 77% | 0.77 | S | S | * | * | | | | 77.6 | 155.9 | 98.6 | -156.5 | 9.1 | 0 | 0 | 0 | 114.5 | | |
| 368 | S | 33.8 | Very low | 32.3 | Very low | 102 Ų | 102 | 144.2 Ų | 144.2 | 71% | 0.713 | 78% | 0.778 | S | S | * | * | | | trans | -90.1 | 162.1 | -169.2 | -57.4 | 0 | 0 | 0 | 0 | 113.2 | | |
| 369 | P | 33.1 | Very low | 32.3 | Very low | 122 Ų | 122 | 144.5 Ų | 144.5 | 79% | 0.792 | 78% | 0.779 | S | S | * | * | | | | -138.8 | 130.7 | 126.7 | 34.1 | -21.5 | 0 | 0 | 0 | 113.9 | I371 | P369-I371 HydrophobicContact CB-CD1 4.35Š|
| 370 | G | 29.9 | Very low | 32.4 | Very low | 66 Ų | 66 | 144.9 Ų | 144.9 | 68% | 0.68 | 78% | 0.781 | S | S | * | * | | | trans | 153.4 | 41.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 371 | I | 35.2 | Very low | 32.4 | Very low | 137 Ų | 137 | 143.8 Ų | 143.8 | 70% | 0.703 | 78% | 0.784 | S | S | * | * | | | | 61.9 | 116 | 86.6 | -65.4 | 166.1 | 0 | 0 | 0 | 111.6 | P369 | P369-I371 HydrophobicContact CB-CD1 4.35Š|
| 372 | F | 30.2 | Very low | 32.2 | Very low | 169 Ų | 169 | 141.1 Ų | 141.1 | 74% | 0.741 | 78% | 0.776 | S | S | * | * | | | cis | -163.9 | 174.5 | 8.1 | -132.9 | -154.4 | 0 | 0 | 0 | 113.1 | | |
| 373 | N | 34.9 | Very low | 32.4 | Very low | 106 Ų | 106 | 139 Ų | 139 | 57% | 0.567 | 77% | 0.768 | S | S | * | * | | | trans | 84 | 95.7 | 150.6 | -74.6 | -35.1 | 0 | 0 | 0 | 123.2 | | |
| 374 | R | 31.5 | Very low | 32.4 | Very low | 235 Ų | 235 | 138.7 Ų | 138.7 | 89% | 0.887 | 77% | 0.767 | S | S | * | * | | | | 70.2 | 111.7 | 117.9 | -66.4 | 170.5 | -169.9 | -142.1 | -5.7 | 120.1 | | |
| 375 | G | 32.9 | Very low | 32.7 | Very low | 77 Ų | 77 | 142 Ų | 142 | 79% | 0.794 | 78% | 0.778 | S | S | * | * | | | trans | -134.8 | -13.2 | 167.6 | 0 | 0 | 0 | 0 | 0 | 117.7 | | |
| 376 | R | 34.8 | Very low | 32.9 | Very low | 249 Ų | 249 | 146.7 Ų | 146.7 | 94% | 0.94 | 79% | 0.785 | S | S | * | * | | | trans | 65.6 | 145.3 | 179.9 | -72.7 | -173.7 | 174.4 | -120.1 | 0.2 | 118.1 | | |
| 377 | C | 28 | Very low | 33.3 | Very low | 110 Ų | 110 | 146.6 Ų | 146.6 | 74% | 0.743 | 79% | 0.785 | S | S | * | * | | | trans | -86.4 | 162.9 | -178.3 | -28.3 | 0 | 0 | 0 | 0 | 112.1 | | |
| 378 | D | 40.6 | Very low | 33.5 | Very low | 173 Ų | 173 | 150 Ų | 150 | 93% | 0.925 | 79% | 0.788 | S | S | * | * | | | trans | -130.9 | 163.9 | 139.7 | -94.4 | -48.6 | 0 | 0 | 0 | 108.7 | | |
| 379 | V | 35.6 | Very low | 33.6 | Very low | 126 Ų | 126 | 154.1 Ų | 154.1 | 76% | 0.764 | 80% | 0.797 | S | S | * | * | | | trans | -116.9 | 154.6 | -147.1 | 172 | 0 | 0 | 0 | 0 | 114.7 | | |
| 380 | E | 29.8 | Very low | 33.4 | Very low | 178 Ų | 178 | 157.6 Ų | 157.6 | 83% | 0.832 | 80% | 0.799 | S | S | * | * | | | trans | -63 | 149.4 | 177.5 | -56.5 | 158.1 | 106.7 | 0 | 0 | 114.5 | | |
| 381 | S | 33 | Very low | 33.7 | Very low | 119 Ų | 119 | 160.5 Ų | 160.5 | 83% | 0.832 | 81% | 0.809 | S | S | * | * | | | trans | 160.4 | 155.4 | 147 | 42.8 | 0 | 0 | 0 | 0 | 111.2 | | |
| 382 | N | 31 | Very low | 33.4 | Very low | 134 Ų | 134 | 157.3 Ų | 157.3 | 72% | 0.717 | 81% | 0.81 | S | S | * | * | | | cis | -157.9 | 176.3 | -36.2 | -163.1 | 26.6 | 0 | 0 | 0 | 108.3 | | |
| 383 | D | 35.7 | Very low | 33.9 | Very low | 128 Ų | 128 | 156.8 Ų | 156.8 | 68% | 0.684 | 82% | 0.815 | S | S | * | * | | | trans | 54.6 | 106.6 | 157.1 | -58.2 | -47.9 | 0 | 0 | 0 | 120.1 | | |
| 384 | Q | 40 | Very low | 33.6 | Very low | 199 Ų | 199 | 162.4 Ų | 162.4 | 93% | 0.93 | 83% | 0.834 | S | S | * | * | | | trans | -136.8 | 147.6 | 138.2 | -76 | -155.4 | -6.3 | 0 | 0 | 112.2 | | |
| 385 | N | 37.3 | Very low | 33.6 | Very low | 164 Ų | 164 | 156 Ų | 156 | 88% | 0.877 | 83% | 0.826 | S | S | * | * | | | trans | -69 | 147.5 | -158.1 | -70.3 | -37.3 | 0 | 0 | 0 | 116.7 | | |
| 386 | K | 31.9 | Very low | 33.6 | Very low | 194 Ų | 194 | 158 Ų | 158 | 84% | 0.843 | 82% | 0.823 | S | S | * | * | | | trans | -80.7 | 158.4 | 146.6 | -65.9 | 176 | 177.5 | 175.2 | 0 | 109.9 | | |
| 387 | I | 33.5 | Very low | 33.4 | Very low | 144 Ų | 144 | 154.2 Ų | 154.2 | 74% | 0.738 | 82% | 0.821 | S | S | * | * | | | trans | 155.7 | 148.2 | 144.1 | -80.9 | 154.4 | 0 | 0 | 0 | 109.3 | | |
| 388 | Y | 31.7 | Very low | 33.5 | Very low | 218 Ų | 218 | 153.1 Ų | 153.1 | 86% | 0.855 | 82% | 0.82 | S | S | * | * | | | trans | 68.3 | 152.6 | -170.8 | -58.2 | -63.5 | 0 | 0 | 0 | 114.6 | | |
| 389 | E | 35.6 | Very low | 32.9 | Very low | 189 Ų | 189 | 150.5 Ų | 150.5 | 88% | 0.883 | 82% | 0.815 | S | S | * | * | | | cis | -133.8 | -166.7 | 7.3 | -149.1 | 166.4 | -159.4 | 0 | 0 | 113 | | |
| 390 | K | 27.6 | Very low | 32.6 | Very low | 195 Ų | 195 | 150.3 Ų | 150.3 | 85% | 0.848 | 82% | 0.82 | S | S | * | * | | | trans | -143 | 101.3 | -157.1 | 177.5 | -164.4 | 172.2 | -173.6 | 0 | 113.6 | | |
| 391 | S | 36.5 | Very low | 32.8 | Very low | 127 Ų | 127 | 147.5 Ų | 147.5 | 89% | 0.888 | 82% | 0.819 | S | S | * | * | | | trans | -166.3 | 150.9 | 158.2 | 46 | 0 | 0 | 0 | 0 | 110 | | |
| 392 | G | 29.8 | Very low | 32.7 | Very low | 69 Ų | 69 | 144.7 Ų | 144.7 | 71% | 0.711 | 81% | 0.81 | S | S | * | * | | | cis | 131.9 | 49.9 | -7.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 393 | D | 40.2 | Very low | 32.9 | Very low | 159 Ų | 159 | 146.4 Ų | 146.4 | 85% | 0.85 | 82% | 0.819 | S | S | * | * | | | trans | -152.2 | 101.3 | 168.3 | -96.5 | -41 | 0 | 0 | 0 | 111.1 | | |
| 394 | F | 29.5 | Very low | 32.7 | Very low | 224 Ų | 224 | 144.1 Ų | 144.1 | 98% | 0.982 | 82% | 0.817 | S | S | * | * | | | trans | -148.6 | 101.5 | 163.6 | -101.5 | -78.9 | 0 | 0 | 0 | 107.5 | | |
| 395 | S | 32 | Very low | 32.9 | Very low | 100 Ų | 100 | 142.6 Ų | 142.6 | 70% | 0.699 | 82% | 0.816 | S | S | * | * | | | trans | -129.7 | 111.8 | -178.8 | -161.3 | 0 | 0 | 0 | 0 | 111.9 | | |
| 396 | T | 31.1 | Very low | 32.8 | Very low | 120 Ų | 120 | 141.8 Ų | 141.8 | 74% | 0.736 | 81% | 0.811 | S | S | * | * | | | trans | 42.4 | 114.9 | 139.5 | 59.7 | 0 | 0 | 0 | 0 | 120.1 | | |
| 397 | N | 30.8 | Very low | 32.9 | Very low | 168 Ų | 168 | 135.8 Ų | 135.8 | 90% | 0.898 | 81% | 0.805 | S | S | * | * | | | trans | -149.1 | 142 | 133.5 | -96.7 | -42 | 0 | 0 | 0 | 109.3 | | |
| 398 | A | 30.1 | Very low | 32.9 | Very low | 88 Ų | 88 | 136.7 Ų | 136.7 | 73% | 0.727 | 81% | 0.81 | S | S | * | * | | | trans | 31.1 | 118.4 | 170.1 | 0 | 0 | 0 | 0 | 0 | 118.6 | | |
| 399 | S | 28.3 | Very low | 33 | Very low | 118 Ų | 118 | 129.7 Ų | 129.7 | 83% | 0.825 | 80% | 0.803 | S | S | * | * | | | cis | 68.4 | 129.9 | 31.4 | -39.5 | 0 | 0 | 0 | 0 | 116.4 | | |
| 400 | S | 28.7 | Very low | 33.1 | Very low | 122 Ų | 122 | 127.1 Ų | 127.1 | 85% | 0.853 | 80% | 0.8 | S | S | * | * | | | trans | 84.9 | 65.4 | 145.6 | -164.7 | 0 | 0 | 0 | 0 | 121.7 | | |
| 401 | S | 35.4 | Very low | 33.5 | Very low | 118 Ų | 118 | 123.6 Ų | 123.6 | 83% | 0.825 | 79% | 0.791 | S | S | * | * | | | trans | -168.8 | 131.7 | 133.7 | 53.4 | 0 | 0 | 0 | 0 | 107.6 | | |
| 402 | G | 30.9 | Very low | 33.8 | Very low | 61 Ų | 61 | 125.5 Ų | 125.5 | 63% | 0.629 | 79% | 0.791 | S | S | * | * | | | cis | 98.4 | 119.9 | 25.5 | 0 | 0 | 0 | 0 | 0 | 108.4 | | |
| 403 | D | 34.8 | Very low | 34.4 | Very low | 169 Ų | 169 | 128 Ų | 128 | 90% | 0.904 | 79% | 0.788 | S | S | * | * | | | cis | -145 | 178 | -3.1 | -89.2 | -61.9 | 0 | 0 | 0 | 110.4 | | |
| 404 | A | 32 | Very low | 34.6 | Very low | 80 Ų | 80 | 127.6 Ų | 127.6 | 66% | 0.661 | 79% | 0.786 | S | S | * | * | | | trans | -92.6 | 107.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | D406 | A404-D406 PolarHBondContact O-N 3.37Š|
| 405 | D | 42.7 | Very low | 35.5 | Very low | 168 Ų | 168 | 123.7 Ų | 123.7 | 90% | 0.898 | 78% | 0.775 | S | S | * | * | | | trans | -83.9 | 64.5 | 163.5 | -81.1 | -42.2 | 0 | 0 | 0 | 110.7 | G407 | D405-G407 PolarHBondContact O-N 3Š|
| 406 | D | 35.8 | Very low | 35.7 | Very low | 146 Ų | 146 | 122.7 Ų | 122.7 | 78% | 0.781 | 78% | 0.781 | S | S | * | * | | | trans | -71.7 | 71.9 | 160.2 | -87.1 | -52.9 | 0 | 0 | 0 | 108.6 | A404 I408 | A404-D406 PolarHBondContact O-N 3.37Å; D406-I408 WeakPolarHBondContact O-CG1 3.19Å; D406-I408 PolarHBondContact O-N 3.43Å |
| 407 | G | 34 | Very low | 36.6 | Very low | 69 Ų | 69 | 123.1 Ų | 123.1 | 71% | 0.711 | 78% | 0.778 | S | S | * | * | | | trans | -83 | 20.9 | -157 | 0 | 0 | 0 | 0 | 0 | 118.8 | D405 | D405-G407 PolarHBondContact O-N 3Š|
| 408 | I | 33.9 | Very low | 36.8 | Very low | 163 Ų | 163 | 119 Ų | 119 | 84% | 0.836 | 76% | 0.757 | S | S | * | * | | | trans | 53.9 | 108.4 | 162.7 | -50.2 | -179.8 | 0 | 0 | 0 | 118.2 | D406 | D406-I408 WeakPolarHBondContact O-CG1 3.19Å; D406-I408 PolarHBondContact O-N 3.43Å |
| 409 | G | 33 | Very low | 37.4 | Very low | 70 Ų | 70 | 122.6 Ų | 122.6 | 72% | 0.722 | 76% | 0.763 | S | S | * | * | | | trans | 90.6 | 160.6 | 147.2 | 0 | 0 | 0 | 0 | 0 | 116.8 | | |
| 410 | V | 38.7 | Very low | 37.7 | Very low | 135 Ų | 135 | 124.6 Ų | 124.6 | 82% | 0.818 | 76% | 0.759 | S | S | * | * | | | cis | -127.8 | 148.6 | 4.2 | -172.4 | 0 | 0 | 0 | 0 | 109.4 | D412 | V410-D412 PolarHBondContact O-N 2.66Š|
| 411 | N | 35.5 | Very low | 38.3 | Very low | 122 Ų | 122 | 122.9 Ų | 122.9 | 65% | 0.652 | 75% | 0.753 | S | S | * | * | | | trans | -71.8 | 113.1 | 168.8 | -62.1 | 24.8 | 0 | 0 | 0 | 109.5 | D413 | N411-D413 HydrophobicContact CB-CB 4.45Å; N411-D413 WeakPolarHBondContact CB-OD2 3.05Å; N411-D413 PolarHBondContact ND2-OD2 3.06Å; N411-D413 PolarHBondContact O-N 2.68Å |
| 412 | D | 43.1 | Very low | 38.2 | Very low | 166 Ų | 166 | 122.8 Ų | 122.8 | 89% | 0.888 | 75% | 0.747 | S | S | * | * | | | trans | -89.2 | 66.7 | 147.9 | -74.5 | -40.5 | 0 | 0 | 0 | 107.7 | V410 D414 | V410-D412 PolarHBondContact O-N 2.66Å; D412-D414 PolarHBondContact O-N 2.91Å |
| 413 | D | 41.3 | Very low | 38.2 | Very low | 121 Ų | 121 | 127.4 Ų | 127.4 | 65% | 0.647 | 75% | 0.752 | S | S | * | * | | | trans | -75.3 | 105.2 | 158.7 | -75.6 | -57.3 | 0 | 0 | 0 | 107.1 | N411 | N411-D413 HydrophobicContact CB-CB 4.45Å; N411-D413 WeakPolarHBondContact CB-OD2 3.05Å; N411-D413 PolarHBondContact ND2-OD2 3.06Å; N411-D413 PolarHBondContact O-N 2.68Å |
| 414 | D | 45.4 | Very low | 38.4 | Very low | 151 Ų | 151 | 128.8 Ų | 128.8 | 81% | 0.807 | 75% | 0.753 | S | S | * | * | | | trans | -164.1 | 157.3 | 146.3 | -112.4 | -25.2 | 0 | 0 | 0 | 115 | D412 | D412-D414 PolarHBondContact O-N 2.91Š|
| 415 | D | 48.1 | Very low | 38.4 | Very low | 142 Ų | 142 | 130.5 Ų | 130.5 | 76% | 0.759 | 76% | 0.755 | S | S | * | * | | | trans | 51.8 | 77.8 | 160.5 | -71.4 | -24.5 | 0 | 0 | 0 | 119.2 | D417 | D415-D417 PolarHBondContact O-N 3.38Å; D415-D417 VanDerWaalsContact O-N 3.15Å |
| 416 | G | 35.3 | Very low | 38.5 | Very low | 79 Ų | 79 | 126.8 Ų | 126.8 | 81% | 0.814 | 74% | 0.74 | S | S | * | * | | | trans | -71.1 | 91.2 | 148.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | N418 | G416-N418 PolarHBondContact O-N 3.25Š|
| 417 | D | 49.8 | Very low | 38.9 | Very low | 129 Ų | 129 | 126.2 Ų | 126.2 | 69% | 0.69 | 74% | 0.744 | S | S | * | * | | | trans | -68.6 | 108.7 | 155.8 | -97.3 | -34.8 | 0 | 0 | 0 | 107.8 | D415 | D415-D417 PolarHBondContact O-N 3.38Å; D415-D417 VanDerWaalsContact O-N 3.15Å |
| 418 | N | 36.4 | Very low | 39.1 | Very low | 82 Ų | 82 | 127.8 Ų | 127.8 | 44% | 0.439 | 74% | 0.737 | S | S | . | * | | | cis | 83.3 | 13.6 | 49.5 | -160.6 | 12.5 | 0 | 0 | 0 | 115.1 | G416 H420 | G416-N418 PolarHBondContact O-N 3.25Å; N418-H420 PolarHBondContact O-N 2.95Å |
| 419 | D | 42.7 | Very low | 39.2 | Very low | 163 Ų | 163 | 126 Ų | 126 | 87% | 0.872 | 73% | 0.729 | S | S | * | * | | | trans | -83.9 | 54.8 | 155.6 | -94.2 | -34.6 | 0 | 0 | 0 | 112.3 | A421 | D419-A421 PolarHBondContact O-N 3.23Š|
| 420 | H | 35.1 | Very low | 39.6 | Very low | 160 Ų | 160 | 130.6 Ų | 130.6 | 74% | 0.741 | 73% | 0.732 | S | S | * | * | | | trans | -81.1 | 90.2 | 161.9 | -87.4 | -49.4 | 0 | 0 | 0 | 110.3 | N418 | N418-H420 PolarHBondContact O-N 2.95Š|
| 421 | A | 40.9 | Very low | 39.4 | Very low | 86 Ų | 86 | 131.8 Ų | 131.8 | 71% | 0.711 | 73% | 0.733 | S | S | * | * | | | trans | -139.3 | 84.9 | 164.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | D419 | D419-A421 PolarHBondContact O-N 3.23Š|
| 422 | V | 32.8 | Very low | 39.6 | Very low | 117 Ų | 117 | 133.1 Ų | 133.1 | 71% | 0.709 | 74% | 0.739 | S | S | * | * | | | | 65.9 | 101.4 | 79 | 179.6 | 0 | 0 | 0 | 0 | 112.5 | | |
| 423 | H | 31.4 | Very low | 39.3 | Very low | 157 Ų | 157 | 134.7 Ų | 134.7 | 73% | 0.727 | 74% | 0.741 | S | S | * | * | | | trans | 37.2 | 115 | 152.5 | -67.5 | -93.3 | 0 | 0 | 0 | 119.9 | | |
| 424 | Q | 37.8 | Very low | 39 | Very low | 198 Ų | 198 | 133 Ų | 133 | 93% | 0.925 | 74% | 0.739 | S | S | * | * | | | trans | -154.2 | 76.5 | 132.1 | -113.5 | 142 | 110.2 | 0 | 0 | 112.5 | | |
| 425 | T | 32.4 | Very low | 38.5 | Very low | 116 Ų | 116 | 133.1 Ų | 133.1 | 71% | 0.712 | 74% | 0.739 | S | S | * | * | | | trans | -82.5 | 166.2 | 150.8 | 42.5 | 0 | 0 | 0 | 0 | 109.8 | | |
| 426 | P | 45.9 | Very low | 38.1 | Very low | 90 Ų | 90 | 133.2 Ų | 133.2 | 58% | 0.584 | 75% | 0.745 | S | S | * | * | | | cis | -130 | 150.9 | -35.8 | 34 | -19.3 | 0 | 0 | 0 | 112.1 | N428 | P426-N428 PolarHBondContact O-OD1 3.19Š|
| 427 | P | 43.4 | Very low | 37.8 | Very low | 134 Ų | 134 | 140.1 Ų | 140.1 | 87% | 0.87 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -143.7 | 100.3 | 150.2 | 33 | -14.2 | 0 | 0 | 0 | 112.4 | | |
| 428 | N | 39.2 | Very low | 37 | Very low | 103 Ų | 103 | 138.1 Ų | 138.1 | 55% | 0.551 | 74% | 0.742 | S | S | * | * | | | cis | -161.4 | -170.3 | -8.9 | -138.2 | 26.9 | 0 | 0 | 0 | 109.8 | P426 | P426-N428 PolarHBondContact O-OD1 3.19Š|
| 429 | D | 34.1 | Very low | 37.3 | Very low | 124 Ų | 124 | 141.4 Ų | 141.4 | 66% | 0.663 | 76% | 0.76 | S | S | * | * | | | trans | 40.5 | 110 | 144 | -49.8 | -27 | 0 | 0 | 0 | 120.6 | | |
| 430 | E | 41.4 | Very low | 37.1 | Very low | 168 Ų | 168 | 137 Ų | 137 | 79% | 0.785 | 75% | 0.753 | S | S | * | * | | | | 52.5 | 111.6 | 127 | -52.3 | -159.7 | 162.4 | 0 | 0 | 120.9 | I432 | E430-I432 PolarHBondContact O-N 3.1Å; E430-I432 VanDerWaalsContact O-N 3.15Å |
| 431 | D | 36.4 | Very low | 37.2 | Very low | 159 Ų | 159 | 137.2 Ų | 137.2 | 85% | 0.85 | 76% | 0.755 | S | S | * | * | | | | 51.2 | 51.9 | 119.7 | -59.5 | 9.5 | 0 | 0 | 0 | 118.4 | | |
| 432 | I | 38.7 | Very low | 37.2 | Very low | 150 Ų | 150 | 140 Ų | 140 | 77% | 0.769 | 76% | 0.758 | S | S | * | * | | | trans | -114.2 | 72.5 | 151.4 | -51.9 | -174.4 | 0 | 0 | 0 | 110.3 | E430 S434 | E430-I432 PolarHBondContact O-N 3.1Å; E430-I432 VanDerWaalsContact O-N 3.15Å; I432-S434 PolarHBondContact O-N 3.31Å |
| 433 | E | 37 | Very low | 37.7 | Very low | 199 Ų | 199 | 142.1 Ų | 142.1 | 93% | 0.93 | 77% | 0.765 | S | S | * | * | | | trans | -63.8 | 111.2 | 150.2 | -70.2 | -169.1 | 134.5 | 0 | 0 | 109 | | |
| 434 | S | 35.9 | Very low | 38.5 | Very low | 86 Ų | 86 | 141.5 Ų | 141.5 | 60% | 0.601 | 77% | 0.767 | S | S | * | * | | | trans | -144.4 | 54 | 167 | 63.2 | 0 | 0 | 0 | 0 | 114.1 | I432 | I432-S434 PolarHBondContact O-N 3.31Š|
| 435 | N | 34.9 | Very low | 38.7 | Very low | 154 Ų | 154 | 140 Ų | 140 | 82% | 0.824 | 77% | 0.765 | S | S | * | * | S | Bend | trans | -140.6 | 105.3 | 150.4 | -86.2 | -44.4 | 0 | 0 | 0 | 105.6 | | |
| 436 | T | 38.9 | Very low | 39.1 | Very low | 144 Ų | 144 | 138.4 Ų | 138.4 | 88% | 0.883 | 77% | 0.773 | S | S | * | * | S | Bend | cis | -143.3 | 82.8 | 48.9 | 45.7 | 0 | 0 | 0 | 0 | 113.6 | | |
| 437 | R | 28.3 | Very low | 38.6 | Very low | 224 Ų | 224 | 138.2 Ų | 138.2 | 85% | 0.845 | 79% | 0.786 | S | S | * | * | | | trans | -80.2 | 156.4 | 143.3 | -124.7 | 179.9 | -178.8 | 157.3 | -2.3 | 106.9 | | |
| 438 | S | 34.2 | Very low | 38.2 | Very low | 86 Ų | 86 | 135.9 Ų | 135.9 | 60% | 0.601 | 79% | 0.787 | S | S | * | * | | | cis | -148.5 | 172.2 | 13.5 | -64.8 | 0 | 0 | 0 | 0 | 110.3 | | |
| 439 | D | 42.3 | Very low | 38.1 | Very low | 151 Ų | 151 | 134.2 Ų | 134.2 | 81% | 0.807 | 79% | 0.794 | S | S | * | * | | | | -179.7 | 149.3 | 106.9 | -84.7 | -13.9 | 0 | 0 | 0 | 111.3 | | |
| 440 | G | 37.2 | Very low | 38.3 | Very low | 71 Ų | 71 | 135 Ų | 135 | 73% | 0.732 | 81% | 0.807 | S | S | * | * | | | trans | 80.8 | 83.5 | -166.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 441 | Q | 37.9 | Very low | 38.1 | Very low | 164 Ų | 164 | 130.5 Ų | 130.5 | 77% | 0.766 | 81% | 0.807 | S | S | * | * | | | cis | 76.4 | 99.5 | 22.1 | -161 | 177.5 | 11.3 | 0 | 0 | 114.1 | | |
| 442 | D | 41 | Very low | 38.1 | Very low | 146 Ų | 146 | 131.8 Ų | 131.8 | 78% | 0.781 | 81% | 0.808 | S | S | * | * | | | trans | 170.2 | 120.5 | 131.1 | -86.1 | -13.8 | 0 | 0 | 0 | 109.9 | | |
| 443 | D | 44 | Very low | 38.5 | Very low | 160 Ų | 160 | 131.9 Ų | 131.9 | 86% | 0.856 | 81% | 0.81 | S | S | * | * | | | trans | 176.2 | 113.5 | 154.1 | -98.7 | -12.2 | 0 | 0 | 0 | 111.1 | | |
| 444 | D | 46.8 | Very low | 38.9 | Very low | 145 Ų | 145 | 129.4 Ų | 129.4 | 78% | 0.775 | 80% | 0.803 | S | S | * | * | | | trans | 43 | 110.9 | 150.3 | -63.4 | -1 | 0 | 0 | 0 | 124.6 | | |
| 445 | D | 42 | Very low | 39.3 | Very low | 165 Ų | 165 | 132.2 Ų | 132.2 | 88% | 0.882 | 81% | 0.811 | S | S | * | * | | | | 45.5 | 126.5 | 121.9 | -77.1 | -15.7 | 0 | 0 | 0 | 123.7 | | |
| 446 | G | 40.6 | Very low | 40 | Very low | 84 Ų | 84 | 131.5 Ų | 131.5 | 87% | 0.866 | 81% | 0.812 | S | S | * | * | | | | 139 | 103.2 | 123.1 | 0 | 0 | 0 | 0 | 0 | 120.7 | | |
| 447 | G | 36.7 | Very low | 40.2 | Very low | 85 Ų | 85 | 128.1 Ų | 128.1 | 88% | 0.876 | 81% | 0.805 | S | S | * | * | | | | 112.9 | 60.5 | 127.2 | 0 | 0 | 0 | 0 | 0 | 122.6 | | |
| 448 | G | 35 | Very low | 41.1 | Very low | 85 Ų | 85 | 122.2 Ų | 122.2 | 88% | 0.876 | 79% | 0.794 | S | S | * | * | | | trans | 78.7 | 159 | 148.7 | 0 | 0 | 0 | 0 | 0 | 118.7 | | |
| 449 | G | 36.3 | Very low | 41.8 | Very low | 68 Ų | 68 | 122 Ų | 122 | 70% | 0.701 | 79% | 0.786 | S | S | * | * | | | cis | 161.9 | 134.4 | -6 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 450 | C | 38 | Very low | 41.9 | Very low | 140 Ų | 140 | 118.4 Ų | 118.4 | 95% | 0.946 | 77% | 0.767 | S | S | * | * | | | trans | 68.6 | 143.2 | -169.8 | 95.2 | 0 | 0 | 0 | 0 | 115.7 | | |
| 451 | G | 37.8 | Very low | 42.2 | Very low | 75 Ų | 75 | 117.6 Ų | 117.6 | 77% | 0.773 | 75% | 0.746 | S | S | * | * | | | cis | -170.9 | 134.7 | -9.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 452 | E | 37.6 | Very low | 42.4 | Very low | 186 Ų | 186 | 118.3 Ų | 118.3 | 87% | 0.869 | 75% | 0.751 | S | S | * | * | | | trans | -75.8 | 156.7 | 174.2 | -62.4 | 161 | 104.3 | 0 | 0 | 112.1 | | |
| 453 | N | 45.5 | Very low | 42.4 | Very low | 151 Ų | 151 | 116.9 Ų | 116.9 | 81% | 0.807 | 74% | 0.744 | S | S | * | * | | | trans | -168.9 | 165.7 | 151.1 | -90.1 | -50.3 | 0 | 0 | 0 | 109.5 | | |
| 454 | D | 46.9 | Very low | 42.2 | Very low | 148 Ų | 148 | 115.2 Ų | 115.2 | 79% | 0.791 | 75% | 0.745 | S | S | * | * | | | trans | 58.5 | 88.5 | 168.2 | -51.7 | -20.2 | 0 | 0 | 0 | 114.8 | | |
| 455 | D | 42.5 | Very low | 42 | Very low | 144 Ų | 144 | 115.3 Ų | 115.3 | 77% | 0.77 | 75% | 0.745 | S | S | * | * | | | cis | 59.1 | 97.4 | 35.1 | -162.3 | 16.4 | 0 | 0 | 0 | 114.3 | | |
| 456 | V | 49.8 | Very low | 41.9 | Very low | 140 Ų | 140 | 116.8 Ų | 116.8 | 85% | 0.848 | 75% | 0.746 | S | S | * | * | | | | -172.8 | 104.6 | 122 | -93.4 | 0 | 0 | 0 | 0 | 113.8 | | |
| 457 | G | 44 | Very low | 41.9 | Very low | 72 Ų | 72 | 118.4 Ų | 118.4 | 74% | 0.742 | 74% | 0.735 | S | S | * | * | | | trans | 46.7 | -170.1 | 140.3 | 0 | 0 | 0 | 0 | 0 | 121.5 | | |
| 458 | V | 47.8 | Very low | 41.9 | Very low | 101 Ų | 101 | 123.8 Ų | 123.8 | 61% | 0.612 | 73% | 0.729 | S | S | * | * | | | cis | -148.9 | 177.2 | -10 | -169.5 | 0 | 0 | 0 | 0 | 106 | | |
| 459 | D | 47.8 | Very low | 41.8 | Very low | 81 Ų | 81 | 125.2 Ų | 125.2 | 43% | 0.433 | 72% | 0.721 | S | S | . | * | | | trans | 135.7 | 98.5 | 133.4 | -67.9 | -29 | 0 | 0 | 0 | 118.2 | S272 K273 | S272-D459 WeakPolarHBondContact CA-OD2 3.23Å; S272-D459 WeakPolarHBondContact CB-OD2 3.33Å; S272-D459 PolarHBondContact OG-OD1 3.3Å; S272-D459 PolarHBondContact OG-OD2 3.17Å; K273-D459 WeakPolarHBondContact CA-OD1 3.46Å; K273-D459 PolarHBondContact N-OD1 3.02Å |
| 460 | D | 45.6 | Very low | 41.8 | Very low | 75 Ų | 75 | 129.5 Ų | 129.5 | 40% | 0.401 | 73% | 0.727 | S | S | . | * | | | | 101 | 86.6 | 118.5 | -52.5 | -21.7 | 0 | 0 | 0 | 126.3 | K273 K274 S275 | K273-D460 VanDerWaalsContact C-OD1 3.29Å; K273-D460 VanDerWaalsContact CA-CG 3.46Å; K273-D460 WeakPolarHBondContact CA-OD1 2.98Å; K273-D460 WeakPolarHBondContact CA-OD2 3.5Å; K273-D460 PolarHBondContact N-OD2 2.88Å; K274-D460 WeakPolarHBondContact CA-OD1 3.13Å; K274-D460 PolarHBondContact N-OD1 3.25Å; K274-D460 PolarHBondContact N-OD2 3.09Å; S275-D460 PolarHBondContact N-OD1 3.18Å; S275-D460 VanDerWaalsContact N-OD1 3.11Å |
| 461 | N | 43.1 | Very low | 41.9 | Very low | 54 Ų | 54 | 128.6 Ų | 128.6 | 29% | 0.289 | 72% | 0.719 | S | S | . | * | | | | 40.6 | 135.5 | 114.6 | -163.7 | 27.5 | 0 | 0 | 0 | 123.9 | K274 S275 H276 D463 | K274-N461 WeakPolarHBondContact O-CB 3.3Å; K274-N461 PolarHBondContact O-ND2 2.98Å; S275-N461 PolarHBondContact O-ND2 2.77Å; S275-N461 VanDerWaalsContact O-ND2 3.15Å; S275-N461 PolarHBondContact O-OD1 3.39Å; H276-N461 PolarHBondContact O-OD1 3.25Å; N461-D463 PolarHBondContact ND2-OD1 3.33Å; N461-D463 PolarHBondContact OD1-N 3.42Å |
| 462 | M | 42.1 | Very low | 41.6 | Very low | 179 Ų | 179 | 128.7 Ų | 128.7 | 88% | 0.882 | 72% | 0.72 | S | S | * | * | | | trans | -137.3 | 131 | 135.7 | -88.3 | -74.9 | 177.2 | 0 | 0 | 109.6 | | |
| 463 | D | 40.3 | Very low | 41.4 | Very low | 116 Ų | 116 | 128.6 Ų | 128.6 | 62% | 0.62 | 72% | 0.72 | S | S | * | * | | | trans | -72.9 | 155.9 | -167 | -44.3 | -70.1 | 0 | 0 | 0 | 115.4 | N461 | N461-D463 PolarHBondContact ND2-OD1 3.33Å; N461-D463 PolarHBondContact OD1-N 3.42Å |
| 464 | S | 40.4 | Very low | 41 | Very low | 125 Ų | 125 | 129 Ų | 129 | 87% | 0.874 | 72% | 0.722 | S | S | * | * | | | | -178.8 | 132.9 | 124.3 | -78.2 | 0 | 0 | 0 | 0 | 113.5 | | |
| 465 | D | 41.9 | Very low | 40.2 | Very low | 147 Ų | 147 | 129 Ų | 129 | 79% | 0.786 | 72% | 0.722 | S | S | * | * | | | trans | -83.6 | 153.8 | -171.3 | -45.4 | -103.8 | 0 | 0 | 0 | 116.5 | | |
| 466 | H | 41 | Very low | 40 | Very low | 196 Ų | 196 | 131.1 Ų | 131.1 | 91% | 0.907 | 72% | 0.724 | S | S | * | * | | | trans | -145.7 | 75 | 143.5 | -99.1 | -29.3 | 0 | 0 | 0 | 113.8 | | |
| 467 | D | 39.1 | Very low | 39.2 | Very low | 118 Ų | 118 | 131 Ų | 131 | 63% | 0.631 | 72% | 0.724 | S | S | * | * | | | trans | 41.7 | 136 | 133 | -144.8 | 10.6 | 0 | 0 | 0 | 122 | | |
| 468 | R | 37.1 | Very low | 38.5 | Very low | 198 Ų | 198 | 131.3 Ų | 131.3 | 75% | 0.747 | 73% | 0.727 | S | S | * | * | | | trans | 92.9 | 100.3 | 153.1 | -76.3 | 159.9 | -151 | -119 | -9.5 | 124.1 | | |
| 469 | T | 33.8 | Very low | 37.6 | Very low | 115 Ų | 115 | 133.5 Ų | 133.5 | 71% | 0.706 | 74% | 0.736 | S | S | * | * | | | | 69.1 | 109.8 | 128.3 | 52.8 | 0 | 0 | 0 | 0 | 119.2 | | |
| 470 | L | 35.6 | Very low | 36.6 | Very low | 159 Ų | 159 | 138 Ų | 138 | 83% | 0.832 | 75% | 0.753 | S | S | * | * | | | | 77.6 | 151.4 | 56.8 | -67.6 | 175.2 | 0 | 0 | 0 | 114 | | |
| 471 | P | 39.8 | Very low | 35.8 | Very low | 121 Ų | 121 | 143.7 Ų | 143.7 | 79% | 0.786 | 78% | 0.775 | S | S | * | * | | | | -135.3 | -174.2 | -50.7 | 38.2 | -20.7 | 0 | 0 | 0 | 111.3 | | |
| 472 | G | 32.1 | Very low | 35.2 | Very low | 76 Ų | 76 | 147.2 Ų | 147.2 | 78% | 0.784 | 79% | 0.794 | S | S | * | * | | | trans | 178.7 | 97.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 473 | E | 32.4 | Very low | 34.6 | Very low | 185 Ų | 185 | 145.5 Ų | 145.5 | 86% | 0.864 | 79% | 0.788 | S | S | * | * | | | trans | -45 | 147.3 | 171.9 | -57.4 | 157.8 | 131.2 | 0 | 0 | 115.3 | | |
| 474 | N | 37.4 | Very low | 34.3 | Very low | 158 Ų | 158 | 148 Ų | 148 | 85% | 0.845 | 80% | 0.802 | S | S | * | * | | | trans | -171.9 | 129.2 | 130.5 | -106.6 | -77 | 0 | 0 | 0 | 111.7 | | |
| 475 | D | 30.6 | Very low | 34.2 | Very low | 150 Ų | 150 | 149.4 Ų | 149.4 | 80% | 0.802 | 80% | 0.799 | S | S | * | * | | | trans | -73.9 | 132.1 | 170.5 | -62.5 | -71.1 | 0 | 0 | 0 | 112.2 | | |
| 476 | K | 39 | Very low | 33.9 | Very low | 187 Ų | 187 | 147.4 Ų | 147.4 | 81% | 0.813 | 80% | 0.797 | S | S | * | * | | | trans | -175.5 | 107.5 | 137 | -99.1 | 141.4 | -161.4 | 152.7 | 0 | 113.1 | G478 | K476-G478 PolarHBondContact O-N 3.27Š|
| 477 | T | 33 | Very low | 33.6 | Very low | 138 Ų | 138 | 145.3 Ų | 145.3 | 85% | 0.847 | 79% | 0.792 | S | S | * | * | | | trans | 23.4 | 91.2 | 141.7 | 56 | 0 | 0 | 0 | 0 | 116.7 | | |
| 478 | G | 28.8 | Very low | 33.4 | Very low | 79 Ų | 79 | 146 Ų | 146 | 81% | 0.814 | 80% | 0.797 | S | S | * | * | | | trans | -72.9 | 138 | 163 | 0 | 0 | 0 | 0 | 0 | 111.1 | K476 | K476-G478 PolarHBondContact O-N 3.27Š|
| 479 | N | 28.4 | Very low | 33.2 | Very low | 147 Ų | 147 | 141.2 Ų | 141.2 | 79% | 0.786 | 79% | 0.793 | S | S | * | * | | | trans | -145.3 | 107.3 | 148.1 | -153.1 | 13.5 | 0 | 0 | 0 | 109.2 | | |
| 480 | H | 27.2 | Very low | 33.3 | Very low | 174 Ų | 174 | 145 Ų | 145 | 81% | 0.806 | 81% | 0.805 | S | S | * | * | | | trans | 27.2 | 111.9 | 172.6 | -70.2 | -83.2 | 0 | 0 | 0 | 120.6 | | |
| 481 | F | 29 | Very low | 33.1 | Very low | 195 Ų | 195 | 145.8 Ų | 145.8 | 86% | 0.855 | 80% | 0.802 | S | S | * | * | | | trans | -142 | 145.5 | 146.2 | -108.8 | -79.5 | 0 | 0 | 0 | 110.7 | | |
| 482 | N | 29.4 | Very low | 32.8 | Very low | 128 Ų | 128 | 146 Ų | 146 | 68% | 0.684 | 80% | 0.795 | S | S | * | * | | | trans | 50.9 | 111.5 | 163.8 | -68.5 | -3 | 0 | 0 | 0 | 120.6 | | |
| 483 | N | 29.8 | Very low | 32.9 | Very low | 143 Ų | 143 | 149.7 Ų | 149.7 | 77% | 0.765 | 79% | 0.794 | S | S | * | * | | | | 29.2 | 130.9 | 102.9 | -54.5 | 5.5 | 0 | 0 | 0 | 118.4 | | |
| 484 | N | 34.7 | Very low | 32.9 | Very low | 170 Ų | 170 | 149 Ų | 149 | 91% | 0.909 | 79% | 0.792 | S | S | * | * | | | trans | -131.3 | 141 | 144.9 | -99.4 | -50.1 | 0 | 0 | 0 | 109 | | |
| 485 | D | 37.6 | Very low | 32.8 | Very low | 153 Ų | 153 | 149.1 Ų | 149.1 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | | | trans | -79.4 | 160 | -176.4 | -69.4 | -64.3 | 0 | 0 | 0 | 113.7 | | |
| 486 | S | 35.5 | Very low | 33 | Very low | 105 Ų | 105 | 150.9 Ų | 150.9 | 73% | 0.734 | 80% | 0.795 | S | S | * | * | | | trans | -63.5 | 142.6 | 169.3 | 57.3 | 0 | 0 | 0 | 0 | 113.1 | | |
| 487 | N | 36.2 | Very low | 32.6 | Very low | 152 Ų | 152 | 152.2 Ų | 152.2 | 81% | 0.813 | 80% | 0.795 | S | S | * | * | | | trans | -159.3 | 104 | 147.7 | -109.3 | -55.6 | 0 | 0 | 0 | 115.6 | | |
| 488 | N | 34.9 | Very low | 32.7 | Very low | 134 Ų | 134 | 150.8 Ų | 150.8 | 72% | 0.717 | 79% | 0.79 | S | S | * | * | | | | 66.5 | 123.7 | 126 | -150.5 | 9.8 | 0 | 0 | 0 | 123.3 | | |
| 489 | S | 32 | Very low | 32.9 | Very low | 97 Ų | 97 | 151.6 Ų | 151.6 | 68% | 0.678 | 78% | 0.783 | S | S | * | * | | | trans | 51.8 | 108.3 | 149.7 | 66.4 | 0 | 0 | 0 | 0 | 120.8 | | |
| 490 | M | 36 | Very low | 33.1 | Very low | 195 Ų | 195 | 152.8 Ų | 152.8 | 96% | 0.961 | 78% | 0.784 | S | S | * | * | | | trans | -92.4 | 155.2 | 152.3 | -169.3 | 163.8 | -77.9 | 0 | 0 | 110.8 | | |
| 491 | K | 31.5 | Very low | 33.6 | Very low | 175 Ų | 175 | 149.2 Ų | 149.2 | 76% | 0.761 | 78% | 0.778 | S | S | * | * | | | trans | -118.3 | 153.2 | -163.6 | -104.1 | 175.4 | 174.9 | 172.6 | 0 | 113.1 | | |
| 492 | I | 34.6 | Very low | 33.9 | Very low | 126 Ų | 126 | 150.6 Ų | 150.6 | 65% | 0.646 | 78% | 0.779 | S | S | * | * | | | trans | 63.3 | 98.2 | 146.1 | -64.1 | 168 | 0 | 0 | 0 | 114.7 | | |
| 493 | M | 32.7 | Very low | 34.5 | Very low | 152 Ų | 152 | 149.5 Ų | 149.5 | 75% | 0.749 | 78% | 0.777 | S | S | * | * | | | | 59.9 | 113.8 | 87.5 | -71.2 | -166.8 | -67.7 | 0 | 0 | 115.9 | | |
| 494 | M | 33.1 | Very low | 35.4 | Very low | 170 Ų | 170 | 147 Ų | 147 | 84% | 0.837 | 76% | 0.764 | S | S | * | * | | | | 154.8 | 96.1 | 117.9 | -82.3 | -166.4 | -163.1 | 0 | 0 | 111.9 | | |
| 495 | I | 35.6 | Very low | 36 | Very low | 161 Ų | 161 | 145.6 Ų | 145.6 | 83% | 0.826 | 75% | 0.752 | S | S | * | * | | | | -152.6 | 87.1 | 116.3 | -52.8 | -169.6 | 0 | 0 | 0 | 107.3 | R497 | I495-R497 VanDerWaalsContact C-N 3.3Å; I495-R497 HydrophobicContact CG2-CB 4.38Å; I495-R497 PolarHBondContact O-N 3.48Å |
| 496 | H | 33.6 | Very low | 36.7 | Very low | 187 Ų | 187 | 140.9 Ų | 140.9 | 87% | 0.866 | 73% | 0.731 | S | S | * | * | | | trans | -75.7 | 87.5 | 166.5 | -92.6 | -97.9 | 0 | 0 | 0 | 109.5 | S498 | H496-S498 PolarHBondContact O-N 3.2Š|
| 497 | R | 31.7 | Very low | 37.5 | Very low | 216 Ų | 216 | 142.6 Ų | 142.6 | 82% | 0.815 | 73% | 0.727 | S | S | * | * | | | trans | -75.7 | 80 | 169.8 | -165.4 | 176.2 | -168.9 | 174.6 | 1.8 | 108 | I495 S499 | I495-R497 VanDerWaalsContact C-N 3.3Å; I495-R497 HydrophobicContact CG2-CB 4.38Å; I495-R497 PolarHBondContact O-N 3.48Å; R497-S499 PolarHBondContact O-N 3.19Å; R497-S499 VanDerWaalsContact O-N 3.09Å; R497-S499 PolarHBondContact O-OG 3.34Å |
| 498 | S | 33.5 | Very low | 38.8 | Very low | 108 Ų | 108 | 141.9 Ų | 141.9 | 76% | 0.755 | 72% | 0.719 | S | S | * | * | | | trans | -49.2 | 117.1 | -169.3 | -158 | 0 | 0 | 0 | 0 | 111.2 | H496 | H496-S498 PolarHBondContact O-N 3.2Š|
| 499 | S | 33.3 | Very low | 40.2 | Very low | 95 Ų | 95 | 140.6 Ų | 140.6 | 66% | 0.664 | 71% | 0.712 | S | S | * | * | | | trans | -134.6 | 118.2 | -172.7 | -61.9 | 0 | 0 | 0 | 0 | 106.5 | R497 S501 | R497-S499 PolarHBondContact O-N 3.19Å; R497-S499 VanDerWaalsContact O-N 3.09Å; R497-S499 PolarHBondContact O-OG 3.34Å; S499-S501 PolarHBondContact O-N 3.25Å |
| 500 | H | 34.3 | Very low | 41.9 | Very low | 172 Ų | 172 | 143.4 Ų | 143.4 | 80% | 0.796 | 71% | 0.712 | S | S | * | * | | | trans | -69.6 | 92.4 | -157.9 | -60.9 | -94 | 0 | 0 | 0 | 114 | | |
| 501 | S | 36.3 | Very low | 43.7 | Very low | 99 Ų | 99 | 136.8 Ų | 136.8 | 69% | 0.692 | 69% | 0.688 | S | S | * | * | | | trans | -80.9 | 112.6 | 154.9 | 55.7 | 0 | 0 | 0 | 0 | 108.6 | S499 V503 | S499-S501 PolarHBondContact O-N 3.25Å; S501-V503 PolarHBondContact O-N 3.4Å |
| 502 | Y | 36.2 | Very low | 45.9 | Very low | 224 Ų | 224 | 132.4 Ų | 132.4 | 88% | 0.878 | 68% | 0.676 | S | S | * | * | | | trans | -67.9 | 77.8 | 172.4 | -92.9 | -102.7 | 0 | 0 | 0 | 110.5 | | |
| 503 | V | 42 | Very low | 47.9 | Very low | 105 Ų | 105 | 132.2 Ų | 132.2 | 64% | 0.636 | 67% | 0.672 | S | S | * | * | | | trans | -63.3 | 137.9 | 149.1 | 178.9 | 0 | 0 | 0 | 0 | 105.9 | S501 E505 | S501-V503 PolarHBondContact O-N 3.4Å; V503-E505 VanDerWaalsContact C-N 3.31Å; V503-E505 PolarHBondContact O-N 3.48Å |
| 504 | N | 47.7 | Very low | 50 | Low | 92 Ų | 92 | 132.1 Ų | 132.1 | 49% | 0.492 | 67% | 0.67 | S | S | . | * | | | trans | -68.5 | 87.3 | -171.5 | -179 | 21.5 | 0 | 0 | 0 | 111 | S506 Q507 | N504-S506 PolarHBondContact ND2-OG 2.79Å; N504-S506 VanDerWaalsContact ND2-OG 3.16Å; N504-S506 PolarHBondContact O-N 2.82Å; N504-S506 PolarHBondContact OD1-OG 2.7Å; N504-Q507 PolarHBondContact O-N 2.63Å |
| 505 | E | 48.4 | Very low | 52.3 | Low | 139 Ų | 139 | 127.2 Ų | 127.2 | 65% | 0.65 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -57.7 | -24.4 | -174.4 | -162.4 | 169.9 | -143.6 | 0 | 0 | 111.9 | V503 Q507 E508 L509 | V503-E505 VanDerWaalsContact C-N 3.31Å; V503-E505 PolarHBondContact O-N 3.48Å; E505-Q507 PolarHBondContact O-N 3.38Å; E505-E508 PolarHBondContact O-N 2.82Å; E505-L509 HydrophobicContact CG-CD1 4.08Å; E505-L509 HydrophobicContact CG-CG 4.31Å; E505-L509 WeakPolarHBondContact O-CB 3.43Å; E505-L509 WeakPolarHBondContact O-CG 3.14Å; E505-L509 PolarHBondContact O-N 2.8Å |
| 506 | S | 52.1 | Low | 54.5 | Low | 55 Ų | 55 | 125.2 Ų | 125.2 | 39% | 0.385 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -59 | -31.9 | 171.1 | 71.7 | 0 | 0 | 0 | 0 | 113.6 | N504 F510 | N504-S506 PolarHBondContact ND2-OG 2.79Å; N504-S506 VanDerWaalsContact ND2-OG 3.16Å; N504-S506 PolarHBondContact O-N 2.82Å; N504-S506 PolarHBondContact OD1-OG 2.7Å; S506-F510 WeakPolarHBondContact O-CB 3.09Å; S506-F510 WeakPolarHBondContact O-CD2 2.92Å; S506-F510 PolarHBondContact O-N 3.43Å |
| 507 | Q | 52.3 | Low | 56.7 | Low | 141 Ų | 141 | 118.6 Ų | 118.6 | 66% | 0.659 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -83 | -35 | -175.5 | -153 | 165.7 | 26.1 | 0 | 0 | 112.3 | N504 E505 A511 | N504-Q507 PolarHBondContact O-N 2.63Å; E505-Q507 PolarHBondContact O-N 3.38Å; Q507-A511 PolarHBondContact O-N 3.25Å |
| 508 | E | 62.6 | Low | 59.1 | Low | 137 Ų | 137 | 113.8 Ų | 113.8 | 64% | 0.64 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -70.9 | -36.6 | 164.9 | -78.9 | -165 | 131.1 | 0 | 0 | 111.5 | E505 F510 A511 V512 | E505-E508 PolarHBondContact O-N 2.82Å; E508-F510 VanDerWaalsContact C-N 3.34Å; E508-F510 PolarHBondContact O-N 2.97Å; E508-A511 PolarHBondContact O-N 3.22Å; E508-V512 VanDerWaalsContact O-CB 3.22Å; E508-V512 WeakPolarHBondContact O-CB 3.11Å; E508-V512 VanDerWaalsContact O-CG2 3.22Å; E508-V512 WeakPolarHBondContact O-CG2 3.49Å; E508-V512 PolarHBondContact O-N 3.42Å |
| 509 | L | 64.3 | Low | 61.6 | Low | 106 Ų | 106 | 116.1 Ų | 116.1 | 56% | 0.555 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -64.3 | -35.5 | 172.6 | -75.9 | 168.7 | 0 | 0 | 0 | 112.1 | E505 H513 | E505-L509 HydrophobicContact CG-CD1 4.08Å; E505-L509 HydrophobicContact CG-CG 4.31Å; E505-L509 WeakPolarHBondContact O-CB 3.43Å; E505-L509 WeakPolarHBondContact O-CG 3.14Å; E505-L509 PolarHBondContact O-N 2.8Å; L509-H513 WeakPolarHBondContact O-CA 3.27Å; L509-H513 WeakPolarHBondContact O-CB 3.37Å; L509-H513 PolarHBondContact O-N 3.48Å |
| 510 | F | 68.7 | Low | 63.7 | Low | 157 Ų | 157 | 115.3 Ų | 115.3 | 69% | 0.689 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -67.4 | -45.6 | 171.1 | -88 | -62.1 | 0 | 0 | 0 | 111.6 | S506 E508 V512 H513 E514 | S506-F510 WeakPolarHBondContact O-CB 3.09Å; S506-F510 WeakPolarHBondContact O-CD2 2.92Å; S506-F510 PolarHBondContact O-N 3.43Å; E508-F510 VanDerWaalsContact C-N 3.34Å; E508-F510 PolarHBondContact O-N 2.97Å; F510-V512 VanDerWaalsContact C-N 3.34Å; F510-V512 PolarHBondContact O-N 3.42Å; F510-H513 PolarHBondContact O-N 3.18Å; F510-E514 VanDerWaalsContact O-CB 3.23Å; F510-E514 WeakPolarHBondContact O-CB 3.02Å; F510-E514 PolarHBondContact O-N 3.09Å |
| 511 | A | 73 | Confident | 65.5 | Low | 56 Ų | 56 | 109.3 Ų | 109.3 | 46% | 0.463 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -64.4 | -37.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q507 E508 E515 | Q507-A511 PolarHBondContact O-N 3.25Å; E508-A511 PolarHBondContact O-N 3.22Å; A511-E515 VanDerWaalsContact O-CB 3.28Å; A511-E515 WeakPolarHBondContact O-CB 3.03Å; A511-E515 PolarHBondContact O-N 2.93Å |
| 512 | V | 77.6 | Confident | 67.3 | Low | 82 Ų | 82 | 109.3 Ų | 109.3 | 50% | 0.497 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -74 | -36.5 | 175.4 | 170.1 | 0 | 0 | 0 | 0 | 111 | E508 F510 Q516 | E508-V512 VanDerWaalsContact O-CB 3.22Å; E508-V512 WeakPolarHBondContact O-CB 3.11Å; E508-V512 VanDerWaalsContact O-CG2 3.22Å; E508-V512 WeakPolarHBondContact O-CG2 3.49Å; E508-V512 PolarHBondContact O-N 3.42Å; F510-V512 VanDerWaalsContact C-N 3.34Å; F510-V512 PolarHBondContact O-N 3.42Å; V512-Q516 WeakPolarHBondContact O-CA 3.11Å; V512-Q516 WeakPolarHBondContact O-CB 3.48Å; V512-Q516 PolarHBondContact O-N 3.32Å |
| 513 | H | 76.8 | Confident | 68.8 | Low | 122 Ų | 122 | 104 Ų | 104 | 57% | 0.565 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -73.7 | -30.8 | 174.6 | -164.7 | -55 | 0 | 0 | 0 | 111.5 | L509 F510 E517 | L509-H513 WeakPolarHBondContact O-CA 3.27Å; L509-H513 WeakPolarHBondContact O-CB 3.37Å; L509-H513 PolarHBondContact O-N 3.48Å; F510-H513 PolarHBondContact O-N 3.18Å; H513-E517 WeakPolarHBondContact O-CB 3.42Å; H513-E517 PolarHBondContact O-N 3.18Å |
| 514 | E | 76.7 | Confident | 69.8 | Low | 151 Ų | 151 | 100.3 Ų | 100.3 | 71% | 0.706 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -72.9 | -43.6 | 172.8 | -169.6 | 170.6 | -139.1 | 0 | 0 | 110.9 | F510 R518 | F510-E514 VanDerWaalsContact O-CB 3.23Å; F510-E514 WeakPolarHBondContact O-CB 3.02Å; F510-E514 PolarHBondContact O-N 3.09Å; E514-R518 WeakPolarHBondContact O-CB 3.25Å; E514-R518 PolarHBondContact O-N 3.39Å |
| 515 | E | 82.5 | Confident | 70.3 | Confident | 67 Ų | 67 | 98.4 Ų | 98.4 | 31% | 0.313 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -70.1 | -33.6 | 172 | 172.7 | 61.9 | -167.9 | 0 | 0 | 112.4 | A511 R518 R519 | A511-E515 VanDerWaalsContact O-CB 3.28Å; A511-E515 WeakPolarHBondContact O-CB 3.03Å; A511-E515 PolarHBondContact O-N 2.93Å; E515-R518 CarbonylContact O-C 3.01Å; E515-R518 IonicContact OE1-CZ 3.87Å; E515-R518 IonicContact OE1-NH2 3.68Å; E515-R518 PolarHBondContact OE1-NH2 3.45Å; E515-R518 IonicContact OE2-CZ 2.85Å; E515-R518 IonicContact OE2-NE 2.8Å; E515-R518 PolarHBondContact OE2-NE 3.08Å; E515-R518 IonicContact OE2-NH2 3.67Å; E515-R518 PolarHBondContact OE2-NH2 3.07Å; E515-R519 WeakPolarHBondContact O-CB 3.42Å; E515-R519 WeakPolarHBondContact O-CG 3.36Å; E515-R519 PolarHBondContact O-N 2.85Å; E515-R519 WeakPolarHBondContact OE1-CD 3.34Å; E515-R519 IonicContact OE1-CZ 2.71Å; E515-R519 IonicContact OE1-NE 3.32Å; E515-R519 PolarHBondContact OE1-NE 3.5Å; E515-R519 IonicContact OE1-NH2 2.69Å |
| 516 | Q | 80.9 | Confident | 70.7 | Confident | 118 Ų | 118 | 95.6 Ų | 95.6 | 55% | 0.551 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -73 | -40.9 | 176.3 | 178.8 | 171.7 | -27 | 0 | 0 | 110.8 | V512 R519 R520 | V512-Q516 WeakPolarHBondContact O-CA 3.11Å; V512-Q516 WeakPolarHBondContact O-CB 3.48Å; V512-Q516 PolarHBondContact O-N 3.32Å; Q516-R519 CarbonylContact O-C 3.38Å; Q516-R519 PolarHBondContact O-N 3.1Å; Q516-R520 WeakPolarHBondContact O-CB 3.35Å; Q516-R520 PolarHBondContact O-N 3.41Å |
| 517 | E | 79.4 | Confident | 70.8 | Confident | 49 Ų | 49 | 97.6 Ų | 97.6 | 23% | 0.229 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -67.9 | -45 | 171.1 | -163.2 | 68.7 | 173.3 | 0 | 0 | 109.4 | H513 R519 R520 Q521 | H513-E517 WeakPolarHBondContact O-CB 3.42Å; H513-E517 PolarHBondContact O-N 3.18Å; E517-R519 PolarHBondContact O-N 3.25Å; E517-R519 VanDerWaalsContact O-N 3.1Å; E517-R520 CarbonylContact O-C 3.41Å; E517-R520 WeakPolarHBondContact O-CB 3.49Å; E517-R520 PolarHBondContact O-N 3.5Å; E517-R520 IonicContact OE1-CZ 3.77Å; E517-R520 IonicContact OE1-NE 3.94Å; E517-R520 IonicContact OE1-NH2 3.42Å; E517-R520 PolarHBondContact OE1-NH2 2.83Å; E517-R520 IonicContact OE2-CZ 2.9Å; E517-R520 IonicContact OE2-NE 3.53Å; E517-R520 PolarHBondContact OE2-NE 2.99Å; E517-R520 IonicContact OE2-NH2 3.62Å; E517-R520 PolarHBondContact OE2-NH2 3.01Å; E517-Q521 WeakPolarHBondContact O-CA 3.45Å; E517-Q521 WeakPolarHBondContact O-CB 3.34Å; E517-Q521 PolarHBondContact O-N 3.37Å |
| 518 | R | 81.8 | Confident | 70.4 | Confident | 114 Ų | 114 | 97.6 Ų | 97.6 | 43% | 0.43 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -57 | -27.7 | 171.8 | -162.5 | -164.6 | 69.6 | 67.3 | 4.2 | 113 | E514 E515 Q521 Q522 | E514-R518 WeakPolarHBondContact O-CB 3.25Å; E514-R518 PolarHBondContact O-N 3.39Å; E515-R518 CarbonylContact O-C 3.01Å; E515-R518 IonicContact OE1-CZ 3.87Å; E515-R518 IonicContact OE1-NH2 3.68Å; E515-R518 PolarHBondContact OE1-NH2 3.45Å; E515-R518 IonicContact OE2-CZ 2.85Å; E515-R518 IonicContact OE2-NE 2.8Å; E515-R518 PolarHBondContact OE2-NE 3.08Å; E515-R518 IonicContact OE2-NH2 3.67Å; E515-R518 PolarHBondContact OE2-NH2 3.07Å; R518-Q521 WeakPolarHBondContact O-CB 3.31Å; R518-Q522 WeakPolarHBondContact O-CB 3.28Å; R518-Q522 PolarHBondContact O-N 2.95Å |
| 519 | R | 86.1 | Confident | 69.2 | Low | 157 Ų | 157 | 95 Ų | 95 | 59% | 0.592 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -80.4 | -43.1 | 172.4 | -82.3 | 170.4 | 170.5 | -111.3 | -5.8 | 113.2 | E515 Q516 E517 Q521 Q522 Q523 | E515-R519 WeakPolarHBondContact O-CB 3.42Å; E515-R519 WeakPolarHBondContact O-CG 3.36Å; E515-R519 PolarHBondContact O-N 2.85Å; E515-R519 WeakPolarHBondContact OE1-CD 3.34Å; E515-R519 IonicContact OE1-CZ 2.71Å; E515-R519 IonicContact OE1-NE 3.32Å; E515-R519 PolarHBondContact OE1-NE 3.5Å; E515-R519 IonicContact OE1-NH2 2.69Å; Q516-R519 CarbonylContact O-C 3.38Å; Q516-R519 PolarHBondContact O-N 3.1Å; E517-R519 PolarHBondContact O-N 3.25Å; E517-R519 VanDerWaalsContact O-N 3.1Å; R519-Q521 VanDerWaalsContact C-N 3.29Å; R519-Q522 PolarHBondContact O-N 2.84Å; R519-Q523 WeakPolarHBondContact O-CA 3.41Å; R519-Q523 WeakPolarHBondContact O-CB 3.39Å; R519-Q523 PolarHBondContact O-N 3.3Å |
| 520 | R | 78.3 | Confident | 68.1 | Low | 79 Ų | 79 | 94.6 Ų | 94.6 | 30% | 0.298 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -55 | -53.2 | 169.7 | -124.9 | 165.1 | 56.6 | 70.6 | 4.4 | 108.1 | Q516 E517 Q522 Q523 Q524 V1509 M1510 | Q516-R520 WeakPolarHBondContact O-CB 3.35Å; Q516-R520 PolarHBondContact O-N 3.41Å; E517-R520 CarbonylContact O-C 3.41Å; E517-R520 WeakPolarHBondContact O-CB 3.49Å; E517-R520 PolarHBondContact O-N 3.5Å; E517-R520 IonicContact OE1-CZ 3.77Å; E517-R520 IonicContact OE1-NE 3.94Å; E517-R520 IonicContact OE1-NH2 3.42Å; E517-R520 PolarHBondContact OE1-NH2 2.83Å; E517-R520 IonicContact OE2-CZ 2.9Å; E517-R520 IonicContact OE2-NE 3.53Å; E517-R520 PolarHBondContact OE2-NE 2.99Å; E517-R520 IonicContact OE2-NH2 3.62Å; E517-R520 PolarHBondContact OE2-NH2 3.01Å; R520-Q522 PolarHBondContact O-N 2.82Å; R520-Q523 WeakPolarHBondContact O-CA 3.34Å; R520-Q523 WeakPolarHBondContact O-CB 3.47Å; R520-Q523 PolarHBondContact O-N 3.26Å; R520-Q524 PolarHBondContact O-N 3.25Å; R520-V1509 HydrophobicContact CB-CG1 4.1Å; R520-V1509 HydrophobicContact CG-CG1 4.03Å; R520-V1509 PolarHBondContact NH1-O 3.24Å; R520-V1509 PolarHBondContact NH2-O 3.49Å; R520-V1509 WeakPolarHBondContact O-CB 3.4Å; R520-V1509 WeakPolarHBondContact O-CG1 3.29Å; R520-V1509 VanDerWaalsContact O-CG2 3.23Å; R520-V1509 WeakPolarHBondContact O-CG2 3.46Å; R520-M1510 PolarHBondContact NH1-O 3.11Å |
| 521 | Q | 72 | Confident | 66.5 | Low | 46 Ų | 46 | 95.8 Ų | 95.8 | 22% | 0.215 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -46.1 | -55.9 | 174.3 | -170.6 | 74.8 | 96.4 | 0 | 0 | 112.7 | E517 R518 R519 Q523 D525 S1507 N1508 V1509 | E517-Q521 WeakPolarHBondContact O-CA 3.45Å; E517-Q521 WeakPolarHBondContact O-CB 3.34Å; E517-Q521 PolarHBondContact O-N 3.37Å; R518-Q521 WeakPolarHBondContact O-CB 3.31Å; R519-Q521 VanDerWaalsContact C-N 3.29Å; Q521-Q523 VanDerWaalsContact C-N 3.31Å; Q521-Q523 PolarHBondContact O-N 2.8Å; Q521-D525 WeakPolarHBondContact O-CB 3.32Å; Q521-D525 PolarHBondContact O-N 3.38Å; Q521-S1507 VanDerWaalsContact CD-OG 3.31Å; Q521-S1507 VanDerWaalsContact CG-OG 3.27Å; Q521-S1507 WeakPolarHBondContact CG-OG 3.4Å; Q521-S1507 PolarHBondContact NE2-O 3.4Å; Q521-S1507 PolarHBondContact NE2-OG 3.49Å; Q521-S1507 PolarHBondContact OE1-O 2.98Å; Q521-N1508 PolarHBondContact NE2-O 2.79Å; Q521-V1509 WeakPolarHBondContact O-CG2 3.32Å |
| 522 | Q | 73.2 | Confident | 64.6 | Low | 99 Ų | 99 | 100.8 Ų | 100.8 | 46% | 0.463 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -70.2 | -26.5 | 177 | -173.5 | 153.7 | 55.1 | 0 | 0 | 112.8 | R518 R519 R520 N526 | R518-Q522 WeakPolarHBondContact O-CB 3.28Å; R518-Q522 PolarHBondContact O-N 2.95Å; R519-Q522 PolarHBondContact O-N 2.84Å; R520-Q522 PolarHBondContact O-N 2.82Å; Q522-N526 WeakPolarHBondContact O-CB 3.07Å; Q522-N526 VanDerWaalsContact O-CG 3.24Å; Q522-N526 PolarHBondContact O-N 3.4Å; Q522-N526 PolarHBondContact O-ND2 3.12Å |
| 523 | Q | 69.3 | Low | 62.5 | Low | 111 Ų | 111 | 103.9 Ų | 103.9 | 52% | 0.519 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -72.8 | -41.1 | -179.8 | 177.5 | 171.4 | -17.3 | 0 | 0 | 112.7 | R519 R520 Q521 N526 E527 | R519-Q523 WeakPolarHBondContact O-CA 3.41Å; R519-Q523 WeakPolarHBondContact O-CB 3.39Å; R519-Q523 PolarHBondContact O-N 3.3Å; R520-Q523 WeakPolarHBondContact O-CA 3.34Å; R520-Q523 WeakPolarHBondContact O-CB 3.47Å; R520-Q523 PolarHBondContact O-N 3.26Å; Q521-Q523 VanDerWaalsContact C-N 3.31Å; Q521-Q523 PolarHBondContact O-N 2.8Å; Q523-N526 CarbonylContact O-C 3.38Å; Q523-N526 WeakPolarHBondContact O-CA 3.44Å; Q523-N526 VanDerWaalsContact O-CB 3.29Å; Q523-N526 WeakPolarHBondContact O-CB 3.49Å; Q523-N526 PolarHBondContact O-N 3.23Å; Q523-E527 WeakPolarHBondContact CG-OE1 3.31Å; Q523-E527 PolarHBondContact NE2-OE1 3.04Å; Q523-E527 WeakPolarHBondContact O-CG 3.24Å; Q523-E527 PolarHBondContact O-N 3.35Å |
| 524 | Q | 61.7 | Low | 60.4 | Low | 29 Ų | 29 | 102.2 Ų | 102.2 | 14% | 0.136 | 48% | 0.484 | C | S | . | . | H | α-helix | trans | -96 | -7.6 | 171.7 | 160.4 | -154.4 | 122.4 | 0 | 0 | 114.8 | R520 E527 H528 V1509 M1510 | R520-Q524 PolarHBondContact O-N 3.25Å; Q524-E527 HydrophobicContact CB-CB 3.91Å; Q524-E527 HydrophobicContact CB-CG 4.49Å; Q524-E527 HydrophobicContact CG-CB 4.3Å; Q524-E527 PolarHBondContact O-N 3.02Å; Q524-H528 VanDerWaalsContact O-CB 3.27Å; Q524-H528 WeakPolarHBondContact O-CB 3.48Å; Q524-H528 PolarHBondContact O-N 3.05Å; Q524-V1509 VanDerWaalsContact CA-CG2 3.44Å; Q524-V1509 HydrophobicContact CB-CB 3.9Å; Q524-V1509 HydrophobicContact CB-CG1 3.61Å; Q524-V1509 HydrophobicContact CB-CG2 3.24Å; Q524-V1509 HydrophobicContact CG-CB 4.35Å; Q524-V1509 HydrophobicContact CG-CG1 4.32Å; Q524-V1509 HydrophobicContact CG-CG2 3.69Å; Q524-V1509 VanDerWaalsContact OE1-CA 3.27Å; Q524-M1510 VanDerWaalsContact OE1-CE 3.23Å |
| 525 | D | 57.8 | Low | 58.2 | Low | 51 Ų | 51 | 101.9 Ų | 101.9 | 27% | 0.273 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -56.3 | -45.1 | 146.8 | -79 | -25 | 0 | 0 | 0 | 109.9 | Q521 C529 S1507 N1508 | Q521-D525 WeakPolarHBondContact O-CB 3.32Å; Q521-D525 PolarHBondContact O-N 3.38Å; D525-C529 WeakPolarHBondContact O-CB 3.41Å; D525-C529 PolarHBondContact O-N 2.82Å; D525-C529 PolarHBondContact O-SG 3.43Å; D525-S1507 WeakPolarHBondContact OD1-CB 3.49Å; D525-S1507 WeakPolarHBondContact OD2-CB 3.35Å; D525-S1507 PolarHBondContact OD2-OG 3.14Å; D525-N1508 PolarHBondContact OD1-ND2 2.84Å |
| 526 | N | 57.5 | Low | 56 | Low | 81 Ų | 81 | 107.3 Ų | 107.3 | 43% | 0.433 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -69.1 | -39 | 173.4 | -74.6 | -23.6 | 0 | 0 | 0 | 113.4 | Q522 Q523 C529 H530 | Q522-N526 WeakPolarHBondContact O-CB 3.07Å; Q522-N526 VanDerWaalsContact O-CG 3.24Å; Q522-N526 PolarHBondContact O-N 3.4Å; Q522-N526 PolarHBondContact O-ND2 3.12Å; Q523-N526 CarbonylContact O-C 3.38Å; Q523-N526 WeakPolarHBondContact O-CA 3.44Å; Q523-N526 VanDerWaalsContact O-CB 3.29Å; Q523-N526 WeakPolarHBondContact O-CB 3.49Å; Q523-N526 PolarHBondContact O-N 3.23Å; N526-C529 CarbonylContact O-C 3.58Å; N526-C529 WeakPolarHBondContact O-CA 3.43Å; N526-C529 WeakPolarHBondContact O-CB 3.34Å; N526-C529 PolarHBondContact O-N 3.4Å; N526-C529 VanDerWaalsContact O-N 3.07Å; N526-H530 WeakPolarHBondContact O-CB 3.18Å; N526-H530 PolarHBondContact O-N 3.05Å; N526-H530 PolarHBondContact O-ND1 3.3Å |
| 527 | E | 55.1 | Low | 53.8 | Low | 96 Ų | 96 | 108.4 Ų | 108.4 | 45% | 0.449 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -70.1 | -35.6 | 177.4 | -68.7 | 165.6 | -168.9 | 0 | 0 | 112.3 | Q523 Q524 C529 H530 H531 | Q523-E527 WeakPolarHBondContact CG-OE1 3.31Å; Q523-E527 PolarHBondContact NE2-OE1 3.04Å; Q523-E527 WeakPolarHBondContact O-CG 3.24Å; Q523-E527 PolarHBondContact O-N 3.35Å; Q524-E527 HydrophobicContact CB-CB 3.91Å; Q524-E527 HydrophobicContact CB-CG 4.49Å; Q524-E527 HydrophobicContact CG-CB 4.3Å; Q524-E527 PolarHBondContact O-N 3.02Å; E527-C529 PolarHBondContact O-N 2.9Å; E527-H530 PolarHBondContact O-N 3.2Å; E527-H531 PolarHBondContact O-N 3.19Å |
| 528 | H | 43.5 | Very low | 51.5 | Low | 142 Ų | 142 | 115.3 Ų | 115.3 | 66% | 0.657 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -66.2 | -26.9 | 168.1 | -134.1 | 83.9 | 0 | 0 | 0 | 111.6 | Q524 | Q524-H528 VanDerWaalsContact O-CB 3.27Å; Q524-H528 WeakPolarHBondContact O-CB 3.48Å; Q524-H528 PolarHBondContact O-N 3.05Å |
| 529 | C | 38 | Very low | 49 | Very low | 83 Ų | 83 | 118.1 Ų | 118.1 | 56% | 0.561 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -83.6 | -10.6 | 167.9 | -64.7 | 0 | 0 | 0 | 0 | 114.7 | D525 N526 E527 H532 | D525-C529 WeakPolarHBondContact O-CB 3.41Å; D525-C529 PolarHBondContact O-N 2.82Å; D525-C529 PolarHBondContact O-SG 3.43Å; N526-C529 CarbonylContact O-C 3.58Å; N526-C529 WeakPolarHBondContact O-CA 3.43Å; N526-C529 WeakPolarHBondContact O-CB 3.34Å; N526-C529 PolarHBondContact O-N 3.4Å; N526-C529 VanDerWaalsContact O-N 3.07Å; E527-C529 PolarHBondContact O-N 2.9Å; C529-H532 PolarHBondContact O-N 2.75Å |
| 530 | H | 39.6 | Very low | 46.4 | Very low | 97 Ų | 97 | 117.1 Ų | 117.1 | 45% | 0.449 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -97.6 | -4.7 | -177 | -73.3 | -11.5 | 0 | 0 | 0 | 114.3 | N526 E527 H532 Q533 | N526-H530 WeakPolarHBondContact O-CB 3.18Å; N526-H530 PolarHBondContact O-N 3.05Å; N526-H530 PolarHBondContact O-ND1 3.3Å; E527-H530 PolarHBondContact O-N 3.2Å; H530-H532 PolarHBondContact O-N 3.1Å; H530-Q533 PolarHBondContact O-N 2.95Å |
| 531 | H | 35.5 | Very low | 44.4 | Very low | 181 Ų | 181 | 118.3 Ų | 118.3 | 84% | 0.838 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.8 | 14.8 | 151.5 | -92.7 | -17.5 | 0 | 0 | 0 | 114.6 | E527 | E527-H531 PolarHBondContact O-N 3.19Š|
| 532 | H | 34 | Very low | 42.4 | Very low | 162 Ų | 162 | 123.9 Ų | 123.9 | 75% | 0.75 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -125.2 | 37.8 | 156.7 | -95.3 | -74.7 | 0 | 0 | 0 | 114.8 | C529 H530 S534 | C529-H532 PolarHBondContact O-N 2.75Å; H530-H532 PolarHBondContact O-N 3.1Å; H532-S534 PolarHBondContact O-N 3.31Å |
| 533 | Q | 33 | Very low | 40.2 | Very low | 146 Ų | 146 | 126.7 Ų | 126.7 | 68% | 0.682 | 63% | 0.634 | S | S | * | * | | | trans | -74.7 | 74.3 | 153.1 | -79.1 | -160.1 | 2.4 | 0 | 0 | 111.4 | H530 N535 | H530-Q533 PolarHBondContact O-N 2.95Å; Q533-N535 PolarHBondContact O-N 2.92Å |
| 534 | S | 31.9 | Very low | 38.3 | Very low | 88 Ų | 88 | 129.4 Ų | 129.4 | 62% | 0.615 | 64% | 0.641 | S | S | * | * | | | trans | -72.7 | 116.5 | 155.6 | 47.4 | 0 | 0 | 0 | 0 | 109.2 | H532 E536 | H532-S534 PolarHBondContact O-N 3.31Å; S534-E536 VanDerWaalsContact C-N 3.34Å; S534-E536 PolarHBondContact O-N 3.12Å |
| 535 | N | 31.6 | Very low | 36.8 | Very low | 144 Ų | 144 | 134.5 Ų | 134.5 | 77% | 0.77 | 67% | 0.674 | S | S | * | * | | | trans | -64.4 | 89.2 | 170.1 | -88.3 | -32.6 | 0 | 0 | 0 | 110.9 | Q533 | Q533-N535 PolarHBondContact O-N 2.92Š|
| 536 | E | 35.8 | Very low | 35.4 | Very low | 180 Ų | 180 | 138.6 Ų | 138.6 | 84% | 0.841 | 70% | 0.696 | S | S | * | * | | | trans | -87.8 | 114.8 | 151.2 | -75 | -89.2 | 106.2 | 0 | 0 | 106.6 | S534 | S534-E536 VanDerWaalsContact C-N 3.34Å; S534-E536 PolarHBondContact O-N 3.12Å |
| 537 | N | 34 | Very low | 34.2 | Very low | 142 Ų | 142 | 139.3 Ų | 139.3 | 76% | 0.759 | 71% | 0.708 | S | S | * | * | | | trans | -67.6 | 147.4 | -170.1 | -83.1 | -58.9 | 0 | 0 | 0 | 112.5 | H539 | N537-H539 PolarHBondContact O-N 3.33Š|
| 538 | K | 30.8 | Very low | 33 | Very low | 193 Ų | 193 | 138.5 Ų | 138.5 | 84% | 0.839 | 73% | 0.725 | S | S | * | * | | | trans | -58.9 | 95.2 | 164.5 | -66.5 | 177.5 | -178.5 | 177 | 0 | 110.1 | L540 | K538-L540 HydrophobicContact CB-CD1 4.41Š|
| 539 | H | 30.6 | Very low | 32.3 | Very low | 174 Ų | 174 | 139.7 Ų | 139.7 | 81% | 0.806 | 73% | 0.731 | S | S | * | * | | | trans | -96.5 | 100.6 | 156.6 | -133.7 | -68 | 0 | 0 | 0 | 108.6 | N537 | N537-H539 PolarHBondContact O-N 3.33Š|
| 540 | L | 30.1 | Very low | 32 | Very low | 135 Ų | 135 | 145.4 Ų | 145.4 | 71% | 0.707 | 75% | 0.746 | S | S | * | * | | | trans | -65 | 159.7 | 173.3 | -106.1 | 80.1 | 0 | 0 | 0 | 110.7 | K538 | K538-L540 HydrophobicContact CB-CD1 4.41Š|
| 541 | P | 36.3 | Very low | 31.4 | Very low | 104 Ų | 104 | 147.5 Ų | 147.5 | 68% | 0.675 | 76% | 0.759 | S | S | * | * | | | trans | -82.4 | 151.1 | -140.7 | 30.9 | -38.1 | 0 | 0 | 0 | 114 | | |
| 542 | F | 30.8 | Very low | 31.1 | Very low | 163 Ų | 163 | 145.1 Ų | 145.1 | 72% | 0.715 | 76% | 0.757 | S | S | * | * | | | trans | -124.7 | 101.8 | 159.6 | -96.6 | -77.3 | 0 | 0 | 0 | 110.8 | Y544 | F542-Y544 HydrophobicContact CB-CD2 4.22Å; F542-Y544 AromaticContact CD1-CD2 3.63Å; F542-Y544 HydrophobicContact CD1-CD2 3.63Å; F542-Y544 AromaticContact CD1-CE2 3.46Å; F542-Y544 HydrophobicContact CD1-CE2 3.46Å; F542-Y544 VanDerWaalsContact CD1-CE2 3.46Å; F542-Y544 HydrophobicContact CE1-CD2 4.43Å; F542-Y544 AromaticContact CE1-CE2 3.82Å; F542-Y544 HydrophobicContact CE1-CE2 3.82Å; F542-Y544 HydrophobicContact CG-CD2 4.25Å; F542-Y544 HydrophobicContact CG-CE2 4.39Å; F542-Y544 PolarHBondContact O-N 2.98Å |
| 543 | N | 28.2 | Very low | 30.9 | Very low | 159 Ų | 159 | 142.6 Ų | 142.6 | 85% | 0.85 | 76% | 0.756 | S | S | * | * | | | trans | -67 | 96.4 | 157.2 | -79.2 | -29 | 0 | 0 | 0 | 108.1 | | |
| 544 | Y | 28.7 | Very low | 30.8 | Very low | 168 Ų | 168 | 144.9 Ų | 144.9 | 66% | 0.659 | 77% | 0.766 | S | S | * | * | | | trans | -109.5 | 85.2 | 163.5 | -99.8 | -70.8 | 0 | 0 | 0 | 110.3 | F542 N546 | F542-Y544 HydrophobicContact CB-CD2 4.22Å; F542-Y544 AromaticContact CD1-CD2 3.63Å; F542-Y544 HydrophobicContact CD1-CD2 3.63Å; F542-Y544 AromaticContact CD1-CE2 3.46Å; F542-Y544 HydrophobicContact CD1-CE2 3.46Å; F542-Y544 VanDerWaalsContact CD1-CE2 3.46Å; F542-Y544 HydrophobicContact CE1-CD2 4.43Å; F542-Y544 AromaticContact CE1-CE2 3.82Å; F542-Y544 HydrophobicContact CE1-CE2 3.82Å; F542-Y544 HydrophobicContact CG-CD2 4.25Å; F542-Y544 HydrophobicContact CG-CE2 4.39Å; F542-Y544 PolarHBondContact O-N 2.98Å; Y544-N546 PolarHBondContact O-N 3.01Å |
| 545 | T | 29.4 | Very low | 30.6 | Very low | 135 Ų | 135 | 148.2 Ų | 148.2 | 83% | 0.828 | 78% | 0.776 | S | S | * | * | | | trans | -65.6 | 67.1 | 156.7 | 32.5 | 0 | 0 | 0 | 0 | 109.9 | S547 | T545-S547 PolarHBondContact O-N 3.23Š|
| 546 | N | 29.9 | Very low | 30.6 | Very low | 138 Ų | 138 | 147.9 Ų | 147.9 | 74% | 0.738 | 78% | 0.779 | S | S | * | * | | | trans | -72.5 | 94 | 173.3 | -103.4 | -26.7 | 0 | 0 | 0 | 109.2 | Y544 G548 | Y544-N546 PolarHBondContact O-N 3.01Å; N546-G548 PolarHBondContact O-N 3.37Å |
| 547 | S | 31.8 | Very low | 30.2 | Very low | 96 Ų | 96 | 146.1 Ų | 146.1 | 67% | 0.671 | 78% | 0.775 | S | S | * | * | | | trans | -63.9 | 112 | 172.8 | 43.4 | 0 | 0 | 0 | 0 | 109.9 | T545 Q549 | T545-S547 PolarHBondContact O-N 3.23Å; S547-Q549 VanDerWaalsContact C-N 3.26Å; S547-Q549 PolarHBondContact O-N 3.39Å |
| 548 | G | 28.7 | Very low | 30.2 | Very low | 79 Ų | 79 | 144.4 Ų | 144.4 | 81% | 0.814 | 77% | 0.771 | S | S | * | * | | | trans | -67.8 | 79.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | N546 K550 | N546-G548 PolarHBondContact O-N 3.37Å; G548-K550 PolarHBondContact O-N 3.04Å |
| 549 | Q | 30.6 | Very low | 30.1 | Very low | 166 Ų | 166 | 143.7 Ų | 143.7 | 78% | 0.776 | 77% | 0.771 | S | S | * | * | | | trans | -60.5 | 102 | 173.6 | -71.4 | -176 | -16.7 | 0 | 0 | 110.3 | S547 I551 | S547-Q549 VanDerWaalsContact C-N 3.26Å; S547-Q549 PolarHBondContact O-N 3.39Å; Q549-I551 PolarHBondContact O-N 3.08Å |
| 550 | K | 30.2 | Very low | 29.8 | Very low | 203 Ų | 203 | 140.1 Ų | 140.1 | 88% | 0.883 | 77% | 0.765 | S | S | * | * | | | trans | -88.3 | 93.6 | 168.3 | -152.6 | 170.4 | -171.5 | 177.8 | 0 | 109.5 | G548 T552 | G548-K550 PolarHBondContact O-N 3.04Å; K550-T552 PolarHBondContact O-N 3.11Å |
| 551 | I | 27.3 | Very low | 29.8 | Very low | 141 Ų | 141 | 138.7 Ų | 138.7 | 72% | 0.723 | 77% | 0.766 | S | S | * | * | | | trans | -52.4 | 127.6 | -176 | -61.6 | 156.2 | 0 | 0 | 0 | 111.1 | Q549 | Q549-I551 PolarHBondContact O-N 3.08Š|
| 552 | T | 29.8 | Very low | 29.3 | Very low | 131 Ų | 131 | 142.9 Ų | 142.9 | 80% | 0.804 | 78% | 0.777 | S | S | * | * | | | trans | -132.1 | 116.4 | 156.1 | -45.6 | 0 | 0 | 0 | 0 | 107.1 | K550 | K550-T552 PolarHBondContact O-N 3.11Š|
| 553 | P | 29.2 | Very low | 29.4 | Very low | 110 Ų | 110 | 144.5 Ų | 144.5 | 71% | 0.714 | 79% | 0.787 | S | S | * | * | | | trans | -82.9 | 131.3 | -170 | 31.3 | -33.5 | 0 | 0 | 0 | 112.1 | | |
| 554 | Q | 31 | Very low | 29.7 | Very low | 194 Ų | 194 | 142.5 Ų | 142.5 | 91% | 0.907 | 78% | 0.783 | S | S | * | * | | | trans | -116.1 | 143.8 | 148.7 | -77.3 | -151.5 | 3.8 | 0 | 0 | 109.8 | | |
| 555 | L | 27.3 | Very low | 29.6 | Very low | 158 Ų | 158 | 140.9 Ų | 140.9 | 83% | 0.827 | 79% | 0.794 | S | S | * | * | | | trans | -118.4 | 101.7 | -165 | 179.7 | 81.5 | 0 | 0 | 0 | 109.1 | | |
| 556 | V | 33.2 | Very low | 29.7 | Very low | 136 Ų | 136 | 137.7 Ų | 137.7 | 82% | 0.824 | 79% | 0.789 | S | S | * | * | | | trans | -134.2 | 135.3 | 167.8 | -174 | 0 | 0 | 0 | 0 | 108.4 | | |
| 557 | L | 26.2 | Very low | 29.7 | Very low | 143 Ų | 143 | 141 Ų | 141 | 75% | 0.749 | 80% | 0.797 | S | S | * | * | | | trans | -108.3 | 170.8 | -172 | -84.7 | 163.4 | 0 | 0 | 0 | 111 | | |
| 558 | P | 34.3 | Very low | 29.8 | Very low | 106 Ų | 106 | 144.8 Ų | 144.8 | 69% | 0.688 | 80% | 0.804 | S | S | * | * | | | trans | -101 | 151.6 | -145 | 37.8 | -37.1 | 0 | 0 | 0 | 116.5 | | |
| 559 | H | 29.2 | Very low | 30 | Very low | 178 Ų | 178 | 149.2 Ų | 149.2 | 82% | 0.824 | 80% | 0.803 | S | S | * | * | | | trans | -143.9 | 136.6 | 160.1 | -73.4 | -68.8 | 0 | 0 | 0 | 107.9 | | |
| 560 | S | 23.8 | Very low | 30.2 | Very low | 99 Ų | 99 | 148.3 Ų | 148.3 | 69% | 0.692 | 80% | 0.804 | S | S | * | * | | | cis | 109.9 | 78.6 | 17.9 | 75.9 | 0 | 0 | 0 | 0 | 114.1 | | |
| 561 | S | 29.9 | Very low | 30.2 | Very low | 105 Ų | 105 | 143.8 Ų | 143.8 | 73% | 0.734 | 80% | 0.797 | S | S | * | * | | | trans | -171.7 | 118.5 | 159.7 | 49.7 | 0 | 0 | 0 | 0 | 107.7 | | |
| 562 | Q | 26.7 | Very low | 30.5 | Very low | 192 Ų | 192 | 142.2 Ų | 142.2 | 90% | 0.897 | 80% | 0.795 | S | S | * | * | | | | 70.2 | 92.7 | 68.3 | -70.1 | -178.9 | -43.4 | 0 | 0 | 114.3 | | |
| 563 | E | 32.5 | Very low | 30.6 | Very low | 197 Ų | 197 | 143.7 Ų | 143.7 | 92% | 0.921 | 80% | 0.799 | S | S | * | * | | | trans | -149.6 | 145.4 | 136.5 | -124.2 | 173.3 | 179 | 0 | 0 | 109 | | |
| 564 | P | 33.4 | Very low | 30.8 | Very low | 118 Ų | 118 | 148.2 Ų | 148.2 | 77% | 0.766 | 80% | 0.803 | S | S | * | * | | | trans | -107.4 | 152.6 | -162.6 | 38.6 | -31.8 | 0 | 0 | 0 | 114.9 | | |
| 565 | C | 28.4 | Very low | 30.9 | Very low | 133 Ų | 133 | 142.9 Ų | 142.9 | 90% | 0.899 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -76.7 | 144.5 | 162 | -58.8 | 0 | 0 | 0 | 0 | 110.7 | | |
| 566 | G | 31.2 | Very low | 30.9 | Very low | 69 Ų | 69 | 143.5 Ų | 143.5 | 71% | 0.711 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -88.1 | 163.6 | 170 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 567 | F | 28.8 | Very low | 31.1 | Very low | 206 Ų | 206 | 145.2 Ų | 145.2 | 90% | 0.904 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -49.7 | 157.1 | 162.9 | -61 | -99.2 | 0 | 0 | 0 | 110.5 | | |
| 568 | E | 34 | Very low | 31.1 | Very low | 176 Ų | 176 | 146.7 Ų | 146.7 | 82% | 0.822 | 80% | 0.795 | S | S | * | * | | | cis | -139.6 | 179.9 | 43.8 | -75.1 | 158.3 | 142.1 | 0 | 0 | 115.6 | | |
| 569 | E | 32.9 | Very low | 30.9 | Very low | 172 Ų | 172 | 149.3 Ų | 149.3 | 80% | 0.804 | 80% | 0.802 | S | S | * | * | | | trans | -43.3 | 160.9 | 178.8 | -68.9 | 146.3 | 145.4 | 0 | 0 | 116.2 | | |
| 570 | D | 35.4 | Very low | 30.7 | Very low | 148 Ų | 148 | 148.5 Ų | 148.5 | 79% | 0.791 | 80% | 0.798 | S | S | * | * | | | cis | -142.6 | 179.9 | 25.1 | -150.8 | -15.5 | 0 | 0 | 0 | 114.2 | | |
| 571 | C | 30.1 | Very low | 31.1 | Very low | 108 Ų | 108 | 152.8 Ų | 152.8 | 73% | 0.73 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -85.4 | 158.2 | -152.8 | -67.6 | 0 | 0 | 0 | 0 | 117 | | |
| 572 | P | 33.3 | Very low | 31 | Very low | 107 Ų | 107 | 154.9 Ų | 154.9 | 70% | 0.695 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -87.3 | 152.9 | -177.3 | 35.5 | -36.5 | 0 | 0 | 0 | 114 | | |
| 573 | D | 32.3 | Very low | 31 | Very low | 163 Ų | 163 | 149.3 Ų | 149.3 | 87% | 0.872 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -85.9 | 160.4 | 162.5 | -150.6 | -15.4 | 0 | 0 | 0 | 111.5 | | |
| 574 | Y | 33 | Very low | 30.7 | Very low | 205 Ų | 205 | 147.4 Ų | 147.4 | 80% | 0.804 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -102.1 | 144.2 | -144.4 | -110.5 | -109.8 | 0 | 0 | 0 | 116.7 | | |
| 575 | S | 32.7 | Very low | 30.7 | Very low | 82 Ų | 82 | 149.7 Ų | 149.7 | 57% | 0.573 | 80% | 0.803 | S | S | * | * | | | trans | 70.1 | 117.4 | 141.3 | -154.4 | 0 | 0 | 0 | 0 | 120.1 | Q577 | S575-Q577 PolarHBondContact O-N 2.83Š|
| 576 | N | 28.7 | Very low | 30.6 | Very low | 170 Ų | 170 | 150.2 Ų | 150.2 | 91% | 0.909 | 80% | 0.797 | S | S | * | * | | | trans | -72.1 | 112.4 | 151.8 | -76.2 | -83.1 | 0 | 0 | 0 | 109.8 | | |
| 577 | Q | 35.7 | Very low | 30.7 | Very low | 173 Ų | 173 | 152.6 Ų | 152.6 | 81% | 0.808 | 80% | 0.803 | S | S | * | * | | | trans | -126 | 124.8 | 154.4 | -73 | -164.1 | 12 | 0 | 0 | 111 | S575 | S575-Q577 PolarHBondContact O-N 2.83Š|
| 578 | M | 26.4 | Very low | 30.7 | Very low | 174 Ų | 174 | 150.3 Ų | 150.3 | 86% | 0.857 | 80% | 0.795 | S | S | * | * | | | trans | -75.4 | 140.5 | 161.3 | -64.3 | 176.7 | -79.6 | 0 | 0 | 109 | | |
| 579 | I | 29.8 | Very low | 30.8 | Very low | 160 Ų | 160 | 149 Ų | 149 | 82% | 0.821 | 79% | 0.794 | S | S | * | * | | | trans | 170.3 | 95.2 | 131.7 | -84.9 | 152.6 | 0 | 0 | 0 | 110.6 | | |
| 580 | Q | 25.7 | Very low | 30.9 | Very low | 161 Ų | 161 | 146.4 Ų | 146.4 | 75% | 0.752 | 78% | 0.784 | S | S | * | * | | | | 43.8 | 88.9 | 123.3 | -161.9 | 171.4 | 20.5 | 0 | 0 | 121.5 | | |
| 581 | E | 32.8 | Very low | 30.9 | Very low | 190 Ų | 190 | 148 Ų | 148 | 89% | 0.888 | 79% | 0.791 | S | S | * | * | | | trans | -129.9 | 140.6 | 136.4 | -67.1 | -169.6 | 138.8 | 0 | 0 | 105.8 | | |
| 582 | I | 27.6 | Very low | 30.9 | Very low | 148 Ų | 148 | 150.3 Ų | 150.3 | 76% | 0.759 | 79% | 0.791 | S | S | * | * | | | cis | 70.4 | 89 | 30.6 | -48.8 | -179 | 0 | 0 | 0 | 113.3 | | |
| 583 | G | 25.9 | Very low | 30.6 | Very low | 76 Ų | 76 | 150.2 Ų | 150.2 | 78% | 0.784 | 79% | 0.793 | S | S | * | * | | | trans | 166.5 | 115 | 168.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 584 | D | 26.8 | Very low | 30.7 | Very low | 156 Ų | 156 | 147.9 Ų | 147.9 | 83% | 0.834 | 79% | 0.787 | S | S | * | * | | | trans | -55.7 | 156.7 | 179.3 | -49.8 | -70 | 0 | 0 | 0 | 115.2 | | |
| 585 | I | 32.5 | Very low | 31 | Very low | 167 Ų | 167 | 143.7 Ų | 143.7 | 86% | 0.856 | 78% | 0.784 | S | S | * | * | | | | -166.5 | 144.3 | 123.5 | -98.8 | 151.8 | 0 | 0 | 0 | 110.8 | | |
| 586 | N | 27.1 | Very low | 31.3 | Very low | 143 Ų | 143 | 145.4 Ų | 145.4 | 77% | 0.765 | 79% | 0.793 | S | S | * | * | | | trans | -89.7 | 144.5 | 172.2 | -79.2 | -81.8 | 0 | 0 | 0 | 111.3 | | |
| 587 | S | 32.5 | Very low | 32.1 | Very low | 119 Ų | 119 | 142.7 Ų | 142.7 | 83% | 0.832 | 79% | 0.785 | S | S | * | * | | | trans | -142.4 | 144.6 | 143.9 | 58.7 | 0 | 0 | 0 | 0 | 110.2 | | |
| 588 | Q | 30.3 | Very low | 32.4 | Very low | 158 Ų | 158 | 140 Ų | 140 | 74% | 0.738 | 78% | 0.783 | S | S | * | * | | | trans | -126.7 | 135.8 | -178.3 | -67.6 | 178 | -21 | 0 | 0 | 109.1 | | |
| 589 | N | 36.1 | Very low | 33.1 | Very low | 150 Ų | 150 | 137.5 Ų | 137.5 | 80% | 0.802 | 78% | 0.779 | S | S | * | * | | | trans | -154.9 | 100.6 | 152.9 | -95.6 | -41.2 | 0 | 0 | 0 | 106.6 | | |
| 590 | I | 33.5 | Very low | 33.9 | Very low | 116 Ų | 116 | 135.4 Ų | 135.4 | 60% | 0.595 | 78% | 0.776 | S | S | * | * | | | | 70.2 | 87.3 | 71.1 | -57.5 | 169 | 0 | 0 | 0 | 111.7 | Q592 | I590-Q592 HydrophobicContact CG2-CB 4.43Š|
| 591 | I | 37 | Very low | 34.8 | Very low | 181 Ų | 181 | 133.3 Ų | 133.3 | 93% | 0.928 | 78% | 0.776 | S | S | * | * | | | trans | -121 | 136.8 | 130.1 | -62.4 | -178.5 | 0 | 0 | 0 | 105.2 | | |
| 592 | Q | 29.6 | Very low | 35.2 | Very low | 158 Ų | 158 | 129.7 Ų | 129.7 | 74% | 0.738 | 77% | 0.77 | S | S | * | * | | | trans | -141.8 | 146.3 | -160.2 | -166.2 | -175.6 | 34.5 | 0 | 0 | 113.1 | I590 | I590-Q592 HydrophobicContact CG2-CB 4.43Š|
| 593 | S | 27.4 | Very low | 35.8 | Very low | 105 Ų | 105 | 128.6 Ų | 128.6 | 73% | 0.734 | 77% | 0.772 | S | S | * | * | | | trans | 68.9 | 166.2 | 164.9 | 80.4 | 0 | 0 | 0 | 0 | 117.2 | | |
| 594 | P | 33.1 | Very low | 36.1 | Very low | 114 Ų | 114 | 135.9 Ų | 135.9 | 74% | 0.74 | 78% | 0.778 | S | S | * | * | | | cis | -112 | 165.2 | -15.8 | 41.9 | -31.1 | 0 | 0 | 0 | 110.9 | | |
| 595 | P | 39.3 | Very low | 36.4 | Very low | 116 Ų | 116 | 138 Ų | 138 | 75% | 0.753 | 78% | 0.779 | S | S | * | * | | | | -134.4 | 166.8 | 56.6 | 29.5 | -7.7 | 0 | 0 | 0 | 115.6 | | |
| 596 | P | 40.1 | Very low | 36.7 | Very low | 118 Ų | 118 | 137 Ų | 137 | 77% | 0.766 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -85.8 | 128.2 | -173.8 | 32.4 | -33.9 | 0 | 0 | 0 | 113.9 | | |
| 597 | P | 44.9 | Very low | 36.9 | Very low | 113 Ų | 113 | 135.3 Ų | 135.3 | 73% | 0.734 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 152.6 | 160.9 | -18.7 | 33.2 | 0 | 0 | 0 | 111.5 | | |
| 598 | P | 42.1 | Very low | 37 | Very low | 117 Ų | 117 | 136.7 Ų | 136.7 | 76% | 0.76 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 154.2 | -174.3 | 27.3 | -35.2 | 0 | 0 | 0 | 113.5 | | |
| 599 | P | 40.7 | Very low | 37.1 | Very low | 121 Ų | 121 | 137.8 Ų | 137.8 | 79% | 0.786 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -68.4 | 130.9 | -174.9 | 27.2 | -34.8 | 0 | 0 | 0 | 112.4 | | |
| 600 | P | 46.1 | Very low | 37 | Very low | 116 Ų | 116 | 138.6 Ų | 138.6 | 75% | 0.753 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -68 | 148.7 | 171.1 | 28.6 | -33.7 | 0 | 0 | 0 | 111.2 | | |
| 601 | P | 46 | Very low | 37.1 | Very low | 117 Ų | 117 | 141 Ų | 141 | 76% | 0.76 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 154.8 | -173.1 | 26 | -34.7 | 0 | 0 | 0 | 113.5 | | |
| 602 | P | 40.5 | Very low | 36.9 | Very low | 115 Ų | 115 | 138.2 Ų | 138.2 | 75% | 0.747 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 148.2 | -169.5 | 25.4 | -35 | 0 | 0 | 0 | 113.7 | | |
| 603 | P | 40.1 | Very low | 37.1 | Very low | 124 Ų | 124 | 135.5 Ų | 135.5 | 81% | 0.805 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 147.7 | -179.9 | -24 | 34.3 | 0 | 0 | 0 | 114.1 | K605 | P603-K605 PolarHBondContact O-N 3.46Š|
| 604 | Y | 32.5 | Very low | 37.3 | Very low | 230 Ų | 230 | 137.2 Ų | 137.2 | 90% | 0.902 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 133.5 | 173.4 | -89.5 | -106.9 | 0 | 0 | 0 | 111.6 | I606 | Y604-I606 PolarHBondContact O-N 3.14Š|
| 605 | K | 33.8 | Very low | 37.4 | Very low | 199 Ų | 199 | 139.6 Ų | 139.6 | 87% | 0.865 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 123.9 | 171.8 | -64.4 | 179.4 | -179.9 | 178.8 | 0 | 109.9 | P603 | P603-K605 PolarHBondContact O-N 3.46Š|
| 606 | I | 37.4 | Very low | 36.9 | Very low | 148 Ų | 148 | 139 Ų | 139 | 76% | 0.759 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -82.2 | 124.5 | 159.2 | -63.6 | 177.7 | 0 | 0 | 0 | 107.2 | Y604 D608 | Y604-I606 PolarHBondContact O-N 3.14Å; I606-D608 PolarHBondContact O-N 3.49Å |
| 607 | P | 31.4 | Very low | 36.5 | Very low | 106 Ų | 106 | 138.2 Ų | 138.2 | 69% | 0.688 | 78% | 0.777 | S | S | * | * | | | trans | -91.4 | 86.3 | -174.3 | 34.8 | -33.8 | 0 | 0 | 0 | 112.1 | | |
| 608 | D | 35.5 | Very low | 35.9 | Very low | 148 Ų | 148 | 142.8 Ų | 142.8 | 79% | 0.791 | 79% | 0.786 | S | S | * | * | | | trans | -85.4 | 118.1 | 168.4 | -88.2 | -50.9 | 0 | 0 | 0 | 111.7 | I606 L610 | I606-D608 PolarHBondContact O-N 3.49Å; D608-L610 PolarHBondContact O-N 2.93Å; D608-L610 VanDerWaalsContact O-N 3.1Å |
| 609 | H | 32.2 | Very low | 35.4 | Very low | 182 Ų | 182 | 146.9 Ų | 146.9 | 84% | 0.843 | 79% | 0.792 | S | S | * | * | | | trans | -80.2 | 81.6 | 178 | -75.1 | -95.6 | 0 | 0 | 0 | 111.7 | | |
| 610 | L | 34.2 | Very low | 34.8 | Very low | 166 Ų | 166 | 149 Ų | 149 | 87% | 0.869 | 79% | 0.794 | S | S | * | * | | | trans | -127 | 109.9 | 160.4 | -75 | 178.7 | 0 | 0 | 0 | 111.2 | D608 | D608-L610 PolarHBondContact O-N 2.93Å; D608-L610 VanDerWaalsContact O-N 3.1Å |
| 611 | Q | 34.8 | Very low | 34 | Very low | 166 Ų | 166 | 150 Ų | 150 | 78% | 0.776 | 79% | 0.793 | S | S | * | * | | | trans | -84.3 | 119.9 | -176.7 | 172.6 | -176 | -25.3 | 0 | 0 | 110.4 | T613 | Q611-T613 WeakPolarHBondContact CG-OG1 3.43Å; Q611-T613 PolarHBondContact NE2-OG1 3.02Å |
| 612 | P | 32.5 | Very low | 33.1 | Very low | 124 Ų | 124 | 151.6 Ų | 151.6 | 81% | 0.805 | 80% | 0.795 | S | S | * | * | | | trans | -71.6 | 132.9 | 161.9 | 30.8 | -31.5 | 0 | 0 | 0 | 109 | | |
| 613 | T | 34.3 | Very low | 32.9 | Very low | 100 Ų | 100 | 150.1 Ų | 150.1 | 61% | 0.613 | 79% | 0.785 | S | S | * | * | | | trans | -140.9 | 134.6 | 168.5 | -56.8 | 0 | 0 | 0 | 0 | 107 | Q611 D615 | Q611-T613 WeakPolarHBondContact CG-OG1 3.43Å; Q611-T613 PolarHBondContact NE2-OG1 3.02Å; T613-D615 PolarHBondContact O-N 3.47Å |
| 614 | D | 32.3 | Very low | 32.2 | Very low | 142 Ų | 142 | 155.6 Ų | 155.6 | 76% | 0.759 | 79% | 0.79 | S | S | * | * | | | trans | -72.5 | 118.9 | -158.9 | -54.7 | -90.1 | 0 | 0 | 0 | 114.2 | S616 | D614-S616 VanDerWaalsContact C-N 3.35Å; D614-S616 PolarHBondContact O-N 3.47Å; D614-S616 PolarHBondContact O-OG 3.38Å |
| 615 | D | 34.1 | Very low | 32.1 | Very low | 163 Ų | 163 | 151.2 Ų | 151.2 | 87% | 0.872 | 79% | 0.787 | S | S | * | * | | | trans | -65.4 | 90.5 | 167.7 | -93.4 | -39.8 | 0 | 0 | 0 | 110.5 | T613 | T613-D615 PolarHBondContact O-N 3.47Š|
| 616 | S | 29.4 | Very low | 31.9 | Very low | 104 Ų | 104 | 146.6 Ų | 146.6 | 73% | 0.727 | 78% | 0.777 | S | S | * | * | | | trans | -127 | 53.5 | -171.8 | 51.4 | 0 | 0 | 0 | 0 | 113.4 | D614 | D614-S616 VanDerWaalsContact C-N 3.35Å; D614-S616 PolarHBondContact O-N 3.47Å; D614-S616 PolarHBondContact O-OG 3.38Å |
| 617 | S | 31.8 | Very low | 31.4 | Very low | 101 Ų | 101 | 144.4 Ų | 144.4 | 71% | 0.706 | 78% | 0.775 | S | S | * | * | | | trans | -161.7 | 67.9 | 163.1 | 57.6 | 0 | 0 | 0 | 0 | 113.6 | F619 | S617-F619 PolarHBondContact O-N 2.98Š|
| 618 | F | 31.5 | Very low | 31.1 | Very low | 210 Ų | 210 | 145.6 Ų | 145.6 | 92% | 0.921 | 78% | 0.776 | S | S | * | * | | | trans | -67.2 | 126.7 | 166.9 | -95.1 | -88.8 | 0 | 0 | 0 | 110.7 | | |
| 619 | F | 31.5 | Very low | 30.6 | Very low | 202 Ų | 202 | 147.5 Ų | 147.5 | 89% | 0.886 | 77% | 0.773 | S | S | * | * | | | trans | -67.1 | 146.8 | -174.2 | -90.4 | -115.4 | 0 | 0 | 0 | 113.1 | S617 | S617-F619 PolarHBondContact O-N 2.98Š|
| 620 | M | 29.4 | Very low | 30.4 | Very low | 166 Ų | 166 | 146.8 Ų | 146.8 | 82% | 0.818 | 77% | 0.77 | S | S | * | * | | | trans | -117 | 132.9 | 157.6 | -130.2 | -171.8 | -173.1 | 0 | 0 | 109.3 | | |
| 621 | N | 28.9 | Very low | 30 | Very low | 138 Ų | 138 | 145.8 Ų | 145.8 | 74% | 0.738 | 77% | 0.765 | S | S | * | * | | | trans | 17.7 | 130.5 | 155.8 | -52.8 | -33.7 | 0 | 0 | 0 | 119.1 | | |
| 622 | N | 27.6 | Very low | 29.7 | Very low | 149 Ų | 149 | 148.3 Ų | 148.3 | 80% | 0.797 | 77% | 0.769 | S | S | * | * | | | | -168.7 | -164.1 | 83 | -147.6 | 13.6 | 0 | 0 | 0 | 110.6 | | |
| 623 | P | 35.4 | Very low | 29.9 | Very low | 84 Ų | 84 | 147.3 Ų | 147.3 | 55% | 0.545 | 76% | 0.762 | S | S | . | * | | | | -118.4 | 152.4 | -110.1 | 36.1 | -19.9 | 0 | 0 | 0 | 117.4 | | |
| 624 | W | 26.5 | Very low | 29.5 | Very low | 239 Ų | 239 | 153.4 Ų | 153.4 | 91% | 0.905 | 78% | 0.775 | S | S | * | * | | | trans | 52.2 | 122.3 | 138.7 | -65.3 | 49.4 | 0 | 0 | 0 | 120.4 | | |
| 625 | V | 29.7 | Very low | 29.3 | Very low | 138 Ų | 138 | 151.8 Ų | 151.8 | 84% | 0.836 | 78% | 0.775 | S | S | * | * | | | | -175.3 | 141.4 | 111.5 | 144.5 | 0 | 0 | 0 | 0 | 109.4 | | |
| 626 | P | 29.2 | Very low | 29 | Very low | 102 Ų | 102 | 152.9 Ų | 152.9 | 66% | 0.662 | 78% | 0.775 | S | S | * | * | | | trans | -104.6 | 150.4 | -172.1 | 38.6 | -34.2 | 0 | 0 | 0 | 115.7 | | |
| 627 | S | 26.5 | Very low | 28.8 | Very low | 103 Ų | 103 | 155.6 Ų | 155.6 | 72% | 0.72 | 78% | 0.781 | S | S | * | * | | | trans | 65.8 | 153.3 | 144.1 | -58.6 | 0 | 0 | 0 | 0 | 122.6 | | |
| 628 | N | 26.6 | Very low | 28.8 | Very low | 130 Ų | 130 | 156.5 Ų | 156.5 | 70% | 0.695 | 78% | 0.784 | S | S | * | * | | | trans | 87 | 140.2 | 145.7 | -76.8 | -15.4 | 0 | 0 | 0 | 122.4 | | |
| 629 | Y | 25.3 | Very low | 28.5 | Very low | 188 Ų | 188 | 154.7 Ų | 154.7 | 74% | 0.737 | 78% | 0.778 | S | S | * | * | | | trans | 57.6 | 96 | 162.3 | -56.9 | -61.7 | 0 | 0 | 0 | 121.5 | | |
| 630 | H | 26.6 | Very low | 28.3 | Very low | 168 Ų | 168 | 153.2 Ų | 153.2 | 78% | 0.778 | 77% | 0.774 | S | S | * | * | | | | 51.9 | 156.3 | 106.1 | -77.1 | -94.9 | 0 | 0 | 0 | 122.4 | | |
| 631 | L | 26.9 | Very low | 28.7 | Very low | 145 Ų | 145 | 150.6 Ų | 150.6 | 76% | 0.759 | 77% | 0.769 | S | S | * | * | | | trans | 94.5 | 120.3 | 164.5 | -84.3 | 70 | 0 | 0 | 0 | 120.7 | | |
| 632 | Y | 27.5 | Very low | 29.2 | Very low | 219 Ų | 219 | 148.3 Ų | 148.3 | 86% | 0.859 | 76% | 0.762 | S | S | * | * | | | trans | 78.5 | 156 | 142.7 | -81.3 | -110.1 | 0 | 0 | 0 | 121.6 | | |
| 633 | P | 37.5 | Very low | 29.5 | Very low | 103 Ų | 103 | 148.9 Ų | 148.9 | 67% | 0.669 | 76% | 0.759 | S | S | * | * | | | trans | -121.7 | 148 | -144.2 | 41.4 | -31.1 | 0 | 0 | 0 | 117.2 | | |
| 634 | Y | 26.4 | Very low | 29 | Very low | 228 Ų | 228 | 151.6 Ų | 151.6 | 89% | 0.894 | 77% | 0.768 | S | S | * | * | | | trans | -172.3 | 110.6 | 143.2 | -114.1 | -83.8 | 0 | 0 | 0 | 104.6 | | |
| 635 | S | 27 | Very low | 29.4 | Very low | 108 Ų | 108 | 147.6 Ų | 147.6 | 76% | 0.755 | 76% | 0.764 | S | S | * | * | | | cis | -157.4 | 144.7 | 48.9 | -52 | 0 | 0 | 0 | 0 | 110.6 | | |
| 636 | Q | 27.7 | Very low | 29.2 | Very low | 185 Ų | 185 | 147.6 Ų | 147.6 | 86% | 0.864 | 76% | 0.755 | S | S | * | * | | | trans | -126.5 | 101.7 | 171.6 | -74.9 | -171.6 | -4.9 | 0 | 0 | 112.2 | | |
| 637 | L | 26.3 | Very low | 29.3 | Very low | 162 Ų | 162 | 149.1 Ų | 149.1 | 85% | 0.848 | 76% | 0.757 | S | S | * | * | | | trans | -130.5 | 151.4 | 148.7 | -85.5 | 170 | 0 | 0 | 0 | 106 | | |
| 638 | P | 30.7 | Very low | 29.3 | Very low | 120 Ų | 120 | 150.9 Ų | 150.9 | 78% | 0.779 | 75% | 0.754 | S | S | * | * | | | cis | -114.3 | 139.1 | 15.8 | 36.7 | -25.3 | 0 | 0 | 0 | 114.3 | | |
| 639 | H | 25.9 | Very low | 29.4 | Very low | 172 Ų | 172 | 153.6 Ų | 153.6 | 80% | 0.796 | 76% | 0.76 | S | S | * | * | | | trans | -86.6 | 131.8 | 160.4 | -102.5 | -87.6 | 0 | 0 | 0 | 110.6 | | |
| 640 | H | 27.8 | Very low | 29.5 | Very low | 170 Ų | 170 | 150.8 Ų | 150.8 | 79% | 0.787 | 75% | 0.753 | S | S | * | * | | | trans | -58.8 | 173.1 | 152.6 | -82 | -83.8 | 0 | 0 | 0 | 111.6 | | |
| 641 | P | 37.1 | Very low | 29.4 | Very low | 112 Ų | 112 | 147.4 Ų | 147.4 | 73% | 0.727 | 74% | 0.738 | S | S | * | * | | | cis | -130.5 | -126.4 | -26.5 | 36.2 | -14.7 | 0 | 0 | 0 | 107.3 | | |
| 642 | P | 40.1 | Very low | 29.7 | Very low | 90 Ų | 90 | 143.6 Ų | 143.6 | 58% | 0.584 | 72% | 0.718 | S | S | * | * | | | cis | -119.4 | 173.2 | -44.1 | 36.5 | -21.4 | 0 | 0 | 0 | 113.3 | | |
| 643 | H | 32.6 | Very low | 29.7 | Very low | 161 Ų | 161 | 137 Ų | 137 | 75% | 0.745 | 69% | 0.694 | S | S | * | * | | | | 167.3 | 113.3 | 124.7 | -90.6 | -74.8 | 0 | 0 | 0 | 106.4 | | |
| 644 | L | 25.9 | Very low | 29.4 | Very low | 140 Ų | 140 | 137.9 Ų | 137.9 | 73% | 0.733 | 69% | 0.692 | S | S | * | * | | | | 74.5 | 137.9 | 75.4 | -92 | 168.1 | 0 | 0 | 0 | 114.1 | | |
| 645 | L | 33.7 | Very low | 29.4 | Very low | 156 Ų | 156 | 134.4 Ų | 134.4 | 82% | 0.817 | 68% | 0.682 | S | S | * | * | | | trans | 83.9 | 138.8 | 179.6 | -54.2 | 173 | 0 | 0 | 0 | 116 | | |
| 646 | H | 25 | Very low | 29.8 | Very low | 138 Ų | 138 | 134.1 Ų | 134.1 | 64% | 0.639 | 68% | 0.677 | S | S | * | * | | | cis | -160.7 | -179 | -30.5 | -155.9 | 48.7 | 0 | 0 | 0 | 108.1 | | |
| 647 | N | 32.3 | Very low | 29.9 | Very low | 133 Ų | 133 | 131.8 Ų | 131.8 | 71% | 0.711 | 67% | 0.67 | S | S | * | * | | | trans | 67.7 | 103.1 | 177.2 | -52.9 | -17.1 | 0 | 0 | 0 | 112.3 | | |
| 648 | H | 26.5 | Very low | 30 | Very low | 141 Ų | 141 | 131.4 Ų | 131.4 | 65% | 0.653 | 67% | 0.669 | S | S | * | * | | | cis | 44.8 | 112.5 | 41.8 | -64.2 | -54.3 | 0 | 0 | 0 | 110.7 | | |
| 649 | F | 28.9 | Very low | 30 | Very low | 187 Ų | 187 | 130.3 Ų | 130.3 | 82% | 0.82 | 66% | 0.664 | S | S | * | * | | | | -139.9 | 138.3 | 58.5 | -100.2 | -115.6 | 0 | 0 | 0 | 110.9 | | |
| 650 | H | 27.1 | Very low | 30.1 | Very low | 128 Ų | 128 | 130.1 Ų | 130.1 | 59% | 0.593 | 66% | 0.663 | S | S | * | * | | | | 54.4 | 98 | 96.5 | -80.1 | -70.4 | 0 | 0 | 0 | 114.7 | | |
| 651 | Q | 25.7 | Very low | 30.2 | Very low | 98 Ų | 98 | 132.9 Ų | 132.9 | 46% | 0.458 | 67% | 0.668 | S | S | . | * | | | cis | 98.5 | 122.9 | 14.1 | -169.8 | -118.9 | 31.1 | 0 | 0 | 115.8 | N1322 H1323 | Q651-N1322 PolarHBondContact O-ND2 2.84Å; Q651-N1322 PolarHBondContact OE1-ND2 3.39Å; Q651-H1323 PolarHBondContact NE2-CD2 3.24Å; Q651-H1323 PolarHBondContact NE2-NE2 3.05Å |
| 652 | D | 32.6 | Very low | 29.8 | Very low | 64 Ų | 64 | 134.3 Ų | 134.3 | 34% | 0.342 | 67% | 0.67 | S | S | . | * | | | trans | 178.1 | -165.3 | -165.2 | -67.5 | -46 | 0 | 0 | 0 | 109.8 | S1320 T1321 N1322 | D652-S1320 WeakPolarHBondContact CB-OG 3.47Å; D652-S1320 WeakPolarHBondContact OD2-CB 3.21Å; D652-S1320 PolarHBondContact OD2-OG 3.49Å; D652-T1321 VanDerWaalsContact CA-O 3.3Å; D652-T1321 WeakPolarHBondContact CA-O 3.48Å; D652-T1321 VanDerWaalsContact CB-C 3.49Å; D652-T1321 WeakPolarHBondContact CB-O 2.93Å; D652-T1321 WeakPolarHBondContact OD1-CA 3.37Å; D652-T1321 PolarHBondContact OD1-N 3.36Å; D652-T1321 PolarHBondContact OD2-N 3.47Å; D652-N1322 WeakPolarHBondContact OD1-CA 3.22Å; D652-N1322 WeakPolarHBondContact OD1-CB 3.23Å; D652-N1322 PolarHBondContact OD1-N 3.44Å |
| 653 | K | 27.1 | Very low | 29.1 | Very low | 82 Ų | 82 | 132.9 Ų | 132.9 | 36% | 0.357 | 67% | 0.665 | S | S | . | * | B | Isolated β-bridge | cis | 61.1 | 152.1 | 1.5 | -17.9 | 153.2 | 173.2 | 168.4 | 0 | 127.6 | F655 S1320 T1321 N1322 H1323 | K653-F655 HydrophobicContact CB-CD2 4.49Å; K653-F655 HydrophobicContact CD-CD2 3.66Å; K653-F655 HydrophobicContact CD-CE2 3.9Å; K653-F655 HydrophobicContact CG-CD2 4.16Å; K653-F655 HydrophobicContact CG-CE2 4.14Å; K653-S1320 CarbonylContact O-C 3.38Å; K653-S1320 WeakPolarHBondContact O-CA 3.44Å; K653-S1320 WeakPolarHBondContact O-CB 3.1Å; K653-T1321 WeakPolarHBondContact CA-O 3.15Å; K653-T1321 WeakPolarHBondContact CB-O 3.19Å; K653-T1321 VanDerWaalsContact CD-O 3.27Å; K653-T1321 WeakPolarHBondContact CD-O 3.22Å; K653-T1321 WeakPolarHBondContact CG-O 3.28Å; K653-T1321 PolarHBondContact O-N 3.29Å; K653-N1322 WeakPolarHBondContact CD-O 3.1Å; K653-N1322 WeakPolarHBondContact CE-O 3.39Å; K653-N1322 WeakPolarHBondContact CG-O 3.42Å; K653-H1323 VanDerWaalsContact CE-C 3.46Å; K653-H1323 WeakPolarHBondContact CE-O 3.26Å; K653-H1323 PolarHBondContact NZ-O 3.14Å |
| 654 | L | 31.9 | Very low | 28.9 | Very low | 121 Ų | 121 | 135.6 Ų | 135.6 | 63% | 0.634 | 68% | 0.675 | S | S | * | * | | | | -136.7 | 136.3 | 110.9 | -126.8 | 175 | 0 | 0 | 0 | 107.4 | I1319 T1321 | L654-I1319 HydrophobicContact CD1-CG2 4.13Å; L654-T1321 HydrophobicContact CG-CG2 4.47Å |
| 655 | F | 26.7 | Very low | 29 | Very low | 154 Ų | 154 | 139.4 Ų | 139.4 | 68% | 0.675 | 68% | 0.68 | S | S | * | * | | | trans | -96.7 | 167 | 172.5 | -86.2 | -72.6 | 0 | 0 | 0 | 109.4 | K653 | K653-F655 HydrophobicContact CB-CD2 4.49Å; K653-F655 HydrophobicContact CD-CD2 3.66Å; K653-F655 HydrophobicContact CD-CE2 3.9Å; K653-F655 HydrophobicContact CG-CD2 4.16Å; K653-F655 HydrophobicContact CG-CE2 4.14Å |
| 656 | P | 34.5 | Very low | 28.8 | Very low | 102 Ų | 102 | 141 Ų | 141 | 66% | 0.662 | 68% | 0.68 | S | S | * | * | | | cis | -132.4 | -154.9 | 3.3 | 27.7 | -2 | 0 | 0 | 0 | 113 | | |
| 657 | I | 30.8 | Very low | 29 | Very low | 137 Ų | 137 | 140.7 Ų | 140.7 | 70% | 0.703 | 69% | 0.688 | S | S | * | * | | | trans | 72.9 | 106.5 | 165.9 | -46.5 | 165.3 | 0 | 0 | 0 | 113.5 | | |
| 658 | N | 27.2 | Very low | 28.9 | Very low | 154 Ų | 154 | 139.5 Ų | 139.5 | 82% | 0.824 | 69% | 0.687 | S | S | * | * | | | cis | 69.4 | 51.2 | 10.6 | -138 | 40.7 | 0 | 0 | 0 | 116 | | |
| 659 | S | 30.7 | Very low | 28.8 | Very low | 97 Ų | 97 | 138.9 Ų | 138.9 | 68% | 0.678 | 69% | 0.689 | S | S | * | * | | | trans | -100.9 | 77.7 | 163.8 | 57.7 | 0 | 0 | 0 | 0 | 110.7 | Y661 | S659-Y661 PolarHBondContact O-N 2.96Š|
| 660 | Q | 27.9 | Very low | 28.8 | Very low | 167 Ų | 167 | 136.1 Ų | 136.1 | 78% | 0.78 | 69% | 0.69 | S | S | * | * | | | trans | -73.7 | 102.5 | 174.5 | -179.7 | -176.7 | 4.8 | 0 | 0 | 110 | | |
| 661 | Y | 29.6 | Very low | 28.9 | Very low | 228 Ų | 228 | 136.6 Ų | 136.6 | 89% | 0.894 | 70% | 0.695 | S | S | * | * | | | trans | -125.1 | 102.5 | 166.8 | -92.6 | -79.6 | 0 | 0 | 0 | 110.3 | S659 | S659-Y661 PolarHBondContact O-N 2.96Š|
| 662 | D | 28.9 | Very low | 29 | Very low | 142 Ų | 142 | 138 Ų | 138 | 76% | 0.759 | 71% | 0.71 | S | S | * | * | | | trans | -100.6 | 169 | 175.8 | -176.4 | 28.6 | 0 | 0 | 0 | 110.8 | | |
| 663 | A | 26.4 | Very low | 28.8 | Very low | 60 Ų | 60 | 142.7 Ų | 142.7 | 50% | 0.496 | 74% | 0.735 | S | S | . | * | S | Bend | trans | 57.4 | 85.1 | 157.5 | 0 | 0 | 0 | 0 | 0 | 117.1 | R665 | A663-R665 PolarHBondContact O-N 3Š|
| 664 | K | 28 | Very low | 28.9 | Very low | 219 Ų | 219 | 144.4 Ų | 144.4 | 95% | 0.952 | 75% | 0.754 | S | S | * | * | | | | 33.4 | 72 | 121.4 | -61.8 | 179.9 | 179.6 | 178 | 0 | 115.2 | | |
| 665 | R | 27.7 | Very low | 28.8 | Very low | 220 Ų | 220 | 148.3 Ų | 148.3 | 83% | 0.83 | 77% | 0.766 | S | S | * | * | | | trans | -103.3 | 152.3 | 158 | -71.6 | -169.5 | 173.3 | -146 | -2.8 | 109.7 | A663 | A663-R665 PolarHBondContact O-N 3Š|
| 666 | F | 29.4 | Very low | 28.9 | Very low | 189 Ų | 189 | 145.8 Ų | 145.8 | 83% | 0.829 | 77% | 0.767 | S | S | * | * | | | trans | 65.3 | 90.8 | -175.8 | -55 | -76.9 | 0 | 0 | 0 | 114.7 | P668 | F666-P668 WeakPolarHBondContact O-CD 3.43Š|
| 667 | V | 28.8 | Very low | 28.9 | Very low | 131 Ų | 131 | 146.3 Ų | 146.3 | 79% | 0.794 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -72.9 | 116.4 | 133.3 | 173.6 | 0 | 0 | 0 | 0 | 106.3 | | |
| 668 | P | 31.5 | Very low | 28.8 | Very low | 108 Ų | 108 | 146.2 Ų | 146.2 | 70% | 0.701 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -73.8 | 128.8 | 164.3 | -9.4 | 27.6 | 0 | 0 | 0 | 108.1 | F666 | F666-P668 WeakPolarHBondContact O-CD 3.43Š|
| 669 | N | 24.6 | Very low | 28.7 | Very low | 129 Ų | 129 | 147.1 Ų | 147.1 | 69% | 0.69 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 144.7 | 177.1 | -121.4 | 3.2 | 0 | 0 | 0 | 110.4 | I671 | N669-I671 HydrophobicContact CB-CG1 4.25Å; N669-I671 PolarHBondContact O-N 3.42Å |
| 670 | P | 27.5 | Very low | 28.7 | Very low | 128 Ų | 128 | 147.5 Ų | 147.5 | 83% | 0.831 | 77% | 0.768 | S | S | * | * | | | trans | -70.1 | 96 | 171.1 | 28.9 | -33.2 | 0 | 0 | 0 | 109.9 | | |
| 671 | I | 29.2 | Very low | 28.9 | Very low | 139 Ų | 139 | 145.9 Ų | 145.9 | 71% | 0.713 | 77% | 0.77 | S | S | * | * | | | trans | -97 | 109.1 | -179.1 | -68.1 | 178.1 | 0 | 0 | 0 | 110.3 | N669 | N669-I671 HydrophobicContact CB-CG1 4.25Å; N669-I671 PolarHBondContact O-N 3.42Å |
| 672 | V | 28.2 | Very low | 29 | Very low | 127 Ų | 127 | 144.6 Ų | 144.6 | 77% | 0.77 | 77% | 0.769 | S | S | * | * | | | trans | 58.3 | 118.9 | 146.4 | -177.9 | 0 | 0 | 0 | 0 | 119 | | |
| 673 | L | 27.5 | Very low | 29.5 | Very low | 163 Ų | 163 | 146.7 Ų | 146.7 | 85% | 0.853 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 137.9 | 163.2 | -68.6 | 154.2 | 0 | 0 | 0 | 112.7 | | |
| 674 | P | 30.9 | Very low | 29.7 | Very low | 117 Ų | 117 | 149 Ų | 149 | 76% | 0.76 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -93.3 | 151.6 | 140.2 | 33.3 | -28.9 | 0 | 0 | 0 | 110.9 | | |
| 675 | K | 28.3 | Very low | 30.2 | Very low | 204 Ų | 204 | 144 Ų | 144 | 89% | 0.887 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -80.4 | 167.4 | -176.4 | -69.2 | -179.6 | 178.6 | 178.4 | 0 | 112.9 | | |
| 676 | S | 29.2 | Very low | 30.6 | Very low | 101 Ų | 101 | 139.3 Ų | 139.3 | 71% | 0.706 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -54.7 | 142.5 | 177.4 | 51.1 | 0 | 0 | 0 | 0 | 114.1 | V678 | S676-V678 PolarHBondContact O-N 3.22Š|
| 677 | P | 35.1 | Very low | 30.8 | Very low | 112 Ų | 112 | 137.2 Ų | 137.2 | 73% | 0.727 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 124.1 | 173 | 29.8 | -33.6 | 0 | 0 | 0 | 111.1 | | |
| 678 | V | 28.7 | Very low | 31.1 | Very low | 135 Ų | 135 | 138.6 Ų | 138.6 | 82% | 0.818 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -80.6 | 127.3 | 167.1 | 175.5 | 0 | 0 | 0 | 0 | 108.3 | S676 | S676-V678 PolarHBondContact O-N 3.22Š|
| 679 | W | 25 | Very low | 31.3 | Very low | 173 Ų | 173 | 141.1 Ų | 141.1 | 66% | 0.655 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -87.4 | 138.9 | 167.8 | -84.1 | 82 | 0 | 0 | 0 | 110.3 | T1295 | W679-T1295 WeakPolarHBondContact CH2-O 2.99Š|
| 680 | P | 31.4 | Very low | 31.5 | Very low | 105 Ų | 105 | 145 Ų | 145 | 68% | 0.682 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 152.8 | -168 | 28.2 | -35.9 | 0 | 0 | 0 | 114.3 | | |
| 681 | V | 30.8 | Very low | 31.7 | Very low | 134 Ų | 134 | 147.6 Ų | 147.6 | 81% | 0.812 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -74 | 140.3 | 174.1 | 176.5 | 0 | 0 | 0 | 0 | 110.3 | E683 | V681-E683 PolarHBondContact O-N 2.66Š|
| 682 | F | 32.3 | Very low | 31.9 | Very low | 201 Ų | 201 | 150.5 Ų | 150.5 | 88% | 0.882 | 78% | 0.783 | S | S | * | * | | | trans | -72.7 | 105.4 | 168.4 | -78.7 | -88.4 | 0 | 0 | 0 | 110.5 | N684 | F682-N684 PolarHBondContact O-N 3.48Š|
| 683 | E | 38.3 | Very low | 31.9 | Very low | 186 Ų | 186 | 152.6 Ų | 152.6 | 87% | 0.869 | 78% | 0.784 | S | S | * | * | | | trans | -66.1 | 127.3 | 171.4 | -67.8 | -167.6 | 125.4 | 0 | 0 | 111.4 | V681 | V681-E683 PolarHBondContact O-N 2.66Š|
| 684 | N | 32 | Very low | 32 | Very low | 109 Ų | 109 | 151.9 Ų | 151.9 | 58% | 0.583 | 78% | 0.781 | S | S | * | * | | | trans | 67.5 | 98.1 | 166.3 | -160.4 | -16.7 | 0 | 0 | 0 | 117.4 | F682 N686 | F682-N684 PolarHBondContact O-N 3.48Å; N684-N686 VanDerWaalsContact C-N 3.26Å; N684-N686 PolarHBondContact O-N 3.38Å; N684-N686 VanDerWaalsContact O-N 3.13Å; N684-N686 PolarHBondContact OD1-N 2.8Å; N684-N686 PolarHBondContact OD1-ND2 2.97Å |
| 685 | P | 38.4 | Very low | 32 | Very low | 112 Ų | 112 | 154.3 Ų | 154.3 | 73% | 0.727 | 79% | 0.788 | S | S | * | * | G | 310 helix | trans | -75.3 | 3.1 | -175.5 | 31.3 | -36.6 | 0 | 0 | 0 | 116.1 | N687 | P685-N687 VanDerWaalsContact C-N 3.27Å; P685-N687 PolarHBondContact O-N 3.12Å; P685-N687 VanDerWaalsContact O-N 3.17Å |
| 686 | N | 36.2 | Very low | 32 | Very low | 122 Ų | 122 | 154.9 Ų | 154.9 | 65% | 0.652 | 79% | 0.786 | S | S | * | * | G | 310 helix | trans | -68.9 | -14 | -170.4 | -79.2 | -71.1 | 0 | 0 | 0 | 115.7 | N684 L688 L689 | N684-N686 VanDerWaalsContact C-N 3.26Å; N684-N686 PolarHBondContact O-N 3.38Å; N684-N686 VanDerWaalsContact O-N 3.13Å; N684-N686 PolarHBondContact OD1-N 2.8Å; N684-N686 PolarHBondContact OD1-ND2 2.97Å; N686-L688 PolarHBondContact O-N 3.11Å; N686-L689 PolarHBondContact O-N 2.9Å |
| 687 | N | 33 | Very low | 32.1 | Very low | 146 Ų | 146 | 155.6 Ų | 155.6 | 78% | 0.781 | 79% | 0.788 | S | S | * | * | G | 310 helix | trans | -70.7 | -9.6 | -179 | -83.2 | -30.7 | 0 | 0 | 0 | 115 | P685 L689 Y690 | P685-N687 VanDerWaalsContact C-N 3.27Å; P685-N687 PolarHBondContact O-N 3.12Å; P685-N687 VanDerWaalsContact O-N 3.17Å; N687-L689 PolarHBondContact O-N 3.49Å; N687-Y690 PolarHBondContact O-N 3.12Å |
| 688 | L | 35.7 | Very low | 31.9 | Very low | 160 Ų | 160 | 156 Ų | 156 | 84% | 0.838 | 79% | 0.791 | S | S | * | * | G | 310 helix | trans | -69.8 | -13.8 | 174 | -84.5 | 168.1 | 0 | 0 | 0 | 114 | N686 Y690 | N686-L688 PolarHBondContact O-N 3.11Å; L688-Y690 VanDerWaalsContact C-N 3.27Å; L688-Y690 PolarHBondContact O-N 3.24Å |
| 689 | L | 34.6 | Very low | 31.8 | Very low | 161 Ų | 161 | 156.3 Ų | 156.3 | 84% | 0.843 | 78% | 0.783 | S | S | * | * | G | 310 helix | trans | -76.7 | -8.9 | 178.2 | -132.5 | 75.3 | 0 | 0 | 0 | 114.2 | N686 N687 | N686-L689 PolarHBondContact O-N 2.9Å; N687-L689 PolarHBondContact O-N 3.49Å |
| 690 | Y | 30.2 | Very low | 31.9 | Very low | 209 Ų | 209 | 153.1 Ų | 153.1 | 82% | 0.82 | 79% | 0.788 | S | S | * | * | G | 310 helix | trans | -112.5 | 19.6 | -170 | -111.2 | -82.5 | 0 | 0 | 0 | 116.4 | N687 L688 | N687-Y690 PolarHBondContact O-N 3.12Å; L688-Y690 VanDerWaalsContact C-N 3.27Å; L688-Y690 PolarHBondContact O-N 3.24Å |
| 691 | M | 31.1 | Very low | 32.1 | Very low | 183 Ų | 183 | 156.2 Ų | 156.2 | 90% | 0.901 | 80% | 0.797 | S | S | * | * | S | Bend | trans | -126.9 | 36.1 | 170.6 | -73.4 | -154.9 | 176.2 | 0 | 0 | 114.7 | | |
| 692 | K | 32.2 | Very low | 31.8 | Very low | 201 Ų | 201 | 155.1 Ų | 155.1 | 87% | 0.874 | 80% | 0.795 | S | S | * | * | S | Bend | trans | -141.1 | 33.6 | 165.6 | -145.5 | 176.6 | 179.6 | 178.9 | 0 | 116.2 | | |
| 693 | Q | 30 | Very low | 31.5 | Very low | 171 Ų | 171 | 153.8 Ų | 153.8 | 80% | 0.799 | 79% | 0.794 | S | S | * | * | S | Bend | trans | -123.1 | 157.3 | 149.8 | -74 | -171.2 | -9.6 | 0 | 0 | 108.8 | | |
| 694 | N | 29.6 | Very low | 31.2 | Very low | 148 Ų | 148 | 149.2 Ų | 149.2 | 79% | 0.791 | 78% | 0.781 | S | S | * | * | | | trans | 68.6 | 55.8 | 178.9 | -50.8 | -31.7 | 0 | 0 | 0 | 116.1 | | |
| 695 | N | 30.7 | Very low | 31 | Very low | 168 Ų | 168 | 154.7 Ų | 154.7 | 90% | 0.898 | 80% | 0.795 | S | S | * | * | | | trans | -105.6 | 97 | 142.4 | -120.2 | -26.4 | 0 | 0 | 0 | 107.6 | | |
| 696 | Y | 27.2 | Very low | 30.9 | Very low | 216 Ų | 216 | 154.9 Ų | 154.9 | 85% | 0.847 | 80% | 0.796 | S | S | * | * | | | trans | -133.6 | 123.4 | 169.5 | -106.1 | -76.1 | 0 | 0 | 0 | 107.9 | | |
| 697 | P | 30.6 | Very low | 30.5 | Very low | 115 Ų | 115 | 152.9 Ų | 152.9 | 75% | 0.747 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 161.5 | 166.7 | 30.7 | -33.2 | 0 | 0 | 0 | 110.9 | | |
| 698 | P | 31 | Very low | 30.1 | Very low | 121 Ų | 121 | 149.7 Ų | 149.7 | 79% | 0.786 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -86.7 | 151.7 | -157.2 | 32.9 | -37.1 | 0 | 0 | 0 | 115.9 | | |
| 699 | E | 27.1 | Very low | 30 | Very low | 141 Ų | 141 | 150.5 Ų | 150.5 | 66% | 0.659 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -78.2 | 126.6 | 157.2 | -68.9 | 179.4 | 164.5 | 0 | 0 | 110.5 | R82 | R82-E699 IonicContact CZ-OE1 3.79Å; R82-E699 IonicContact CZ-OE2 2.85Å; R82-E699 IonicContact NH1-OE2 3.22Å; R82-E699 PolarHBondContact NH1-OE2 3.33Å; R82-E699 IonicContact NH2-OE1 3.29Å; R82-E699 PolarHBondContact NH2-OE1 2.99Å; R82-E699 IonicContact NH2-OE2 3.22Å; R82-E699 PolarHBondContact NH2-OE2 3.41Å |
| 700 | S | 28.4 | Very low | 29.7 | Very low | 107 Ų | 107 | 150.7 Ų | 150.7 | 75% | 0.748 | 81% | 0.81 | S | S | * | * | | | trans | -179 | 171.2 | 150 | 35 | 0 | 0 | 0 | 0 | 111.4 | | |
| 701 | L | 33.9 | Very low | 29.8 | Very low | 170 Ų | 170 | 146.5 Ų | 146.5 | 89% | 0.89 | 81% | 0.811 | S | S | * | * | | | trans | 77.1 | 74.3 | 179.4 | -53.6 | -177.2 | 0 | 0 | 0 | 116.6 | | |
| 702 | S | 25.1 | Very low | 29.6 | Very low | 110 Ų | 110 | 147 Ų | 147 | 77% | 0.769 | 81% | 0.809 | S | S | * | * | | | trans | -54.8 | 146.3 | 161.1 | 52.1 | 0 | 0 | 0 | 0 | 116.5 | | |
| 703 | M | 26.6 | Very low | 29.4 | Very low | 174 Ų | 174 | 149 Ų | 149 | 86% | 0.857 | 81% | 0.81 | S | S | * | * | | | trans | 173 | 161.9 | 142.4 | -92.9 | -100.2 | 127.6 | 0 | 0 | 109.6 | | |
| 704 | P | 31.3 | Very low | 29.4 | Very low | 90 Ų | 90 | 145 Ų | 145 | 58% | 0.584 | 81% | 0.806 | S | S | * | * | | | | -136.8 | 162.2 | -76.2 | 41 | -23.6 | 0 | 0 | 0 | 116.5 | | |
| 705 | Y | 28.1 | Very low | 29.2 | Very low | 224 Ų | 224 | 146 Ų | 146 | 88% | 0.878 | 81% | 0.81 | S | S | * | * | | | trans | 72 | 163.8 | 150.5 | -95.9 | -113.5 | 0 | 0 | 0 | 117.9 | | |
| 706 | P | 36.2 | Very low | 28.8 | Very low | 116 Ų | 116 | 143.3 Ų | 143.3 | 75% | 0.753 | 80% | 0.804 | S | S | * | * | | | | -140.9 | -172.6 | -117.6 | 43.3 | -22.9 | 0 | 0 | 0 | 116.5 | | |
| 707 | G | 28 | Very low | 29 | Very low | 80 Ų | 80 | 137.9 Ų | 137.9 | 83% | 0.825 | 80% | 0.797 | S | S | * | * | | | trans | 119.4 | 106 | 163.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 708 | G | 25.1 | Very low | 29 | Very low | 78 Ų | 78 | 141.2 Ų | 141.2 | 80% | 0.804 | 80% | 0.803 | S | S | * | * | | | cis | 113 | 60.6 | -2.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 709 | L | 33.6 | Very low | 29 | Very low | 178 Ų | 178 | 143.3 Ų | 143.3 | 93% | 0.932 | 81% | 0.807 | S | S | * | * | | | trans | -139.2 | 118.2 | 161.6 | -93.3 | 176.9 | 0 | 0 | 0 | 110.3 | | |
| 710 | I | 26.9 | Very low | 29.1 | Very low | 165 Ų | 165 | 145.4 Ų | 145.4 | 85% | 0.846 | 81% | 0.814 | S | S | * | * | | | trans | -101.8 | 118.7 | 171.7 | -58.3 | 169 | 0 | 0 | 0 | 107.4 | | |
| 711 | S | 33.7 | Very low | 29.5 | Very low | 121 Ų | 121 | 147.7 Ų | 147.7 | 85% | 0.846 | 81% | 0.813 | S | S | * | * | | | trans | -124.1 | 141.4 | 169.2 | -168.3 | 0 | 0 | 0 | 0 | 110.4 | | |
| 712 | K | 26.5 | Very low | 29.4 | Very low | 194 Ų | 194 | 148.2 Ų | 148.2 | 84% | 0.843 | 81% | 0.811 | S | S | * | * | | | trans | -98.1 | 127 | -165.7 | -60.2 | 175.6 | -177.3 | 175.7 | 0 | 111.9 | | |
| 713 | R | 28.5 | Very low | 29.5 | Very low | 241 Ų | 241 | 153 Ų | 153 | 91% | 0.909 | 82% | 0.818 | S | S | * | * | | | trans | -146.3 | 114.4 | 150.7 | -106.7 | 173.8 | 173.9 | 163.2 | -1.2 | 107 | | |
| 714 | A | 29.1 | Very low | 29.7 | Very low | 87 Ų | 87 | 150.2 Ų | 150.2 | 72% | 0.719 | 82% | 0.816 | S | S | * | * | | | | 77.6 | 85 | 51.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 715 | I | 25.3 | Very low | 29.7 | Very low | 169 Ų | 169 | 156.5 Ų | 156.5 | 87% | 0.867 | 83% | 0.828 | S | S | * | * | | | trans | 13 | 116 | 138.7 | -42.6 | 171.3 | 0 | 0 | 0 | 115.7 | | |
| 716 | C | 23.7 | Very low | 30 | Very low | 113 Ų | 113 | 153.7 Ų | 153.7 | 76% | 0.764 | 83% | 0.826 | S | S | * | * | | | | 170.5 | 147.2 | 101.4 | -153.6 | 0 | 0 | 0 | 0 | 113.9 | | |
| 717 | S | 30.2 | Very low | 29.7 | Very low | 101 Ų | 101 | 157 Ų | 157 | 71% | 0.706 | 83% | 0.834 | S | S | * | * | | | trans | 14.3 | 114 | 151.7 | 175.9 | 0 | 0 | 0 | 0 | 120.5 | | |
| 718 | Q | 31.8 | Very low | 29.9 | Very low | 186 Ų | 186 | 162.5 Ų | 162.5 | 87% | 0.869 | 84% | 0.835 | S | S | * | * | | | trans | -147.9 | 94.5 | 145.9 | -164.5 | 172.7 | 19.8 | 0 | 0 | 111.6 | | |
| 719 | N | 30.9 | Very low | 30.3 | Very low | 165 Ų | 165 | 166.4 Ų | 166.4 | 88% | 0.882 | 84% | 0.838 | S | S | * | * | | | trans | -167.9 | 88.1 | 162.8 | -125.5 | -10.9 | 0 | 0 | 0 | 109.5 | | |
| 720 | K | 28.9 | Very low | 30.2 | Very low | 184 Ų | 184 | 164.6 Ų | 164.6 | 80% | 0.8 | 83% | 0.829 | S | S | * | * | | | trans | -150.5 | 27.3 | -171 | -145.9 | -171.7 | 177.9 | -174.7 | 0 | 116.3 | | |
| 721 | E | 36.1 | Very low | 30.6 | Very low | 156 Ų | 156 | 166.3 Ų | 166.3 | 73% | 0.729 | 83% | 0.831 | S | S | * | * | S | Bend | trans | -116.2 | -19.8 | -172.7 | -96 | 68.6 | -144.4 | 0 | 0 | 117 | | |
| 722 | E | 31.8 | Very low | 30.3 | Very low | 181 Ų | 181 | 167.5 Ų | 167.5 | 85% | 0.846 | 83% | 0.826 | S | S | * | * | S | Bend | trans | -102 | -23.4 | -161.4 | -153.8 | 159.9 | -144.3 | 0 | 0 | 116.6 | S724 | E722-S724 PolarHBondContact O-N 3.44Š|
| 723 | F | 27.8 | Very low | 30.6 | Very low | 210 Ų | 210 | 163.9 Ų | 163.9 | 92% | 0.921 | 82% | 0.823 | S | S | * | * | S | Bend | trans | -99.6 | 46.6 | -174.7 | -104.4 | -89.1 | 0 | 0 | 0 | 114.9 | | |
| 724 | S | 29.9 | Very low | 30.6 | Very low | 116 Ų | 116 | 157 Ų | 157 | 81% | 0.811 | 81% | 0.809 | S | S | * | * | S | Bend | trans | -145 | 25.1 | 178.6 | -63.7 | 0 | 0 | 0 | 0 | 115.4 | E722 | E722-S724 PolarHBondContact O-N 3.44Š|
| 725 | R | 31.6 | Very low | 30.6 | Very low | 222 Ų | 222 | 160.2 Ų | 160.2 | 84% | 0.838 | 81% | 0.813 | S | S | * | * | S | Bend | trans | -122 | 2.6 | 179.3 | -95.1 | -167.6 | -69 | -159.9 | -1.5 | 117.3 | | |
| 726 | I | 34.9 | Very low | 30.8 | Very low | 164 Ų | 164 | 157.8 Ų | 157.8 | 84% | 0.841 | 81% | 0.806 | S | S | * | * | S | Bend | trans | -120.9 | -13.6 | -173.9 | -59.8 | -179.4 | 0 | 0 | 0 | 113.7 | | |
| 727 | M | 30 | Very low | 30.8 | Very low | 187 Ų | 187 | 157.1 Ų | 157.1 | 92% | 0.921 | 80% | 0.803 | S | S | * | * | S | Bend | trans | -108.3 | 47.4 | 176.1 | -63.3 | -156.2 | -58.9 | 0 | 0 | 113.7 | | |
| 728 | K | 32 | Very low | 30.4 | Very low | 194 Ų | 194 | 158.6 Ų | 158.6 | 84% | 0.843 | 81% | 0.808 | S | S | * | * | | | trans | -141.4 | 106 | 154.1 | -84.7 | -161.5 | 173.6 | -167.1 | 0 | 108.8 | | |
| 729 | N | 33.5 | Very low | 30.2 | Very low | 161 Ų | 161 | 155.4 Ų | 155.4 | 86% | 0.861 | 81% | 0.806 | S | S | * | * | | | trans | -161 | 134.1 | 141.9 | -108.9 | 12.5 | 0 | 0 | 0 | 107.5 | | |
| 730 | D | 32.2 | Very low | 29.8 | Very low | 140 Ų | 140 | 152.8 Ų | 152.8 | 75% | 0.749 | 80% | 0.801 | S | S | * | * | | | trans | -75.4 | 159 | -170.5 | -46.4 | -87.4 | 0 | 0 | 0 | 112 | | |
| 731 | F | 33.4 | Very low | 29.9 | Very low | 200 Ų | 200 | 153.2 Ų | 153.2 | 88% | 0.877 | 81% | 0.805 | S | S | * | * | | | | -177.9 | 131.7 | 108.6 | -109 | -81.2 | 0 | 0 | 0 | 111.1 | | |
| 732 | I | 27.7 | Very low | 29.4 | Very low | 146 Ų | 146 | 150.1 Ų | 150.1 | 75% | 0.749 | 81% | 0.806 | S | S | * | * | | | trans | -113.2 | 127.5 | 172.5 | -60.9 | 171.8 | 0 | 0 | 0 | 108.8 | P734 | I732-P734 HydrophobicContact CG2-CB 4.3Å; I732-P734 HydrophobicContact CG2-CG 4.47Å |
| 733 | P | 33.3 | Very low | 29.3 | Very low | 119 Ų | 119 | 150.3 Ų | 150.3 | 77% | 0.773 | 81% | 0.812 | S | S | * | * | | | trans | -106.2 | 117.6 | 151.2 | 32.4 | -23.5 | 0 | 0 | 0 | 110.1 | | |
| 734 | P | 29.5 | Very low | 29.2 | Very low | 96 Ų | 96 | 144 Ų | 144 | 62% | 0.623 | 81% | 0.806 | S | S | * | * | | | trans | -98.3 | -179.6 | 179.2 | 36 | -29.7 | 0 | 0 | 0 | 113.1 | I732 | I732-P734 HydrophobicContact CG2-CB 4.3Å; I732-P734 HydrophobicContact CG2-CG 4.47Å |
| 735 | L | 27.3 | Very low | 29.1 | Very low | 155 Ų | 155 | 144.2 Ų | 144.2 | 81% | 0.812 | 80% | 0.804 | S | S | * | * | | | trans | 77 | 154.7 | 169.3 | -44.7 | 175.3 | 0 | 0 | 0 | 114.9 | | |
| 736 | T | 29.5 | Very low | 29.4 | Very low | 117 Ų | 117 | 139.2 Ų | 139.2 | 72% | 0.718 | 80% | 0.801 | S | S | * | * | | | cis | -151.7 | 155 | 5.2 | -18.6 | 0 | 0 | 0 | 0 | 113.1 | | |
| 737 | S | 24.3 | Very low | 29.2 | Very low | 100 Ų | 100 | 137.4 Ų | 137.4 | 70% | 0.699 | 79% | 0.791 | S | S | * | * | | | trans | 27.3 | 113.4 | 147.9 | 61.2 | 0 | 0 | 0 | 0 | 122.5 | | |
| 738 | V | 22.8 | Very low | 29 | Very low | 132 Ų | 132 | 138.1 Ų | 138.1 | 80% | 0.8 | 78% | 0.784 | S | S | * | * | | | trans | 0.8 | 130.4 | 131.9 | -167.2 | 0 | 0 | 0 | 0 | 118.2 | | |
| 739 | S | 27.5 | Very low | 28.8 | Very low | 119 Ų | 119 | 135 Ų | 135 | 83% | 0.832 | 77% | 0.767 | S | S | * | * | | | trans | -147.5 | 139.4 | 147.4 | 67.2 | 0 | 0 | 0 | 0 | 110.7 | | |
| 740 | S | 23.1 | Very low | 28.4 | Very low | 110 Ų | 110 | 131.5 Ų | 131.5 | 77% | 0.769 | 75% | 0.754 | S | S | * | * | | | trans | -110.1 | 116.3 | -168.8 | -55.7 | 0 | 0 | 0 | 0 | 113 | | |
| 741 | Q | 30.5 | Very low | 28.3 | Very low | 193 Ų | 193 | 127.8 Ų | 127.8 | 90% | 0.902 | 73% | 0.73 | S | S | * | * | | | trans | -142.1 | 116.7 | 161.2 | -61.1 | -176.8 | -0.3 | 0 | 0 | 106 | | |
| 742 | A | 25 | Very low | 27.9 | Very low | 90 Ų | 90 | 128.9 Ų | 128.9 | 74% | 0.744 | 73% | 0.729 | S | S | * | * | | | cis | 85.6 | 131 | 46.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 743 | L | 29.5 | Very low | 28 | Very low | 186 Ų | 186 | 124.5 Ų | 124.5 | 97% | 0.974 | 72% | 0.719 | S | S | * | * | | | trans | 77.5 | 126 | 176.7 | -51.3 | 170.9 | 0 | 0 | 0 | 117.3 | | |
| 744 | G | 26 | Very low | 27.7 | Very low | 76 Ų | 76 | 127.5 Ų | 127.5 | 78% | 0.784 | 73% | 0.728 | S | S | * | * | | | trans | 135.4 | 90.3 | 165.9 | 0 | 0 | 0 | 0 | 0 | 116.8 | | |
| 745 | P | 27.2 | Very low | 27.6 | Very low | 121 Ų | 121 | 133 Ų | 133 | 79% | 0.786 | 74% | 0.738 | S | S | * | * | | | trans | -107.3 | 178.5 | 173.9 | 42 | -34.6 | 0 | 0 | 0 | 112.7 | | |
| 746 | P | 37.5 | Very low | 27.6 | Very low | 117 Ų | 117 | 133.7 Ų | 133.7 | 76% | 0.76 | 74% | 0.739 | S | S | * | * | | | | -110 | 157.1 | -68.4 | 36.7 | -25.5 | 0 | 0 | 0 | 111.8 | | |
| 747 | I | 31.5 | Very low | 27.5 | Very low | 126 Ų | 126 | 135.9 Ų | 135.9 | 65% | 0.646 | 74% | 0.743 | S | S | * | * | | | trans | -87.1 | 169.9 | 176 | -50.5 | 170.9 | 0 | 0 | 0 | 108.9 | S1464 T1465 | I747-S1464 WeakPolarHBondContact CB-O 3.5Å; I747-S1464 VanDerWaalsContact CG2-O 3.29Å; I747-S1464 WeakPolarHBondContact CG2-O 2.92Å; I747-T1465 VanDerWaalsContact CA-OG1 3.32Å; I747-T1465 WeakPolarHBondContact CA-OG1 3.3Å; I747-T1465 WeakPolarHBondContact CB-OG1 3.39Å; I747-T1465 PolarHBondContact N-OG1 3.38Å; I747-T1465 VanDerWaalsContact N-OG1 3.16Å; I747-T1465 PolarHBondContact O-OG1 3.06Å |
| 748 | R | 25.6 | Very low | 27.9 | Very low | 202 Ų | 202 | 136.7 Ų | 136.7 | 76% | 0.762 | 75% | 0.745 | S | S | * | * | | | trans | -127.3 | 121.6 | -159.7 | -157.7 | -175.7 | -134.8 | -163.6 | 3.8 | 113 | D1463 S1464 | R748-D1463 CarbonylContact O-C 3.57Å; R748-D1463 WeakPolarHBondContact O-CA 3.32Å; R748-D1463 PolarHBondContact O-N 3.04Å; R748-S1464 PolarHBondContact O-N 3.16Å |
| 749 | W | 27.9 | Very low | 28.1 | Very low | 128 Ų | 128 | 141.4 Ų | 141.4 | 49% | 0.485 | 75% | 0.749 | S | S | . | * | | | trans | -71.4 | 148.5 | 163.5 | -70.6 | 114.1 | 0 | 0 | 0 | 111.4 | D1463 T1465 L1466 | W749-D1463 HydrophobicContact CE3-CB 3.66Å; W749-D1463 VanDerWaalsContact CE3-OD1 3.31Å; W749-D1463 HydrophobicContact CZ3-CB 3.84Å; W749-T1465 VanDerWaalsContact CD1-O 3.23Å; W749-T1465 PolarHBondContact N-O 3.04Å; W749-T1465 VanDerWaalsContact NE1-C 3.25Å; W749-L1466 VanDerWaalsContact CD1-CB 3.46Å |
| 750 | C | 24.6 | Very low | 28.1 | Very low | 89 Ų | 89 | 144.2 Ų | 144.2 | 60% | 0.601 | 75% | 0.746 | S | S | * | * | | | trans | -157 | -9.5 | 166.4 | -95.1 | 0 | 0 | 0 | 0 | 115.6 | E1461 D1463 | C750-E1461 CarbonylContact C-O 3.21Å; C750-E1461 WeakPolarHBondContact CA-O 3.2Å; C750-E1461 WeakPolarHBondContact CB-O 3.25Å; C750-D1463 PolarHBondContact N-OD1 3.43Å |
| 751 | Y | 30 | Very low | 28.5 | Very low | 61 Ų | 61 | 144.5 Ų | 144.5 | 24% | 0.239 | 75% | 0.746 | C | S | . | * | | | trans | -118.3 | 153 | -175.2 | -84.9 | -18.8 | 0 | 0 | 0 | 113.4 | S1459 L1460 E1461 P1462 D1463 | Y751-S1459 VanDerWaalsContact OH-CA 3.28Å; Y751-S1459 WeakPolarHBondContact OH-CA 3.2Å; Y751-S1459 PolarHBondContact OH-OG 3.37Å; Y751-S1459 VanDerWaalsContact OH-OG 3.08Å; Y751-L1460 VanDerWaalsContact CZ-N 3.29Å; Y751-L1460 VanDerWaalsContact OH-CA 3.31Å; Y751-L1460 WeakPolarHBondContact OH-CA 3.24Å; Y751-L1460 PolarHBondContact OH-N 2.68Å; Y751-E1461 VanDerWaalsContact CB-CB 3.49Å; Y751-E1461 WeakPolarHBondContact CB-O 3.4Å; Y751-E1461 HydrophobicContact CD1-CB 2.31Å; Y751-E1461 HydrophobicContact CD1-CG 3.85Å; Y751-E1461 WeakPolarHBondContact CD1-O 3.41Å; Y751-E1461 HydrophobicContact CD2-CB 2.3Å; Y751-E1461 HydrophobicContact CD2-CG 2.78Å; Y751-E1461 WeakPolarHBondContact CD2-O 3.32Å; Y751-E1461 HydrophobicContact CE1-CB 2.32Å; Y751-E1461 HydrophobicContact CE1-CG 3.83Å; Y751-E1461 HydrophobicContact CE2-CB 2.31Å; Y751-E1461 HydrophobicContact CE2-CG 2.75Å; Y751-E1461 WeakPolarHBondContact CE2-OE1 3.15Å; Y751-E1461 HydrophobicContact CG-CB 2.31Å; Y751-E1461 HydrophobicContact CG-CG 3.38Å; Y751-E1461 PolarHBondContact N-O 2.95Å; Y751-E1461 VanDerWaalsContact N-O 3.12Å; Y751-E1461 VanDerWaalsContact OH-CB 3.24Å; Y751-E1461 WeakPolarHBondContact OH-CB 3.47Å; Y751-E1461 PolarHBondContact OH-N 3.05Å; Y751-E1461 PolarHBondContact OH-OE1 2.83Å; Y751-P1462 VanDerWaalsContact CD2-CA 3.49Å; Y751-P1462 HydrophobicContact CD2-CB 3.75Å; Y751-P1462 HydrophobicContact CD2-CG 3.99Å; Y751-P1462 HydrophobicContact CE2-CG 4.22Å; Y751-D1463 PolarHBondContact N-OD1 3.37Å |
| 752 | R | 26.6 | Very low | 28.4 | Very low | 224 Ų | 224 | 141.4 Ų | 141.4 | 85% | 0.845 | 74% | 0.74 | S | S | * | * | | | cis | 87.5 | 52.5 | 3.4 | -146.3 | -172.5 | -167.8 | 178.7 | 5.6 | 119.3 | E1461 | R752-E1461 WeakPolarHBondContact O-CG 3.08Š|
| 753 | G | 28.3 | Very low | 28.8 | Very low | 53 Ų | 53 | 143.6 Ų | 143.6 | 55% | 0.546 | 74% | 0.744 | S | S | . | * | | | trans | -148.9 | 112.4 | 162.8 | 0 | 0 | 0 | 0 | 0 | 114 | Y755 | G753-Y755 PolarHBondContact O-N 3.32Š|
| 754 | L | 27.5 | Very low | 28.6 | Very low | 183 Ų | 183 | 139.8 Ų | 139.8 | 96% | 0.958 | 73% | 0.733 | S | S | * | * | | | trans | -78 | 85.4 | 178.5 | -77 | 169.4 | 0 | 0 | 0 | 111.7 | M756 | L754-M756 PolarHBondContact O-N 2.96Š|
| 755 | Y | 28 | Very low | 28.8 | Very low | 212 Ų | 212 | 142.9 Ų | 142.9 | 83% | 0.831 | 74% | 0.737 | S | S | * | * | | | trans | -82.3 | 112.8 | 174.4 | -88.1 | -83.3 | 0 | 0 | 0 | 113.1 | G753 | G753-Y755 PolarHBondContact O-N 3.32Š|
| 756 | M | 27.9 | Very low | 28.8 | Very low | 169 Ų | 169 | 143 Ų | 143 | 83% | 0.833 | 74% | 0.736 | S | S | * | * | | | trans | -17 | 135 | 170.3 | -64.5 | -68.9 | 166.4 | 0 | 0 | 118.4 | L754 | L754-M756 PolarHBondContact O-N 2.96Š|
| 757 | M | 26.1 | Very low | 28.4 | Very low | 162 Ų | 162 | 144.4 Ų | 144.4 | 80% | 0.798 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -56.5 | 133.6 | 164.3 | -86.5 | -169 | 69.6 | 0 | 0 | 112.5 | | |
| 758 | P | 33.5 | Very low | 28.2 | Very low | 117 Ų | 117 | 144.7 Ų | 144.7 | 76% | 0.76 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 153.5 | 162.7 | -22.2 | 34.5 | 0 | 0 | 0 | 112.7 | | |
| 759 | R | 26.4 | Very low | 28.5 | Very low | 231 Ų | 231 | 142.9 Ų | 142.9 | 87% | 0.872 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -82.4 | 146.6 | -179.7 | -71.6 | 178.1 | 173.3 | 164.6 | -2.3 | 112.7 | | |
| 760 | F | 27.3 | Very low | 28.5 | Very low | 178 Ų | 178 | 144.7 Ų | 144.7 | 78% | 0.781 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 142.1 | 165.9 | -70.6 | -95.6 | 0 | 0 | 0 | 112.7 | V762 | F760-V762 HydrophobicContact CB-CG2 4.44Š|
| 761 | P | 31.9 | Very low | 29.1 | Very low | 117 Ų | 117 | 145.8 Ų | 145.8 | 76% | 0.76 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -84.7 | 132.4 | 138.3 | 33 | -26.6 | 0 | 0 | 0 | 109.7 | | |
| 762 | V | 28.3 | Very low | 29 | Very low | 128 Ų | 128 | 149.2 Ų | 149.2 | 78% | 0.776 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -99.4 | 116.2 | 173.8 | 176 | 0 | 0 | 0 | 0 | 109.1 | F760 | F760-V762 HydrophobicContact CB-CG2 4.44Š|
| 763 | T | 33.5 | Very low | 29.1 | Very low | 135 Ų | 135 | 143.8 Ų | 143.8 | 83% | 0.828 | 79% | 0.791 | S | S | * | * | | | trans | -109.6 | 107.3 | 167.6 | 42.4 | 0 | 0 | 0 | 0 | 109.8 | | |
| 764 | S | 24.7 | Very low | 29.1 | Very low | 107 Ų | 107 | 145.8 Ų | 145.8 | 75% | 0.748 | 80% | 0.802 | S | S | * | * | | | trans | -85.4 | 116.2 | -179.5 | 54.2 | 0 | 0 | 0 | 0 | 112 | | |
| 765 | T | 31.4 | Very low | 29.3 | Very low | 141 Ų | 141 | 142.7 Ų | 142.7 | 87% | 0.865 | 79% | 0.791 | S | S | * | * | | | trans | -118.3 | 93.4 | 162.2 | 38.2 | 0 | 0 | 0 | 0 | 110 | | |
| 766 | T | 27.1 | Very low | 29.2 | Very low | 124 Ų | 124 | 137 Ų | 137 | 76% | 0.761 | 79% | 0.788 | S | S | * | * | | | trans | -66.8 | 139 | 165.9 | 48 | 0 | 0 | 0 | 0 | 110.6 | | |
| 767 | I | 27.9 | Very low | 29 | Very low | 145 Ų | 145 | 138.2 Ų | 138.2 | 74% | 0.744 | 79% | 0.789 | S | S | * | * | | | | 173.6 | 123.1 | 126.5 | -90.2 | 155.4 | 0 | 0 | 0 | 111.1 | | |
| 768 | N | 27.1 | Very low | 29.1 | Very low | 132 Ų | 132 | 135.7 Ų | 135.7 | 71% | 0.706 | 78% | 0.783 | S | S | * | * | | | trans | 38.6 | 106.6 | 151.1 | -51 | -8.3 | 0 | 0 | 0 | 120.3 | | |
| 769 | N | 32.5 | Very low | 28.7 | Very low | 164 Ų | 164 | 137.4 Ų | 137.4 | 88% | 0.877 | 79% | 0.785 | S | S | * | * | | | | -173.5 | 138.3 | 98.1 | -87.4 | -28.6 | 0 | 0 | 0 | 112.8 | | |
| 770 | L | 28 | Very low | 28.8 | Very low | 166 Ų | 166 | 131.4 Ų | 131.4 | 87% | 0.869 | 77% | 0.774 | S | S | * | * | | | trans | -114.5 | 172.6 | 173.3 | -123.5 | 71.2 | 0 | 0 | 0 | 108.4 | | |
| 771 | P | 37.9 | Very low | 28.8 | Very low | 112 Ų | 112 | 129.2 Ų | 129.2 | 73% | 0.727 | 78% | 0.775 | S | S | * | * | | | cis | -129.3 | 179.1 | -9.4 | 32.5 | -12.1 | 0 | 0 | 0 | 114.4 | | |
| 772 | V | 26.5 | Very low | 28.8 | Very low | 134 Ų | 134 | 129 Ų | 129 | 81% | 0.812 | 77% | 0.772 | S | S | * | * | | | trans | -84.6 | 134.7 | 169.3 | 174 | 0 | 0 | 0 | 0 | 110.6 | A774 | V772-A774 HydrophobicContact CG1-CB 4.23Š|
| 773 | S | 29.6 | Very low | 28.7 | Very low | 110 Ų | 110 | 129.6 Ų | 129.6 | 77% | 0.769 | 78% | 0.776 | S | S | * | * | | | trans | -101.5 | 88 | 168.7 | 58.3 | 0 | 0 | 0 | 0 | 111.1 | T775 | S773-T775 PolarHBondContact O-N 3.21Š|
| 774 | A | 27.4 | Very low | 28.5 | Very low | 94 Ų | 94 | 127.5 Ų | 127.5 | 78% | 0.777 | 77% | 0.767 | S | S | * | * | | | trans | -92.4 | 77.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111 | V772 A776 | V772-A774 HydrophobicContact CG1-CB 4.23Å; A774-A776 PolarHBondContact O-N 3.2Å |
| 775 | T | 31.7 | Very low | 28.7 | Very low | 118 Ų | 118 | 130.2 Ų | 130.2 | 72% | 0.724 | 77% | 0.767 | S | S | * | * | | | trans | -76.3 | 112.1 | 169.7 | 46.1 | 0 | 0 | 0 | 0 | 109.7 | S773 F777 | S773-T775 PolarHBondContact O-N 3.21Å; T775-F777 PolarHBondContact O-N 3.24Å |
| 776 | A | 26.4 | Very low | 28.5 | Very low | 93 Ų | 93 | 130.3 Ų | 130.3 | 77% | 0.769 | 76% | 0.761 | S | S | * | * | | | trans | -62.4 | 118.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | A774 V778 | A774-A776 PolarHBondContact O-N 3.2Å; A776-V778 PolarHBondContact O-N 3.33Å; A776-V778 VanDerWaalsContact O-N 3.12Å |
| 777 | F | 23.9 | Very low | 28.4 | Very low | 194 Ų | 194 | 130 Ų | 130 | 85% | 0.851 | 76% | 0.763 | S | S | * | * | | | trans | -78.4 | 95.1 | 173.5 | -120 | -95 | 0 | 0 | 0 | 109.1 | T775 L779 | T775-F777 PolarHBondContact O-N 3.24Å; F777-L779 PolarHBondContact O-N 3.41Å |
| 778 | V | 28.4 | Very low | 28.3 | Very low | 109 Ų | 109 | 128.3 Ų | 128.3 | 66% | 0.661 | 76% | 0.763 | S | S | * | * | | | trans | -73.4 | 105.8 | 171.5 | -178.1 | 0 | 0 | 0 | 0 | 107.8 | A776 T780 | A776-V778 PolarHBondContact O-N 3.33Å; A776-V778 VanDerWaalsContact O-N 3.12Å; V778-T780 HydrophobicContact CG1-CG2 4.09Å; V778-T780 PolarHBondContact O-N 2.83Å |
| 779 | L | 25.6 | Very low | 28.4 | Very low | 154 Ų | 154 | 128.4 Ų | 128.4 | 81% | 0.806 | 76% | 0.763 | S | S | * | * | | | trans | -77 | 70.7 | 173.7 | -89.3 | 162 | 0 | 0 | 0 | 110.6 | F777 T781 | F777-L779 PolarHBondContact O-N 3.41Å; L779-T781 PolarHBondContact O-N 3.04Å |
| 780 | T | 28.2 | Very low | 28 | Very low | 104 Ų | 104 | 125.1 Ų | 125.1 | 64% | 0.638 | 76% | 0.759 | S | S | * | * | | | trans | -68.1 | 108.7 | 162.3 | 38.4 | 0 | 0 | 0 | 0 | 109.3 | V778 T782 | V778-T780 HydrophobicContact CG1-CG2 4.09Å; V778-T780 PolarHBondContact O-N 2.83Å; T780-T782 PolarHBondContact O-N 2.71Å |
| 781 | T | 27.8 | Very low | 28 | Very low | 132 Ų | 132 | 127 Ų | 127 | 81% | 0.81 | 76% | 0.756 | S | S | * | * | | | trans | -72.8 | 84.4 | 172.9 | 46.6 | 0 | 0 | 0 | 0 | 110.9 | L779 | L779-T781 PolarHBondContact O-N 3.04Š|
| 782 | T | 30.7 | Very low | 27.5 | Very low | 114 Ų | 114 | 129.2 Ų | 129.2 | 70% | 0.699 | 76% | 0.757 | S | S | * | * | | | trans | -91.4 | 96.9 | 170 | 52.3 | 0 | 0 | 0 | 0 | 110.4 | T780 S784 | T780-T782 PolarHBondContact O-N 2.71Å; T782-S784 PolarHBondContact O-N 3.05Å |
| 783 | T | 27.1 | Very low | 27.4 | Very low | 140 Ų | 140 | 133.6 Ų | 133.6 | 86% | 0.859 | 76% | 0.761 | S | S | * | * | | | trans | -71.7 | 103.2 | 168.1 | 43.6 | 0 | 0 | 0 | 0 | 110 | | |
| 784 | S | 29.6 | Very low | 27.3 | Very low | 90 Ų | 90 | 134.1 Ų | 134.1 | 63% | 0.629 | 76% | 0.755 | S | S | * | * | | | trans | -134.5 | 104.4 | 178.2 | 62.6 | 0 | 0 | 0 | 0 | 112.8 | T782 | T782-S784 PolarHBondContact O-N 3.05Š|
| 785 | H | 28.8 | Very low | 27.2 | Very low | 165 Ų | 165 | 133.5 Ų | 133.5 | 76% | 0.764 | 75% | 0.75 | S | S | * | * | | | trans | 41.8 | 106.4 | 150.6 | -49.9 | -71.8 | 0 | 0 | 0 | 120.3 | C787 | H785-C787 PolarHBondContact O-N 3.45Š|
| 786 | I | 26.5 | Very low | 27 | Very low | 143 Ų | 143 | 137.9 Ų | 137.9 | 73% | 0.733 | 75% | 0.754 | S | S | * | * | | | | 37.2 | 85.5 | 128.3 | -47.4 | 171.1 | 0 | 0 | 0 | 115.9 | S788 | I786-S788 VanDerWaalsContact CG2-OG 3.3Å; I786-S788 WeakPolarHBondContact CG2-OG 3.42Å |
| 787 | C | 25.8 | Very low | 26.9 | Very low | 118 Ų | 118 | 139.1 Ų | 139.1 | 80% | 0.797 | 75% | 0.748 | S | S | * | * | | | trans | -93.5 | 96 | 143 | -86.2 | 0 | 0 | 0 | 0 | 108.4 | H785 L789 | H785-C787 PolarHBondContact O-N 3.45Å; C787-L789 PolarHBondContact O-N 3.12Å |
| 788 | S | 25.2 | Very low | 27 | Very low | 108 Ų | 108 | 141.4 Ų | 141.4 | 76% | 0.755 | 75% | 0.751 | S | S | * | * | | | trans | -71.4 | 67.6 | 166.1 | -65.6 | 0 | 0 | 0 | 0 | 110 | I786 A790 | I786-S788 VanDerWaalsContact CG2-OG 3.3Å; I786-S788 WeakPolarHBondContact CG2-OG 3.42Å; S788-A790 VanDerWaalsContact C-N 3.27Å; S788-A790 PolarHBondContact O-N 2.97Å |
| 789 | L | 28.8 | Very low | 27.1 | Very low | 134 Ų | 134 | 141.8 Ų | 141.8 | 70% | 0.702 | 75% | 0.749 | S | S | * | * | | | trans | -68.6 | 92.6 | 165.6 | -81.6 | 172.1 | 0 | 0 | 0 | 108 | C787 Y791 | C787-L789 PolarHBondContact O-N 3.12Å; L789-Y791 HydrophobicContact CB-CD2 4.29Å; L789-Y791 PolarHBondContact O-N 2.86Å |
| 790 | A | 25.1 | Very low | 27.3 | Very low | 96 Ų | 96 | 141 Ų | 141 | 79% | 0.793 | 75% | 0.746 | S | S | * | * | | | trans | -64.3 | 77.1 | 161 | 0 | 0 | 0 | 0 | 0 | 108.6 | S788 E792 | S788-A790 VanDerWaalsContact C-N 3.27Å; S788-A790 PolarHBondContact O-N 2.97Å; A790-E792 PolarHBondContact O-N 3.14Å |
| 791 | Y | 27.6 | Very low | 27.3 | Very low | 204 Ų | 204 | 143.2 Ų | 143.2 | 80% | 0.8 | 75% | 0.754 | S | S | * | * | | | trans | -67.7 | 114.6 | 169.4 | -114.4 | -78.6 | 0 | 0 | 0 | 107.8 | L789 | L789-Y791 HydrophobicContact CB-CD2 4.29Å; L789-Y791 PolarHBondContact O-N 2.86Å |
| 792 | E | 26.1 | Very low | 27.2 | Very low | 160 Ų | 160 | 145.3 Ų | 145.3 | 75% | 0.748 | 75% | 0.754 | S | S | * | * | | | trans | -53.7 | 144.8 | -174.9 | -75.2 | -179.7 | 107.6 | 0 | 0 | 112.2 | A790 N794 | A790-E792 PolarHBondContact O-N 3.14Å; E792-N794 PolarHBondContact O-N 3.1Å |
| 793 | Y | 25.2 | Very low | 27.1 | Very low | 226 Ų | 226 | 144.5 Ų | 144.5 | 89% | 0.886 | 75% | 0.751 | S | S | * | * | | | trans | -71.6 | 66.8 | -179.2 | -154.7 | -94.9 | 0 | 0 | 0 | 110.8 | A795 | Y793-A795 HydrophobicContact CD1-CB 4.35Å; Y793-A795 PolarHBondContact O-N 3.4Å |
| 794 | N | 27.3 | Very low | 27.2 | Very low | 121 Ų | 121 | 146.4 Ų | 146.4 | 65% | 0.647 | 76% | 0.755 | S | S | * | * | | | trans | -69.9 | 79.1 | -178.5 | -94.1 | -74.8 | 0 | 0 | 0 | 110.7 | E792 Y796 | E792-N794 PolarHBondContact O-N 3.1Å; N794-Y796 PolarHBondContact O-N 2.98Å |
| 795 | A | 25.6 | Very low | 27.1 | Very low | 81 Ų | 81 | 149 Ų | 149 | 67% | 0.669 | 76% | 0.761 | S | S | * | * | | | trans | -73.7 | 56.2 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y793 N797 | Y793-A795 HydrophobicContact CD1-CB 4.35Å; Y793-A795 PolarHBondContact O-N 3.4Å; A795-N797 PolarHBondContact O-N 3.46Å |
| 796 | Y | 27.2 | Very low | 26.8 | Very low | 210 Ų | 210 | 148.6 Ų | 148.6 | 82% | 0.824 | 76% | 0.761 | S | S | * | * | | | trans | -89.1 | 83.8 | 178 | -111.9 | -84 | 0 | 0 | 0 | 113.5 | N794 | N794-Y796 PolarHBondContact O-N 2.98Š|
| 797 | N | 24.5 | Very low | 26.9 | Very low | 119 Ų | 119 | 148.2 Ų | 148.2 | 64% | 0.636 | 76% | 0.76 | S | S | * | * | | | trans | 46.5 | 91.8 | 144.8 | -158.8 | -10.1 | 0 | 0 | 0 | 118.5 | A795 N799 | A795-N797 PolarHBondContact O-N 3.46Å; N797-N799 PolarHBondContact O-N 3.49Å; N797-N799 PolarHBondContact OD1-ND2 3.19Å; N797-N799 VanDerWaalsContact OD1-ND2 3.09Å |
| 798 | R | 27 | Very low | 26.8 | Very low | 241 Ų | 241 | 148.6 Ų | 148.6 | 91% | 0.909 | 76% | 0.755 | S | S | * | * | | | trans | -64.4 | 108.2 | 162 | 177.5 | -157.5 | -154.3 | -176.1 | 9.6 | 111.3 | | |
| 799 | N | 29.1 | Very low | 26.8 | Very low | 117 Ų | 117 | 152.5 Ų | 152.5 | 63% | 0.626 | 75% | 0.754 | S | S | * | * | | | trans | -148.6 | 129.1 | 165 | -103.3 | -60.2 | 0 | 0 | 0 | 115.1 | N797 | N797-N799 PolarHBondContact O-N 3.49Å; N797-N799 PolarHBondContact OD1-ND2 3.19Å; N797-N799 VanDerWaalsContact OD1-ND2 3.09Å |
| 800 | N | 30.5 | Very low | 26.6 | Very low | 138 Ų | 138 | 153.4 Ų | 153.4 | 74% | 0.738 | 75% | 0.754 | S | S | * | * | | | trans | 57.5 | 77 | 151.7 | -56.7 | -25 | 0 | 0 | 0 | 120.5 | | |
| 801 | N | 27.5 | Very low | 26.7 | Very low | 150 Ų | 150 | 154.6 Ų | 154.6 | 80% | 0.802 | 76% | 0.757 | S | S | * | * | | | | 25.5 | 137.4 | 107.9 | -82.5 | -3.1 | 0 | 0 | 0 | 120.7 | | |
| 802 | Q | 26.6 | Very low | 26.7 | Very low | 176 Ų | 176 | 153.2 Ų | 153.2 | 82% | 0.822 | 76% | 0.758 | S | S | * | * | | | trans | 84.8 | 145.1 | 155.5 | -64.1 | -69.1 | -26.4 | 0 | 0 | 118.1 | | |
| 803 | P | 29 | Very low | 26.8 | Very low | 98 Ų | 98 | 152.4 Ų | 152.4 | 64% | 0.636 | 76% | 0.758 | S | S | * | * | | | trans | -99 | 170.5 | -155.1 | 39.6 | -38.9 | 0 | 0 | 0 | 115.4 | I805 | P803-I805 PolarHBondContact O-N 2.98Š|
| 804 | L | 28.3 | Very low | 27 | Very low | 180 Ų | 180 | 147.7 Ų | 147.7 | 94% | 0.942 | 76% | 0.755 | S | S | * | * | | | trans | -59.2 | 98.3 | 169.8 | -68 | 160.1 | 0 | 0 | 0 | 111.8 | M806 | L804-M806 PolarHBondContact O-N 3.44Š|
| 805 | I | 26.7 | Very low | 27.1 | Very low | 145 Ų | 145 | 149.8 Ų | 149.8 | 74% | 0.744 | 77% | 0.766 | S | S | * | * | | | trans | -78.6 | 118.7 | 164 | -66.9 | -179.1 | 0 | 0 | 0 | 108.9 | P803 N807 | P803-I805 PolarHBondContact O-N 2.98Å; I805-N807 PolarHBondContact O-N 2.98Å |
| 806 | M | 24 | Very low | 27.3 | Very low | 156 Ų | 156 | 149.1 Ų | 149.1 | 77% | 0.768 | 77% | 0.766 | S | S | * | * | | | trans | -66.6 | 89.4 | -180 | -175.4 | 81.7 | 167 | 0 | 0 | 111.8 | L804 N808 | L804-M806 PolarHBondContact O-N 3.44Å; M806-N808 PolarHBondContact O-N 3.11Å |
| 807 | N | 27.1 | Very low | 27.4 | Very low | 135 Ų | 135 | 144.9 Ų | 144.9 | 72% | 0.722 | 77% | 0.767 | S | S | * | * | | | trans | -87.2 | 102.4 | 169.2 | -92.7 | -23 | 0 | 0 | 0 | 110.7 | I805 Y809 | I805-N807 PolarHBondContact O-N 2.98Å; N807-Y809 PolarHBondContact O-N 3.45Å |
| 808 | N | 24.3 | Very low | 27.4 | Very low | 126 Ų | 126 | 142.6 Ų | 142.6 | 67% | 0.674 | 77% | 0.772 | S | S | * | * | | | trans | -69.3 | 108.5 | 172.4 | -67.2 | -69 | 0 | 0 | 0 | 110.6 | M806 | M806-N808 PolarHBondContact O-N 3.11Š|
| 809 | Y | 26.2 | Very low | 27.8 | Very low | 190 Ų | 190 | 137.1 Ų | 137.1 | 75% | 0.745 | 77% | 0.768 | S | S | * | * | | | trans | -133.7 | 114.9 | 161.9 | -81.8 | -79 | 0 | 0 | 0 | 111.7 | N807 | N807-Y809 PolarHBondContact O-N 3.45Š|
| 810 | Q | 23.2 | Very low | 27.8 | Very low | 152 Ų | 152 | 137.8 Ų | 137.8 | 71% | 0.71 | 78% | 0.775 | S | S | * | * | | | trans | 42.1 | 94.1 | 153.7 | -67.2 | 163.4 | -89.4 | 0 | 0 | 117.7 | E812 | Q810-E812 PolarHBondContact O-N 2.84Å; Q810-E812 VanDerWaalsContact O-N 3.16Å |
| 811 | S | 28.5 | Very low | 27.7 | Very low | 122 Ų | 122 | 138 Ų | 138 | 85% | 0.853 | 78% | 0.775 | S | S | * | * | | | trans | -69.5 | 99.1 | 146.5 | -56.4 | 0 | 0 | 0 | 0 | 109 | L813 | S811-L813 PolarHBondContact O-N 3.45Š|
| 812 | E | 26.2 | Very low | 27.6 | Very low | 175 Ų | 175 | 142.3 Ų | 142.3 | 82% | 0.818 | 78% | 0.78 | S | S | * | * | | | trans | -67.9 | 119.6 | 169 | -64.6 | -171.1 | 141.3 | 0 | 0 | 109.7 | Q810 | Q810-E812 PolarHBondContact O-N 2.84Å; Q810-E812 VanDerWaalsContact O-N 3.16Å |
| 813 | L | 28.3 | Very low | 27.8 | Very low | 143 Ų | 143 | 142 Ų | 142 | 75% | 0.749 | 78% | 0.779 | S | S | * | * | | | trans | -135.1 | 106.2 | 173.3 | -116.6 | 166.8 | 0 | 0 | 0 | 107.8 | S811 L815 | S811-L813 PolarHBondContact O-N 3.45Å; L813-L815 PolarHBondContact O-N 2.83Å; L813-L815 VanDerWaalsContact O-N 3.08Å |
| 814 | P | 29.5 | Very low | 27.8 | Very low | 126 Ų | 126 | 145.6 Ų | 145.6 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | | | trans | -73.5 | 104.4 | -170.8 | 27.5 | -34.1 | 0 | 0 | 0 | 111.4 | G816 | P814-G816 PolarHBondContact O-N 3.41Š|
| 815 | L | 30 | Very low | 27.7 | Very low | 166 Ų | 166 | 142.8 Ų | 142.8 | 87% | 0.869 | 78% | 0.775 | S | S | * | * | | | trans | -76.7 | 113 | 171 | -100.5 | 65.9 | 0 | 0 | 0 | 110.4 | L813 | L813-L815 PolarHBondContact O-N 2.83Å; L813-L815 VanDerWaalsContact O-N 3.08Å |
| 816 | G | 29.1 | Very low | 27.6 | Very low | 66 Ų | 66 | 144.5 Ų | 144.5 | 68% | 0.68 | 78% | 0.78 | S | S | * | * | | | trans | -76.1 | 140.2 | 170.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | P814 | P814-G816 PolarHBondContact O-N 3.41Š|
| 817 | S | 29.7 | Very low | 28.2 | Very low | 121 Ų | 121 | 142 Ų | 142 | 85% | 0.846 | 78% | 0.775 | S | S | * | * | | | trans | 29.1 | 101.3 | 150.7 | 59.6 | 0 | 0 | 0 | 0 | 118.7 | | |
| 818 | G | 24.3 | Very low | 28.2 | Very low | 71 Ų | 71 | 143.9 Ų | 143.9 | 73% | 0.732 | 78% | 0.78 | S | S | * | * | | | trans | -85.3 | -162.8 | 147 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 819 | P | 36.2 | Very low | 28.4 | Very low | 127 Ų | 127 | 143.3 Ų | 143.3 | 83% | 0.825 | 78% | 0.776 | S | S | * | * | | | cis | -126.5 | 149.3 | -9.9 | 38.1 | -24 | 0 | 0 | 0 | 113.2 | | |
| 820 | V | 28.4 | Very low | 28.5 | Very low | 130 Ų | 130 | 143.3 Ų | 143.3 | 79% | 0.788 | 78% | 0.78 | S | S | * | * | | | trans | -132 | 117.7 | 179.6 | 178.5 | 0 | 0 | 0 | 0 | 111.1 | | |
| 821 | I | 29.1 | Very low | 28.9 | Very low | 144 Ų | 144 | 141.5 Ų | 141.5 | 74% | 0.738 | 78% | 0.782 | S | S | * | * | | | trans | 52.2 | 91.8 | 157.1 | -57.5 | 168.3 | 0 | 0 | 0 | 115.3 | | |
| 822 | R | 24.3 | Very low | 28.8 | Very low | 240 Ų | 240 | 141.6 Ų | 141.6 | 91% | 0.906 | 78% | 0.782 | S | S | * | * | | | | 38.9 | 100.3 | 88.1 | -81.6 | -169.5 | 170.7 | -171.9 | -1.6 | 115.4 | | |
| 823 | Q | 30.7 | Very low | 28.9 | Very low | 168 Ų | 168 | 138.7 Ų | 138.7 | 79% | 0.785 | 78% | 0.782 | S | S | * | * | | | trans | -160.3 | 142.9 | 144.4 | -110.8 | 177.5 | 9.1 | 0 | 0 | 112.8 | | |
| 824 | F | 29.6 | Very low | 29 | Very low | 175 Ų | 175 | 140.6 Ų | 140.6 | 77% | 0.768 | 79% | 0.789 | S | S | * | * | | | trans | 41.7 | 86.9 | 162.3 | -58.2 | -65.8 | 0 | 0 | 0 | 121.7 | | |
| 825 | T | 27.2 | Very low | 29.1 | Very low | 121 Ų | 121 | 144.6 Ų | 144.6 | 74% | 0.742 | 79% | 0.793 | S | S | * | * | | | | 30.9 | 105.1 | 104.6 | -45.1 | 0 | 0 | 0 | 0 | 120.2 | | |
| 826 | E | 24.2 | Very low | 29.2 | Very low | 181 Ų | 181 | 142.3 Ų | 142.3 | 85% | 0.846 | 79% | 0.791 | S | S | * | * | | | trans | 67.7 | 169.7 | 137.8 | -98 | -160.9 | 127.7 | 0 | 0 | 120.6 | | |
| 827 | P | 35.7 | Very low | 29.4 | Very low | 103 Ų | 103 | 145.3 Ų | 145.3 | 67% | 0.669 | 79% | 0.788 | S | S | * | * | | | | -120.8 | 172.6 | -129.9 | 44 | -32.7 | 0 | 0 | 0 | 114.9 | | |
| 828 | E | 28 | Very low | 29.7 | Very low | 174 Ų | 174 | 143.8 Ų | 143.8 | 81% | 0.813 | 78% | 0.777 | S | S | * | * | | | trans | -158 | 129 | 140.4 | -85.2 | -134.6 | 137 | 0 | 0 | 113.3 | | |
| 829 | L | 27.6 | Very low | 30.3 | Very low | 114 Ų | 114 | 143.6 Ų | 143.6 | 60% | 0.597 | 76% | 0.758 | S | S | * | * | | | trans | 45.5 | 120.4 | 143.6 | -66.7 | 132.4 | 0 | 0 | 0 | 124.7 | | |
| 830 | F | 28.7 | Very low | 30.3 | Very low | 190 Ų | 190 | 145.5 Ų | 145.5 | 83% | 0.833 | 76% | 0.756 | S | S | * | * | | | trans | 83.5 | 151.5 | 136.3 | -71.8 | -33.8 | 0 | 0 | 0 | 122.2 | | |
| 831 | P | 31.3 | Very low | 30.8 | Very low | 115 Ų | 115 | 143.2 Ų | 143.2 | 75% | 0.747 | 74% | 0.737 | S | S | * | * | | | trans | -119.5 | 134.4 | -146.5 | 36.4 | -20.5 | 0 | 0 | 0 | 114.9 | S833 | P831-S833 PolarHBondContact O-N 3.33Š|
| 832 | S | 26.9 | Very low | 31.7 | Very low | 123 Ų | 123 | 142.6 Ų | 142.6 | 86% | 0.86 | 74% | 0.735 | S | S | * | * | | | trans | -75.8 | 90.2 | 171.8 | 59.9 | 0 | 0 | 0 | 0 | 111.9 | M834 | S832-M834 PolarHBondContact O-N 3.32Š|
| 833 | S | 27.6 | Very low | 32.7 | Very low | 115 Ų | 115 | 136.3 Ų | 136.3 | 80% | 0.804 | 72% | 0.723 | S | S | * | * | | | trans | -64.4 | 120.6 | 155.3 | -179.9 | 0 | 0 | 0 | 0 | 108.8 | P831 | P831-S833 PolarHBondContact O-N 3.33Š|
| 834 | M | 30.6 | Very low | 33.8 | Very low | 182 Ų | 182 | 133.2 Ų | 133.2 | 90% | 0.897 | 72% | 0.716 | S | S | * | * | | | trans | 168.3 | 83.3 | 159.3 | -91.6 | -83.9 | 171.7 | 0 | 0 | 108.6 | S832 | S832-M834 PolarHBondContact O-N 3.32Š|
| 835 | K | 32.6 | Very low | 34.8 | Very low | 210 Ų | 210 | 130.3 Ų | 130.3 | 91% | 0.913 | 71% | 0.705 | S | S | * | * | | | trans | -123.8 | 111.8 | 160.4 | -99.5 | -173.6 | 175.9 | 179.2 | 0 | 109.2 | E837 | K835-E837 PolarHBondContact O-N 3.42Š|
| 836 | S | 30.6 | Very low | 36.5 | Very low | 118 Ų | 118 | 129.7 Ų | 129.7 | 83% | 0.825 | 70% | 0.695 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 118.8 | 178.2 | 51.3 | 0 | 0 | 0 | 0 | 111.4 | | |
| 837 | E | 34.7 | Very low | 39 | Very low | 130 Ų | 130 | 122.5 Ų | 122.5 | 61% | 0.607 | 66% | 0.662 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 139.3 | 156.3 | -64.3 | 164 | 115.6 | 0 | 0 | 108.7 | K835 Q1486 K1487 | K835-E837 PolarHBondContact O-N 3.42Å; E837-Q1486 VanDerWaalsContact C-NE2 3.33Å; E837-Q1486 PolarHBondContact O-NE2 3.17Å; E837-Q1486 PolarHBondContact O-OE1 2.87Å; E837-K1487 WeakPolarHBondContact OE2-CE 3.38Å; E837-K1487 IonicContact OE2-NZ 2.76Å; E837-K1487 PolarHBondContact OE2-NZ 2.8Å |
| 838 | S | 35.5 | Very low | 41 | Very low | 89 Ų | 89 | 122.1 Ų | 122.1 | 62% | 0.622 | 65% | 0.65 | S | S | * | * | P | Polyproline II helix | trans | -80 | 141.4 | -178.8 | 50.1 | 0 | 0 | 0 | 0 | 112.7 | H840 Q1486 | S838-H840 PolarHBondContact O-N 2.97Å; S838-H840 VanDerWaalsContact O-N 3.09Å; S838-Q1486 VanDerWaalsContact C-NE2 3.26Å; S838-Q1486 PolarHBondContact O-NE2 3.29Å; S838-Q1486 VanDerWaalsContact O-NE2 3.14Å |
| 839 | I | 36 | Very low | 43.8 | Very low | 66 Ų | 66 | 118.8 Ų | 118.8 | 34% | 0.338 | 64% | 0.642 | S | S | . | * | | | trans | -79.6 | 84.5 | 170 | -52 | 153.4 | 0 | 0 | 0 | 108.5 | Q841 S1484 Q1486 | I839-Q841 HydrophobicContact CG2-CG 4.26Å; I839-Q841 PolarHBondContact O-N 3.18Å; I839-S1484 WeakPolarHBondContact CG2-OG 3.13Å; I839-Q1486 HydrophobicContact CB-CG 4.49Å; I839-Q1486 HydrophobicContact CD1-CB 4.04Å; I839-Q1486 HydrophobicContact CG1-CB 3.51Å; I839-Q1486 HydrophobicContact CG1-CG 3.58Å |
| 840 | H | 36.6 | Very low | 46.5 | Very low | 168 Ų | 168 | 116.4 Ų | 116.4 | 78% | 0.778 | 64% | 0.635 | S | S | * | * | | | trans | -78.5 | 102.8 | 160.6 | -89.3 | -64.7 | 0 | 0 | 0 | 109.2 | S838 N842 | S838-H840 PolarHBondContact O-N 2.97Å; S838-H840 VanDerWaalsContact O-N 3.09Å; H840-N842 VanDerWaalsContact C-N 3.29Å; H840-N842 PolarHBondContact O-N 3.2Å |
| 841 | Q | 39.6 | Very low | 49.2 | Very low | 81 Ų | 81 | 111.5 Ų | 111.5 | 38% | 0.379 | 62% | 0.617 | S | S | . | * | | | trans | -62.5 | 91.9 | 166 | -66.5 | 175.9 | 26.5 | 0 | 0 | 108.2 | I839 T843 S1482 S1484 | I839-Q841 HydrophobicContact CG2-CG 4.26Å; I839-Q841 PolarHBondContact O-N 3.18Å; Q841-T843 PolarHBondContact O-N 3.23Å; Q841-S1482 PolarHBondContact NE2-OG 2.92Å; Q841-S1482 PolarHBondContact OE1-OG 2.8Å; Q841-S1484 PolarHBondContact NE2-OG 3.3Å |
| 842 | N | 46.9 | Very low | 52.1 | Low | 131 Ų | 131 | 111.5 Ų | 111.5 | 70% | 0.701 | 61% | 0.61 | S | S | * | * | | | trans | -77.6 | 107.4 | 175.3 | -162.2 | 15.1 | 0 | 0 | 0 | 108 | H840 T844 | H840-N842 VanDerWaalsContact C-N 3.29Å; H840-N842 PolarHBondContact O-N 3.2Å; N842-T844 PolarHBondContact O-N 3.4Å |
| 843 | T | 45.5 | Very low | 55.1 | Low | 108 Ų | 108 | 112.8 Ų | 112.8 | 66% | 0.663 | 60% | 0.6 | S | S | * | * | | | trans | -51.4 | 128.1 | -178.3 | -57.2 | 0 | 0 | 0 | 0 | 110.2 | Q841 Q845 | Q841-T843 PolarHBondContact O-N 3.23Å; T843-Q845 PolarHBondContact O-N 3.39Å |
| 844 | T | 54.9 | Low | 58.1 | Low | 103 Ų | 103 | 112.2 Ų | 112.2 | 63% | 0.632 | 58% | 0.584 | S | S | * | * | | | trans | -68.9 | 81.7 | 172.6 | 52.6 | 0 | 0 | 0 | 0 | 110.2 | N842 | N842-T844 PolarHBondContact O-N 3.4Š|
| 845 | Q | 51 | Low | 60.9 | Low | 114 Ų | 114 | 107 Ų | 107 | 53% | 0.533 | 56% | 0.561 | S | S | . | * | | | trans | -48.3 | 131.9 | 157.9 | -143.6 | -154.1 | -1.2 | 0 | 0 | 105.5 | T843 N1493 S1494 | T843-Q845 PolarHBondContact O-N 3.39Å; Q845-N1493 CarbonylContact C-O 3.17Å; Q845-N1493 WeakPolarHBondContact CB-O 3.18Å; Q845-N1493 CarbonylContact O-C 3.58Å; Q845-S1494 VanDerWaalsContact C-CA 3.43Å; Q845-S1494 VanDerWaalsContact CD-CB 3.45Å; Q845-S1494 PolarHBondContact O-N 2.98Å |
| 846 | M | 62.3 | Low | 63.8 | Low | 108 Ų | 108 | 102.9 Ų | 102.9 | 53% | 0.532 | 54% | 0.544 | S | S | . | . | | | trans | -114.4 | 66.1 | -153.3 | 169.1 | -123.3 | -66.8 | 0 | 0 | 113.8 | F848 S1495 | M846-F848 PolarHBondContact O-N 2.76Å; M846-S1495 VanDerWaalsContact O-CB 3.22Å; M846-S1495 WeakPolarHBondContact O-CB 3.45Å; M846-S1495 PolarHBondContact O-OG 2.74Å |
| 847 | D | 76.8 | Confident | 66.7 | Low | 31 Ų | 31 | 102.6 Ų | 102.6 | 17% | 0.166 | 53% | 0.53 | C | S | . | . | | | trans | -11 | 99.9 | -163.9 | -167.4 | 14.1 | 0 | 0 | 0 | 120 | T849 S850 L851 N1493 S1494 S1495 | D847-T849 VanDerWaalsContact C-N 3.26Å; D847-T849 PolarHBondContact O-N 2.77Å; D847-T849 WeakPolarHBondContact OD1-CB 3.18Å; D847-T849 PolarHBondContact OD1-N 2.8Å; D847-T849 PolarHBondContact OD1-OG1 3.37Å; D847-S850 WeakPolarHBondContact O-CB 3.44Å; D847-S850 PolarHBondContact O-N 3.41Å; D847-S850 WeakPolarHBondContact OD2-CB 3.44Å; D847-S850 PolarHBondContact OD2-N 3.11Å; D847-L851 PolarHBondContact O-N 2.74Å; D847-L851 VanDerWaalsContact O-N 3.12Å; D847-N1493 HydrophobicContact CB-CB 3.77Å; D847-N1493 VanDerWaalsContact CB-ND2 3.27Å; D847-N1493 WeakPolarHBondContact CB-ND2 3.4Å; D847-N1493 PolarHBondContact OD2-ND2 3.18Å; D847-S1494 CarbonylContact C-O 3.47Å; D847-S1494 WeakPolarHBondContact CA-O 3.16Å; D847-S1494 VanDerWaalsContact N-N 3.18Å; D847-S1495 VanDerWaalsContact C-OG 3.32Å |
| 848 | F | 77.5 | Confident | 69.5 | Low | 94 Ų | 94 | 100.7 Ų | 100.7 | 41% | 0.412 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -68.9 | -29.4 | 179.3 | -95.5 | -30.7 | 0 | 0 | 0 | 112 | M846 S850 L851 L852 S1494 S1495 S1496 | M846-F848 PolarHBondContact O-N 2.76Å; F848-S850 VanDerWaalsContact C-N 3.28Å; F848-S850 PolarHBondContact O-N 3.14Å; F848-L851 PolarHBondContact O-N 3.42Å; F848-L852 VanDerWaalsContact O-CB 3.31Å; F848-L852 WeakPolarHBondContact O-CB 3.19Å; F848-L852 PolarHBondContact O-N 3.36Å; F848-S1494 PolarHBondContact N-O 3.2Å; F848-S1495 WeakPolarHBondContact CA-OG 3.27Å; F848-S1495 VanDerWaalsContact CB-OG 3.24Å; F848-S1495 WeakPolarHBondContact CB-OG 3.29Å; F848-S1495 WeakPolarHBondContact CD1-OG 3.43Å; F848-S1495 WeakPolarHBondContact CD2-OG 3.12Å; F848-S1495 WeakPolarHBondContact CG-OG 3.22Å; F848-S1495 PolarHBondContact N-OG 3.15Å; F848-S1496 VanDerWaalsContact CE2-CA 3.49Å |
| 849 | T | 85.8 | Confident | 72.2 | Confident | 105 Ų | 105 | 102.4 Ų | 102.4 | 64% | 0.644 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -64.9 | -38.5 | 178.1 | -18.2 | 0 | 0 | 0 | 0 | 110.1 | D847 K853 | D847-T849 VanDerWaalsContact C-N 3.26Å; D847-T849 PolarHBondContact O-N 2.77Å; D847-T849 WeakPolarHBondContact OD1-CB 3.18Å; D847-T849 PolarHBondContact OD1-N 2.8Å; D847-T849 PolarHBondContact OD1-OG1 3.37Å; T849-K853 WeakPolarHBondContact O-CB 3.42Å; T849-K853 PolarHBondContact O-N 2.78Å |
| 850 | S | 85.1 | Confident | 74.9 | Confident | 64 Ų | 64 | 105 Ų | 105 | 45% | 0.448 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -65.8 | -50.8 | 170.7 | -173.9 | 0 | 0 | 0 | 0 | 111.4 | D847 F848 L852 K853 E854 | D847-S850 WeakPolarHBondContact O-CB 3.44Å; D847-S850 PolarHBondContact O-N 3.41Å; D847-S850 WeakPolarHBondContact OD2-CB 3.44Å; D847-S850 PolarHBondContact OD2-N 3.11Å; F848-S850 VanDerWaalsContact C-N 3.28Å; F848-S850 PolarHBondContact O-N 3.14Å; S850-L852 VanDerWaalsContact C-N 3.34Å; S850-L852 PolarHBondContact O-N 2.65Å; S850-K853 PolarHBondContact O-N 3.16Å; S850-K853 VanDerWaalsContact O-N 3.14Å; S850-E854 PolarHBondContact O-N 3.44Å |
| 851 | L | 85.6 | Confident | 77.6 | Confident | 86 Ų | 86 | 104.2 Ų | 104.2 | 45% | 0.45 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -61.1 | -38.5 | -177.5 | -141.2 | 78.9 | 0 | 0 | 0 | 113.2 | D847 F848 N855 | D847-L851 PolarHBondContact O-N 2.74Å; D847-L851 VanDerWaalsContact O-N 3.12Å; F848-L851 PolarHBondContact O-N 3.42Å; L851-N855 WeakPolarHBondContact O-CB 3.27Å; L851-N855 PolarHBondContact O-N 3.39Å |
| 852 | L | 91.2 | Very high | 80.1 | Confident | 115 Ų | 115 | 105.1 Ų | 105.1 | 60% | 0.602 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -67.4 | -41.5 | 176.5 | -167.1 | 78.5 | 0 | 0 | 0 | 111.5 | F848 S850 N855 Q856 | F848-L852 VanDerWaalsContact O-CB 3.31Å; F848-L852 WeakPolarHBondContact O-CB 3.19Å; F848-L852 PolarHBondContact O-N 3.36Å; S850-L852 VanDerWaalsContact C-N 3.34Å; S850-L852 PolarHBondContact O-N 2.65Å; L852-N855 PolarHBondContact O-N 2.96Å; L852-Q856 WeakPolarHBondContact O-CG 3.44Å; L852-Q856 PolarHBondContact O-N 2.87Å |
| 853 | K | 90.7 | Very high | 82.2 | Confident | 151 Ų | 151 | 104 Ų | 104 | 66% | 0.657 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -68.7 | -39.1 | 179.2 | -169.1 | 177.7 | -177.2 | -177.2 | 0 | 111.8 | T849 S850 Q856 Q857 | T849-K853 WeakPolarHBondContact O-CB 3.42Å; T849-K853 PolarHBondContact O-N 2.78Å; S850-K853 PolarHBondContact O-N 3.16Å; S850-K853 VanDerWaalsContact O-N 3.14Å; K853-Q856 PolarHBondContact O-N 3.18Å; K853-Q857 PolarHBondContact O-N 3.39Å |
| 854 | E | 90.6 | Very high | 84.2 | Confident | 102 Ų | 102 | 103 Ų | 103 | 48% | 0.477 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.7 | -44.3 | 171.3 | -173.5 | 179.6 | -177.4 | 0 | 0 | 111.2 | S850 Q856 Q857 L858 | S850-E854 PolarHBondContact O-N 3.44Å; E854-Q856 VanDerWaalsContact C-N 3.32Å; E854-Q856 PolarHBondContact O-N 2.71Å; E854-Q857 PolarHBondContact O-N 3.35Å; E854-Q857 VanDerWaalsContact O-N 3.13Å; E854-L858 HydrophobicContact CG-CD1 4.21Å; E854-L858 WeakPolarHBondContact O-CG 3.05Å; E854-L858 PolarHBondContact O-N 2.93Å |
| 855 | N | 89.7 | Confident | 85.9 | Confident | 74 Ų | 74 | 101.2 Ų | 101.2 | 40% | 0.396 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.5 | -36.9 | 176.6 | -163.2 | -94.6 | 0 | 0 | 0 | 112.7 | L851 L852 K859 | L851-N855 WeakPolarHBondContact O-CB 3.27Å; L851-N855 PolarHBondContact O-N 3.39Å; L852-N855 PolarHBondContact O-N 2.96Å; N855-K859 WeakPolarHBondContact O-CG 3.29Å; N855-K859 PolarHBondContact O-N 3.34Å; N855-K859 VanDerWaalsContact OD1-CE 3.3Å; N855-K859 WeakPolarHBondContact OD1-CE 3.17Å; N855-K859 PolarHBondContact OD1-NZ 3.3Å |
| 856 | Q | 92.4 | Very high | 87.5 | Confident | 122 Ų | 122 | 99.9 Ų | 99.9 | 57% | 0.57 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -65.1 | -43.5 | 171.7 | -74.1 | 175.1 | -20.4 | 0 | 0 | 111.9 | L852 K853 E854 K859 Q860 | L852-Q856 WeakPolarHBondContact O-CG 3.44Å; L852-Q856 PolarHBondContact O-N 2.87Å; K853-Q856 PolarHBondContact O-N 3.18Å; E854-Q856 VanDerWaalsContact C-N 3.32Å; E854-Q856 PolarHBondContact O-N 2.71Å; Q856-K859 PolarHBondContact O-N 3.49Å; Q856-Q860 PolarHBondContact O-N 3.15Å |
| 857 | Q | 93.4 | Very high | 88.5 | Confident | 113 Ų | 113 | 97.4 Ų | 97.4 | 53% | 0.528 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64.9 | -38.9 | 177.4 | -170.9 | 175.4 | 7.1 | 0 | 0 | 112.4 | K853 E854 Q860 R861 | K853-Q857 PolarHBondContact O-N 3.39Å; E854-Q857 PolarHBondContact O-N 3.35Å; E854-Q857 VanDerWaalsContact O-N 3.13Å; Q857-Q860 PolarHBondContact O-N 3.35Å; Q857-R861 PolarHBondContact O-N 3.21Å |
| 858 | L | 93.3 | Very high | 89 | Confident | 90 Ų | 90 | 104.2 Ų | 104.2 | 47% | 0.471 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -65.3 | -40.8 | 174.5 | -72.4 | 169.5 | 0 | 0 | 0 | 112 | E854 R861 L862 | E854-L858 HydrophobicContact CG-CD1 4.21Å; E854-L858 WeakPolarHBondContact O-CG 3.05Å; E854-L858 PolarHBondContact O-N 2.93Å; L858-R861 PolarHBondContact O-N 3.4Å; L858-L862 PolarHBondContact O-N 3.23Å |
| 859 | K | 92.4 | Very high | 89.2 | Confident | 124 Ų | 124 | 102.4 Ų | 102.4 | 54% | 0.539 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.5 | -41.9 | 172.9 | -78.5 | 166.9 | 173.1 | 158.4 | 0 | 112.1 | N855 Q856 R861 L862 I863 | N855-K859 WeakPolarHBondContact O-CG 3.29Å; N855-K859 PolarHBondContact O-N 3.34Å; N855-K859 VanDerWaalsContact OD1-CE 3.3Å; N855-K859 WeakPolarHBondContact OD1-CE 3.17Å; N855-K859 PolarHBondContact OD1-NZ 3.3Å; Q856-K859 PolarHBondContact O-N 3.49Å; K859-R861 VanDerWaalsContact C-N 3.34Å; K859-R861 PolarHBondContact O-N 3.49Å; K859-L862 PolarHBondContact O-N 2.83Å; K859-I863 WeakPolarHBondContact O-CG1 3.34Å; K859-I863 PolarHBondContact O-N 2.92Å; K859-I863 VanDerWaalsContact O-N 3.11Å |
| 860 | Q | 91.1 | Very high | 89 | Confident | 122 Ų | 122 | 103.8 Ų | 103.8 | 57% | 0.57 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -64.6 | -37.9 | 177 | -169.3 | 59.3 | 69.7 | 0 | 0 | 112.5 | Q856 Q857 I863 D864 | Q856-Q860 PolarHBondContact O-N 3.15Å; Q857-Q860 PolarHBondContact O-N 3.35Å; Q860-I863 PolarHBondContact O-N 2.75Å; Q860-D864 PolarHBondContact O-N 3.46Å |
| 861 | R | 94.7 | Very high | 88.9 | Confident | 151 Ų | 151 | 107.4 Ų | 107.4 | 57% | 0.57 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -66.9 | -36 | 172.8 | -75.4 | 178.6 | 169.9 | 179.6 | -4.2 | 113 | Q857 L858 K859 I863 D864 I865 | Q857-R861 PolarHBondContact O-N 3.21Å; L858-R861 PolarHBondContact O-N 3.4Å; K859-R861 VanDerWaalsContact C-N 3.34Å; K859-R861 PolarHBondContact O-N 3.49Å; R861-I863 VanDerWaalsContact C-N 3.33Å; R861-D864 PolarHBondContact O-N 3.44Å; R861-I865 WeakPolarHBondContact O-CB 3.32Å; R861-I865 WeakPolarHBondContact O-CD1 3.37Å; R861-I865 VanDerWaalsContact O-CG1 3.26Å; R861-I865 WeakPolarHBondContact O-CG1 3.46Å; R861-I865 PolarHBondContact O-N 3.31Å |
| 862 | L | 90.9 | Very high | 88.9 | Confident | 100 Ų | 100 | 107 Ų | 107 | 52% | 0.524 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -65.7 | -37.3 | 176.1 | -175.3 | 61.4 | 0 | 0 | 0 | 111.9 | L858 K859 I865 N866 | L858-L862 PolarHBondContact O-N 3.23Å; K859-L862 PolarHBondContact O-N 2.83Å; L862-I865 PolarHBondContact O-N 3.39Å; L862-N866 WeakPolarHBondContact O-CB 3.41Å; L862-N866 PolarHBondContact O-N 2.89Å; L862-N866 PolarHBondContact O-OD1 3.22Å |
| 863 | I | 91.1 | Very high | 88.4 | Confident | 106 Ų | 106 | 106.9 Ų | 106.9 | 54% | 0.544 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.7 | -45.8 | 174.2 | -65.9 | 164.2 | 0 | 0 | 0 | 110.9 | K859 Q860 R861 N866 A867 | K859-I863 WeakPolarHBondContact O-CG1 3.34Å; K859-I863 PolarHBondContact O-N 2.92Å; K859-I863 VanDerWaalsContact O-N 3.11Å; Q860-I863 PolarHBondContact O-N 2.75Å; R861-I863 VanDerWaalsContact C-N 3.33Å; I863-N866 PolarHBondContact O-N 3.38Å; I863-A867 PolarHBondContact O-N 3.02Å |
| 864 | D | 87.4 | Confident | 88.2 | Confident | 87 Ų | 87 | 105.1 Ų | 105.1 | 47% | 0.465 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60.3 | -44.8 | 175.8 | -179.8 | 73.4 | 0 | 0 | 0 | 112.4 | Q860 R861 N866 A867 R868 | Q860-D864 PolarHBondContact O-N 3.46Å; R861-D864 PolarHBondContact O-N 3.44Å; D864-N866 VanDerWaalsContact C-N 3.33Å; D864-N866 PolarHBondContact O-N 3.23Å; D864-A867 PolarHBondContact O-N 2.72Å; D864-R868 WeakPolarHBondContact O-CG 3.25Å; D864-R868 PolarHBondContact O-N 2.72Å |
| 865 | I | 90.3 | Very high | 88.1 | Confident | 67 Ų | 67 | 104 Ų | 104 | 34% | 0.344 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64 | -37 | 176.9 | -70.9 | 165.9 | 0 | 0 | 0 | 111.8 | R861 L862 R868 L869 | R861-I865 WeakPolarHBondContact O-CB 3.32Å; R861-I865 WeakPolarHBondContact O-CD1 3.37Å; R861-I865 VanDerWaalsContact O-CG1 3.26Å; R861-I865 WeakPolarHBondContact O-CG1 3.46Å; R861-I865 PolarHBondContact O-N 3.31Å; L862-I865 PolarHBondContact O-N 3.39Å; I865-R868 PolarHBondContact O-N 3.03Å; I865-L869 PolarHBondContact O-N 2.71Å; I865-L869 VanDerWaalsContact O-N 3.07Å |
| 866 | N | 85.1 | Confident | 88 | Confident | 85 Ų | 85 | 106.1 Ų | 106.1 | 46% | 0.455 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -71.2 | -39.5 | 177.1 | -76.8 | 11.7 | 0 | 0 | 0 | 112.1 | L862 I863 D864 R868 L869 Q870 | L862-N866 WeakPolarHBondContact O-CB 3.41Å; L862-N866 PolarHBondContact O-N 2.89Å; L862-N866 PolarHBondContact O-OD1 3.22Å; I863-N866 PolarHBondContact O-N 3.38Å; D864-N866 VanDerWaalsContact C-N 3.33Å; D864-N866 PolarHBondContact O-N 3.23Å; N866-R868 VanDerWaalsContact C-N 3.32Å; N866-R868 PolarHBondContact O-N 3.12Å; N866-L869 VanDerWaalsContact O-CB 3.25Å; N866-L869 WeakPolarHBondContact O-CB 3.35Å; N866-L869 PolarHBondContact O-N 2.78Å; N866-L869 VanDerWaalsContact O-N 3.07Å; N866-Q870 PolarHBondContact O-N 2.96Å |
| 867 | A | 84.1 | Confident | 87.9 | Confident | 57 Ų | 57 | 106.7 Ų | 106.7 | 47% | 0.471 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.8 | -41.6 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | I863 D864 L869 Q870 | I863-A867 PolarHBondContact O-N 3.02Å; D864-A867 PolarHBondContact O-N 2.72Å; A867-L869 PolarHBondContact O-N 3.07Å; A867-Q870 PolarHBondContact O-N 3.27Å |
| 868 | R | 85.6 | Confident | 87.9 | Confident | 174 Ų | 174 | 105.1 Ų | 105.1 | 66% | 0.657 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -70.4 | -11.2 | 173.9 | -68 | 179.4 | 65.2 | -171.3 | 0.3 | 114.3 | D864 I865 N866 | D864-R868 WeakPolarHBondContact O-CG 3.25Å; D864-R868 PolarHBondContact O-N 2.72Å; I865-R868 PolarHBondContact O-N 3.03Å; N866-R868 VanDerWaalsContact C-N 3.32Å; N866-R868 PolarHBondContact O-N 3.12Å |
| 869 | L | 83.5 | Confident | 87.9 | Confident | 56 Ų | 56 | 105.5 Ų | 105.5 | 29% | 0.293 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -82.2 | -36.6 | 175.5 | -113.9 | 173.6 | 0 | 0 | 0 | 111.9 | I865 N866 A867 Y871 V872 R1520 | I865-L869 PolarHBondContact O-N 2.71Å; I865-L869 VanDerWaalsContact O-N 3.07Å; N866-L869 VanDerWaalsContact O-CB 3.25Å; N866-L869 WeakPolarHBondContact O-CB 3.35Å; N866-L869 PolarHBondContact O-N 2.78Å; N866-L869 VanDerWaalsContact O-N 3.07Å; A867-L869 PolarHBondContact O-N 3.07Å; L869-Y871 PolarHBondContact O-N 3.2Å; L869-V872 HydrophobicContact CD2-CG2 4.27Å; L869-V872 VanDerWaalsContact O-CB 3.25Å; L869-V872 WeakPolarHBondContact O-CB 3.45Å; L869-V872 WeakPolarHBondContact O-CG2 3.34Å; L869-V872 PolarHBondContact O-N 2.69Å; L869-R1520 VanDerWaalsContact CG-NH2 3.27Å |
| 870 | Q | 81.4 | Confident | 87.9 | Confident | 133 Ų | 133 | 104 Ų | 104 | 62% | 0.621 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -62 | -26.3 | -179.9 | -62.4 | -179.8 | -74.9 | 0 | 0 | 112.4 | N866 A867 V872 D873 | N866-Q870 PolarHBondContact O-N 2.96Å; A867-Q870 PolarHBondContact O-N 3.27Å; Q870-V872 PolarHBondContact O-N 3.32Å; Q870-D873 PolarHBondContact O-N 3.5Å |
| 871 | Y | 83.2 | Confident | 88 | Confident | 140 Ų | 140 | 102.3 Ų | 102.3 | 55% | 0.549 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -66.2 | -18 | 171.7 | -169.6 | -114.5 | 0 | 0 | 0 | 113.8 | L869 E874 L875 | L869-Y871 PolarHBondContact O-N 3.2Å; Y871-E874 WeakPolarHBondContact CD2-OE2 3.12Å; Y871-L875 HydrophobicContact CD1-CD1 3.8Å; Y871-L875 HydrophobicContact CD1-CG 4.21Å; Y871-L875 HydrophobicContact CE1-CD1 3.7Å; Y871-L875 HydrophobicContact CE1-CD2 4.22Å; Y871-L875 HydrophobicContact CE1-CG 3.96Å; Y871-L875 VanDerWaalsContact O-CG 3.27Å; Y871-L875 WeakPolarHBondContact O-CG 3.37Å; Y871-L875 PolarHBondContact O-N 2.77Å; Y871-L875 VanDerWaalsContact O-N 3.11Å |
| 872 | V | 85 | Confident | 88 | Confident | 77 Ų | 77 | 100.3 Ų | 100.3 | 47% | 0.467 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -74 | -38 | 176 | -176.9 | 0 | 0 | 0 | 0 | 111 | L869 Q870 E874 L875 E876 | L869-V872 HydrophobicContact CD2-CG2 4.27Å; L869-V872 VanDerWaalsContact O-CB 3.25Å; L869-V872 WeakPolarHBondContact O-CB 3.45Å; L869-V872 WeakPolarHBondContact O-CG2 3.34Å; L869-V872 PolarHBondContact O-N 2.69Å; Q870-V872 PolarHBondContact O-N 3.32Å; V872-E874 VanDerWaalsContact C-N 3.34Å; V872-L875 PolarHBondContact O-N 2.97Å; V872-E876 PolarHBondContact O-N 2.8Å |
| 873 | D | 81.2 | Confident | 88.2 | Confident | 114 Ų | 114 | 98.4 Ų | 98.4 | 61% | 0.61 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -65.5 | -40.4 | 177.2 | -53.5 | -34.8 | 0 | 0 | 0 | 110.5 | Q870 E876 W877 | Q870-D873 PolarHBondContact O-N 3.5Å; D873-E876 PolarHBondContact O-N 2.65Å; D873-W877 PolarHBondContact O-N 3.04Å |
| 874 | E | 85.5 | Confident | 88.3 | Confident | 113 Ų | 113 | 98.8 Ų | 98.8 | 53% | 0.528 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -61.7 | -41.9 | 171.6 | -65.7 | -175.4 | 163.6 | 0 | 0 | 112 | Y871 V872 W877 H878 | Y871-E874 WeakPolarHBondContact CD2-OE2 3.12Å; V872-E874 VanDerWaalsContact C-N 3.34Å; E874-W877 PolarHBondContact O-N 2.76Å; E874-H878 PolarHBondContact O-N 3.28Å; E874-H878 VanDerWaalsContact O-N 3.14Å; E874-H878 PolarHBondContact O-ND1 3.09Å |
| 875 | L | 87.9 | Confident | 88.7 | Confident | 80 Ų | 80 | 99.2 Ų | 99.2 | 42% | 0.419 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -65.4 | -38.6 | 177.6 | -77.2 | 169.9 | 0 | 0 | 0 | 112.6 | Y871 V872 H878 V879 | Y871-L875 HydrophobicContact CD1-CD1 3.8Å; Y871-L875 HydrophobicContact CD1-CG 4.21Å; Y871-L875 HydrophobicContact CE1-CD1 3.7Å; Y871-L875 HydrophobicContact CE1-CD2 4.22Å; Y871-L875 HydrophobicContact CE1-CG 3.96Å; Y871-L875 VanDerWaalsContact O-CG 3.27Å; Y871-L875 WeakPolarHBondContact O-CG 3.37Å; Y871-L875 PolarHBondContact O-N 2.77Å; Y871-L875 VanDerWaalsContact O-N 3.11Å; V872-L875 PolarHBondContact O-N 2.97Å; L875-H878 PolarHBondContact O-N 3.36Å; L875-V879 WeakPolarHBondContact O-CG2 3.48Å; L875-V879 PolarHBondContact O-N 2.81Å; L875-V879 VanDerWaalsContact O-N 3.1Å |
| 876 | E | 88.5 | Confident | 88.9 | Confident | 118 Ų | 118 | 99.4 Ų | 99.4 | 55% | 0.551 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -62.6 | -44.3 | 175.8 | -170 | 179.4 | 152.3 | 0 | 0 | 111 | V872 D873 H878 V879 Q880 | V872-E876 PolarHBondContact O-N 2.8Å; D873-E876 PolarHBondContact O-N 2.65Å; E876-H878 VanDerWaalsContact C-N 3.34Å; E876-H878 PolarHBondContact O-N 3.16Å; E876-V879 PolarHBondContact O-N 2.93Å; E876-V879 VanDerWaalsContact O-N 3.14Å; E876-Q880 WeakPolarHBondContact O-CG 3.23Å; E876-Q880 PolarHBondContact O-N 3.29Å; E876-Q880 PolarHBondContact OE1-NE2 3.47Å |
| 877 | W | 89.9 | Confident | 89.4 | Confident | 134 Ų | 134 | 100.1 Ų | 100.1 | 51% | 0.508 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -58.3 | -44.3 | 176.6 | -179 | 85.6 | 0 | 0 | 0 | 112.2 | D873 E874 V879 Q880 Q881 | D873-W877 PolarHBondContact O-N 3.04Å; E874-W877 PolarHBondContact O-N 2.76Å; W877-V879 VanDerWaalsContact C-N 3.32Å; W877-V879 PolarHBondContact O-N 3.07Å; W877-Q880 PolarHBondContact O-N 2.97Å; W877-Q881 HydrophobicContact CD2-CG 3.96Å; W877-Q881 HydrophobicContact CE3-CG 4.1Å; W877-Q881 HydrophobicContact CH2-CG 3.8Å; W877-Q881 HydrophobicContact CZ2-CG 3.63Å; W877-Q881 HydrophobicContact CZ3-CG 4.03Å; W877-Q881 WeakPolarHBondContact O-CG 3.37Å; W877-Q881 PolarHBondContact O-N 3.39Å |
| 878 | H | 94.4 | Very high | 89.8 | Confident | 79 Ų | 79 | 100.4 Ų | 100.4 | 37% | 0.366 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61.7 | -37.9 | 176.1 | -75.3 | 89.8 | 0 | 0 | 0 | 112.7 | E874 L875 E876 Q881 L882 | E874-H878 PolarHBondContact O-N 3.28Å; E874-H878 VanDerWaalsContact O-N 3.14Å; E874-H878 PolarHBondContact O-ND1 3.09Å; L875-H878 PolarHBondContact O-N 3.36Å; E876-H878 VanDerWaalsContact C-N 3.34Å; E876-H878 PolarHBondContact O-N 3.16Å; H878-Q881 PolarHBondContact O-N 3.28Å; H878-L882 WeakPolarHBondContact O-CB 3.19Å; H878-L882 PolarHBondContact O-N 3.43Å |
| 879 | V | 93.2 | Very high | 90.3 | Very high | 99 Ų | 99 | 97.4 Ų | 97.4 | 60% | 0.6 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -66 | -39.7 | 175.1 | 171.3 | 0 | 0 | 0 | 0 | 111.4 | L875 E876 W877 L882 S883 | L875-V879 WeakPolarHBondContact O-CG2 3.48Å; L875-V879 PolarHBondContact O-N 2.81Å; L875-V879 VanDerWaalsContact O-N 3.1Å; E876-V879 PolarHBondContact O-N 2.93Å; E876-V879 VanDerWaalsContact O-N 3.14Å; W877-V879 VanDerWaalsContact C-N 3.32Å; W877-V879 PolarHBondContact O-N 3.07Å; V879-L882 PolarHBondContact O-N 3.07Å; V879-S883 PolarHBondContact O-N 3.49Å |
| 880 | Q | 91.9 | Very high | 90.9 | Very high | 92 Ų | 92 | 99.7 Ų | 99.7 | 43% | 0.43 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64 | -44.7 | 175.4 | -66.3 | 177.4 | 14.5 | 0 | 0 | 111.7 | E876 W877 L882 S883 H884 | E876-Q880 WeakPolarHBondContact O-CG 3.23Å; E876-Q880 PolarHBondContact O-N 3.29Å; E876-Q880 PolarHBondContact OE1-NE2 3.47Å; W877-Q880 PolarHBondContact O-N 2.97Å; Q880-L882 PolarHBondContact O-N 3.36Å; Q880-S883 WeakPolarHBondContact O-CB 3.34Å; Q880-S883 PolarHBondContact O-N 3.41Å; Q880-H884 PolarHBondContact O-N 2.76Å |
| 881 | Q | 93.2 | Very high | 91.5 | Very high | 87 Ų | 87 | 97.8 Ų | 97.8 | 41% | 0.407 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.1 | -43.2 | 175.5 | -63.2 | -48.9 | -54.2 | 0 | 0 | 112.3 | W877 H878 S883 H884 L885 | W877-Q881 HydrophobicContact CD2-CG 3.96Å; W877-Q881 HydrophobicContact CE3-CG 4.1Å; W877-Q881 HydrophobicContact CH2-CG 3.8Å; W877-Q881 HydrophobicContact CZ2-CG 3.63Å; W877-Q881 HydrophobicContact CZ3-CG 4.03Å; W877-Q881 WeakPolarHBondContact O-CG 3.37Å; W877-Q881 PolarHBondContact O-N 3.39Å; H878-Q881 PolarHBondContact O-N 3.28Å; Q881-S883 VanDerWaalsContact C-N 3.29Å; Q881-S883 PolarHBondContact O-N 3Å; Q881-H884 PolarHBondContact O-N 2.85Å; Q881-L885 PolarHBondContact O-N 3.47Å |
| 882 | L | 94.7 | Very high | 92 | Very high | 108 Ų | 108 | 94.5 Ų | 94.5 | 57% | 0.565 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -62 | -37.3 | 176.5 | -177.1 | 61.8 | 0 | 0 | 0 | 111.8 | H878 V879 Q880 L885 V886 | H878-L882 WeakPolarHBondContact O-CB 3.19Å; H878-L882 PolarHBondContact O-N 3.43Å; V879-L882 PolarHBondContact O-N 3.07Å; Q880-L882 PolarHBondContact O-N 3.36Å; L882-L885 PolarHBondContact O-N 3.31Å; L882-V886 WeakPolarHBondContact O-CG2 3.13Å; L882-V886 PolarHBondContact O-N 2.97Å |
| 883 | S | 95 | Very high | 92.5 | Very high | 61 Ų | 61 | 97 Ų | 97 | 43% | 0.427 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.2 | -46.9 | 176.6 | -162.3 | 0 | 0 | 0 | 0 | 111.7 | V879 Q880 Q881 L885 V886 E887 | V879-S883 PolarHBondContact O-N 3.49Å; Q880-S883 WeakPolarHBondContact O-CB 3.34Å; Q880-S883 PolarHBondContact O-N 3.41Å; Q881-S883 VanDerWaalsContact C-N 3.29Å; Q881-S883 PolarHBondContact O-N 3Å; S883-L885 VanDerWaalsContact C-N 3.33Å; S883-L885 PolarHBondContact O-N 3.13Å; S883-V886 PolarHBondContact O-N 2.91Å; S883-E887 WeakPolarHBondContact O-CG 3.48Å; S883-E887 PolarHBondContact O-N 3.39Å |
| 884 | H | 93.1 | Very high | 93 | Very high | 114 Ų | 114 | 97.3 Ų | 97.3 | 53% | 0.528 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -66.5 | -33.8 | 178.1 | -69.8 | -25.9 | 0 | 0 | 0 | 112.9 | Q880 Q881 E887 S888 | Q880-H884 PolarHBondContact O-N 2.76Å; Q881-H884 PolarHBondContact O-N 2.85Å; H884-E887 IonicContact CE1-OE2 2.79Å; H884-E887 IonicContact CG-OE2 2.68Å; H884-E887 IonicContact ND1-OE2 2.9Å; H884-E887 PolarHBondContact ND1-OE2 3.41Å; H884-E887 PolarHBondContact O-N 3.38Å; H884-S888 WeakPolarHBondContact O-CB 3.35Å; H884-S888 PolarHBondContact O-N 2.8Å |
| 885 | L | 95.4 | Very high | 93.4 | Very high | 96 Ų | 96 | 100.4 Ų | 100.4 | 50% | 0.503 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -60.9 | -48.3 | 172 | -179.1 | 61.5 | 0 | 0 | 0 | 110.9 | Q881 L882 S883 S888 M889 | Q881-L885 PolarHBondContact O-N 3.47Å; L882-L885 PolarHBondContact O-N 3.31Å; S883-L885 VanDerWaalsContact C-N 3.33Å; S883-L885 PolarHBondContact O-N 3.13Å; L885-S888 PolarHBondContact O-N 2.98Å; L885-S888 PolarHBondContact O-OG 3.41Å; L885-M889 HydrophobicContact CG-SD 4.38Å; L885-M889 WeakPolarHBondContact O-CG 3.46Å; L885-M889 PolarHBondContact O-N 3.32Å |
| 886 | V | 95.7 | Very high | 93.6 | Very high | 71 Ų | 71 | 101.2 Ų | 101.2 | 43% | 0.43 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.7 | -43.1 | 178 | 171.1 | 0 | 0 | 0 | 0 | 111.7 | L882 S883 S888 M889 I890 | L882-V886 WeakPolarHBondContact O-CG2 3.13Å; L882-V886 PolarHBondContact O-N 2.97Å; S883-V886 PolarHBondContact O-N 2.91Å; V886-S888 VanDerWaalsContact C-N 3.31Å; V886-S888 PolarHBondContact O-N 3.36Å; V886-M889 PolarHBondContact O-N 2.89Å; V886-I890 HydrophobicContact CG1-CD1 3.86Å; V886-I890 WeakPolarHBondContact O-CG1 3.35Å; V886-I890 PolarHBondContact O-N 3.49Å |
| 887 | E | 94.6 | Very high | 93.6 | Very high | 100 Ų | 100 | 98.6 Ų | 98.6 | 47% | 0.467 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -58.4 | -43 | 173.7 | -71.1 | 174.9 | 140 | 0 | 0 | 111.7 | S883 H884 M889 I890 L891 | S883-E887 WeakPolarHBondContact O-CG 3.48Å; S883-E887 PolarHBondContact O-N 3.39Å; H884-E887 IonicContact CE1-OE2 2.79Å; H884-E887 IonicContact CG-OE2 2.68Å; H884-E887 IonicContact ND1-OE2 2.9Å; H884-E887 PolarHBondContact ND1-OE2 3.41Å; H884-E887 PolarHBondContact O-N 3.38Å; E887-M889 PolarHBondContact O-N 3.21Å; E887-I890 PolarHBondContact O-N 3.17Å; E887-L891 WeakPolarHBondContact O-CB 2.92Å; E887-L891 WeakPolarHBondContact O-CG 3.5Å; E887-L891 PolarHBondContact O-N 3.03Å |
| 888 | S | 94 | Very high | 93.5 | Very high | 62 Ų | 62 | 97.5 Ų | 97.5 | 43% | 0.434 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -65.3 | -36.4 | 177.8 | 81.1 | 0 | 0 | 0 | 0 | 113 | H884 L885 V886 L891 S892 | H884-S888 WeakPolarHBondContact O-CB 3.35Å; H884-S888 PolarHBondContact O-N 2.8Å; L885-S888 PolarHBondContact O-N 2.98Å; L885-S888 PolarHBondContact O-OG 3.41Å; V886-S888 VanDerWaalsContact C-N 3.31Å; V886-S888 PolarHBondContact O-N 3.36Å; S888-L891 PolarHBondContact O-N 2.75Å; S888-S892 PolarHBondContact O-N 3.15Å; S888-S892 PolarHBondContact O-OG 3.07Å |
| 889 | M | 95.4 | Very high | 93.1 | Very high | 112 Ų | 112 | 98.1 Ų | 98.1 | 55% | 0.552 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -69.7 | -39 | 175.9 | -72 | 176.3 | 62.3 | 0 | 0 | 112.4 | L885 V886 E887 L891 S892 H893 | L885-M889 HydrophobicContact CG-SD 4.38Å; L885-M889 WeakPolarHBondContact O-CG 3.46Å; L885-M889 PolarHBondContact O-N 3.32Å; V886-M889 PolarHBondContact O-N 2.89Å; E887-M889 PolarHBondContact O-N 3.21Å; M889-L891 VanDerWaalsContact C-N 3.35Å; M889-S892 PolarHBondContact O-N 3.06Å; M889-S892 PolarHBondContact O-OG 2.98Å; M889-S892 VanDerWaalsContact O-OG 3.05Å; M889-H893 VanDerWaalsContact O-CB 3.32Å; M889-H893 WeakPolarHBondContact O-CB 3.08Å; M889-H893 PolarHBondContact O-N 3.32Å |
| 890 | I | 96.3 | Very high | 92.6 | Very high | 103 Ų | 103 | 96.4 Ų | 96.4 | 53% | 0.528 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64.2 | -43.3 | 174.8 | -67.9 | 165.8 | 0 | 0 | 0 | 110 | V886 E887 Q894 | V886-I890 HydrophobicContact CG1-CD1 3.86Å; V886-I890 WeakPolarHBondContact O-CG1 3.35Å; V886-I890 PolarHBondContact O-N 3.49Å; E887-I890 PolarHBondContact O-N 3.17Å; I890-Q894 WeakPolarHBondContact O-CB 3.19Å; I890-Q894 PolarHBondContact O-N 2.95Å |
| 891 | L | 93.5 | Very high | 91.9 | Very high | 94 Ų | 94 | 99.5 Ų | 99.5 | 49% | 0.492 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -68.5 | -33.5 | 178.5 | -71.8 | 169.9 | 0 | 0 | 0 | 113.5 | E887 S888 M889 R895 | E887-L891 WeakPolarHBondContact O-CB 2.92Å; E887-L891 WeakPolarHBondContact O-CG 3.5Å; E887-L891 PolarHBondContact O-N 3.03Å; S888-L891 PolarHBondContact O-N 2.75Å; M889-L891 VanDerWaalsContact C-N 3.35Å; L891-R895 VanDerWaalsContact O-CG 3.31Å; L891-R895 WeakPolarHBondContact O-CG 3.5Å; L891-R895 PolarHBondContact O-N 3.38Å |
| 892 | S | 94.1 | Very high | 91.2 | Very high | 71 Ų | 71 | 99.7 Ų | 99.7 | 50% | 0.497 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -73.4 | -42.8 | 174.6 | 66.1 | 0 | 0 | 0 | 0 | 111.7 | S888 M889 R895 Q896 | S888-S892 PolarHBondContact O-N 3.15Å; S888-S892 PolarHBondContact O-OG 3.07Å; M889-S892 PolarHBondContact O-N 3.06Å; M889-S892 PolarHBondContact O-OG 2.98Å; M889-S892 VanDerWaalsContact O-OG 3.05Å; S892-R895 PolarHBondContact O-N 3.47Å; S892-Q896 PolarHBondContact O-N 2.76Å |
| 893 | H | 94.4 | Very high | 90.2 | Very high | 129 Ų | 129 | 100.1 Ų | 100.1 | 60% | 0.597 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -61.7 | -43.8 | 175.1 | -175.4 | 65.1 | 0 | 0 | 0 | 112 | M889 R895 Q896 C897 | M889-H893 VanDerWaalsContact O-CB 3.32Å; M889-H893 WeakPolarHBondContact O-CB 3.08Å; M889-H893 PolarHBondContact O-N 3.32Å; H893-R895 VanDerWaalsContact C-N 3.3Å; H893-R895 PolarHBondContact O-N 3.29Å; H893-Q896 PolarHBondContact O-N 2.76Å; H893-Q896 VanDerWaalsContact O-N 3.12Å; H893-C897 PolarHBondContact O-N 2.99Å; H893-C897 PolarHBondContact O-SG 3.19Å; H893-C897 VanDerWaalsContact O-SG 3.4Å |
| 894 | Q | 93.5 | Very high | 88.9 | Confident | 120 Ų | 120 | 104.2 Ų | 104.2 | 56% | 0.561 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -56.9 | -42.4 | 174.9 | -178.3 | -179.1 | -13.6 | 0 | 0 | 112.1 | I890 E898 | I890-Q894 WeakPolarHBondContact O-CB 3.19Å; I890-Q894 PolarHBondContact O-N 2.95Å; Q894-E898 PolarHBondContact O-N 3.05Å; Q894-E898 VanDerWaalsContact O-N 3.12Å |
| 895 | R | 93.4 | Very high | 87.6 | Confident | 178 Ų | 178 | 103.8 Ų | 103.8 | 67% | 0.672 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -67.1 | -36.8 | 176.7 | -72.8 | 172.9 | -177.4 | -170.9 | 2.9 | 112.5 | L891 S892 H893 E898 L899 | L891-R895 VanDerWaalsContact O-CG 3.31Å; L891-R895 WeakPolarHBondContact O-CG 3.5Å; L891-R895 PolarHBondContact O-N 3.38Å; S892-R895 PolarHBondContact O-N 3.47Å; H893-R895 VanDerWaalsContact C-N 3.3Å; H893-R895 PolarHBondContact O-N 3.29Å; R895-E898 PolarHBondContact O-N 3.35Å; R895-L899 WeakPolarHBondContact O-CG 3.2Å; R895-L899 PolarHBondContact O-N 3.1Å |
| 896 | Q | 90.7 | Very high | 85.6 | Confident | 97 Ų | 97 | 108.3 Ų | 108.3 | 45% | 0.453 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -63.1 | -49.1 | 175.7 | -172.4 | 58 | 45.6 | 0 | 0 | 110.7 | S892 H893 E898 L899 D900 | S892-Q896 PolarHBondContact O-N 2.76Å; H893-Q896 PolarHBondContact O-N 2.76Å; H893-Q896 VanDerWaalsContact O-N 3.12Å; Q896-E898 PolarHBondContact O-N 2.69Å; Q896-L899 WeakPolarHBondContact O-CB 3.46Å; Q896-L899 PolarHBondContact O-N 2.99Å; Q896-D900 PolarHBondContact NE2-OD1 2.79Å; Q896-D900 PolarHBondContact O-N 3.37Å |
| 897 | C | 89.5 | Confident | 83.2 | Confident | 63 Ų | 63 | 108.8 Ų | 108.8 | 43% | 0.426 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -59.7 | -33.5 | 176.6 | -61 | 0 | 0 | 0 | 0 | 113.2 | H893 Y901 | H893-C897 PolarHBondContact O-N 2.99Å; H893-C897 PolarHBondContact O-SG 3.19Å; H893-C897 VanDerWaalsContact O-SG 3.4Å; C897-Y901 WeakPolarHBondContact O-CB 3.42Å; C897-Y901 PolarHBondContact O-N 2.78Å; C897-Y901 VanDerWaalsContact O-N 3.08Å |
| 898 | E | 87.6 | Confident | 81.1 | Confident | 112 Ų | 112 | 109.3 Ų | 109.3 | 52% | 0.523 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -69.7 | -36.8 | 174.8 | -169.5 | 174 | 177 | 0 | 0 | 112.4 | Q894 R895 Q896 Q902 | Q894-E898 PolarHBondContact O-N 3.05Å; Q894-E898 VanDerWaalsContact O-N 3.12Å; R895-E898 PolarHBondContact O-N 3.35Å; Q896-E898 PolarHBondContact O-N 2.69Å; E898-Q902 WeakPolarHBondContact O-CG 3.43Å; E898-Q902 PolarHBondContact O-N 2.81Å |
| 899 | L | 85.6 | Confident | 78.8 | Confident | 91 Ų | 91 | 114.9 Ų | 114.9 | 48% | 0.476 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -68 | -44.9 | 173.2 | -70.9 | 169.5 | 0 | 0 | 0 | 111.9 | R895 Q896 Y901 Q902 L903 | R895-L899 WeakPolarHBondContact O-CG 3.2Å; R895-L899 PolarHBondContact O-N 3.1Å; Q896-L899 WeakPolarHBondContact O-CB 3.46Å; Q896-L899 PolarHBondContact O-N 2.99Å; L899-Y901 VanDerWaalsContact C-N 3.29Å; L899-Y901 PolarHBondContact O-N 2.76Å; L899-Q902 WeakPolarHBondContact O-CB 3.35Å; L899-Q902 PolarHBondContact O-N 2.7Å; L899-Q902 VanDerWaalsContact O-N 3.1Å; L899-L903 WeakPolarHBondContact O-CG 3.25Å; L899-L903 PolarHBondContact O-N 2.78Å |
| 900 | D | 83.8 | Confident | 76.4 | Confident | 64 Ų | 64 | 114.9 Ų | 114.9 | 34% | 0.342 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -62 | -39.3 | 179 | -59.3 | -30.3 | 0 | 0 | 0 | 111.1 | Q896 L903 Q904 | Q896-D900 PolarHBondContact NE2-OD1 2.79Å; Q896-D900 PolarHBondContact O-N 3.37Å; D900-L903 PolarHBondContact O-N 3.31Å; D900-Q904 WeakPolarHBondContact O-CG 3.42Å; D900-Q904 PolarHBondContact O-N 2.76Å |
| 901 | Y | 76.5 | Confident | 73.7 | Confident | 157 Ų | 157 | 114 Ų | 114 | 62% | 0.616 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -63.5 | -39.3 | 173.9 | -172.9 | -108.3 | 0 | 0 | 0 | 112.5 | C897 L899 I905 | C897-Y901 WeakPolarHBondContact O-CB 3.42Å; C897-Y901 PolarHBondContact O-N 2.78Å; C897-Y901 VanDerWaalsContact O-N 3.08Å; L899-Y901 VanDerWaalsContact C-N 3.29Å; L899-Y901 PolarHBondContact O-N 2.76Å; Y901-I905 HydrophobicContact CD1-CD1 3.96Å; Y901-I905 HydrophobicContact CE1-CD1 3.63Å; Y901-I905 WeakPolarHBondContact O-CG1 3.33Å; Y901-I905 PolarHBondContact O-N 3.45Å |
| 902 | Q | 78.4 | Confident | 71.1 | Confident | 91 Ų | 91 | 115.2 Ų | 115.2 | 43% | 0.425 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -66.5 | -40.8 | 174.1 | -70.8 | 175.8 | 36.8 | 0 | 0 | 111.9 | E898 L899 Q904 I905 Y906 | E898-Q902 WeakPolarHBondContact O-CG 3.43Å; E898-Q902 PolarHBondContact O-N 2.81Å; L899-Q902 WeakPolarHBondContact O-CB 3.35Å; L899-Q902 PolarHBondContact O-N 2.7Å; L899-Q902 VanDerWaalsContact O-N 3.1Å; Q902-Q904 VanDerWaalsContact C-N 3.35Å; Q902-Q904 PolarHBondContact O-N 2.87Å; Q902-I905 PolarHBondContact O-N 2.74Å; Q902-Y906 WeakPolarHBondContact O-CD2 3.27Å; Q902-Y906 PolarHBondContact O-N 3.24Å |
| 903 | L | 74.8 | Confident | 68.5 | Low | 116 Ų | 116 | 118.8 Ų | 118.8 | 61% | 0.607 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -64 | -36.5 | 178 | -71.6 | 170.6 | 0 | 0 | 0 | 112.8 | L899 D900 I905 Y906 S907 | L899-L903 WeakPolarHBondContact O-CG 3.25Å; L899-L903 PolarHBondContact O-N 2.78Å; D900-L903 PolarHBondContact O-N 3.31Å; L903-I905 VanDerWaalsContact C-N 3.35Å; L903-Y906 PolarHBondContact O-N 2.82Å; L903-S907 PolarHBondContact O-N 3.04Å; L903-S907 PolarHBondContact O-OG 2.8Å |
| 904 | Q | 66.3 | Low | 65.5 | Low | 148 Ų | 148 | 118 Ų | 118 | 69% | 0.692 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -64.7 | -36.6 | 173.5 | -71.7 | -176.5 | 18.1 | 0 | 0 | 112.6 | D900 Q902 Y906 | D900-Q904 WeakPolarHBondContact O-CG 3.42Å; D900-Q904 PolarHBondContact O-N 2.76Å; Q902-Q904 VanDerWaalsContact C-N 3.35Å; Q902-Q904 PolarHBondContact O-N 2.87Å; Q904-Y906 VanDerWaalsContact C-N 3.34Å; Q904-Y906 PolarHBondContact O-N 3.28Å |
| 905 | I | 66.6 | Low | 62.7 | Low | 104 Ų | 104 | 115.6 Ų | 115.6 | 53% | 0.533 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -67.7 | -33.4 | 178.3 | -69.3 | 167.8 | 0 | 0 | 0 | 112 | Y901 Q902 L903 | Y901-I905 HydrophobicContact CD1-CD1 3.96Å; Y901-I905 HydrophobicContact CE1-CD1 3.63Å; Y901-I905 WeakPolarHBondContact O-CG1 3.33Å; Y901-I905 PolarHBondContact O-N 3.45Å; Q902-I905 PolarHBondContact O-N 2.74Å; L903-I905 VanDerWaalsContact C-N 3.35Å |
| 906 | Y | 54.1 | Low | 59.8 | Low | 192 Ų | 192 | 113.9 Ų | 113.9 | 75% | 0.753 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.6 | 4.9 | -176.1 | -75.7 | -68.6 | 0 | 0 | 0 | 115.3 | Q902 L903 Q904 P908 | Q902-Y906 WeakPolarHBondContact O-CD2 3.27Å; Q902-Y906 PolarHBondContact O-N 3.24Å; L903-Y906 PolarHBondContact O-N 2.82Å; Q904-Y906 VanDerWaalsContact C-N 3.34Å; Q904-Y906 PolarHBondContact O-N 3.28Å; Y906-P908 VanDerWaalsContact O-CD 3.25Å; Y906-P908 WeakPolarHBondContact O-CD 3.35Å |
| 907 | S | 43.7 | Very low | 57 | Low | 81 Ų | 81 | 113.1 Ų | 113.1 | 57% | 0.566 | 66% | 0.663 | S | S | * | * | S | Bend | trans | -93.1 | 104.5 | 179.5 | -66.4 | 0 | 0 | 0 | 0 | 111.9 | L903 L909 | L903-S907 PolarHBondContact O-N 3.04Å; L903-S907 PolarHBondContact O-OG 2.8Å; S907-L909 PolarHBondContact O-N 3.46Å |
| 908 | P | 50.9 | Low | 54.1 | Low | 110 Ų | 110 | 114 Ų | 114 | 71% | 0.714 | 68% | 0.682 | S | S | * | * | | | trans | -70.9 | 120.9 | -176.3 | 28.2 | -34.7 | 0 | 0 | 0 | 112.3 | Y906 S910 | Y906-P908 VanDerWaalsContact O-CD 3.25Å; Y906-P908 WeakPolarHBondContact O-CD 3.35Å; P908-S910 PolarHBondContact O-N 2.85Å; P908-S910 PolarHBondContact O-OG 3.31Å |
| 909 | L | 46.9 | Very low | 51.5 | Low | 180 Ų | 180 | 111.5 Ų | 111.5 | 94% | 0.942 | 69% | 0.687 | S | S | * | * | | | trans | -53.5 | 96.6 | 179 | -73 | 164.6 | 0 | 0 | 0 | 112.6 | S907 A911 | S907-L909 PolarHBondContact O-N 3.46Å; L909-A911 PolarHBondContact O-N 2.95Å |
| 910 | S | 44.7 | Very low | 49 | Very low | 112 Ų | 112 | 113.8 Ų | 113.8 | 78% | 0.783 | 70% | 0.7 | S | S | * | * | | | trans | -86.7 | 91.2 | 179.9 | -65.1 | 0 | 0 | 0 | 0 | 110.3 | P908 | P908-S910 PolarHBondContact O-N 2.85Å; P908-S910 PolarHBondContact O-OG 3.31Å |
| 911 | A | 38.1 | Very low | 46.4 | Very low | 85 Ų | 85 | 120.5 Ų | 120.5 | 70% | 0.702 | 73% | 0.726 | S | S | * | * | | | trans | -65.2 | 136.3 | -180 | 0 | 0 | 0 | 0 | 0 | 112 | L909 | L909-A911 PolarHBondContact O-N 2.95Š|
| 912 | P | 40.1 | Very low | 44.3 | Very low | 119 Ų | 119 | 120.5 Ų | 120.5 | 77% | 0.773 | 73% | 0.732 | S | S | * | * | | | trans | -73.3 | 130.8 | -172.7 | 28.3 | -34.9 | 0 | 0 | 0 | 112.9 | C914 | P912-C914 PolarHBondContact O-N 2.86Š|
| 913 | V | 39.3 | Very low | 41.8 | Very low | 145 Ų | 145 | 127 Ų | 127 | 88% | 0.879 | 75% | 0.752 | S | S | * | * | | | trans | -86.6 | 90.6 | 179.7 | -177.7 | 0 | 0 | 0 | 0 | 110.6 | | |
| 914 | C | 30.2 | Very low | 39.7 | Very low | 114 Ų | 114 | 132.1 Ų | 132.1 | 77% | 0.77 | 77% | 0.77 | S | S | * | * | | | trans | -101.5 | 85.5 | 170.2 | -65.8 | 0 | 0 | 0 | 0 | 111.3 | P912 V916 | P912-C914 PolarHBondContact O-N 2.86Å; C914-V916 WeakPolarHBondContact O-CG2 3.29Å |
| 915 | G | 34.9 | Very low | 37.8 | Very low | 68 Ų | 68 | 133.9 Ų | 133.9 | 70% | 0.701 | 78% | 0.775 | S | S | * | * | | | trans | -107.2 | 117.2 | 156.9 | 0 | 0 | 0 | 0 | 0 | 108.1 | | |
| 916 | V | 33.8 | Very low | 36.1 | Very low | 143 Ų | 143 | 136.3 Ų | 136.3 | 87% | 0.867 | 79% | 0.788 | S | S | * | * | | | cis | 75.2 | 116.5 | 43.6 | -175 | 0 | 0 | 0 | 0 | 112.8 | C914 | C914-V916 WeakPolarHBondContact O-CG2 3.29Š|
| 917 | G | 30.7 | Very low | 35.2 | Very low | 80 Ų | 80 | 132.5 Ų | 132.5 | 83% | 0.825 | 79% | 0.787 | S | S | * | * | | | trans | 88.2 | 123.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 918 | G | 28.9 | Very low | 34.9 | Very low | 81 Ų | 81 | 134.2 Ų | 134.2 | 84% | 0.835 | 80% | 0.796 | S | S | * | * | | | cis | 121.1 | 98.8 | 9.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | | |
| 919 | G | 32.7 | Very low | 33.8 | Very low | 61 Ų | 61 | 137 Ų | 137 | 63% | 0.629 | 80% | 0.804 | S | S | * | * | | | trans | -162 | 61.2 | -166.1 | 0 | 0 | 0 | 0 | 0 | 113 | F921 | G919-F921 VanDerWaalsContact C-N 3.32Å; G919-F921 PolarHBondContact O-N 3.11Å |
| 920 | D | 33.2 | Very low | 32.8 | Very low | 139 Ų | 139 | 134 Ų | 134 | 74% | 0.743 | 80% | 0.799 | S | S | * | * | | | trans | -68 | 76.9 | -176.3 | -66.4 | -74.7 | 0 | 0 | 0 | 114.1 | H922 | D920-H922 VanDerWaalsContact C-N 3.32Å; D920-H922 PolarHBondContact O-N 3.45Å |
| 921 | F | 30.3 | Very low | 32.1 | Very low | 205 Ų | 205 | 133.9 Ų | 133.9 | 90% | 0.899 | 80% | 0.798 | S | S | * | * | | | trans | -79.2 | 82.5 | 165 | -88.4 | -81.3 | 0 | 0 | 0 | 111 | G919 | G919-F921 VanDerWaalsContact C-N 3.32Å; G919-F921 PolarHBondContact O-N 3.11Å |
| 922 | H | 30.9 | Very low | 31.6 | Very low | 156 Ų | 156 | 134.5 Ų | 134.5 | 72% | 0.722 | 80% | 0.797 | S | S | * | * | | | trans | -58.6 | 144.9 | 173.9 | -76.8 | -52.5 | 0 | 0 | 0 | 113.6 | D920 | D920-H922 VanDerWaalsContact C-N 3.32Å; D920-H922 PolarHBondContact O-N 3.45Å |
| 923 | R | 26.1 | Very low | 31 | Very low | 229 Ų | 229 | 133.9 Ų | 133.9 | 86% | 0.864 | 80% | 0.795 | S | S | * | * | | | trans | 58.7 | 106.2 | 161.3 | -62 | 174.8 | 179.1 | -170.6 | 0.8 | 116.7 | | |
| 924 | F | 30.6 | Very low | 30.2 | Very low | 222 Ų | 222 | 132.6 Ų | 132.6 | 97% | 0.974 | 79% | 0.793 | S | S | * | * | | | | -145.1 | 158.3 | 112 | -100 | -72.6 | 0 | 0 | 0 | 110.1 | | |
| 925 | K | 27.6 | Very low | 30.1 | Very low | 185 Ų | 185 | 133.1 Ų | 133.1 | 80% | 0.804 | 80% | 0.798 | S | S | * | * | | | trans | -108 | 131.3 | -176.2 | -77.9 | -175.3 | 175.2 | -175.7 | 0 | 111.2 | | |
| 926 | I | 29.9 | Very low | 29.6 | Very low | 156 Ų | 156 | 135.3 Ų | 135.3 | 80% | 0.8 | 80% | 0.803 | S | S | * | * | | | trans | 71.6 | 149 | 144 | -65.8 | 171.2 | 0 | 0 | 0 | 115.3 | | |
| 927 | P | 35.4 | Very low | 29.9 | Very low | 112 Ų | 112 | 134.1 Ų | 134.1 | 73% | 0.727 | 80% | 0.798 | S | S | * | * | | | trans | -110.9 | -161.1 | -158.5 | 41.5 | -28.8 | 0 | 0 | 0 | 112.9 | | |
| 928 | P | 37.9 | Very low | 29.8 | Very low | 116 Ų | 116 | 140.5 Ų | 140.5 | 75% | 0.753 | 80% | 0.803 | S | S | * | * | | | | -105.7 | 150.1 | -78.7 | 36.2 | -25.9 | 0 | 0 | 0 | 111.7 | | |
| 929 | N | 27.7 | Very low | 29.8 | Very low | 168 Ų | 168 | 140 Ų | 140 | 90% | 0.898 | 80% | 0.798 | S | S | * | * | | | trans | -77.1 | 137.7 | 177.6 | -83.4 | -18.6 | 0 | 0 | 0 | 112.8 | | |
| 930 | S | 25.1 | Very low | 29.6 | Very low | 119 Ų | 119 | 145.3 Ų | 145.3 | 83% | 0.832 | 81% | 0.811 | S | S | * | * | | | trans | -90.6 | 119.3 | 172.5 | 55 | 0 | 0 | 0 | 0 | 112.3 | | |
| 931 | S | 31.5 | Very low | 29.5 | Very low | 108 Ų | 108 | 145.7 Ų | 145.7 | 76% | 0.755 | 81% | 0.813 | S | S | * | * | | | trans | -169.4 | 151.7 | 164.4 | 43 | 0 | 0 | 0 | 0 | 109.6 | | |
| 932 | S | 26.6 | Very low | 29.5 | Very low | 99 Ų | 99 | 143.3 Ų | 143.3 | 69% | 0.692 | 81% | 0.81 | S | S | * | * | | | cis | -174.4 | -178.9 | -20.8 | 53.4 | 0 | 0 | 0 | 0 | 107.5 | | |
| 933 | S | 26.8 | Very low | 29.5 | Very low | 105 Ų | 105 | 143 Ų | 143 | 73% | 0.734 | 81% | 0.813 | S | S | * | * | | | trans | 56.7 | 95 | 154.3 | 48.5 | 0 | 0 | 0 | 0 | 118.1 | | |
| 934 | S | 22.9 | Very low | 29.8 | Very low | 118 Ų | 118 | 140.8 Ų | 140.8 | 83% | 0.825 | 81% | 0.813 | S | S | * | * | | | trans | -51.7 | 152.5 | 154.8 | 46.9 | 0 | 0 | 0 | 0 | 114.7 | | |
| 935 | S | 28.6 | Very low | 29.5 | Very low | 125 Ų | 125 | 136.3 Ų | 136.3 | 87% | 0.874 | 81% | 0.808 | S | S | * | * | | | | -165.6 | 142 | 126.8 | 31.4 | 0 | 0 | 0 | 0 | 110.2 | | |
| 936 | S | 25.5 | Very low | 29.5 | Very low | 115 Ų | 115 | 132.4 Ų | 132.4 | 80% | 0.804 | 80% | 0.804 | S | S | * | * | | | trans | -121.1 | -173.4 | -175.4 | 68.9 | 0 | 0 | 0 | 0 | 109.8 | | |
| 937 | P | 38.5 | Very low | 29.4 | Very low | 117 Ų | 117 | 131.7 Ų | 131.7 | 76% | 0.76 | 81% | 0.807 | S | S | * | * | | | | -106.1 | 165.5 | -117.2 | 8.6 | 14.7 | 0 | 0 | 0 | 113.9 | G939 | P937-G939 PolarHBondContact O-N 3.48Š|
| 938 | F | 30 | Very low | 29.1 | Very low | 214 Ų | 214 | 133 Ų | 133 | 94% | 0.939 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 133 | 160.8 | -98.6 | -93.5 | 0 | 0 | 0 | 110.3 | | |
| 939 | G | 28.1 | Very low | 28.9 | Very low | 71 Ų | 71 | 136.3 Ų | 136.3 | 73% | 0.732 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -74.7 | 160.8 | -170 | 0 | 0 | 0 | 0 | 0 | 115.2 | P937 | P937-G939 PolarHBondContact O-N 3.48Š|
| 940 | L | 29.2 | Very low | 28.8 | Very low | 172 Ų | 172 | 135.1 Ų | 135.1 | 90% | 0.901 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -68.4 | 144.1 | 172.4 | -61.2 | 165.4 | 0 | 0 | 0 | 110.9 | | |
| 941 | N | 29.6 | Very low | 29 | Very low | 148 Ų | 148 | 136.8 Ų | 136.8 | 79% | 0.791 | 79% | 0.79 | S | S | * | * | | | trans | -162.8 | 104 | 160.9 | -104.3 | -31.3 | 0 | 0 | 0 | 110.3 | | |
| 942 | N | 30.4 | Very low | 29 | Very low | 154 Ų | 154 | 139.7 Ų | 139.7 | 82% | 0.824 | 80% | 0.797 | S | S | * | * | | | trans | -176.3 | 91.9 | 149.3 | -104.3 | -19.6 | 0 | 0 | 0 | 109.7 | Q944 | N942-Q944 PolarHBondContact O-N 3.23Š|
| 943 | D | 32.6 | Very low | 29 | Very low | 149 Ų | 149 | 142.8 Ų | 142.8 | 80% | 0.797 | 80% | 0.802 | S | S | * | * | | | trans | -70.2 | 118.7 | 165.5 | -64.7 | -67.7 | 0 | 0 | 0 | 109.9 | | |
| 944 | Q | 32.6 | Very low | 29.5 | Very low | 183 Ų | 183 | 143 Ų | 143 | 86% | 0.855 | 80% | 0.801 | S | S | * | * | | | trans | -129 | 85.6 | 161.6 | -75 | -162.2 | -1.4 | 0 | 0 | 110.4 | N942 S946 | N942-Q944 PolarHBondContact O-N 3.23Å; Q944-S946 PolarHBondContact O-N 3.38Å |
| 945 | C | 22.7 | Very low | 29.7 | Very low | 129 Ų | 129 | 141.8 Ų | 141.8 | 87% | 0.872 | 80% | 0.798 | S | S | * | * | | | trans | -66.5 | 119.4 | 164.7 | -62.7 | 0 | 0 | 0 | 0 | 110.3 | | |
| 946 | S | 29 | Very low | 29.8 | Very low | 102 Ų | 102 | 142.1 Ų | 142.1 | 71% | 0.713 | 79% | 0.79 | S | S | * | * | | | trans | -161.2 | 94.8 | 146.1 | -164.9 | 0 | 0 | 0 | 0 | 113 | Q944 H948 | Q944-S946 PolarHBondContact O-N 3.38Å; S946-H948 VanDerWaalsContact C-N 3.34Å; S946-H948 PolarHBondContact O-N 2.95Å |
| 947 | T | 26.3 | Very low | 30.1 | Very low | 142 Ų | 142 | 142.9 Ų | 142.9 | 87% | 0.871 | 79% | 0.792 | S | S | * | * | | | trans | -82.9 | 79.1 | 160.9 | -56.8 | 0 | 0 | 0 | 0 | 109.1 | | |
| 948 | H | 29.2 | Very low | 29.6 | Very low | 140 Ų | 140 | 139.9 Ų | 139.9 | 65% | 0.648 | 78% | 0.783 | S | S | * | * | | | trans | -166 | 99.8 | 164.4 | -94.7 | -64.7 | 0 | 0 | 0 | 112.1 | S946 | S946-H948 VanDerWaalsContact C-N 3.34Å; S946-H948 PolarHBondContact O-N 2.95Å |
| 949 | H | 33.9 | Very low | 29.6 | Very low | 185 Ų | 185 | 135.1 Ų | 135.1 | 86% | 0.856 | 78% | 0.776 | S | S | * | * | | | | -163 | 127.2 | 119.9 | -109 | 72.4 | 0 | 0 | 0 | 114.1 | | |
| 950 | F | 25.8 | Very low | 29.5 | Very low | 142 Ų | 142 | 139.5 Ų | 139.5 | 62% | 0.623 | 78% | 0.782 | S | S | * | * | | | trans | -47.5 | 158.3 | 178.3 | -76.8 | -86.7 | 0 | 0 | 0 | 119.6 | | |
| 951 | H | 30.2 | Very low | 29.7 | Very low | 155 Ų | 155 | 136.9 Ų | 136.9 | 72% | 0.718 | 78% | 0.775 | S | S | * | * | | | trans | 61.6 | 95.1 | 147.4 | -61.7 | -46.5 | 0 | 0 | 0 | 119.5 | | |
| 952 | N | 31.5 | Very low | 29.7 | Very low | 169 Ų | 169 | 136.1 Ų | 136.1 | 90% | 0.904 | 78% | 0.775 | S | S | * | * | | | | -156.8 | 94.9 | 107.9 | -99 | -23.9 | 0 | 0 | 0 | 112.2 | | |
| 953 | M | 26 | Very low | 29.5 | Very low | 164 Ų | 164 | 135.1 Ų | 135.1 | 81% | 0.808 | 77% | 0.768 | S | S | * | * | | | trans | -85.9 | 160.2 | 145.9 | -90 | -76.1 | -170.9 | 0 | 0 | 107.5 | | |
| 954 | P | 37.4 | Very low | 29.5 | Very low | 109 Ų | 109 | 134.2 Ų | 134.2 | 71% | 0.708 | 77% | 0.77 | S | S | * | * | | | cis | -124.9 | 160.8 | 16.4 | 40.8 | -27.9 | 0 | 0 | 0 | 115.5 | | |
| 955 | A | 27 | Very low | 29.5 | Very low | 92 Ų | 92 | 130.2 Ų | 130.2 | 76% | 0.76 | 76% | 0.758 | S | S | * | * | | | trans | -73.4 | 128.6 | 145.9 | 0 | 0 | 0 | 0 | 0 | 108.7 | | |
| 956 | N | 29.6 | Very low | 29.6 | Very low | 133 Ų | 133 | 130.1 Ų | 130.1 | 71% | 0.711 | 75% | 0.749 | S | S | * | * | | | trans | -137.3 | 112.9 | 155.7 | -171.7 | -4.8 | 0 | 0 | 0 | 108.5 | G958 | N956-G958 PolarHBondContact O-N 3.47Š|
| 957 | P | 31.4 | Very low | 29.5 | Very low | 130 Ų | 130 | 131.3 Ų | 131.3 | 84% | 0.844 | 75% | 0.745 | S | S | * | * | | | trans | -74.5 | 59.3 | 175.2 | 32.9 | -35.2 | 0 | 0 | 0 | 111.4 | S959 | P957-S959 PolarHBondContact O-N 3.39Š|
| 958 | G | 28.5 | Very low | 29.8 | Very low | 55 Ų | 55 | 129.3 Ų | 129.3 | 57% | 0.567 | 74% | 0.736 | S | S | * | * | | | trans | -89.8 | 85.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | N956 | N956-G958 PolarHBondContact O-N 3.47Š|
| 959 | S | 30.3 | Very low | 29.7 | Very low | 114 Ų | 114 | 127.5 Ų | 127.5 | 80% | 0.797 | 74% | 0.74 | S | S | * | * | | | trans | 54.9 | 113.5 | 160.8 | -58 | 0 | 0 | 0 | 0 | 118.4 | P957 | P957-S959 PolarHBondContact O-N 3.39Š|
| 960 | L | 27.3 | Very low | 29.3 | Very low | 163 Ų | 163 | 124.3 Ų | 124.3 | 85% | 0.853 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -50.8 | 134.3 | 154.5 | -69.6 | 167.2 | 0 | 0 | 0 | 109.5 | V962 | L960-V962 PolarHBondContact O-N 3.05Å; L960-V962 VanDerWaalsContact O-N 3.11Å |
| 961 | P | 33.4 | Very low | 29.5 | Very low | 116 Ų | 116 | 126 Ų | 126 | 75% | 0.753 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 116.4 | 180 | 25.6 | -33.3 | 0 | 0 | 0 | 110.2 | M963 | P961-M963 PolarHBondContact O-N 3.21Å; P961-M963 VanDerWaalsContact O-N 3.14Å |
| 962 | V | 29.3 | Very low | 29.5 | Very low | 132 Ų | 132 | 125.4 Ų | 125.4 | 80% | 0.8 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -60.8 | 118.1 | 176.5 | 172.4 | 0 | 0 | 0 | 0 | 109.3 | L960 | L960-V962 PolarHBondContact O-N 3.05Å; L960-V962 VanDerWaalsContact O-N 3.11Å |
| 963 | M | 26.6 | Very low | 29.6 | Very low | 134 Ų | 134 | 123.4 Ų | 123.4 | 66% | 0.66 | 73% | 0.731 | S | S | * | * | | | trans | 59.9 | 117.7 | 175 | -64.9 | 174.3 | 61.6 | 0 | 0 | 116.2 | P961 T965 | P961-M963 PolarHBondContact O-N 3.21Å; P961-M963 VanDerWaalsContact O-N 3.14Å; M963-T965 PolarHBondContact O-N 2.81Å |
| 964 | P | 31.9 | Very low | 29.6 | Very low | 129 Ų | 129 | 121.1 Ų | 121.1 | 84% | 0.838 | 73% | 0.729 | S | S | * | * | | | trans | -53.6 | 96.9 | 136.5 | 26.4 | -34.7 | 0 | 0 | 0 | 108.6 | N966 | P964-N966 PolarHBondContact O-N 3.24Š|
| 965 | T | 31.3 | Very low | 29.1 | Very low | 100 Ų | 100 | 121.4 Ų | 121.4 | 61% | 0.613 | 73% | 0.732 | S | S | * | * | | | trans | -60.5 | 123.6 | 175.8 | -67.2 | 0 | 0 | 0 | 0 | 108.2 | M963 M967 | M963-T965 PolarHBondContact O-N 2.81Å; T965-M967 HydrophobicContact CG2-CB 4.22Å; T965-M967 HydrophobicContact CG2-CG 3.88Å; T965-M967 PolarHBondContact O-N 3.07Å |
| 966 | N | 25.8 | Very low | 29.3 | Very low | 127 Ų | 127 | 124 Ų | 124 | 68% | 0.679 | 74% | 0.738 | S | S | * | * | S | Bend | trans | -67.2 | 81.6 | 178.6 | -174.4 | -3.8 | 0 | 0 | 0 | 110.7 | P964 | P964-N966 PolarHBondContact O-N 3.24Š|
| 967 | M | 27.1 | Very low | 29.4 | Very low | 127 Ų | 127 | 122.3 Ų | 122.3 | 63% | 0.626 | 74% | 0.743 | S | S | * | * | | | trans | -136.9 | 38.2 | -177.8 | -90.4 | -89 | 70.9 | 0 | 0 | 111.5 | T965 | T965-M967 HydrophobicContact CG2-CB 4.22Å; T965-M967 HydrophobicContact CG2-CG 3.88Å; T965-M967 PolarHBondContact O-N 3.07Å |
| 968 | S | 33.2 | Very low | 29.3 | Very low | 100 Ų | 100 | 124.7 Ų | 124.7 | 70% | 0.699 | 74% | 0.743 | S | S | * | * | | | trans | -107.8 | 25 | 169.7 | 52.4 | 0 | 0 | 0 | 0 | 113.3 | C970 | S968-C970 PolarHBondContact O-N 3.24Š|
| 969 | S | 27.1 | Very low | 29.4 | Very low | 102 Ų | 102 | 128.6 Ų | 128.6 | 71% | 0.713 | 75% | 0.751 | S | S | * | * | | | trans | -69.9 | 73.1 | 150.5 | -171.7 | 0 | 0 | 0 | 0 | 108.9 | R971 | S969-R971 PolarHBondContact O-N 3.17Š|
| 970 | C | 25.7 | Very low | 29.4 | Very low | 117 Ų | 117 | 129.8 Ų | 129.8 | 79% | 0.791 | 75% | 0.747 | S | S | * | * | | | trans | -73.4 | 75 | 171.7 | -83.4 | 0 | 0 | 0 | 0 | 110 | S968 | S968-C970 PolarHBondContact O-N 3.24Š|
| 971 | R | 29 | Very low | 29.4 | Very low | 179 Ų | 179 | 126.9 Ų | 126.9 | 68% | 0.675 | 74% | 0.736 | S | S | * | * | | | | 62 | 89.9 | 124.1 | -164 | 176.6 | -172.8 | -157.8 | 13 | 114.3 | S969 H973 | S969-R971 PolarHBondContact O-N 3.17Å; R971-H973 VanDerWaalsContact C-N 3.31Å; R971-H973 VanDerWaalsContact CD-NE2 3.29Å; R971-H973 WeakPolarHBondContact CD-NE2 3.44Å; R971-H973 VanDerWaalsContact CZ-CE1 3.49Å; R971-H973 PolarHBondContact NE-NE2 2.85Å; R971-H973 PolarHBondContact NH1-CE1 2.71Å; R971-H973 VanDerWaalsContact NH1-CE1 3.3Å; R971-H973 PolarHBondContact NH1-NE2 2.79Å; R971-H973 PolarHBondContact O-N 3.37Å |
| 972 | T | 29.6 | Very low | 29.3 | Very low | 142 Ų | 142 | 133.5 Ų | 133.5 | 87% | 0.871 | 75% | 0.746 | S | S | * | * | | | trans | -50.6 | 95.8 | 153.3 | 48.3 | 0 | 0 | 0 | 0 | 109.7 | P974 | T972-P974 WeakPolarHBondContact O-CD 2.92Š|
| 973 | H | 33.5 | Very low | 29.4 | Very low | 127 Ų | 127 | 138 Ų | 138 | 59% | 0.588 | 75% | 0.748 | S | S | * | * | | | trans | -79 | 121.3 | 174.2 | -98.8 | -90.5 | 0 | 0 | 0 | 109.3 | R971 C975 | R971-H973 VanDerWaalsContact C-N 3.31Å; R971-H973 VanDerWaalsContact CD-NE2 3.29Å; R971-H973 WeakPolarHBondContact CD-NE2 3.44Å; R971-H973 VanDerWaalsContact CZ-CE1 3.49Å; R971-H973 PolarHBondContact NE-NE2 2.85Å; R971-H973 PolarHBondContact NH1-CE1 2.71Å; R971-H973 VanDerWaalsContact NH1-CE1 3.3Å; R971-H973 PolarHBondContact NH1-NE2 2.79Å; R971-H973 PolarHBondContact O-N 3.37Å; H973-C975 PolarHBondContact O-N 3.23Å |
| 974 | P | 26.9 | Very low | 29.7 | Very low | 116 Ų | 116 | 137.9 Ų | 137.9 | 75% | 0.753 | 76% | 0.755 | S | S | * | * | | | trans | -73 | 119.6 | 159 | 30.8 | -30.1 | 0 | 0 | 0 | 108.2 | T972 | T972-P974 WeakPolarHBondContact O-CD 2.92Š|
| 975 | C | 25.9 | Very low | 29.5 | Very low | 115 Ų | 115 | 138.1 Ų | 138.1 | 78% | 0.777 | 75% | 0.754 | S | S | * | * | | | trans | -164.1 | 110.3 | 148 | -110.8 | 0 | 0 | 0 | 0 | 110.3 | H973 A977 | H973-C975 PolarHBondContact O-N 3.23Å; C975-A977 PolarHBondContact O-N 2.67Å |
| 976 | T | 31.1 | Very low | 29.3 | Very low | 146 Ų | 146 | 141.6 Ų | 141.6 | 90% | 0.896 | 76% | 0.764 | S | S | * | * | | | trans | -17.5 | 102.4 | 159.2 | 46.9 | 0 | 0 | 0 | 0 | 116.3 | | |
| 977 | A | 31.8 | Very low | 29.6 | Very low | 98 Ų | 98 | 141.1 Ų | 141.1 | 81% | 0.81 | 77% | 0.767 | S | S | * | * | | | trans | -135.7 | 80 | 163.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | C975 | C975-A977 PolarHBondContact O-N 2.67Š|
| 978 | Q | 30.6 | Very low | 29.8 | Very low | 180 Ų | 180 | 142 Ų | 142 | 84% | 0.841 | 77% | 0.774 | S | S | * | * | | | trans | -80.5 | 115 | 172.4 | -69.1 | 177.4 | -14.4 | 0 | 0 | 109.6 | | |
| 979 | N | 30.5 | Very low | 29.5 | Very low | 136 Ų | 136 | 144.8 Ų | 144.8 | 73% | 0.727 | 78% | 0.78 | S | S | * | * | | | | -177.2 | 123.2 | 119.4 | -100.8 | -54.9 | 0 | 0 | 0 | 115 | | |
| 980 | I | 30.8 | Very low | 29.4 | Very low | 139 Ų | 139 | 147.4 Ų | 147.4 | 71% | 0.713 | 78% | 0.783 | S | S | * | * | | | | 49.8 | 98.6 | 128 | -63.5 | -179.1 | 0 | 0 | 0 | 117.8 | | |
| 981 | T | 27.7 | Very low | 29.7 | Very low | 103 Ų | 103 | 147.5 Ų | 147.5 | 63% | 0.632 | 79% | 0.785 | S | S | * | * | | | | 68.8 | 104.9 | 127.6 | -51.1 | 0 | 0 | 0 | 0 | 119.7 | R983 | T981-R983 HydrophobicContact CG2-CG 4.25Š|
| 982 | R | 31.3 | Very low | 29.6 | Very low | 254 Ų | 254 | 146 Ų | 146 | 96% | 0.958 | 80% | 0.796 | S | S | * | * | | | | -125.6 | 105.1 | 126 | -71.2 | -166.9 | 176.7 | -162.3 | -1.4 | 110.5 | | |
| 983 | R | 29.6 | Very low | 29.6 | Very low | 226 Ų | 226 | 150 Ų | 150 | 85% | 0.853 | 80% | 0.795 | S | S | * | * | | | trans | -68.8 | 136.3 | 159 | -57.3 | 173.6 | -178.2 | 176 | -1 | 107.6 | T981 | T981-R983 HydrophobicContact CG2-CG 4.25Š|
| 984 | V | 33.6 | Very low | 29.3 | Very low | 133 Ų | 133 | 153.2 Ų | 153.2 | 81% | 0.806 | 81% | 0.808 | S | S | * | * | | | | -157.1 | 111.9 | 124.9 | -177.6 | 0 | 0 | 0 | 0 | 107.9 | | |
| 985 | T | 27.6 | Very low | 29.6 | Very low | 133 Ų | 133 | 159 Ų | 159 | 82% | 0.816 | 82% | 0.816 | S | S | * | * | | | trans | -139.7 | 129.2 | 157.4 | -3.1 | 0 | 0 | 0 | 0 | 108 | | |
| 986 | Q | 26.8 | Very low | 29.5 | Very low | 174 Ų | 174 | 156.5 Ų | 156.5 | 81% | 0.813 | 81% | 0.809 | S | S | * | * | | | trans | 58.7 | 104.5 | 175.6 | -58.8 | -173.3 | -3.9 | 0 | 0 | 116.8 | N988 | Q986-N988 PolarHBondContact O-N 2.74Š|
| 987 | P | 33.5 | Very low | 29.9 | Very low | 116 Ų | 116 | 155.5 Ų | 155.5 | 75% | 0.753 | 81% | 0.805 | S | S | * | * | | | trans | -63.5 | 120.6 | 154.1 | -11.4 | 27.4 | 0 | 0 | 0 | 108.7 | I989 | P987-I989 PolarHBondContact O-N 2.79Š|
| 988 | N | 30 | Very low | 29.8 | Very low | 145 Ų | 145 | 156.8 Ų | 156.8 | 78% | 0.775 | 81% | 0.807 | S | S | * | * | | | trans | -76.9 | 116.3 | 178.6 | -170.9 | 1.1 | 0 | 0 | 0 | 110.3 | Q986 M990 | Q986-N988 PolarHBondContact O-N 2.74Å; N988-M990 PolarHBondContact O-N 2.9Å |
| 989 | I | 26.7 | Very low | 29.8 | Very low | 159 Ų | 159 | 154.1 Ų | 154.1 | 82% | 0.815 | 80% | 0.802 | S | S | * | * | | | trans | -89.5 | 88 | -174.9 | -51.8 | 176.7 | 0 | 0 | 0 | 109.9 | P987 | P987-I989 PolarHBondContact O-N 2.79Š|
| 990 | M | 26.6 | Very low | 29.8 | Very low | 157 Ų | 157 | 156.2 Ų | 156.2 | 77% | 0.773 | 81% | 0.805 | S | S | * | * | | | trans | -141 | 96.4 | 167.4 | -76.5 | -160.1 | 74.7 | 0 | 0 | 113 | N988 | N988-M990 PolarHBondContact O-N 2.9Š|
| 991 | S | 30.7 | Very low | 29.9 | Very low | 119 Ų | 119 | 159.2 Ų | 159.2 | 83% | 0.832 | 82% | 0.816 | S | S | * | * | | | | 179.8 | 113.9 | 124.9 | -83 | 0 | 0 | 0 | 0 | 112.3 | R993 | S991-R993 PolarHBondContact O-N 3.22Š|
| 992 | T | 26.8 | Very low | 29.8 | Very low | 147 Ų | 147 | 159.5 Ų | 159.5 | 90% | 0.902 | 82% | 0.818 | S | S | * | * | | | trans | -84.4 | 96.1 | 160.1 | 35.4 | 0 | 0 | 0 | 0 | 109.7 | | |
| 993 | R | 30.5 | Very low | 29.6 | Very low | 227 Ų | 227 | 154.4 Ų | 154.4 | 86% | 0.857 | 81% | 0.807 | S | S | * | * | | | trans | -148.2 | 122.1 | 158.9 | -157 | 162.4 | -68.4 | -152.5 | 1.7 | 114 | S991 | S991-R993 PolarHBondContact O-N 3.22Š|
| 994 | F | 27.2 | Very low | 29.7 | Very low | 195 Ų | 195 | 151.5 Ų | 151.5 | 86% | 0.855 | 80% | 0.803 | S | S | * | * | | | trans | -33.5 | 127.1 | 169.4 | -69.1 | -104 | 0 | 0 | 0 | 116.1 | | |
| 995 | Y | 32.2 | Very low | 29.5 | Very low | 238 Ų | 238 | 150.1 Ų | 150.1 | 93% | 0.933 | 80% | 0.797 | S | S | * | * | | | | -173.9 | 156.4 | 116.4 | -91.2 | -71.1 | 0 | 0 | 0 | 105.4 | | |
| 996 | G | 25.4 | Very low | 29.7 | Very low | 61 Ų | 61 | 150.3 Ų | 150.3 | 63% | 0.629 | 79% | 0.788 | S | S | * | * | | | cis | 152.1 | 124.3 | 12.1 | 0 | 0 | 0 | 0 | 0 | 105.3 | | |
| 997 | P | 39.2 | Very low | 29.8 | Very low | 125 Ų | 125 | 150 Ų | 150 | 81% | 0.812 | 78% | 0.784 | S | S | * | * | | | trans | -95.2 | 145.4 | -150.3 | 34.8 | -36.7 | 0 | 0 | 0 | 116.3 | | |
| 998 | C | 28.9 | Very low | 29.9 | Very low | 125 Ų | 125 | 151.5 Ų | 151.5 | 85% | 0.845 | 78% | 0.784 | S | S | * | * | | | trans | -132.6 | 106.1 | 155.6 | -81.8 | 0 | 0 | 0 | 0 | 108.7 | | |
| 999 | V | 31.5 | Very low | 29.8 | Very low | 124 Ų | 124 | 152.9 Ų | 152.9 | 75% | 0.752 | 79% | 0.786 | S | S | * | * | | | | 92.4 | 99 | 87.1 | 172.8 | 0 | 0 | 0 | 0 | 112.6 | | |
| 1000 | K | 29.3 | Very low | 30.2 | Very low | 180 Ų | 180 | 153.1 Ų | 153.1 | 78% | 0.783 | 78% | 0.784 | S | S | * | * | | | trans | 26.3 | 116.8 | 141.9 | -53.9 | 174.7 | -177.5 | 178 | 0 | 118.5 | | |
| 1001 | Q | 33.2 | Very low | 30.5 | Very low | 203 Ų | 203 | 156.1 Ų | 156.1 | 95% | 0.949 | 79% | 0.786 | S | S | * | * | | | | -124.3 | 147.6 | 121.9 | -84.8 | -170.6 | -13.4 | 0 | 0 | 109.6 | | |
| 1002 | T | 26.2 | Very low | 30.4 | Very low | 108 Ų | 108 | 157.7 Ų | 157.7 | 66% | 0.663 | 78% | 0.784 | S | S | * | * | | | trans | -135 | 162 | -168.2 | 46 | 0 | 0 | 0 | 0 | 110.1 | | |
| 1003 | M | 25.8 | Very low | 30.7 | Very low | 148 Ų | 148 | 156.2 Ų | 156.2 | 73% | 0.729 | 78% | 0.777 | S | S | * | * | | | trans | 77.1 | 113.1 | 176.7 | -46.5 | -74.1 | 85.8 | 0 | 0 | 114.8 | | |
| 1004 | Q | 32.9 | Very low | 30.5 | Very low | 165 Ų | 165 | 152.6 Ų | 152.6 | 77% | 0.771 | 77% | 0.771 | S | S | * | * | | | | -163 | 117.4 | 101 | -93.6 | -62.5 | 18.3 | 0 | 0 | 110.5 | | |
| 1005 | P | 28.8 | Very low | 30.6 | Very low | 104 Ų | 104 | 149.7 Ų | 149.7 | 68% | 0.675 | 76% | 0.764 | S | S | * | * | | | trans | -122.7 | 97.8 | 172.1 | 35.4 | -19.9 | 0 | 0 | 0 | 112.4 | | |
| 1006 | E | 32.7 | Very low | 30.5 | Very low | 136 Ų | 136 | 145.6 Ų | 145.6 | 64% | 0.636 | 76% | 0.759 | S | S | * | * | | | trans | -127.6 | 115.4 | 167.7 | -70.8 | -151.6 | 109.4 | 0 | 0 | 108.8 | | |
| 1007 | K | 28.7 | Very low | 30.6 | Very low | 169 Ų | 169 | 146.6 Ų | 146.6 | 74% | 0.735 | 76% | 0.756 | S | S | * | * | | | | 90.5 | 168.2 | 88.3 | -78.4 | 177.1 | -171.6 | 159.7 | 0 | 112 | | |
| 1008 | I | 34.5 | Very low | 30.1 | Very low | 147 Ų | 147 | 145.9 Ų | 145.9 | 75% | 0.754 | 75% | 0.749 | S | S | * | * | | | trans | 71.8 | 86.4 | -169.5 | -51 | 166.4 | 0 | 0 | 0 | 110 | | |
| 1009 | E | 28.3 | Very low | 30 | Very low | 173 Ų | 173 | 148.8 Ų | 148.8 | 81% | 0.808 | 75% | 0.747 | S | S | * | * | | | | 62.1 | 111.6 | 73.6 | -60.5 | -174 | 155.7 | 0 | 0 | 114.4 | | |
| 1010 | Q | 35.8 | Very low | 29.9 | Very low | 164 Ų | 164 | 153.8 Ų | 153.8 | 77% | 0.766 | 75% | 0.753 | S | S | * | * | | | | -178.4 | 152.1 | 120.3 | -101.3 | 175.8 | 50.3 | 0 | 0 | 113.3 | | |
| 1011 | R | 32 | Very low | 29.8 | Very low | 220 Ų | 220 | 150.3 Ų | 150.3 | 83% | 0.83 | 75% | 0.751 | S | S | * | * | | | trans | 63.3 | 93.4 | 162.3 | -64.2 | 174.3 | -171.9 | -138.3 | -2.8 | 118.5 | | |
| 1012 | I | 28.4 | Very low | 29.8 | Very low | 153 Ų | 153 | 149.1 Ų | 149.1 | 79% | 0.785 | 75% | 0.751 | S | S | * | * | | | trans | -87.8 | 129.4 | 145.3 | -64.6 | 170.9 | 0 | 0 | 0 | 107.1 | M1014 | I1012-M1014 HydrophobicContact CG2-CG 4.06Š|
| 1013 | P | 34 | Very low | 29.7 | Very low | 115 Ų | 115 | 152.4 Ų | 152.4 | 75% | 0.747 | 76% | 0.758 | S | S | * | * | | | | -120.4 | 119.2 | 110.7 | -3.4 | 23.7 | 0 | 0 | 0 | 109.4 | | |
| 1014 | M | 26.5 | Very low | 30.4 | Very low | 151 Ų | 151 | 149.8 Ų | 149.8 | 74% | 0.744 | 75% | 0.752 | S | S | * | * | | | | 42.1 | 111.2 | 91.2 | -75.2 | -160.9 | 62 | 0 | 0 | 112.1 | I1012 | I1012-M1014 HydrophobicContact CG2-CG 4.06Š|
| 1015 | L | 28.4 | Very low | 30.3 | Very low | 135 Ų | 135 | 149.9 Ų | 149.9 | 71% | 0.707 | 75% | 0.752 | S | S | * | * | | | cis | 132.2 | 110.7 | 30.9 | -116.2 | 173.1 | 0 | 0 | 0 | 103.1 | | |
| 1016 | N | 29.7 | Very low | 30.4 | Very low | 152 Ų | 152 | 152 Ų | 152 | 81% | 0.813 | 76% | 0.757 | S | S | * | * | | | trans | -128.4 | 63.2 | 169.3 | -147.9 | -7.1 | 0 | 0 | 0 | 109.8 | T1018 | N1016-T1018 PolarHBondContact OD1-OG1 3.15Š|
| 1017 | S | 27.9 | Very low | 30.1 | Very low | 81 Ų | 81 | 152.4 Ų | 152.4 | 57% | 0.566 | 77% | 0.769 | S | S | * | * | | | trans | -98.2 | 74.6 | 176.2 | 165.8 | 0 | 0 | 0 | 0 | 109.4 | K1019 | S1017-K1019 VanDerWaalsContact C-N 3.34Å; S1017-K1019 PolarHBondContact O-N 3.44Å |
| 1018 | T | 29.8 | Very low | 30.1 | Very low | 110 Ų | 110 | 148.1 Ų | 148.1 | 68% | 0.675 | 77% | 0.772 | S | S | * | * | | | trans | -69.3 | 86 | -179.6 | -57.4 | 0 | 0 | 0 | 0 | 111.6 | N1016 R1020 | N1016-T1018 PolarHBondContact OD1-OG1 3.15Å; T1018-R1020 PolarHBondContact O-N 2.82Å; T1018-R1020 VanDerWaalsContact O-N 3.1Å |
| 1019 | K | 26.2 | Very low | 29.7 | Very low | 186 Ų | 186 | 146.7 Ų | 146.7 | 81% | 0.809 | 78% | 0.775 | S | S | * | * | | | trans | -75.5 | 90 | 168.4 | -75.1 | -174.7 | 176 | -179.4 | 0 | 110.5 | S1017 | S1017-K1019 VanDerWaalsContact C-N 3.34Å; S1017-K1019 PolarHBondContact O-N 3.44Å |
| 1020 | R | 29.9 | Very low | 29.6 | Very low | 229 Ų | 229 | 146.4 Ų | 146.4 | 86% | 0.864 | 78% | 0.776 | S | S | * | * | | | trans | -112.6 | 119.7 | 146.9 | -70.9 | -175.3 | 176 | -171.7 | -1.1 | 105.9 | T1018 | T1018-R1020 PolarHBondContact O-N 2.82Å; T1018-R1020 VanDerWaalsContact O-N 3.1Å |
| 1021 | S | 26.5 | Very low | 29.4 | Very low | 108 Ų | 108 | 143.4 Ų | 143.4 | 76% | 0.755 | 77% | 0.765 | S | S | * | * | | | cis | 64.1 | 76.4 | 27.3 | -166.6 | 0 | 0 | 0 | 0 | 113.8 | | |
| 1022 | L | 33.1 | Very low | 29.2 | Very low | 178 Ų | 178 | 138.9 Ų | 138.9 | 93% | 0.932 | 76% | 0.764 | S | S | * | * | | | | -152.7 | 154.1 | 127.1 | -101 | 159.9 | 0 | 0 | 0 | 107.9 | | |
| 1023 | H | 24 | Very low | 29.2 | Very low | 177 Ų | 177 | 140.4 Ų | 140.4 | 82% | 0.819 | 76% | 0.76 | S | S | * | * | | | trans | -120.4 | -169.1 | -163.4 | -145.2 | -27.9 | 0 | 0 | 0 | 111.8 | | |
| 1024 | P | 40 | Very low | 29.1 | Very low | 92 Ų | 92 | 141.5 Ų | 141.5 | 60% | 0.597 | 77% | 0.765 | S | S | * | * | | | trans | -86 | 172.5 | -131.3 | 41.3 | -29.7 | 0 | 0 | 0 | 114.4 | | |
| 1025 | H | 30.9 | Very low | 29.3 | Very low | 167 Ų | 167 | 140.5 Ų | 140.5 | 77% | 0.773 | 77% | 0.767 | S | S | * | * | | | trans | -166 | 147.2 | 131.6 | -100.2 | -68.3 | 0 | 0 | 0 | 110.8 | | |
| 1026 | L | 31.6 | Very low | 29.2 | Very low | 149 Ų | 149 | 139 Ų | 139 | 78% | 0.78 | 77% | 0.767 | S | S | * | * | | | trans | 46.6 | 112.8 | 151.2 | -57.2 | 168.2 | 0 | 0 | 0 | 117.3 | | |
| 1027 | V | 26.8 | Very low | 29.1 | Very low | 145 Ų | 145 | 139.4 Ų | 139.4 | 88% | 0.879 | 77% | 0.769 | S | S | * | * | | | cis | 49.7 | 104.4 | 38.1 | -170.3 | 0 | 0 | 0 | 0 | 112.8 | | |
| 1028 | G | 28.3 | Very low | 29.3 | Very low | 78 Ų | 78 | 142.2 Ų | 142.2 | 80% | 0.804 | 78% | 0.778 | S | S | * | * | | | trans | 163.2 | 71.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 1029 | S | 25.9 | Very low | 29 | Very low | 118 Ų | 118 | 147.5 Ų | 147.5 | 83% | 0.825 | 79% | 0.785 | S | S | * | * | | | trans | -83.6 | 124.9 | 160.4 | -179.2 | 0 | 0 | 0 | 0 | 108.8 | | |
| 1030 | M | 25.1 | Very low | 29 | Very low | 166 Ų | 166 | 143.4 Ų | 143.4 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | | | trans | 124.7 | 111.9 | 166.7 | -72.9 | 163.4 | 52.1 | 0 | 0 | 113.2 | | |
| 1031 | D | 31.7 | Very low | 29.1 | Very low | 102 Ų | 102 | 137.9 Ų | 137.9 | 55% | 0.545 | 78% | 0.783 | S | S | . | * | | | | -159.8 | 95.4 | 119.9 | -134.4 | -5.3 | 0 | 0 | 0 | 111.8 | R1033 | D1031-R1033 HydrophobicContact CB-CB 4.46Å; D1031-R1033 PolarHBondContact O-N 3.11Å; D1031-R1033 VanDerWaalsContact OD1-CD 3.26Å; D1031-R1033 WeakPolarHBondContact OD1-CD 3.49Å; D1031-R1033 VanDerWaalsContact OD1-CG 3.23Å; D1031-R1033 WeakPolarHBondContact OD1-CG 3.43Å; D1031-R1033 IonicContact OD1-CZ 3.62Å; D1031-R1033 IonicContact OD1-NE 3.49Å; D1031-R1033 PolarHBondContact OD1-NE 2.93Å; D1031-R1033 IonicContact OD1-NH1 3.36Å; D1031-R1033 PolarHBondContact OD1-NH1 3.26Å; D1031-R1033 WeakPolarHBondContact OD2-CD 3.12Å; D1031-R1033 IonicContact OD2-CZ 3.86Å; D1031-R1033 IonicContact OD2-NE 4Å; D1031-R1033 IonicContact OD2-NH1 2.98Å; D1031-R1033 PolarHBondContact OD2-NH1 3.15Å |
| 1032 | P | 29.1 | Very low | 29.2 | Very low | 124 Ų | 124 | 141.4 Ų | 141.4 | 81% | 0.805 | 79% | 0.787 | S | S | * | * | | | trans | -75.4 | 74.6 | 164.1 | 32 | -32.3 | 0 | 0 | 0 | 109.4 | | |
| 1033 | R | 28.7 | Very low | 29.2 | Very low | 185 Ų | 185 | 138.2 Ų | 138.2 | 70% | 0.698 | 78% | 0.777 | S | S | * | * | | | trans | -130.4 | 62.9 | -176.4 | -82.7 | -166.4 | -176.3 | 140.5 | -10.8 | 114.4 | D1031 | D1031-R1033 HydrophobicContact CB-CB 4.46Å; D1031-R1033 PolarHBondContact O-N 3.11Å; D1031-R1033 VanDerWaalsContact OD1-CD 3.26Å; D1031-R1033 WeakPolarHBondContact OD1-CD 3.49Å; D1031-R1033 VanDerWaalsContact OD1-CG 3.23Å; D1031-R1033 WeakPolarHBondContact OD1-CG 3.43Å; D1031-R1033 IonicContact OD1-CZ 3.62Å; D1031-R1033 IonicContact OD1-NE 3.49Å; D1031-R1033 PolarHBondContact OD1-NE 2.93Å; D1031-R1033 IonicContact OD1-NH1 3.36Å; D1031-R1033 PolarHBondContact OD1-NH1 3.26Å; D1031-R1033 WeakPolarHBondContact OD2-CD 3.12Å; D1031-R1033 IonicContact OD2-CZ 3.86Å; D1031-R1033 IonicContact OD2-NE 4Å; D1031-R1033 IonicContact OD2-NH1 2.98Å; D1031-R1033 PolarHBondContact OD2-NH1 3.15Å |
| 1034 | T | 31.5 | Very low | 29.5 | Very low | 139 Ų | 139 | 140.7 Ų | 140.7 | 85% | 0.853 | 78% | 0.779 | S | S | * | * | | | trans | -118.3 | 88.8 | 148.3 | 39.3 | 0 | 0 | 0 | 0 | 106.5 | | |
| 1035 | V | 29.9 | Very low | 29 | Very low | 130 Ų | 130 | 143.2 Ų | 143.2 | 79% | 0.788 | 79% | 0.788 | S | S | * | * | | | | 60.3 | 102.8 | 87.9 | 179.6 | 0 | 0 | 0 | 0 | 110.6 | | |
| 1036 | S | 26.5 | Very low | 29 | Very low | 102 Ų | 102 | 140.4 Ų | 140.4 | 71% | 0.713 | 79% | 0.787 | S | S | * | * | | | trans | -74.1 | 168.1 | 171.5 | -43.5 | 0 | 0 | 0 | 0 | 111.7 | | |
| 1037 | L | 27.3 | Very low | 28.6 | Very low | 161 Ų | 161 | 138.5 Ų | 138.5 | 84% | 0.843 | 79% | 0.785 | S | S | * | * | | | trans | 72.8 | 110.6 | 172.1 | -49.6 | 149.4 | 0 | 0 | 0 | 112 | | |
| 1038 | D | 32 | Very low | 28.9 | Very low | 141 Ų | 141 | 138.2 Ų | 138.2 | 75% | 0.754 | 78% | 0.784 | S | S | * | * | | | | -146.6 | 143.3 | 65.8 | -97.7 | -35.9 | 0 | 0 | 0 | 111.2 | | |
| 1039 | R | 24.3 | Very low | 28.9 | Very low | 220 Ų | 220 | 140 Ų | 140 | 83% | 0.83 | 78% | 0.779 | S | S | * | * | | | | 83.8 | 85.7 | 59.9 | -166.3 | -169.9 | -177.7 | 100.8 | 3.9 | 113.7 | | |
| 1040 | A | 26.8 | Very low | 29.1 | Very low | 101 Ų | 101 | 143.5 Ų | 143.5 | 84% | 0.835 | 78% | 0.78 | S | S | * | * | | | trans | 42.5 | 98.2 | 144.1 | 0 | 0 | 0 | 0 | 0 | 119.1 | | |
| 1041 | S | 32.2 | Very low | 29.4 | Very low | 113 Ų | 113 | 141 Ų | 141 | 79% | 0.79 | 78% | 0.776 | S | S | * | * | | | trans | -128.3 | 99.2 | 149 | 53.1 | 0 | 0 | 0 | 0 | 110.5 | | |
| 1042 | Q | 27.6 | Very low | 29.5 | Very low | 181 Ų | 181 | 143.7 Ų | 143.7 | 85% | 0.846 | 79% | 0.789 | S | S | * | * | | | trans | -64.1 | 147.3 | 155.1 | -71.8 | -177.2 | -12.8 | 0 | 0 | 108.2 | | |
| 1043 | P | 33.3 | Very low | 29.6 | Very low | 112 Ų | 112 | 145.8 Ų | 145.8 | 73% | 0.727 | 79% | 0.79 | S | S | * | * | | | | -135.8 | 128.4 | 118.2 | 34.3 | -24 | 0 | 0 | 0 | 114 | | |
| 1044 | R | 30.6 | Very low | 29.6 | Very low | 229 Ų | 229 | 144.9 Ų | 144.9 | 86% | 0.864 | 79% | 0.794 | S | S | * | * | | | trans | 57.1 | 94.2 | 141.5 | -63 | 179.7 | 176.4 | 166.5 | -1.2 | 118 | S1046 | R1044-S1046 PolarHBondContact O-N 2.89Š|
| 1045 | N | 29.3 | Very low | 29.3 | Very low | 144 Ų | 144 | 143.6 Ų | 143.6 | 77% | 0.77 | 79% | 0.789 | S | S | * | * | | | trans | -15.5 | 122.2 | 132.5 | -47.5 | -0.6 | 0 | 0 | 0 | 114.2 | | |
| 1046 | S | 30.8 | Very low | 29.2 | Very low | 109 Ų | 109 | 143.6 Ų | 143.6 | 76% | 0.762 | 78% | 0.784 | S | S | * | * | | | trans | -133 | 90.7 | 147.4 | 59.7 | 0 | 0 | 0 | 0 | 107.6 | R1044 T1048 | R1044-S1046 PolarHBondContact O-N 2.89Å; S1046-T1048 PolarHBondContact O-N 2.85Å |
| 1047 | C | 23.8 | Very low | 29.3 | Very low | 108 Ų | 108 | 144.1 Ų | 144.1 | 73% | 0.73 | 79% | 0.787 | S | S | * | * | | | trans | -74.5 | 105.3 | -175.9 | -57 | 0 | 0 | 0 | 0 | 110.5 | T1049 | C1047-T1049 PolarHBondContact O-N 2.84Š|
| 1048 | T | 33.2 | Very low | 29.6 | Very low | 139 Ų | 139 | 144.1 Ų | 144.1 | 85% | 0.853 | 79% | 0.786 | S | S | * | * | | | trans | -88.7 | 90.6 | 160.2 | 48.3 | 0 | 0 | 0 | 0 | 108.7 | S1046 F1050 | S1046-T1048 PolarHBondContact O-N 2.85Å; T1048-F1050 PolarHBondContact O-N 3.04Å |
| 1049 | T | 27.5 | Very low | 29.4 | Very low | 115 Ų | 115 | 147.7 Ų | 147.7 | 71% | 0.706 | 79% | 0.789 | S | S | * | * | | | trans | -58.3 | 116.3 | 175.3 | -57.8 | 0 | 0 | 0 | 0 | 111.3 | C1047 | C1047-T1049 PolarHBondContact O-N 2.84Š|
| 1050 | F | 29.8 | Very low | 29.5 | Very low | 192 Ų | 192 | 142.3 Ų | 142.3 | 84% | 0.842 | 78% | 0.784 | S | S | * | * | | | trans | -143.5 | 124.3 | 144.6 | -97.8 | -76.2 | 0 | 0 | 0 | 108.7 | T1048 I1052 | T1048-F1050 PolarHBondContact O-N 3.04Å; F1050-I1052 PolarHBondContact O-N 2.83Å |
| 1051 | P | 30.7 | Very low | 30 | Very low | 115 Ų | 115 | 143.8 Ų | 143.8 | 75% | 0.747 | 79% | 0.785 | S | S | * | * | | | trans | -76 | 110 | -179.2 | 29.8 | -32.6 | 0 | 0 | 0 | 110.2 | | |
| 1052 | I | 34.6 | Very low | 29.8 | Very low | 157 Ų | 157 | 145.5 Ų | 145.5 | 81% | 0.805 | 78% | 0.784 | S | S | * | * | | | trans | -71.9 | 128.9 | 166.4 | -60.4 | 172.5 | 0 | 0 | 0 | 107.2 | F1050 E1054 | F1050-I1052 PolarHBondContact O-N 2.83Å; I1052-E1054 PolarHBondContact O-N 3.01Å |
| 1053 | M | 30.6 | Very low | 29.9 | Very low | 168 Ų | 168 | 145.3 Ų | 145.3 | 83% | 0.828 | 78% | 0.783 | S | S | * | * | | | trans | -65.1 | 131 | 175.1 | -67.8 | -165.5 | -65.4 | 0 | 0 | 110.2 | C1055 | M1053-C1055 PolarHBondContact O-N 3.29Š|
| 1054 | E | 29 | Very low | 29.7 | Very low | 167 Ų | 167 | 147.6 Ų | 147.6 | 78% | 0.78 | 78% | 0.784 | S | S | * | * | | | trans | -72.7 | 93.6 | -179.2 | -65.4 | -177 | 135 | 0 | 0 | 110.7 | I1052 N1056 | I1052-E1054 PolarHBondContact O-N 3.01Å; E1054-N1056 PolarHBondContact O-N 3.12Å; E1054-N1056 PolarHBondContact O-ND2 3.33Å |
| 1055 | C | 25 | Very low | 29.7 | Very low | 112 Ų | 112 | 142.5 Ų | 142.5 | 76% | 0.757 | 78% | 0.779 | S | S | * | * | | | trans | -65.2 | 85.2 | 167.4 | -66.9 | 0 | 0 | 0 | 0 | 109.9 | M1053 C1057 | M1053-C1055 PolarHBondContact O-N 3.29Å; C1055-C1057 PolarHBondContact O-N 3.14Å |
| 1056 | N | 28.6 | Very low | 29.7 | Very low | 129 Ų | 129 | 144 Ų | 144 | 69% | 0.69 | 78% | 0.779 | S | S | * | * | | | trans | -72.8 | 59.7 | 176.9 | -82.4 | -62.5 | 0 | 0 | 0 | 111.8 | E1054 I1058 | E1054-N1056 PolarHBondContact O-N 3.12Å; E1054-N1056 PolarHBondContact O-ND2 3.33Å; N1056-I1058 PolarHBondContact O-N 2.89Å |
| 1057 | C | 27.5 | Very low | 29.6 | Very low | 114 Ų | 114 | 143 Ų | 143 | 77% | 0.77 | 78% | 0.777 | S | S | * | * | | | trans | -63.9 | 101.1 | 165.2 | -63.4 | 0 | 0 | 0 | 0 | 108.1 | C1055 R1059 | C1055-C1057 PolarHBondContact O-N 3.14Å; C1057-R1059 VanDerWaalsContact C-N 3.26Å; C1057-R1059 PolarHBondContact O-N 3Å |
| 1058 | I | 33.8 | Very low | 29.8 | Very low | 160 Ų | 160 | 145.3 Ų | 145.3 | 82% | 0.821 | 78% | 0.781 | S | S | * | * | | | trans | -68.6 | 90.2 | 179.1 | -61.7 | -178.2 | 0 | 0 | 0 | 108.9 | N1056 C1060 | N1056-I1058 PolarHBondContact O-N 2.89Å; I1058-C1060 PolarHBondContact O-N 3.38Å |
| 1059 | R | 28.2 | Very low | 29.9 | Very low | 216 Ų | 216 | 144.7 Ų | 144.7 | 82% | 0.815 | 78% | 0.78 | S | S | * | * | | | trans | -39.4 | 109.6 | 177.6 | -173 | 177.2 | -173.1 | 167.4 | -0.6 | 112.2 | C1057 | C1057-R1059 VanDerWaalsContact C-N 3.26Å; C1057-R1059 PolarHBondContact O-N 3Å |
| 1060 | C | 27.1 | Very low | 30 | Very low | 108 Ų | 108 | 147.9 Ų | 147.9 | 73% | 0.73 | 79% | 0.786 | S | S | * | * | | | trans | -50.2 | 132.1 | 169.8 | -65.9 | 0 | 0 | 0 | 0 | 110 | I1058 L1062 | I1058-C1060 PolarHBondContact O-N 3.38Å; C1060-L1062 PolarHBondContact O-N 3.39Å |
| 1061 | P | 36.2 | Very low | 29.9 | Very low | 131 Ų | 131 | 143.9 Ų | 143.9 | 85% | 0.851 | 78% | 0.782 | S | S | * | * | | | trans | -61.3 | 105.5 | -177.8 | -26.1 | 35.6 | 0 | 0 | 0 | 112.4 | | |
| 1062 | L | 29.5 | Very low | 30.1 | Very low | 149 Ų | 149 | 147.2 Ų | 147.2 | 78% | 0.78 | 79% | 0.785 | S | S | * | * | | | trans | -67.2 | 140.1 | 170.7 | -89.8 | 166.3 | 0 | 0 | 0 | 110.2 | C1060 E1064 | C1060-L1062 PolarHBondContact O-N 3.39Å; L1062-E1064 PolarHBondContact O-N 3.06Å |
| 1063 | H | 28.8 | Very low | 30.1 | Very low | 178 Ų | 178 | 146.6 Ų | 146.6 | 82% | 0.824 | 78% | 0.779 | S | S | * | * | | | trans | -66 | 82.9 | 178 | -112.9 | -107 | 0 | 0 | 0 | 111.7 | T1065 | H1063-T1065 PolarHBondContact O-N 3.13Å; H1063-T1065 VanDerWaalsContact O-N 3.09Å; H1063-T1065 PolarHBondContact O-OG1 3.01Å |
| 1064 | E | 29.2 | Very low | 30 | Very low | 159 Ų | 159 | 146.8 Ų | 146.8 | 74% | 0.743 | 78% | 0.777 | S | S | * | * | | | trans | -77.9 | 99.8 | 174.5 | -162.9 | 159.5 | -122.2 | 0 | 0 | 110.6 | L1062 F1066 | L1062-E1064 PolarHBondContact O-N 3.06Å; E1064-F1066 HydrophobicContact CG-CD2 4.1Å; E1064-F1066 HydrophobicContact CG-CE2 3.77Å; E1064-F1066 PolarHBondContact O-N 3.35Å |
| 1065 | T | 30 | Very low | 30.1 | Very low | 123 Ų | 123 | 143.9 Ų | 143.9 | 76% | 0.755 | 78% | 0.782 | S | S | * | * | | | trans | -81.3 | 83.6 | -169.9 | -57.1 | 0 | 0 | 0 | 0 | 110.4 | H1063 A1067 | H1063-T1065 PolarHBondContact O-N 3.13Å; H1063-T1065 VanDerWaalsContact O-N 3.09Å; H1063-T1065 PolarHBondContact O-OG1 3.01Å; T1065-A1067 PolarHBondContact O-N 3.36Å |
| 1066 | F | 29.6 | Very low | 30 | Very low | 176 Ų | 176 | 148.8 Ų | 148.8 | 77% | 0.772 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 122.4 | 178.3 | -93.8 | -83.5 | 0 | 0 | 0 | 112.3 | E1064 | E1064-F1066 HydrophobicContact CG-CD2 4.1Å; E1064-F1066 HydrophobicContact CG-CE2 3.77Å; E1064-F1066 PolarHBondContact O-N 3.35Å |
| 1067 | A | 27.9 | Very low | 30.1 | Very low | 88 Ų | 88 | 148.3 Ų | 148.3 | 73% | 0.727 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -72.9 | 160.7 | -173.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | T1065 | T1065-A1067 PolarHBondContact O-N 3.36Š|
| 1068 | L | 28.8 | Very low | 30 | Very low | 155 Ų | 155 | 151.1 Ų | 151.1 | 81% | 0.812 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -56.3 | 134.6 | 175.5 | -83.2 | 64.7 | 0 | 0 | 0 | 111.1 | H1070 | L1068-H1070 PolarHBondContact O-N 3.32Š|
| 1069 | P | 35.4 | Very low | 29.8 | Very low | 127 Ų | 127 | 148.5 Ų | 148.5 | 83% | 0.825 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 136.5 | 168.9 | 27.4 | -33.5 | 0 | 0 | 0 | 110.2 | | |
| 1070 | H | 30.7 | Very low | 29.9 | Very low | 181 Ų | 181 | 145.6 Ų | 145.6 | 84% | 0.838 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 146.2 | -165.9 | -82.6 | -84.6 | 0 | 0 | 0 | 115.2 | L1068 | L1068-H1070 PolarHBondContact O-N 3.32Š|
| 1071 | S | 27.6 | Very low | 30.1 | Very low | 108 Ų | 108 | 146.2 Ų | 146.2 | 76% | 0.755 | 79% | 0.786 | S | S | * | * | | | trans | -34.3 | 137.7 | 162.4 | 52 | 0 | 0 | 0 | 0 | 115.3 | | |
| 1072 | K | 33.8 | Very low | 29.9 | Very low | 185 Ų | 185 | 149.5 Ų | 149.5 | 80% | 0.804 | 79% | 0.787 | S | S | * | * | | | trans | -129.2 | 92.3 | 156.5 | -165.4 | 158.5 | -169.5 | 165.5 | 0 | 113.4 | | |
| 1073 | E | 33.9 | Very low | 30.1 | Very low | 145 Ų | 145 | 149.6 Ų | 149.6 | 68% | 0.678 | 79% | 0.788 | S | S | * | * | | | trans | 50.3 | 105.2 | 135.5 | -59.1 | 171.9 | 136.1 | 0 | 0 | 119.9 | | |
| 1074 | H | 30.3 | Very low | 30.2 | Very low | 171 Ų | 171 | 144.8 Ų | 144.8 | 79% | 0.792 | 79% | 0.787 | S | S | * | * | | | trans | 39.5 | 96.6 | 131.1 | -57.5 | -73.7 | 0 | 0 | 0 | 120 | | |
| 1075 | A | 29.3 | Very low | 30.3 | Very low | 106 Ų | 106 | 143.8 Ų | 143.8 | 88% | 0.876 | 79% | 0.791 | S | S | * | * | | | trans | -121.3 | 75.4 | 154 | 0 | 0 | 0 | 0 | 0 | 110.4 | V1077 | A1075-V1077 PolarHBondContact O-N 2.98Š|
| 1076 | Y | 24.6 | Very low | 30.1 | Very low | 216 Ų | 216 | 147.3 Ų | 147.3 | 85% | 0.847 | 80% | 0.796 | S | S | * | * | | | trans | -90.2 | 81.4 | -173.9 | -127.8 | -84.5 | 0 | 0 | 0 | 111.7 | | |
| 1077 | V | 29.7 | Very low | 30 | Very low | 119 Ų | 119 | 144.6 Ų | 144.6 | 72% | 0.721 | 80% | 0.799 | S | S | * | * | | | trans | -138 | 84.3 | 163.9 | -172 | 0 | 0 | 0 | 0 | 110.2 | A1075 T1079 | A1075-V1077 PolarHBondContact O-N 2.98Å; V1077-T1079 HydrophobicContact CG1-CG2 4.41Å; V1077-T1079 PolarHBondContact O-N 2.69Å |
| 1078 | N | 25.3 | Very low | 30.6 | Very low | 172 Ų | 172 | 146.8 Ų | 146.8 | 92% | 0.92 | 80% | 0.804 | S | S | * | * | | | trans | -91.6 | 80.6 | 169.3 | -130.8 | 1.1 | 0 | 0 | 0 | 109.1 | | |
| 1079 | T | 28.9 | Very low | 30.7 | Very low | 106 Ų | 106 | 144.4 Ų | 144.4 | 65% | 0.65 | 80% | 0.798 | S | S | * | * | | | trans | -127.9 | 113.4 | 167.9 | 56.1 | 0 | 0 | 0 | 0 | 110 | V1077 | V1077-T1079 HydrophobicContact CG1-CG2 4.41Å; V1077-T1079 PolarHBondContact O-N 2.69Å |
| 1080 | I | 31.9 | Very low | 30.3 | Very low | 155 Ų | 155 | 145.3 Ų | 145.3 | 80% | 0.795 | 80% | 0.795 | S | S | * | * | | | | -160 | 121.7 | 118.6 | -89.9 | 142.6 | 0 | 0 | 0 | 106.1 | | |
| 1081 | T | 29.7 | Very low | 30 | Very low | 121 Ų | 121 | 142.4 Ų | 142.4 | 74% | 0.742 | 79% | 0.79 | S | S | * | * | | | trans | -65.7 | 141.4 | 168.9 | 38 | 0 | 0 | 0 | 0 | 110.1 | | |
| 1082 | K | 33.4 | Very low | 29.9 | Very low | 199 Ų | 199 | 141 Ų | 141 | 87% | 0.865 | 78% | 0.781 | S | S | * | * | | | trans | -120.8 | 84.5 | 165.2 | -84.7 | -167.5 | 172.5 | -176 | 0 | 110.1 | | |
| 1083 | D | 32.4 | Very low | 29.9 | Very low | 152 Ų | 152 | 141.1 Ų | 141.1 | 81% | 0.813 | 79% | 0.786 | S | S | * | * | | | trans | -63.2 | 150 | 152.4 | -57.5 | -75.4 | 0 | 0 | 0 | 109.6 | | |
| 1084 | G | 31.6 | Very low | 29.6 | Very low | 77 Ų | 77 | 141 Ų | 141 | 79% | 0.794 | 79% | 0.789 | S | S | * | * | | | trans | 144.6 | 72.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 1085 | V | 31.3 | Very low | 29.7 | Very low | 137 Ų | 137 | 140.5 Ų | 140.5 | 83% | 0.83 | 79% | 0.79 | S | S | * | * | | | trans | -75 | 147.6 | 170.6 | 176.6 | 0 | 0 | 0 | 0 | 110.2 | | |
| 1086 | F | 25.8 | Very low | 30.1 | Very low | 197 Ų | 197 | 140.1 Ų | 140.1 | 86% | 0.864 | 78% | 0.779 | S | S | * | * | | | trans | -31.8 | 140 | -178.3 | -70.6 | -95.5 | 0 | 0 | 0 | 117.4 | | |
| 1087 | S | 28 | Very low | 30.4 | Very low | 119 Ų | 119 | 137.3 Ų | 137.3 | 83% | 0.832 | 78% | 0.778 | S | S | * | * | | | trans | -147.7 | 124.8 | 157 | -71.8 | 0 | 0 | 0 | 0 | 109.4 | | |
| 1088 | T | 39.5 | Very low | 30.4 | Very low | 135 Ų | 135 | 136.8 Ų | 136.8 | 83% | 0.828 | 78% | 0.78 | S | S | * | * | | | trans | -83.5 | 157.3 | 171.2 | 49.8 | 0 | 0 | 0 | 0 | 110.1 | | |
| 1089 | P | 31.2 | Very low | 30.9 | Very low | 105 Ų | 105 | 133.9 Ų | 133.9 | 68% | 0.682 | 77% | 0.77 | S | S | * | * | | | | -151.8 | -178.4 | 107.4 | 40.5 | -24.3 | 0 | 0 | 0 | 115.6 | | |
| 1090 | N | 27.6 | Very low | 30.9 | Very low | 145 Ų | 145 | 134 Ų | 134 | 78% | 0.775 | 78% | 0.775 | S | S | * | * | | | trans | 84.9 | 142.8 | 156.4 | -67.3 | -14.5 | 0 | 0 | 0 | 121.4 | | |
| 1091 | V | 23.6 | Very low | 30.8 | Very low | 120 Ų | 120 | 136.2 Ų | 136.2 | 73% | 0.727 | 78% | 0.779 | S | S | * | * | | | | -178.2 | 150.2 | -53.3 | 142 | 0 | 0 | 0 | 0 | 110.5 | | |
| 1092 | S | 25.5 | Very low | 30.8 | Very low | 80 Ų | 80 | 134.7 Ų | 134.7 | 56% | 0.559 | 77% | 0.773 | S | S | * | * | | | trans | 54 | 113.2 | 160.9 | 65.4 | 0 | 0 | 0 | 0 | 122 | | |
| 1093 | M | 34.9 | Very low | 30.7 | Very low | 187 Ų | 187 | 131.1 Ų | 131.1 | 92% | 0.921 | 77% | 0.77 | S | S | * | * | | | | -161.1 | 96.3 | 118.5 | -73.6 | -146.7 | -59.7 | 0 | 0 | 105.4 | | |
| 1094 | I | 28 | Very low | 30.4 | Very low | 142 Ų | 142 | 130.3 Ų | 130.3 | 73% | 0.728 | 77% | 0.766 | S | S | * | * | | | | 66.3 | 124.4 | 60.2 | -43.6 | 177.1 | 0 | 0 | 0 | 113.3 | | |
| 1095 | I | 31.8 | Very low | 30.2 | Very low | 160 Ų | 160 | 136.4 Ų | 136.4 | 82% | 0.821 | 77% | 0.766 | S | S | * | * | | | trans | 105.9 | 130.2 | 166.8 | -57.5 | -168.3 | 0 | 0 | 0 | 115.6 | | |
| 1096 | P | 38.3 | Very low | 30 | Very low | 98 Ų | 98 | 140.1 Ų | 140.1 | 64% | 0.636 | 77% | 0.765 | S | S | * | * | | | trans | -133.2 | -178.8 | -157.8 | 38.8 | -17.2 | 0 | 0 | 0 | 115.5 | | |
| 1097 | N | 31 | Very low | 30.1 | Very low | 157 Ų | 157 | 142 Ų | 142 | 84% | 0.84 | 77% | 0.767 | S | S | * | * | | | | 178.9 | 156 | 114.8 | -89.7 | -40.5 | 0 | 0 | 0 | 113.5 | | |
| 1098 | S | 27.9 | Very low | 30.2 | Very low | 108 Ų | 108 | 147.6 Ų | 147.6 | 76% | 0.755 | 77% | 0.77 | S | S | * | * | | | trans | -92.6 | -176.6 | -179 | 59.7 | 0 | 0 | 0 | 0 | 111.1 | | |
| 1099 | P | 37.4 | Very low | 29.7 | Very low | 111 Ų | 111 | 152.8 Ų | 152.8 | 72% | 0.721 | 77% | 0.774 | S | S | * | * | | | cis | -139.3 | 172.5 | 8 | 43.5 | -26.4 | 0 | 0 | 0 | 117.2 | | |
| 1100 | C | 27.7 | Very low | 29.3 | Very low | 109 Ų | 109 | 152.8 Ų | 152.8 | 74% | 0.736 | 78% | 0.776 | S | S | * | * | | | | 177.6 | 155 | 127.1 | -102.9 | 0 | 0 | 0 | 0 | 114.9 | | |
| 1101 | F | 31 | Very low | 29.4 | Very low | 202 Ų | 202 | 151.9 Ų | 151.9 | 89% | 0.886 | 78% | 0.775 | S | S | * | * | | | trans | 63.6 | 138.9 | 166.9 | -70.6 | -69.6 | 0 | 0 | 0 | 122.8 | | |
| 1102 | S | 29.3 | Very low | 29.5 | Very low | 89 Ų | 89 | 154.3 Ų | 154.3 | 62% | 0.622 | 78% | 0.781 | S | S | * | * | | | trans | -153.8 | 141.7 | 165.1 | -174.3 | 0 | 0 | 0 | 0 | 107.4 | | |
| 1103 | P | 32 | Very low | 29.8 | Very low | 123 Ų | 123 | 162.4 Ų | 162.4 | 80% | 0.799 | 80% | 0.799 | S | S | * | * | | | | -139.3 | 127.4 | 105.3 | 32.7 | -17.9 | 0 | 0 | 0 | 112.7 | | |
| 1104 | N | 25.4 | Very low | 29.6 | Very low | 135 Ų | 135 | 156.8 Ų | 156.8 | 72% | 0.722 | 78% | 0.783 | S | S | * | * | | | | 68.1 | 95 | 81.7 | -97.8 | -58.4 | 0 | 0 | 0 | 115.8 | | |
| 1105 | Y | 28.1 | Very low | 29.7 | Very low | 205 Ų | 205 | 155.9 Ų | 155.9 | 80% | 0.804 | 78% | 0.784 | S | S | * | * | | | trans | -136.7 | 153.6 | 136.9 | -111.9 | -93.6 | 0 | 0 | 0 | 110.4 | | |
| 1106 | R | 26.4 | Very low | 29.5 | Very low | 216 Ų | 216 | 154.8 Ų | 154.8 | 82% | 0.815 | 79% | 0.785 | S | S | * | * | S | Bend | trans | -21.1 | 141 | 171.6 | -55.5 | 163.8 | 176.9 | 171.8 | -5.1 | 115.5 | | |
| 1107 | R | 28.5 | Very low | 29.1 | Very low | 236 Ų | 236 | 154.7 Ų | 154.7 | 89% | 0.891 | 79% | 0.792 | S | S | * | * | | | cis | -139.2 | 164.9 | 7.8 | -48.7 | 169.3 | 171.4 | 145.2 | -4.8 | 107.6 | | |
| 1108 | R | 29.7 | Very low | 28.8 | Very low | 236 Ų | 236 | 155.2 Ų | 155.2 | 89% | 0.891 | 79% | 0.79 | S | S | * | * | | | cis | 77.6 | 136.4 | 18.9 | -67.2 | -167.1 | 174 | -156.7 | -1.8 | 117.7 | | |
| 1109 | R | 28.5 | Very low | 28.8 | Very low | 244 Ų | 244 | 159.4 Ų | 159.4 | 92% | 0.921 | 79% | 0.794 | S | S | * | * | | | trans | 71.4 | 127.5 | -166.1 | -62.6 | -172.8 | -179.9 | -168.1 | -0.7 | 113.3 | | |
| 1110 | C | 23.8 | Very low | 29 | Very low | 106 Ų | 106 | 159.6 Ų | 159.6 | 72% | 0.716 | 80% | 0.796 | S | S | * | * | | | cis | -155.4 | 160 | -3.9 | -87.6 | 0 | 0 | 0 | 0 | 107.8 | | |
| 1111 | T | 27.9 | Very low | 29.5 | Very low | 125 Ų | 125 | 160 Ų | 160 | 77% | 0.767 | 80% | 0.797 | S | S | * | * | | | cis | -157.2 | 148.2 | -7.6 | 7.8 | 0 | 0 | 0 | 0 | 110.7 | | |
| 1112 | M | 26.8 | Very low | 29.2 | Very low | 171 Ų | 171 | 154.2 Ų | 154.2 | 84% | 0.842 | 78% | 0.782 | S | S | * | * | | | trans | -0.1 | 127.2 | 151.2 | -57.3 | -74.6 | -75 | 0 | 0 | 118.8 | | |
| 1113 | R | 31.6 | Very low | 29.2 | Very low | 250 Ų | 250 | 158.7 Ų | 158.7 | 94% | 0.943 | 79% | 0.79 | S | S | * | * | | | | -147.6 | 137.1 | 123.1 | -153.3 | 168.6 | -171.6 | 162.5 | 2.7 | 110.2 | | |
| 1114 | A | 31.5 | Very low | 29 | Very low | 70 Ų | 70 | 159 Ų | 159 | 58% | 0.579 | 79% | 0.785 | S | S | * | * | | | trans | -123.8 | 156.3 | -177.4 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 1115 | T | 30.1 | Very low | 29.2 | Very low | 123 Ų | 123 | 158.6 Ų | 158.6 | 76% | 0.755 | 78% | 0.783 | S | S | * | * | | | trans | 48.3 | 102.7 | 148.1 | 52.4 | 0 | 0 | 0 | 0 | 120.6 | | |
| 1116 | T | 27.4 | Very low | 29.3 | Very low | 137 Ų | 137 | 156.6 Ų | 156.6 | 84% | 0.84 | 78% | 0.781 | S | S | * | * | | | | 66.7 | 159.3 | 117.3 | -14.4 | 0 | 0 | 0 | 0 | 122.1 | | |
| 1117 | A | 29.2 | Very low | 29.6 | Very low | 96 Ų | 96 | 150.9 Ų | 150.9 | 79% | 0.793 | 77% | 0.774 | S | S | * | * | | | trans | 87.9 | 132 | 163.2 | 0 | 0 | 0 | 0 | 0 | 117.8 | | |
| 1118 | Q | 25 | Very low | 29.6 | Very low | 168 Ų | 168 | 147.8 Ų | 147.8 | 79% | 0.785 | 77% | 0.769 | S | S | * | * | | | trans | -87.8 | 154.3 | 174.7 | -60.3 | 136.4 | -53.5 | 0 | 0 | 110.1 | | |
| 1119 | F | 28 | Very low | 29.7 | Very low | 195 Ų | 195 | 143.6 Ų | 143.6 | 86% | 0.855 | 76% | 0.764 | S | S | * | * | | | | 170.1 | 127.8 | 121.2 | -95.6 | -67.2 | 0 | 0 | 0 | 111 | | |
| 1120 | P | 41.2 | Very low | 29.9 | Very low | 116 Ų | 116 | 139.4 Ų | 139.4 | 75% | 0.753 | 76% | 0.759 | S | S | * | * | | | trans | -93.6 | 135.8 | 161.6 | 34.8 | -29.2 | 0 | 0 | 0 | 110.5 | | |
| 1121 | P | 37.6 | Very low | 30.7 | Very low | 118 Ų | 118 | 138.9 Ų | 138.9 | 77% | 0.766 | 76% | 0.755 | S | S | * | * | | | | -150.4 | -172.4 | 100.2 | 42 | -25.1 | 0 | 0 | 0 | 111.9 | | |
| 1122 | S | 25.8 | Very low | 30.7 | Very low | 80 Ų | 80 | 141.8 Ų | 141.8 | 56% | 0.559 | 76% | 0.759 | S | S | * | * | | | cis | -175.3 | 154.7 | -31.4 | 53.6 | 0 | 0 | 0 | 0 | 108.4 | | |
| 1123 | F | 28.9 | Very low | 30.9 | Very low | 182 Ų | 182 | 139.4 Ų | 139.4 | 80% | 0.798 | 76% | 0.759 | S | S | * | * | | | trans | 65.6 | 164.8 | 168 | -52.3 | -58.9 | 0 | 0 | 0 | 115.4 | | |
| 1124 | D | 28.3 | Very low | 30.9 | Very low | 130 Ų | 130 | 135.4 Ų | 135.4 | 70% | 0.695 | 76% | 0.756 | S | S | * | * | | | cis | -162.6 | -178 | -29.6 | -102.7 | -11.4 | 0 | 0 | 0 | 109.6 | | |
| 1125 | N | 30.1 | Very low | 31 | Very low | 127 Ų | 127 | 138.7 Ų | 138.7 | 68% | 0.679 | 77% | 0.769 | S | S | * | * | | | trans | 77.1 | 113.7 | 152.4 | -73.2 | 0.7 | 0 | 0 | 0 | 122.6 | | |
| 1126 | E | 29.4 | Very low | 31 | Very low | 163 Ų | 163 | 138.2 Ų | 138.2 | 76% | 0.762 | 77% | 0.768 | S | S | * | * | | | | 71.9 | 155.9 | 119.6 | -62.9 | -169.2 | 114.2 | 0 | 0 | 124.2 | | |
| 1127 | S | 31.8 | Very low | 31.3 | Very low | 96 Ų | 96 | 137.9 Ų | 137.9 | 67% | 0.671 | 77% | 0.768 | S | S | * | * | | | trans | 89.6 | 96.2 | 146.9 | 72.7 | 0 | 0 | 0 | 0 | 121.7 | | |
| 1128 | H | 28.9 | Very low | 31.4 | Very low | 170 Ų | 170 | 141.2 Ų | 141.2 | 79% | 0.787 | 77% | 0.772 | S | S | * | * | | | | 66.2 | 132.2 | 114.7 | -64.6 | -53.2 | 0 | 0 | 0 | 124.1 | | |
| 1129 | L | 31.5 | Very low | 31.3 | Very low | 148 Ų | 148 | 138.5 Ų | 138.5 | 78% | 0.775 | 77% | 0.77 | S | S | * | * | | | trans | 90.5 | 131.9 | 137.9 | -73.3 | 162.3 | 0 | 0 | 0 | 123.3 | | |
| 1130 | L | 33.6 | Very low | 31.4 | Very low | 157 Ų | 157 | 135 Ų | 135 | 82% | 0.822 | 77% | 0.769 | S | S | * | * | | | trans | 79.1 | 158.9 | 145.5 | -66.7 | 167.3 | 0 | 0 | 0 | 120.6 | | |
| 1131 | P | 39.5 | Very low | 30.8 | Very low | 95 Ų | 95 | 134.7 Ų | 134.7 | 62% | 0.617 | 77% | 0.769 | S | S | * | * | | | trans | -134.8 | 178.3 | -143.2 | 46 | -30.5 | 0 | 0 | 0 | 118.3 | | |
| 1132 | H | 27.7 | Very low | 30.6 | Very low | 186 Ų | 186 | 134.5 Ų | 134.5 | 86% | 0.861 | 77% | 0.768 | S | S | * | * | | | trans | 59.5 | 107.2 | 158.1 | -61.6 | -57.2 | 0 | 0 | 0 | 120.2 | | |
| 1133 | S | 31.6 | Very low | 30.7 | Very low | 120 Ų | 120 | 136 Ų | 136 | 84% | 0.839 | 78% | 0.776 | S | S | * | * | | | trans | -146.2 | 155.5 | 156.2 | 65.8 | 0 | 0 | 0 | 0 | 111.4 | | |
| 1134 | N | 31.5 | Very low | 30.9 | Very low | 166 Ų | 166 | 133.5 Ų | 133.5 | 89% | 0.888 | 78% | 0.777 | S | S | * | * | | | trans | -98.3 | 132.8 | -170.2 | -60.5 | -65.6 | 0 | 0 | 0 | 113.1 | | |
| 1135 | V | 34.9 | Very low | 30.8 | Very low | 140 Ų | 140 | 137.9 Ų | 137.9 | 85% | 0.848 | 78% | 0.784 | S | S | * | * | | | trans | -158.8 | 152.2 | 154.1 | 125.4 | 0 | 0 | 0 | 0 | 111 | | |
| 1136 | P | 28.2 | Very low | 30.9 | Very low | 113 Ų | 113 | 138.2 Ų | 138.2 | 73% | 0.734 | 79% | 0.785 | S | S | * | * | | | trans | -84.8 | 171.5 | -173.5 | -9.7 | 29.6 | 0 | 0 | 0 | 115.1 | | |
| 1137 | P | 34.4 | Very low | 31.1 | Very low | 129 Ų | 129 | 135.8 Ų | 135.8 | 84% | 0.838 | 78% | 0.784 | S | S | * | * | | | trans | -88.1 | 150.7 | -166.7 | 34.7 | -36.3 | 0 | 0 | 0 | 115.6 | | |
| 1138 | L | 30.7 | Very low | 31.1 | Very low | 166 Ų | 166 | 137.7 Ų | 137.7 | 87% | 0.869 | 79% | 0.786 | S | S | * | * | | | trans | -127.5 | 158.1 | 159.4 | -147.2 | 150.6 | 0 | 0 | 0 | 108.3 | | |
| 1139 | C | 24.3 | Very low | 31.6 | Very low | 112 Ų | 112 | 134.9 Ų | 134.9 | 76% | 0.757 | 78% | 0.782 | S | S | * | * | S | Bend | trans | -63.4 | 160.1 | -165.8 | -55.1 | 0 | 0 | 0 | 0 | 116 | | |
| 1140 | C | 29.2 | Very low | 31.6 | Very low | 122 Ų | 122 | 133 Ų | 133 | 82% | 0.824 | 78% | 0.777 | S | S | * | * | | | trans | 72.9 | 121.3 | 177 | -57.9 | 0 | 0 | 0 | 0 | 114.2 | | |
| 1141 | S | 28.9 | Very low | 31.3 | Very low | 108 Ų | 108 | 130 Ų | 130 | 76% | 0.755 | 77% | 0.769 | S | S | * | * | | | cis | -146.7 | 163.8 | 12.1 | -72.2 | 0 | 0 | 0 | 0 | 113.3 | | |
| 1142 | P | 33.8 | Very low | 30.8 | Very low | 115 Ų | 115 | 131.6 Ų | 131.6 | 75% | 0.747 | 78% | 0.777 | S | S | * | * | | | trans | -69.3 | 162.4 | 176 | -15.6 | 31.1 | 0 | 0 | 0 | 113.5 | | |
| 1143 | P | 26.7 | Very low | 30.8 | Very low | 112 Ų | 112 | 128 Ų | 128 | 73% | 0.727 | 77% | 0.773 | S | S | * | * | | | trans | -78.7 | 140.2 | 178.7 | 31.9 | -34.7 | 0 | 0 | 0 | 112.9 | R1145 | P1143-R1145 PolarHBondContact O-N 3.23Å; P1143-R1145 VanDerWaalsContact O-N 3.1Å |
| 1144 | P | 34.3 | Very low | 30.6 | Very low | 128 Ų | 128 | 129.1 Ų | 129.1 | 83% | 0.831 | 77% | 0.768 | S | S | * | * | | | trans | -77.3 | 91.4 | 164.8 | 31.8 | -32.6 | 0 | 0 | 0 | 110.6 | | |
| 1145 | R | 25.5 | Very low | 30.5 | Very low | 222 Ų | 222 | 129.7 Ų | 129.7 | 84% | 0.838 | 76% | 0.763 | S | S | * | * | | | trans | -114.5 | 96.8 | 149.6 | -77.8 | -169.5 | 169.9 | -147.2 | -2.7 | 106.4 | P1143 | P1143-R1145 PolarHBondContact O-N 3.23Å; P1143-R1145 VanDerWaalsContact O-N 3.1Å |
| 1146 | L | 33 | Very low | 30.2 | Very low | 134 Ų | 134 | 128.3 Ų | 128.3 | 70% | 0.702 | 76% | 0.755 | S | S | * | * | | | | 78.3 | 138.4 | 94.9 | -79.4 | 172.1 | 0 | 0 | 0 | 111.2 | L1148 | L1146-L1148 HydrophobicContact CD2-CD1 4.49Š|
| 1147 | P | 33.2 | Very low | 30.3 | Very low | 113 Ų | 113 | 128.3 Ų | 128.3 | 73% | 0.734 | 76% | 0.758 | S | S | * | * | | | cis | -113.2 | 158 | 31.7 | 39.1 | -32.9 | 0 | 0 | 0 | 116.6 | | |
| 1148 | L | 32.2 | Very low | 29.9 | Very low | 136 Ų | 136 | 129.7 Ų | 129.7 | 71% | 0.712 | 76% | 0.758 | S | S | * | * | | | trans | -86.3 | 127.4 | 147.1 | -95.3 | 70.4 | 0 | 0 | 0 | 107.5 | L1146 V1150 | L1146-L1148 HydrophobicContact CD2-CD1 4.49Å; L1148-V1150 HydrophobicContact CB-CG2 4Å; L1148-V1150 HydrophobicContact CD2-CG2 3.93Å; L1148-V1150 HydrophobicContact CG-CG2 4.24Å |
| 1149 | P | 38.1 | Very low | 29.8 | Very low | 110 Ų | 110 | 130.7 Ų | 130.7 | 71% | 0.714 | 76% | 0.756 | S | S | * | * | | | | -116.9 | 147.9 | 105.9 | -6.5 | 26.9 | 0 | 0 | 0 | 110.4 | | |
| 1150 | V | 31.4 | Very low | 30.3 | Very low | 109 Ų | 109 | 131.6 Ų | 131.6 | 66% | 0.661 | 76% | 0.76 | S | S | * | * | | | cis | 67.9 | 117.3 | 21.9 | -154.1 | 0 | 0 | 0 | 0 | 110.9 | L1148 | L1148-V1150 HydrophobicContact CB-CG2 4Å; L1148-V1150 HydrophobicContact CD2-CG2 3.93Å; L1148-V1150 HydrophobicContact CG-CG2 4.24Å |
| 1151 | S | 28.7 | Very low | 30.2 | Very low | 94 Ų | 94 | 132.6 Ų | 132.6 | 66% | 0.657 | 76% | 0.756 | S | S | * | * | | | cis | -151 | 155.2 | 42.8 | -41.9 | 0 | 0 | 0 | 0 | 113.9 | | |
| 1152 | T | 28.1 | Very low | 30 | Very low | 129 Ų | 129 | 132.6 Ų | 132.6 | 79% | 0.791 | 76% | 0.756 | S | S | * | * | | | trans | 39.4 | 140.7 | 138.2 | 56.6 | 0 | 0 | 0 | 0 | 122.1 | | |
| 1153 | S | 27.8 | Very low | 29.6 | Very low | 111 Ų | 111 | 134.4 Ų | 134.4 | 78% | 0.776 | 76% | 0.759 | S | S | * | * | | | cis | -166.6 | 150.8 | -4.5 | 42.8 | 0 | 0 | 0 | 0 | 111.4 | | |
| 1154 | I | 27.5 | Very low | 30.1 | Very low | 143 Ų | 143 | 133.9 Ų | 133.9 | 73% | 0.733 | 76% | 0.756 | S | S | * | * | | | trans | -76 | 149.7 | 170.8 | -59.4 | 156.4 | 0 | 0 | 0 | 109.4 | | |
| 1155 | F | 29.9 | Very low | 29.7 | Very low | 178 Ų | 178 | 133.5 Ų | 133.5 | 78% | 0.781 | 75% | 0.752 | S | S | * | * | | | | 167.3 | 113 | 123.4 | -97.6 | -80 | 0 | 0 | 0 | 115.3 | | |
| 1156 | T | 28.3 | Very low | 29.9 | Very low | 111 Ų | 111 | 130.1 Ų | 130.1 | 68% | 0.681 | 75% | 0.749 | S | S | * | * | | | trans | 41.2 | 118.5 | 140.8 | 56.7 | 0 | 0 | 0 | 0 | 123.3 | | |
| 1157 | S | 29.5 | Very low | 29.7 | Very low | 112 Ų | 112 | 131.9 Ų | 131.9 | 78% | 0.783 | 75% | 0.751 | S | S | * | * | | | | -168.4 | 118.3 | 120.7 | 43.2 | 0 | 0 | 0 | 0 | 108.7 | | |
| 1158 | N | 26.2 | Very low | 29.7 | Very low | 159 Ų | 159 | 133.1 Ų | 133.1 | 85% | 0.85 | 75% | 0.75 | S | S | * | * | | | | 74.9 | 113.1 | 76.7 | -77.6 | -9.2 | 0 | 0 | 0 | 115.9 | | |
| 1159 | K | 30.2 | Very low | 29.6 | Very low | 187 Ų | 187 | 131.9 Ų | 131.9 | 81% | 0.813 | 75% | 0.748 | S | S | * | * | | | trans | -55.1 | 158.9 | 158.8 | -82.5 | 178.5 | 180 | 178.5 | 0 | 111 | | |
| 1160 | P | 34.6 | Very low | 29.2 | Very low | 130 Ų | 130 | 133.4 Ų | 133.4 | 84% | 0.844 | 75% | 0.75 | S | S | * | * | | | | -146.2 | -167.1 | 56.1 | 40.9 | -19.1 | 0 | 0 | 0 | 117.8 | | |
| 1161 | L | 26.3 | Very low | 29.3 | Very low | 144 Ų | 144 | 136.1 Ų | 136.1 | 75% | 0.754 | 76% | 0.755 | S | S | * | * | | | trans | -88.8 | 166.2 | -164.8 | -99.3 | 64 | 0 | 0 | 0 | 115.5 | | |
| 1162 | S | 24.8 | Very low | 29.4 | Very low | 107 Ų | 107 | 137.7 Ų | 137.7 | 75% | 0.748 | 76% | 0.757 | S | S | * | * | | | trans | 65.4 | 121.8 | 146 | 60.2 | 0 | 0 | 0 | 0 | 120.1 | | |
| 1163 | N | 24.3 | Very low | 29.7 | Very low | 153 Ų | 153 | 141.5 Ų | 141.5 | 82% | 0.818 | 76% | 0.762 | S | S | * | * | | | | -150.5 | -160.2 | 89 | -143.8 | -11.7 | 0 | 0 | 0 | 110.3 | | |
| 1164 | P | 37.9 | Very low | 29.8 | Very low | 101 Ų | 101 | 143.2 Ų | 143.2 | 66% | 0.656 | 77% | 0.767 | S | S | * | * | | | trans | -115.1 | -156.7 | -130.4 | 43.7 | -28.7 | 0 | 0 | 0 | 114.7 | | |
| 1165 | T | 26.2 | Very low | 30.1 | Very low | 121 Ų | 121 | 141 Ų | 141 | 74% | 0.742 | 77% | 0.77 | S | S | * | * | | | trans | 109.6 | 157.2 | 162.5 | -37.4 | 0 | 0 | 0 | 0 | 115.2 | | |
| 1166 | I | 29.8 | Very low | 30.1 | Very low | 150 Ų | 150 | 139.2 Ų | 139.2 | 77% | 0.769 | 77% | 0.769 | S | S | * | * | | | trans | 80.4 | 135.5 | 166.7 | -53.8 | -177.3 | 0 | 0 | 0 | 115 | | |
| 1167 | K | 29.8 | Very low | 30 | Very low | 172 Ų | 172 | 141.4 Ų | 141.4 | 75% | 0.748 | 78% | 0.776 | S | S | * | * | | | cis | -176 | 164.9 | -28.7 | -118.6 | 176.9 | -177 | -176.2 | 0 | 108.8 | | |
| 1168 | I | 32.9 | Very low | 29.9 | Very low | 138 Ų | 138 | 141.8 Ų | 141.8 | 71% | 0.708 | 78% | 0.779 | S | S | * | * | | | trans | 65.4 | 105.8 | 149.8 | -65.5 | 165.2 | 0 | 0 | 0 | 119.3 | | |
| 1169 | T | 28.4 | Very low | 29.9 | Very low | 110 Ų | 110 | 141.1 Ų | 141.1 | 68% | 0.675 | 77% | 0.774 | S | S | * | * | | | | 42.8 | 118.6 | 112.2 | -32.2 | 0 | 0 | 0 | 0 | 122.4 | | |
| 1170 | D | 30.3 | Very low | 29.7 | Very low | 142 Ų | 142 | 139.6 Ų | 139.6 | 76% | 0.759 | 77% | 0.768 | S | S | * | * | | | trans | 59.9 | 133.4 | 140.4 | -55.2 | -20.8 | 0 | 0 | 0 | 126.6 | | |
| 1171 | E | 34.3 | Very low | 29.3 | Very low | 166 Ų | 166 | 140.3 Ų | 140.3 | 78% | 0.776 | 76% | 0.759 | S | S | * | * | | | trans | 98.3 | 141.5 | 132.8 | -102.7 | -170.2 | -133.6 | 0 | 0 | 123.9 | | |
| 1172 | N | 29.5 | Very low | 29.4 | Very low | 128 Ų | 128 | 136.3 Ų | 136.3 | 68% | 0.684 | 75% | 0.753 | S | S | * | * | | | trans | 61 | 100.5 | 162.4 | -65.7 | -55.4 | 0 | 0 | 0 | 120.9 | | |
| 1173 | K | 35.3 | Very low | 29.5 | Very low | 209 Ų | 209 | 135.1 Ų | 135.1 | 91% | 0.909 | 74% | 0.738 | S | S | * | * | | | | -166.8 | 147.8 | 104.4 | -103.9 | 158.4 | -174.2 | 171.1 | 0 | 114.3 | | |
| 1174 | V | 28.9 | Very low | 29.7 | Very low | 146 Ų | 146 | 130.6 Ų | 130.6 | 89% | 0.885 | 72% | 0.719 | S | S | * | * | | | trans | -88.1 | 132.3 | 174.4 | 178.1 | 0 | 0 | 0 | 0 | 110 | | |
| 1175 | A | 35.3 | Very low | 29.3 | Very low | 96 Ų | 96 | 130.3 Ų | 130.3 | 79% | 0.793 | 72% | 0.715 | S | S | * | * | | | trans | -147.2 | 154.8 | 169.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 1176 | N | 28.8 | Very low | 29.5 | Very low | 142 Ų | 142 | 129 Ų | 129 | 76% | 0.759 | 71% | 0.711 | S | S | * | * | | | trans | -93 | 141.2 | -162.3 | -89 | -55.2 | 0 | 0 | 0 | 115.8 | | |
| 1177 | L | 27 | Very low | 29.4 | Very low | 157 Ų | 157 | 133 Ų | 133 | 82% | 0.822 | 72% | 0.716 | S | S | * | * | | | trans | 46.5 | 104.8 | 137.1 | -58.7 | 167.2 | 0 | 0 | 0 | 119.6 | | |
| 1178 | S | 26.9 | Very low | 29.6 | Very low | 120 Ų | 120 | 131.7 Ų | 131.7 | 84% | 0.839 | 72% | 0.717 | S | S | * | * | | | trans | -162.6 | 168.5 | 132.8 | -155.3 | 0 | 0 | 0 | 0 | 114.3 | | |
| 1179 | L | 27.1 | Very low | 29.3 | Very low | 145 Ų | 145 | 129.5 Ų | 129.5 | 76% | 0.759 | 71% | 0.714 | S | S | * | * | | | trans | -44.5 | 140 | -165.1 | -87.5 | 65.4 | 0 | 0 | 0 | 120.8 | | |
| 1180 | K | 26.2 | Very low | 29.7 | Very low | 154 Ų | 154 | 131.4 Ų | 131.4 | 67% | 0.67 | 73% | 0.726 | S | S | * | * | | | | 21.6 | 118 | 124.2 | -60 | 178.7 | 173.9 | 178.9 | 0 | 119.3 | | |
| 1181 | H | 26.1 | Very low | 29.5 | Very low | 145 Ų | 145 | 133.4 Ų | 133.4 | 67% | 0.671 | 73% | 0.731 | S | S | * | * | | | | 154.9 | 120.2 | 103.4 | -88.5 | -56.7 | 0 | 0 | 0 | 112.6 | I1624 | H1181-I1624 WeakPolarHBondContact ND1-CD1 3.18Š|
| 1182 | G | 26.8 | Very low | 29.7 | Very low | 61 Ų | 61 | 129.9 Ų | 129.9 | 63% | 0.629 | 72% | 0.722 | S | S | * | * | | | trans | -171.3 | 100.7 | 171.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 1183 | N | 27.3 | Very low | 29.6 | Very low | 81 Ų | 81 | 129.3 Ų | 129.3 | 43% | 0.433 | 73% | 0.728 | S | S | . | * | | | trans | 39.8 | 125.5 | 141.1 | -79.3 | -6.2 | 0 | 0 | 0 | 121.1 | I1624 | N1183-I1624 CarbonylContact C-O 3.45Å; N1183-I1624 VanDerWaalsContact CA-O 3.32Å; N1183-I1624 WeakPolarHBondContact CA-O 3.27Å |
| 1184 | S | 29 | Very low | 29.4 | Very low | 58 Ų | 58 | 123.3 Ų | 123.3 | 41% | 0.406 | 72% | 0.718 | S | S | . | * | | | | 134.7 | 72.4 | 105.1 | 65.2 | 0 | 0 | 0 | 0 | 118.8 | S1186 I1624 R1625 | S1184-S1186 PolarHBondContact O-N 3.42Å; S1184-S1186 VanDerWaalsContact O-N 3.14Å; S1184-I1624 WeakPolarHBondContact CA-O 3.47Å; S1184-I1624 PolarHBondContact N-O 2.78Å; S1184-R1625 PolarHBondContact O-NH2 3.16Å |
| 1185 | V | 29.9 | Very low | 29.2 | Very low | 96 Ų | 96 | 123.4 Ų | 123.4 | 58% | 0.582 | 71% | 0.713 | S | S | * | * | | | trans | -48.5 | 119.4 | 166.5 | -177.5 | 0 | 0 | 0 | 0 | 112 | F1623 R1625 | V1185-F1623 HydrophobicContact CG2-CB 3.58Å; V1185-F1623 HydrophobicContact CG2-CG 4.46Å; V1185-R1625 VanDerWaalsContact C-NH2 3.27Å; V1185-R1625 PolarHBondContact O-NE 3.04Å; V1185-R1625 PolarHBondContact O-NH2 3.09Å |
| 1186 | S | 29.6 | Very low | 29 | Very low | 93 Ų | 93 | 126.3 Ų | 126.3 | 65% | 0.65 | 71% | 0.714 | S | S | * | * | | | trans | -112 | 147.9 | 172.9 | -87.5 | 0 | 0 | 0 | 0 | 111.2 | S1184 R1625 | S1184-S1186 PolarHBondContact O-N 3.42Å; S1184-S1186 VanDerWaalsContact O-N 3.14Å; S1186-R1625 PolarHBondContact OG-NH2 3.28Å |
| 1187 | R | 27.7 | Very low | 29.2 | Very low | 233 Ų | 233 | 126 Ų | 126 | 88% | 0.879 | 72% | 0.717 | S | S | * | * | | | trans | -24.7 | 131.8 | 168.3 | -60.9 | 166 | 173.4 | 164.1 | -5.2 | 116.1 | | |
| 1188 | D | 34.1 | Very low | 29.2 | Very low | 145 Ų | 145 | 126.1 Ų | 126.1 | 78% | 0.775 | 72% | 0.719 | S | S | * | * | | | | -150.3 | 152.1 | 96.2 | -89.8 | -40.2 | 0 | 0 | 0 | 108.5 | | |
| 1189 | S | 27.3 | Very low | 29.4 | Very low | 92 Ų | 92 | 124 Ų | 124 | 64% | 0.643 | 71% | 0.709 | S | S | * | * | | | cis | 88.4 | 82.7 | 23.6 | 116 | 0 | 0 | 0 | 0 | 115.8 | | |
| 1190 | T | 35.6 | Very low | 29.4 | Very low | 150 Ų | 150 | 126.2 Ų | 126.2 | 92% | 0.92 | 71% | 0.712 | S | S | * | * | | | trans | -172.6 | 121.2 | 132.6 | 37 | 0 | 0 | 0 | 0 | 111.3 | | |
| 1191 | Q | 26.1 | Very low | 29.8 | Very low | 184 Ų | 184 | 127.4 Ų | 127.4 | 86% | 0.86 | 72% | 0.72 | S | S | * | * | | | trans | -90.2 | -176.2 | 157.6 | -108.8 | -164.1 | -41 | 0 | 0 | 108.7 | | |
| 1192 | P | 38.6 | Very low | 29.9 | Very low | 92 Ų | 92 | 125.9 Ų | 125.9 | 60% | 0.597 | 72% | 0.717 | S | S | * | * | | | cis | -139.4 | -170.4 | -38 | 38.6 | -21.3 | 0 | 0 | 0 | 112.5 | | |
| 1193 | S | 28.1 | Very low | 30.1 | Very low | 116 Ų | 116 | 131.2 Ų | 131.2 | 81% | 0.811 | 72% | 0.723 | S | S | * | * | | | trans | 66.5 | 163.4 | 143.3 | -69.1 | 0 | 0 | 0 | 0 | 120 | | |
| 1194 | A | 30.4 | Very low | 30.4 | Very low | 83 Ų | 83 | 135 Ų | 135 | 69% | 0.686 | 74% | 0.743 | S | S | * | * | | | cis | -157.3 | 138.8 | -29.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 1195 | N | 25.6 | Very low | 30.5 | Very low | 148 Ų | 148 | 143.5 Ų | 143.5 | 79% | 0.791 | 77% | 0.766 | S | S | * | * | | | trans | 0.8 | 117.8 | 136.1 | -178.5 | 18.1 | 0 | 0 | 0 | 118 | | |
| 1196 | I | 31.7 | Very low | 30.7 | Very low | 157 Ų | 157 | 144.8 Ų | 144.8 | 81% | 0.805 | 78% | 0.776 | S | S | * | * | | | trans | -159.5 | 121.3 | 141.6 | -88.5 | 136.4 | 0 | 0 | 0 | 108.3 | | |
| 1197 | T | 32.3 | Very low | 30.9 | Very low | 136 Ų | 136 | 147.3 Ų | 147.3 | 83% | 0.834 | 79% | 0.788 | S | S | * | * | | | trans | -164.1 | 138.8 | 141 | -65.9 | 0 | 0 | 0 | 0 | 107.3 | | |
| 1198 | N | 26.7 | Very low | 31 | Very low | 159 Ų | 159 | 139.3 Ų | 139.3 | 85% | 0.85 | 78% | 0.778 | S | S | * | * | | | trans | -150.9 | 160.1 | -178 | -155.4 | -16.1 | 0 | 0 | 0 | 110.9 | | |
| 1199 | A | 31.4 | Very low | 30.8 | Very low | 76 Ų | 76 | 140.6 Ų | 140.6 | 63% | 0.628 | 78% | 0.784 | S | S | * | * | | | trans | 77.2 | 115.1 | 169.4 | 0 | 0 | 0 | 0 | 0 | 121.1 | | |
| 1200 | K | 27.8 | Very low | 31 | Very low | 192 Ų | 192 | 142.6 Ų | 142.6 | 84% | 0.835 | 79% | 0.788 | S | S | * | * | | | | 60 | 111.7 | 129.4 | -59.5 | 174.8 | 179.6 | 176.5 | 0 | 120.8 | | |
| 1201 | H | 33.3 | Very low | 30.6 | Very low | 179 Ų | 179 | 143.7 Ų | 143.7 | 83% | 0.829 | 78% | 0.78 | S | S | * | * | | | | -173.6 | 172.8 | 104.6 | -116 | -114.3 | 0 | 0 | 0 | 111.2 | | |
| 1202 | N | 29 | Very low | 30.8 | Very low | 113 Ų | 113 | 144.1 Ų | 144.1 | 60% | 0.604 | 78% | 0.784 | S | S | * | * | | | | -163.5 | 133 | -69.4 | -163.6 | 1.2 | 0 | 0 | 0 | 108.2 | | |
| 1203 | K | 30.8 | Very low | 30.4 | Very low | 173 Ų | 173 | 145.5 Ų | 145.5 | 75% | 0.752 | 79% | 0.791 | S | S | * | * | | | trans | 57.9 | 119.1 | 172.7 | -54.4 | 176.9 | -177 | 179.4 | 0 | 118.8 | | |
| 1204 | N | 34.3 | Very low | 30.5 | Very low | 161 Ų | 161 | 149 Ų | 149 | 86% | 0.861 | 80% | 0.795 | S | S | * | * | | | | -176.3 | 146.1 | 99.5 | -98.3 | -24.4 | 0 | 0 | 0 | 115.5 | | |
| 1205 | R | 30.9 | Very low | 30.5 | Very low | 235 Ų | 235 | 154.9 Ų | 154.9 | 89% | 0.887 | 81% | 0.805 | S | S | * | * | | | trans | 88.6 | 108 | 168.9 | -153.5 | 166.8 | -165.9 | 146.5 | 3.8 | 117.3 | | |
| 1206 | P | 33.2 | Very low | 30.7 | Very low | 124 Ų | 124 | 153.4 Ų | 153.4 | 81% | 0.805 | 81% | 0.806 | S | S | * | * | | | trans | -81.9 | 153.4 | 179.9 | 33.6 | -35 | 0 | 0 | 0 | 113.3 | | |
| 1207 | T | 34.8 | Very low | 30.8 | Very low | 145 Ų | 145 | 154 Ų | 154 | 89% | 0.89 | 81% | 0.805 | S | S | * | * | | | trans | -79.5 | 156 | 170.9 | 43.6 | 0 | 0 | 0 | 0 | 112.2 | | |
| 1208 | G | 29.2 | Very low | 30.7 | Very low | 66 Ų | 66 | 154.6 Ų | 154.6 | 68% | 0.68 | 80% | 0.802 | S | S | * | * | | | trans | -124.3 | 147.9 | 165.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 1209 | L | 30 | Very low | 31.2 | Very low | 172 Ų | 172 | 154.2 Ų | 154.2 | 90% | 0.901 | 80% | 0.799 | S | S | * | * | | | trans | 28.3 | 94.2 | 171.9 | -82.4 | 60.9 | 0 | 0 | 0 | 116 | | |
| 1210 | N | 30.2 | Very low | 31.3 | Very low | 133 Ų | 133 | 154.1 Ų | 154.1 | 71% | 0.711 | 79% | 0.788 | S | S | * | * | | | | 50.4 | 102.4 | 73.3 | -77.1 | 8.1 | 0 | 0 | 0 | 116.2 | | |
| 1211 | F | 28.7 | Very low | 31.7 | Very low | 173 Ų | 173 | 148.5 Ų | 148.5 | 76% | 0.759 | 77% | 0.767 | S | S | * | * | | | trans | 46.3 | 100.2 | 137.4 | -55.5 | -73.7 | 0 | 0 | 0 | 120 | | |
| 1212 | M | 28.9 | Very low | 31.5 | Very low | 193 Ų | 193 | 144.2 Ų | 144.2 | 95% | 0.951 | 76% | 0.757 | S | S | * | * | | | trans | -111.7 | 113.3 | 133.3 | -73.9 | 178.6 | 65.1 | 0 | 0 | 107.5 | | |
| 1213 | T | 32.1 | Very low | 31.6 | Very low | 121 Ų | 121 | 146.1 Ų | 146.1 | 74% | 0.742 | 76% | 0.762 | S | S | * | * | | | trans | -155.4 | 71.8 | -178.1 | -39.2 | 0 | 0 | 0 | 0 | 111.8 | | |
| 1214 | E | 30.1 | Very low | 31.6 | Very low | 189 Ų | 189 | 146.8 Ų | 146.8 | 88% | 0.883 | 77% | 0.771 | S | S | * | * | | | trans | -107.6 | 114.6 | 162.8 | -72.4 | -177.7 | 132.9 | 0 | 0 | 108.7 | | |
| 1215 | K | 28.9 | Very low | 31.6 | Very low | 208 Ų | 208 | 146.7 Ų | 146.7 | 90% | 0.904 | 77% | 0.769 | S | S | * | * | | | trans | 178.6 | 59.7 | 162.5 | -105.7 | 166.3 | -177.1 | -177.9 | 0 | 113.1 | | |
| 1216 | S | 29.8 | Very low | 31.5 | Very low | 117 Ų | 117 | 144.1 Ų | 144.1 | 82% | 0.818 | 77% | 0.772 | S | S | * | * | | | trans | -161.1 | 142.3 | 171 | -41.5 | 0 | 0 | 0 | 0 | 106.4 | | |
| 1217 | E | 34.5 | Very low | 31.2 | Very low | 169 Ų | 169 | 146.3 Ų | 146.3 | 79% | 0.79 | 77% | 0.769 | S | S | * | * | | | cis | -134.2 | 139 | 3.5 | -65.2 | 177.4 | 113.5 | 0 | 0 | 108 | | |
| 1218 | I | 30.3 | Very low | 31.1 | Very low | 148 Ų | 148 | 147.3 Ų | 147.3 | 76% | 0.759 | 76% | 0.763 | S | S | * | * | | | | 43.7 | 112.6 | 100.5 | -46.7 | 169.9 | 0 | 0 | 0 | 114 | | |
| 1219 | L | 36.1 | Very low | 31.1 | Very low | 152 Ų | 152 | 152.7 Ų | 152.7 | 80% | 0.796 | 78% | 0.775 | S | S | * | * | | | | -175 | 119.8 | 119.9 | -100.3 | 168.1 | 0 | 0 | 0 | 109.2 | | |
| 1220 | D | 34.4 | Very low | 31.1 | Very low | 73 Ų | 73 | 149.7 Ų | 149.7 | 39% | 0.39 | 77% | 0.769 | S | S | . | * | | | trans | -139.5 | 139.9 | 155.7 | -151.4 | 15.6 | 0 | 0 | 0 | 109.5 | S1450 | D1220-S1450 PolarHBondContact OD1-N 3.45Å; D1220-S1450 PolarHBondContact OD1-OG 2.72Å; D1220-S1450 PolarHBondContact OD2-N 2.56Å |
| 1221 | D | 35.1 | Very low | 31.5 | Very low | 74 Ų | 74 | 149 Ų | 149 | 40% | 0.396 | 77% | 0.772 | S | S | . | * | | | trans | 50.3 | 156.4 | -176.9 | -69.1 | -44.5 | 0 | 0 | 0 | 121.9 | N1448 | D1221-N1448 PolarHBondContact OD2-ND2 2.91Š|
| 1222 | S | 29.1 | Very low | 31.6 | Very low | 89 Ų | 89 | 147.9 Ų | 147.9 | 62% | 0.622 | 77% | 0.774 | S | S | * | * | | | trans | -121.5 | -179.8 | -168.4 | 57.4 | 0 | 0 | 0 | 0 | 111.6 | | |
| 1223 | Q | 32.7 | Very low | 31.6 | Very low | 153 Ų | 153 | 145.7 Ų | 145.7 | 72% | 0.715 | 77% | 0.766 | S | S | * | * | | | trans | 77.6 | 56 | 167.9 | -46 | -162.8 | 34.8 | 0 | 0 | 118.4 | | |
| 1224 | M | 30.7 | Very low | 31.5 | Very low | 188 Ų | 188 | 147.1 Ų | 147.1 | 93% | 0.926 | 76% | 0.764 | S | S | * | * | | | trans | -124.4 | 40.1 | 151.2 | -88 | -69.7 | 173.5 | 0 | 0 | 112.5 | | |
| 1225 | L | 33.9 | Very low | 31.5 | Very low | 159 Ų | 159 | 148.2 Ų | 148.2 | 83% | 0.832 | 77% | 0.766 | S | S | * | * | | | trans | -130.5 | 60.4 | 175.3 | -81.8 | 177.3 | 0 | 0 | 0 | 113.1 | | |
| 1226 | L | 28.1 | Very low | 31.4 | Very low | 181 Ų | 181 | 145.5 Ų | 145.5 | 95% | 0.948 | 76% | 0.757 | S | S | * | * | | | trans | -116.5 | 61.2 | 155.8 | -134.8 | 88.5 | 0 | 0 | 0 | 110.6 | | |
| 1227 | K | 28 | Very low | 31.3 | Very low | 169 Ų | 169 | 145.6 Ų | 145.6 | 74% | 0.735 | 76% | 0.756 | S | S | * | * | | | trans | -156.3 | 139.9 | 174.6 | -116.4 | 164.1 | -170.3 | 167.9 | 0 | 111.5 | | |
| 1228 | H | 33 | Very low | 31 | Very low | 167 Ų | 167 | 143.8 Ų | 143.8 | 77% | 0.773 | 76% | 0.757 | S | S | * | * | | | trans | 67.9 | 56.9 | 170 | -49.9 | -64.5 | 0 | 0 | 0 | 118.5 | | |
| 1229 | L | 29.3 | Very low | 30.9 | Very low | 178 Ų | 178 | 144.3 Ų | 144.3 | 93% | 0.932 | 76% | 0.761 | S | S | * | * | | | trans | -122.4 | 106.3 | 131.8 | -75.3 | 179.9 | 0 | 0 | 0 | 109.4 | | |
| 1230 | S | 28.8 | Very low | 30.4 | Very low | 110 Ų | 110 | 140.5 Ų | 140.5 | 77% | 0.769 | 76% | 0.759 | S | S | * | * | | | trans | -146.6 | 152.3 | 171.6 | -116.9 | 0 | 0 | 0 | 0 | 107.9 | | |
| 1231 | P | 38.3 | Very low | 30 | Very low | 119 Ų | 119 | 143 Ų | 143 | 77% | 0.773 | 78% | 0.78 | S | S | * | * | | | | -106.3 | 159.6 | -112.5 | -2.3 | 22.6 | 0 | 0 | 0 | 113.4 | | |
| 1232 | N | 31.5 | Very low | 29.6 | Very low | 148 Ų | 148 | 145.8 Ų | 145.8 | 79% | 0.791 | 80% | 0.8 | S | S | * | * | | | trans | -125.9 | 121.1 | 166.4 | -89.9 | -57.3 | 0 | 0 | 0 | 111.2 | | |
| 1233 | N | 29.2 | Very low | 29.6 | Very low | 147 Ų | 147 | 148 Ų | 148 | 79% | 0.786 | 81% | 0.81 | S | S | * | * | | | trans | 65.4 | 109.8 | 158.4 | -59.2 | -15.7 | 0 | 0 | 0 | 119.1 | | |
| 1234 | E | 29.6 | Very low | 29.4 | Very low | 151 Ų | 151 | 146 Ų | 146 | 71% | 0.706 | 81% | 0.807 | S | S | * | * | | | trans | -48.4 | 148.1 | 165.9 | -54.6 | 161.4 | 84.3 | 0 | 0 | 114.2 | Q1236 | E1234-Q1236 HydrophobicContact CB-CG 4.43Å; E1234-Q1236 PolarHBondContact OE1-NE2 2.89Å |
| 1235 | F | 29.8 | Very low | 29.2 | Very low | 213 Ų | 213 | 142.9 Ų | 142.9 | 93% | 0.934 | 80% | 0.799 | S | S | * | * | | | trans | -110.9 | 114.5 | 147.3 | -98.3 | -90.9 | 0 | 0 | 0 | 108.6 | | |
| 1236 | Q | 26.7 | Very low | 29.1 | Very low | 151 Ų | 151 | 141.9 Ų | 141.9 | 71% | 0.706 | 80% | 0.799 | S | S | * | * | | | trans | -93.9 | 118 | 172.9 | -66.2 | -174.7 | 4.2 | 0 | 0 | 110.6 | E1234 | E1234-Q1236 HydrophobicContact CB-CG 4.43Å; E1234-Q1236 PolarHBondContact OE1-NE2 2.89Å |
| 1237 | C | 27.8 | Very low | 29.3 | Very low | 119 Ų | 119 | 138.4 Ų | 138.4 | 80% | 0.804 | 79% | 0.786 | S | S | * | * | | | trans | -142.6 | 89.3 | 162.9 | -81.7 | 0 | 0 | 0 | 0 | 106.7 | | |
| 1238 | V | 29.1 | Very low | 29.4 | Very low | 131 Ų | 131 | 136.7 Ų | 136.7 | 79% | 0.794 | 79% | 0.79 | S | S | * | * | | | | 70.5 | 100.9 | 91.6 | 175.8 | 0 | 0 | 0 | 0 | 112.7 | | |
| 1239 | N | 27 | Very low | 29.2 | Very low | 158 Ų | 158 | 134.6 Ų | 134.6 | 85% | 0.845 | 79% | 0.792 | S | S | * | * | | | trans | 34.3 | 107.6 | 154 | -67.3 | -1.6 | 0 | 0 | 0 | 120.1 | | |
| 1240 | G | 26.4 | Very low | 29.4 | Very low | 73 Ų | 73 | 134.6 Ų | 134.6 | 75% | 0.753 | 79% | 0.788 | S | S | * | * | | | | 80.9 | 100.8 | 99.8 | 0 | 0 | 0 | 0 | 0 | 117.9 | | |
| 1241 | C | 25.3 | Very low | 29.6 | Very low | 124 Ų | 124 | 137.7 Ų | 137.7 | 84% | 0.838 | 80% | 0.795 | S | S | * | * | | | trans | -132 | 92.5 | 156.8 | -84.2 | 0 | 0 | 0 | 0 | 109.5 | V1243 | C1241-V1243 PolarHBondContact O-N 3.26Š|
| 1242 | T | 26.8 | Very low | 29.3 | Very low | 134 Ų | 134 | 137.1 Ų | 137.1 | 82% | 0.822 | 79% | 0.789 | S | S | * | * | | | trans | -74.2 | 91.9 | 174.9 | -38.1 | 0 | 0 | 0 | 0 | 109.5 | V1244 | T1242-V1244 HydrophobicContact CG2-CG2 4.35Å; T1242-V1244 PolarHBondContact O-N 2.89Å |
| 1243 | V | 30.3 | Very low | 29.5 | Very low | 135 Ų | 135 | 138.8 Ų | 138.8 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | | | trans | -82.5 | 99.3 | 173.6 | -178.1 | 0 | 0 | 0 | 0 | 108.8 | C1241 | C1241-V1243 PolarHBondContact O-N 3.26Š|
| 1244 | V | 28.5 | Very low | 29.4 | Very low | 110 Ų | 110 | 137.8 Ų | 137.8 | 67% | 0.667 | 80% | 0.795 | S | S | * | * | | | trans | -77.2 | 129.3 | 174.6 | 177.1 | 0 | 0 | 0 | 0 | 109.9 | T1242 | T1242-V1244 HydrophobicContact CG2-CG2 4.35Å; T1242-V1244 PolarHBondContact O-N 2.89Å |
| 1245 | V | 26.3 | Very low | 29.4 | Very low | 123 Ų | 123 | 141.4 Ų | 141.4 | 75% | 0.745 | 80% | 0.804 | S | S | * | * | | | trans | 2 | 114.2 | 161.9 | -172.5 | 0 | 0 | 0 | 0 | 116.7 | | |
| 1246 | T | 31.1 | Very low | 29.7 | Very low | 138 Ų | 138 | 136.2 Ų | 136.2 | 85% | 0.847 | 79% | 0.792 | S | S | * | * | | | trans | -127.3 | 139.5 | 149.3 | 48.5 | 0 | 0 | 0 | 0 | 109.9 | | |
| 1247 | T | 32.2 | Very low | 29.9 | Very low | 109 Ų | 109 | 137.2 Ų | 137.2 | 67% | 0.669 | 80% | 0.801 | S | S | * | * | | | trans | -83.3 | 144.9 | -165.2 | 48.5 | 0 | 0 | 0 | 0 | 114.4 | | |
| 1248 | T | 30.9 | Very low | 30.2 | Very low | 132 Ų | 132 | 136.5 Ų | 136.5 | 81% | 0.81 | 80% | 0.796 | S | S | * | * | | | trans | 33.6 | 90.9 | 146.8 | 59.1 | 0 | 0 | 0 | 0 | 117.5 | | |
| 1249 | C | 29.2 | Very low | 30.3 | Very low | 123 Ų | 123 | 137.6 Ų | 137.6 | 83% | 0.831 | 80% | 0.796 | S | S | * | * | | | trans | -93.9 | 120.2 | 161.2 | -72 | 0 | 0 | 0 | 0 | 110.1 | | |
| 1250 | Q | 32.5 | Very low | 30.4 | Very low | 178 Ų | 178 | 136.4 Ų | 136.4 | 83% | 0.832 | 79% | 0.787 | S | S | * | * | | | trans | -75.2 | 125.3 | 171.5 | -69.4 | 176.3 | -24.2 | 0 | 0 | 109.9 | T1252 | Q1250-T1252 PolarHBondContact O-N 3.09Š|
| 1251 | L | 33 | Very low | 30.7 | Very low | 176 Ų | 176 | 139.7 Ų | 139.7 | 92% | 0.921 | 79% | 0.787 | S | S | * | * | | | trans | -92.6 | 74.2 | 179 | -81.7 | 165.1 | 0 | 0 | 0 | 111.3 | | |
| 1252 | T | 31.6 | Very low | 30.8 | Very low | 107 Ų | 107 | 143.2 Ų | 143.2 | 66% | 0.656 | 78% | 0.783 | S | S | * | * | | | trans | -126.2 | 54.3 | -178.4 | 42.1 | 0 | 0 | 0 | 0 | 112.9 | Q1250 | Q1250-T1252 PolarHBondContact O-N 3.09Š|
| 1253 | H | 35.4 | Very low | 31.1 | Very low | 182 Ų | 182 | 142.8 Ų | 142.8 | 84% | 0.843 | 78% | 0.78 | S | S | * | * | | | trans | -124.5 | 130.4 | 169.6 | -72.2 | -21.8 | 0 | 0 | 0 | 111.8 | | |
| 1254 | C | 28.6 | Very low | 31.3 | Very low | 127 Ų | 127 | 143.6 Ų | 143.6 | 86% | 0.858 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -76 | 143 | -173.3 | -53.8 | 0 | 0 | 0 | 0 | 112.2 | | |
| 1255 | Y | 29.3 | Very low | 31.4 | Very low | 226 Ų | 226 | 144.1 Ų | 144.1 | 89% | 0.886 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -72.1 | 133.9 | 165.9 | -79 | -90.1 | 0 | 0 | 0 | 110.4 | | |
| 1256 | P | 36.6 | Very low | 31.6 | Very low | 105 Ų | 105 | 146.7 Ų | 146.7 | 68% | 0.682 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -79 | 130.8 | -175.4 | 30.1 | -34.4 | 0 | 0 | 0 | 112.7 | C1258 | P1256-C1258 PolarHBondContact O-N 3.24Å; P1256-C1258 PolarHBondContact O-SG 3.29Å |
| 1257 | L | 30.8 | Very low | 31.4 | Very low | 172 Ų | 172 | 147.4 Ų | 147.4 | 90% | 0.901 | 79% | 0.792 | S | S | * | * | | | trans | -67 | 92.9 | 169.3 | -88.8 | 162.1 | 0 | 0 | 0 | 110.7 | I1259 | L1257-I1259 PolarHBondContact O-N 2.74Å; L1257-I1259 VanDerWaalsContact O-N 3.1Å |
| 1258 | C | 32.9 | Very low | 31.2 | Very low | 104 Ų | 104 | 149.9 Ų | 149.9 | 70% | 0.703 | 80% | 0.796 | S | S | * | * | | | trans | -76.6 | 94 | 176.3 | -63.2 | 0 | 0 | 0 | 0 | 110.4 | P1256 M1260 | P1256-C1258 PolarHBondContact O-N 3.24Å; P1256-C1258 PolarHBondContact O-SG 3.29Å; C1258-M1260 PolarHBondContact O-N 3.23Å |
| 1259 | I | 32.4 | Very low | 31.2 | Very low | 153 Ų | 153 | 148.7 Ų | 148.7 | 79% | 0.785 | 79% | 0.789 | S | S | * | * | | | trans | -67.3 | 113.7 | 171.2 | -62.1 | 177.5 | 0 | 0 | 0 | 108.5 | L1257 D1261 | L1257-I1259 PolarHBondContact O-N 2.74Å; L1257-I1259 VanDerWaalsContact O-N 3.1Å; I1259-D1261 PolarHBondContact O-N 3.01Å |
| 1260 | M | 29.1 | Very low | 31.2 | Very low | 133 Ų | 133 | 148.1 Ų | 148.1 | 66% | 0.655 | 78% | 0.778 | S | S | * | * | | | trans | -84.8 | 89.3 | -177.6 | -78.3 | -82.4 | -73 | 0 | 0 | 111.2 | C1258 R1262 | C1258-M1260 PolarHBondContact O-N 3.23Å; M1260-R1262 PolarHBondContact O-N 2.94Å |
| 1261 | D | 31.2 | Very low | 30.9 | Very low | 143 Ų | 143 | 143 Ų | 143 | 77% | 0.765 | 76% | 0.761 | S | S | * | * | | | trans | -61.4 | 103.4 | 167.9 | -95.7 | -37.9 | 0 | 0 | 0 | 110.6 | I1259 | I1259-D1261 PolarHBondContact O-N 3.01Š|
| 1262 | R | 28.8 | Very low | 30.7 | Very low | 197 Ų | 197 | 140.4 Ų | 140.4 | 74% | 0.743 | 74% | 0.744 | S | S | * | * | | | trans | -105.3 | 65 | 176.3 | -76.7 | -173.7 | 167.9 | -179.4 | -1.2 | 111.3 | M1260 L1264 | M1260-R1262 PolarHBondContact O-N 2.94Å; R1262-L1264 PolarHBondContact O-N 3.38Å |
| 1263 | T | 32.8 | Very low | 30.7 | Very low | 125 Ų | 125 | 142.5 Ų | 142.5 | 77% | 0.767 | 75% | 0.746 | S | S | * | * | | | trans | -70.5 | 107.9 | 165.8 | 41 | 0 | 0 | 0 | 0 | 109.6 | | |
| 1264 | L | 33.6 | Very low | 30.5 | Very low | 153 Ų | 153 | 139.8 Ų | 139.8 | 80% | 0.801 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -70.8 | 147.1 | 173 | -96.9 | 86.1 | 0 | 0 | 0 | 110.9 | R1262 L1266 | R1262-L1264 PolarHBondContact O-N 3.38Å; L1264-L1266 PolarHBondContact O-N 3.36Å |
| 1265 | P | 31.3 | Very low | 30.4 | Very low | 121 Ų | 121 | 140.7 Ų | 140.7 | 79% | 0.786 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 131.5 | -174.7 | 28.2 | -34.7 | 0 | 0 | 0 | 112.4 | | |
| 1266 | L | 30.9 | Very low | 30.6 | Very low | 176 Ų | 176 | 136.3 Ų | 136.3 | 92% | 0.921 | 72% | 0.722 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 137.6 | 159.4 | -78.6 | 155.1 | 0 | 0 | 0 | 109.1 | L1264 | L1264-L1266 PolarHBondContact O-N 3.36Š|
| 1267 | N | 27.4 | Very low | 30.1 | Very low | 153 Ų | 153 | 139.8 Ų | 139.8 | 82% | 0.818 | 73% | 0.729 | S | S | * | * | | | trans | -111.9 | 152.7 | 166 | -161.7 | 7.2 | 0 | 0 | 0 | 109.8 | | |
| 1268 | E | 27.7 | Very low | 30.4 | Very low | 161 Ų | 161 | 138.7 Ų | 138.7 | 75% | 0.752 | 73% | 0.729 | S | S | * | * | | | trans | -75.4 | 157.4 | -162.4 | -55.6 | 175.8 | 126.2 | 0 | 0 | 113.5 | | |
| 1269 | T | 30.4 | Very low | 30.2 | Very low | 108 Ų | 108 | 141.1 Ų | 141.1 | 66% | 0.663 | 74% | 0.735 | S | S | * | * | | | | 162.8 | 159.4 | 98.1 | 46.9 | 0 | 0 | 0 | 0 | 112.9 | | |
| 1270 | N | 29.3 | Very low | 30.3 | Very low | 111 Ų | 111 | 141.6 Ų | 141.6 | 59% | 0.594 | 74% | 0.738 | S | S | * | * | | | trans | 79 | 146.1 | 144.7 | -65.3 | -32.3 | 0 | 0 | 0 | 122.3 | P1665 | N1270-P1665 HydrophobicContact CB-CB 3.48Å; N1270-P1665 VanDerWaalsContact CB-CB 3.48Å; N1270-P1665 HydrophobicContact CB-CG 3.4Å; N1270-P1665 VanDerWaalsContact CB-CG 3.4Å; N1270-P1665 VanDerWaalsContact CG-CG 3.4Å; N1270-P1665 WeakPolarHBondContact OD1-CG 3.42Å |
| 1271 | S | 26.2 | Very low | 30.3 | Very low | 70 Ų | 70 | 138.5 Ų | 138.5 | 49% | 0.49 | 74% | 0.74 | S | S | . | * | | | | -166.1 | 155.6 | -55.8 | -158.8 | 0 | 0 | 0 | 0 | 110.4 | | |
| 1272 | H | 28.4 | Very low | 30.3 | Very low | 122 Ų | 122 | 138.9 Ų | 138.9 | 57% | 0.565 | 75% | 0.747 | S | S | * | * | | | trans | 62.8 | 160.4 | 166 | -52 | -58.6 | 0 | 0 | 0 | 117.7 | N1664 | H1272-N1664 PolarHBondContact CD2-OD1 2.65Š|
| 1273 | H | 31.8 | Very low | 30.2 | Very low | 151 Ų | 151 | 136.5 Ų | 136.5 | 70% | 0.699 | 75% | 0.748 | S | S | * | * | | | cis | -152.8 | 152 | 12.8 | -120.8 | -61.3 | 0 | 0 | 0 | 110.8 | | |
| 1274 | N | 30.8 | Very low | 29.9 | Very low | 124 Ų | 124 | 137.3 Ų | 137.3 | 66% | 0.663 | 75% | 0.746 | S | S | * | * | | | trans | 56.3 | 168.2 | 150.6 | -73.4 | 34.4 | 0 | 0 | 0 | 121 | | |
| 1275 | E | 26.5 | Very low | 29.7 | Very low | 146 Ų | 146 | 136.7 Ų | 136.7 | 68% | 0.682 | 75% | 0.748 | S | S | * | * | | | cis | -178.7 | 158.2 | -49 | -116.1 | -178.8 | 174.5 | 0 | 0 | 108.1 | | |
| 1276 | N | 33.1 | Very low | 29.4 | Very low | 135 Ų | 135 | 137.1 Ų | 137.1 | 72% | 0.722 | 74% | 0.744 | S | S | * | * | | | trans | 67.9 | 128.2 | 175.8 | -50.1 | -48 | 0 | 0 | 0 | 115.8 | | |
| 1277 | Q | 25.8 | Very low | 29.5 | Very low | 178 Ų | 178 | 136.6 Ų | 136.6 | 83% | 0.832 | 74% | 0.742 | S | S | * | * | | | cis | 97.7 | 100.6 | 30.3 | -173.6 | -177.6 | 69.5 | 0 | 0 | 113.8 | | |
| 1278 | T | 37.5 | Very low | 29.6 | Very low | 148 Ų | 148 | 135.6 Ų | 135.6 | 91% | 0.908 | 74% | 0.737 | S | S | * | * | | | trans | -155.5 | 155.8 | 150.7 | 25.7 | 0 | 0 | 0 | 0 | 109.4 | | |
| 1279 | D | 29.3 | Very low | 29.9 | Very low | 156 Ų | 156 | 134.1 Ų | 134.1 | 83% | 0.834 | 73% | 0.734 | S | S | * | * | | | trans | -114.3 | -166.4 | -167.8 | -147.7 | -37.1 | 0 | 0 | 0 | 111.8 | | |
| 1280 | I | 35 | Very low | 30 | Very low | 163 Ų | 163 | 135.4 Ų | 135.4 | 84% | 0.836 | 74% | 0.737 | S | S | * | * | | | trans | 89.7 | 131.1 | 170.6 | -49.6 | 169.3 | 0 | 0 | 0 | 115.3 | | |
| 1281 | G | 27.9 | Very low | 29.9 | Very low | 67 Ų | 67 | 135.9 Ų | 135.9 | 69% | 0.691 | 74% | 0.74 | S | S | * | * | | | trans | -125.8 | -179.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 1282 | V | 32.1 | Very low | 29.9 | Very low | 152 Ų | 152 | 138.9 Ų | 138.9 | 92% | 0.921 | 75% | 0.75 | S | S | * | * | | | trans | -137.1 | 156.6 | -177.7 | 178.2 | 0 | 0 | 0 | 0 | 110.6 | | |
| 1283 | I | 27.1 | Very low | 29.8 | Very low | 147 Ų | 147 | 137.1 Ų | 137.1 | 75% | 0.754 | 75% | 0.748 | S | S | * | * | | | trans | -109.4 | 142.1 | -166.9 | -69.6 | 171.2 | 0 | 0 | 0 | 112.9 | | |
| 1284 | I | 24.9 | Very low | 29.4 | Very low | 142 Ų | 142 | 135.4 Ų | 135.4 | 73% | 0.728 | 75% | 0.753 | S | S | * | * | | | trans | 9.1 | 130.1 | 152.9 | -51.4 | 163.1 | 0 | 0 | 0 | 118.2 | | |
| 1285 | T | 29.8 | Very low | 29.2 | Very low | 139 Ų | 139 | 132.8 Ų | 132.8 | 85% | 0.853 | 74% | 0.742 | S | S | * | * | | | trans | -158.9 | 147.2 | 134.8 | -72.4 | 0 | 0 | 0 | 0 | 110.4 | | |
| 1286 | N | 24.8 | Very low | 29.2 | Very low | 131 Ų | 131 | 132.6 Ų | 132.6 | 70% | 0.701 | 74% | 0.744 | S | S | * | * | | | trans | -70.8 | 156.3 | -179.9 | -54.7 | -27.1 | 0 | 0 | 0 | 112.7 | | |
| 1287 | N | 33.4 | Very low | 28.6 | Very low | 164 Ų | 164 | 131.7 Ų | 131.7 | 88% | 0.877 | 74% | 0.743 | S | S | * | * | | | | -166.2 | 167.8 | 110.2 | -97.8 | -17 | 0 | 0 | 0 | 113.5 | | |
| 1288 | N | 30.7 | Very low | 28.5 | Very low | 132 Ų | 132 | 128.6 Ų | 128.6 | 71% | 0.706 | 74% | 0.736 | S | S | * | * | | | trans | -79.3 | 164.3 | -157.5 | -120.1 | 43.7 | 0 | 0 | 0 | 116.4 | | |
| 1289 | D | 33.4 | Very low | 27.8 | Very low | 130 Ų | 130 | 129.9 Ų | 129.9 | 70% | 0.695 | 74% | 0.736 | S | S | * | * | | | trans | 78 | 132.5 | 146.9 | -56.6 | -30.9 | 0 | 0 | 0 | 123.2 | | |
| 1290 | D | 32.2 | Very low | 27.7 | Very low | 136 Ų | 136 | 128 Ų | 128 | 73% | 0.727 | 73% | 0.731 | S | S | * | * | | | trans | 69 | 93.3 | 155.1 | -67.7 | -26.7 | 0 | 0 | 0 | 122.8 | | |
| 1291 | N | 26.8 | Very low | 27.1 | Very low | 121 Ų | 121 | 126 Ų | 126 | 65% | 0.647 | 73% | 0.731 | S | S | * | * | | | | 79.3 | 79.5 | 128.1 | -64.1 | -58.5 | 0 | 0 | 0 | 120 | | |
| 1292 | N | 27.3 | Very low | 27.2 | Very low | 132 Ų | 132 | 128.7 Ų | 128.7 | 71% | 0.706 | 74% | 0.735 | S | S | * | * | | | | 66.4 | 103.9 | 117.8 | -65.2 | -25.9 | 0 | 0 | 0 | 119.9 | | |
| 1293 | T | 26.1 | Very low | 27.1 | Very low | 86 Ų | 86 | 128.2 Ų | 128.2 | 53% | 0.528 | 73% | 0.732 | S | S | . | * | | | | 40.7 | 126.1 | 122.5 | 57 | 0 | 0 | 0 | 0 | 118.9 | T1295 | T1293-T1295 HydrophobicContact CG2-CG2 4.34Š|
| 1294 | S | 22.9 | Very low | 27 | Very low | 114 Ų | 114 | 128.8 Ų | 128.8 | 80% | 0.797 | 74% | 0.735 | S | S | * | * | | | cis | 54.2 | 60.9 | 9.5 | 65.2 | 0 | 0 | 0 | 0 | 117.2 | | |
| 1295 | T | 26.5 | Very low | 27.1 | Very low | 70 Ų | 70 | 129.9 Ų | 129.9 | 43% | 0.429 | 74% | 0.739 | S | S | . | * | | | trans | -136.4 | 98.9 | 159.9 | 18.8 | 0 | 0 | 0 | 0 | 109.3 | W679 T1293 | W679-T1295 WeakPolarHBondContact CH2-O 2.99Å; T1293-T1295 HydrophobicContact CG2-CG2 4.34Å |
| 1296 | I | 25.6 | Very low | 27.1 | Very low | 141 Ų | 141 | 129.6 Ų | 129.6 | 72% | 0.723 | 74% | 0.737 | S | S | * | * | | | | 74.9 | 98 | 91.2 | -72.5 | 167.5 | 0 | 0 | 0 | 110.3 | | |
| 1297 | V | 22.5 | Very low | 27.1 | Very low | 117 Ų | 117 | 128.1 Ų | 128.1 | 71% | 0.709 | 73% | 0.733 | S | S | * | * | | | | 74.4 | 104.6 | 74.4 | 173 | 0 | 0 | 0 | 0 | 112.5 | | |
| 1298 | T | 22.8 | Very low | 26.7 | Very low | 113 Ų | 113 | 126.5 Ų | 126.5 | 69% | 0.693 | 73% | 0.729 | S | S | * | * | | | trans | 40 | 107.9 | 135.6 | -43.4 | 0 | 0 | 0 | 0 | 119 | T1300 | T1298-T1300 PolarHBondContact O-N 3.25Å; T1298-T1300 VanDerWaalsContact O-N 3.11Å; T1298-T1300 PolarHBondContact O-OG1 2.86Å; T1298-T1300 VanDerWaalsContact O-OG1 3.12Å |
| 1299 | L | 23.1 | Very low | 26.6 | Very low | 174 Ų | 174 | 125.1 Ų | 125.1 | 91% | 0.911 | 73% | 0.73 | S | S | * | * | | | trans | -29.2 | 110.8 | 152.2 | -67.4 | 159.2 | 0 | 0 | 0 | 112.4 | | |
| 1300 | T | 26 | Very low | 26.2 | Very low | 117 Ų | 117 | 124.4 Ų | 124.4 | 72% | 0.718 | 73% | 0.731 | S | S | * | * | | | trans | -128.2 | 109.1 | 172.8 | -54.5 | 0 | 0 | 0 | 0 | 108.7 | T1298 | T1298-T1300 PolarHBondContact O-N 3.25Å; T1298-T1300 VanDerWaalsContact O-N 3.11Å; T1298-T1300 PolarHBondContact O-OG1 2.86Å; T1298-T1300 VanDerWaalsContact O-OG1 3.12Å |
| 1301 | S | 24.1 | Very low | 25.8 | Very low | 120 Ų | 120 | 123.8 Ų | 123.8 | 84% | 0.839 | 73% | 0.732 | S | S | * | * | | | trans | -72.6 | 130.8 | -176.7 | -51 | 0 | 0 | 0 | 0 | 111.8 | | |
| 1302 | T | 29.2 | Very low | 25.8 | Very low | 125 Ų | 125 | 124.6 Ų | 124.6 | 77% | 0.767 | 74% | 0.742 | S | S | * | * | | | trans | -139.4 | 128.1 | 162.7 | 43.6 | 0 | 0 | 0 | 0 | 110.1 | | |
| 1303 | T | 29.3 | Very low | 25.5 | Very low | 142 Ų | 142 | 123.3 Ų | 123.3 | 87% | 0.871 | 74% | 0.742 | S | S | * | * | | | trans | -123.2 | 107.8 | 169.5 | -57.5 | 0 | 0 | 0 | 0 | 107.4 | | |
| 1304 | I | 26.6 | Very low | 25.4 | Very low | 159 Ų | 159 | 126 Ų | 126 | 82% | 0.815 | 76% | 0.758 | S | S | * | * | | | trans | -126.6 | 130.7 | 170.5 | -63.5 | -175.7 | 0 | 0 | 0 | 109.5 | | |
| 1305 | M | 26.2 | Very low | 25.6 | Very low | 165 Ų | 165 | 125.9 Ų | 125.9 | 81% | 0.813 | 76% | 0.757 | S | S | * | * | | | trans | -47.5 | 156.8 | 178.6 | -59 | 169.2 | 168.1 | 0 | 0 | 116.5 | | |
| 1306 | T | 30.5 | Very low | 25.4 | Very low | 132 Ų | 132 | 129.9 Ų | 129.9 | 81% | 0.81 | 78% | 0.781 | S | S | * | * | | | trans | -135.1 | 92 | 140.8 | -41.4 | 0 | 0 | 0 | 0 | 106.9 | | |
| 1307 | T | 24.6 | Very low | 25.6 | Very low | 101 Ų | 101 | 128.2 Ų | 128.2 | 62% | 0.62 | 78% | 0.782 | S | S | * | * | | | | 43.7 | 110.2 | 101.6 | 51.8 | 0 | 0 | 0 | 0 | 114.4 | | |
| 1308 | T | 25 | Very low | 25.7 | Very low | 129 Ų | 129 | 127.7 Ų | 127.7 | 79% | 0.791 | 78% | 0.784 | S | S | * | * | | | | 82.2 | 90.7 | 75.1 | -57.7 | 0 | 0 | 0 | 0 | 113.9 | | |
| 1309 | S | 28.4 | Very low | 25.9 | Very low | 103 Ų | 103 | 129.1 Ų | 129.1 | 72% | 0.72 | 79% | 0.786 | S | S | * | * | | | trans | -172.5 | 105.6 | 146.4 | 53.9 | 0 | 0 | 0 | 0 | 108.8 | | |
| 1310 | T | 24 | Very low | 26 | Very low | 115 Ų | 115 | 123.5 Ų | 123.5 | 71% | 0.706 | 76% | 0.761 | S | S | * | * | | | | 57.9 | 116.3 | 74.6 | 67.3 | 0 | 0 | 0 | 0 | 115.6 | | |
| 1311 | T | 24.8 | Very low | 26.3 | Very low | 124 Ų | 124 | 121.3 Ų | 121.3 | 76% | 0.761 | 75% | 0.747 | S | S | * | * | | | trans | 53.7 | 120.5 | 147.7 | 54.5 | 0 | 0 | 0 | 0 | 120.2 | | |
| 1312 | T | 26.6 | Very low | 26.5 | Very low | 138 Ų | 138 | 118.8 Ų | 118.8 | 85% | 0.847 | 73% | 0.725 | S | S | * | * | | | | -155.7 | 146.9 | 106.1 | -75.1 | 0 | 0 | 0 | 0 | 109.2 | | |
| 1313 | C | 20.9 | Very low | 26.4 | Very low | 105 Ų | 105 | 116.9 Ų | 116.9 | 71% | 0.709 | 71% | 0.707 | S | S | * | * | | | trans | -115.8 | 166.3 | 175.4 | -60.8 | 0 | 0 | 0 | 0 | 110.5 | | |
| 1314 | T | 23.7 | Very low | 26.3 | Very low | 142 Ų | 142 | 118 Ų | 118 | 87% | 0.871 | 70% | 0.702 | S | S | * | * | | | trans | 55.2 | 98.6 | 161.5 | 51.7 | 0 | 0 | 0 | 0 | 118.2 | | |
| 1315 | S | 27 | Very low | 26.4 | Very low | 112 Ų | 112 | 115.2 Ų | 115.2 | 78% | 0.783 | 70% | 0.696 | S | S | * | * | | | trans | -145.2 | 98.6 | 143.1 | 60.5 | 0 | 0 | 0 | 0 | 109.5 | | |
| 1316 | V | 22.7 | Very low | 26.8 | Very low | 153 Ų | 153 | 112.9 Ų | 112.9 | 93% | 0.927 | 69% | 0.694 | S | S | * | * | | | trans | -84.8 | 123.6 | 164.8 | 178.2 | 0 | 0 | 0 | 0 | 106.8 | | |
| 1317 | S | 29.2 | Very low | 27.1 | Very low | 106 Ų | 106 | 112 Ų | 112 | 74% | 0.741 | 69% | 0.69 | S | S | * | * | | | trans | -135.4 | 125 | 175.8 | -66.2 | 0 | 0 | 0 | 0 | 110.3 | | |
| 1318 | S | 25.4 | Very low | 27.3 | Very low | 107 Ų | 107 | 116.3 Ų | 116.3 | 75% | 0.748 | 70% | 0.703 | S | S | * | * | | | trans | -64.7 | 153.5 | 166.7 | 51.7 | 0 | 0 | 0 | 0 | 111.9 | | |
| 1319 | I | 26.6 | Very low | 27.4 | Very low | 143 Ų | 143 | 117.8 Ų | 117.8 | 73% | 0.733 | 70% | 0.701 | S | S | * | * | | | | -171.2 | 159.7 | 124.4 | -105.4 | 162.6 | 0 | 0 | 0 | 110.7 | L654 | L654-I1319 HydrophobicContact CD1-CG2 4.13Š|
| 1320 | S | 25.3 | Very low | 27.3 | Very low | 56 Ų | 56 | 120.6 Ų | 120.6 | 39% | 0.392 | 70% | 0.703 | S | S | . | * | | | trans | -154.5 | 165.4 | 176.9 | 60.8 | 0 | 0 | 0 | 0 | 112.7 | D652 K653 | D652-S1320 WeakPolarHBondContact CB-OG 3.47Å; D652-S1320 WeakPolarHBondContact OD2-CB 3.21Å; D652-S1320 PolarHBondContact OD2-OG 3.49Å; K653-S1320 CarbonylContact O-C 3.38Å; K653-S1320 WeakPolarHBondContact O-CA 3.44Å; K653-S1320 WeakPolarHBondContact O-CB 3.1Å |
| 1321 | T | 32.5 | Very low | 27.7 | Very low | 70 Ų | 70 | 124.6 Ų | 124.6 | 43% | 0.429 | 71% | 0.71 | S | S | . | * | B | Isolated β-bridge | trans | -146.4 | 160.8 | 176.1 | 58.7 | 0 | 0 | 0 | 0 | 112.9 | D652 K653 L654 | D652-T1321 VanDerWaalsContact CA-O 3.3Å; D652-T1321 WeakPolarHBondContact CA-O 3.48Å; D652-T1321 VanDerWaalsContact CB-C 3.49Å; D652-T1321 WeakPolarHBondContact CB-O 2.93Å; D652-T1321 WeakPolarHBondContact OD1-CA 3.37Å; D652-T1321 PolarHBondContact OD1-N 3.36Å; D652-T1321 PolarHBondContact OD2-N 3.47Å; K653-T1321 WeakPolarHBondContact CA-O 3.15Å; K653-T1321 WeakPolarHBondContact CB-O 3.19Å; K653-T1321 VanDerWaalsContact CD-O 3.27Å; K653-T1321 WeakPolarHBondContact CD-O 3.22Å; K653-T1321 WeakPolarHBondContact CG-O 3.28Å; K653-T1321 PolarHBondContact O-N 3.29Å; L654-T1321 HydrophobicContact CG-CG2 4.47Å |
| 1322 | N | 27.5 | Very low | 27.8 | Very low | 68 Ų | 68 | 128.5 Ų | 128.5 | 36% | 0.364 | 72% | 0.717 | S | S | . | * | | | trans | -81.7 | -107.9 | -140.9 | -159.7 | -106.2 | 0 | 0 | 0 | 122.8 | Q651 D652 K653 | Q651-N1322 PolarHBondContact O-ND2 2.84Å; Q651-N1322 PolarHBondContact OE1-ND2 3.39Å; D652-N1322 WeakPolarHBondContact OD1-CA 3.22Å; D652-N1322 WeakPolarHBondContact OD1-CB 3.23Å; D652-N1322 PolarHBondContact OD1-N 3.44Å; K653-N1322 WeakPolarHBondContact CD-O 3.1Å; K653-N1322 WeakPolarHBondContact CE-O 3.39Å; K653-N1322 WeakPolarHBondContact CG-O 3.42Å |
| 1323 | H | 27.2 | Very low | 28.1 | Very low | 85 Ų | 85 | 130.2 Ų | 130.2 | 39% | 0.394 | 72% | 0.715 | S | S | . | * | | | trans | -117.1 | 178.8 | -157.5 | -114 | -87.7 | 0 | 0 | 0 | 118.7 | Q651 K653 | Q651-H1323 PolarHBondContact NE2-CD2 3.24Å; Q651-H1323 PolarHBondContact NE2-NE2 3.05Å; K653-H1323 VanDerWaalsContact CE-C 3.46Å; K653-H1323 WeakPolarHBondContact CE-O 3.26Å; K653-H1323 PolarHBondContact NZ-O 3.14Å |
| 1324 | H | 27.3 | Very low | 28.4 | Very low | 164 Ų | 164 | 134.9 Ų | 134.9 | 76% | 0.759 | 72% | 0.724 | S | S | * | * | | | trans | 1.8 | 163.5 | 150.2 | -70.7 | -22.3 | 0 | 0 | 0 | 121.2 | | |
| 1325 | S | 28.5 | Very low | 28.9 | Very low | 101 Ų | 101 | 133 Ų | 133 | 71% | 0.706 | 72% | 0.717 | S | S | * | * | | | cis | -170.1 | 165.6 | -5.9 | 43.2 | 0 | 0 | 0 | 0 | 109.7 | | |
| 1326 | P | 34.8 | Very low | 28.9 | Very low | 116 Ų | 116 | 137.8 Ų | 137.8 | 75% | 0.753 | 72% | 0.719 | S | S | * | * | | | trans | -74.8 | 178.6 | 166.5 | 35.5 | -39.2 | 0 | 0 | 0 | 112 | | |
| 1327 | P | 38.3 | Very low | 29.2 | Very low | 113 Ų | 113 | 138 Ų | 138 | 73% | 0.734 | 71% | 0.714 | S | S | * | * | | | cis | -129.4 | 175.5 | 2.8 | 42.5 | -28.4 | 0 | 0 | 0 | 115.3 | | |
| 1328 | H | 28.5 | Very low | 29.3 | Very low | 192 Ų | 192 | 138.7 Ų | 138.7 | 89% | 0.889 | 71% | 0.714 | S | S | * | * | | | trans | -155.4 | 155.9 | 139.1 | -128.2 | -85.7 | 0 | 0 | 0 | 112.4 | | |
| 1329 | Q | 26.4 | Very low | 29.5 | Very low | 160 Ų | 160 | 142.6 Ų | 142.6 | 75% | 0.748 | 72% | 0.717 | S | S | * | * | | | trans | -123.1 | 159.9 | 177.5 | -158.5 | -176.2 | 62 | 0 | 0 | 109.9 | | |
| 1330 | Q | 26.4 | Very low | 29.9 | Very low | 163 Ų | 163 | 141.4 Ų | 141.4 | 76% | 0.762 | 72% | 0.718 | S | S | * | * | | | trans | 66.7 | 102.4 | 174.3 | -52.5 | -172.6 | 13 | 0 | 0 | 117.3 | | |
| 1331 | F | 32.9 | Very low | 30 | Very low | 198 Ų | 198 | 147.5 Ų | 147.5 | 87% | 0.868 | 74% | 0.738 | S | S | * | * | | | trans | -136 | 150.9 | 136.6 | -99.9 | -82.7 | 0 | 0 | 0 | 109.2 | E1333 | F1331-E1333 HydrophobicContact CD1-CG 4.47Š|
| 1332 | K | 25.4 | Very low | 29.7 | Very low | 207 Ų | 207 | 150 Ų | 150 | 90% | 0.9 | 76% | 0.757 | S | S | * | * | | | trans | -147.8 | 66.4 | -170.9 | -168.2 | 179.1 | -176.5 | 174.7 | 0 | 110.8 | | |
| 1333 | E | 34.7 | Very low | 29.7 | Very low | 174 Ų | 174 | 151.3 Ų | 151.3 | 81% | 0.813 | 77% | 0.768 | S | S | * | * | | | trans | -88.4 | 157.6 | -179.2 | -64 | -163.6 | 120.1 | 0 | 0 | 113 | F1331 | F1331-E1333 HydrophobicContact CD1-CG 4.47Š|
| 1334 | K | 27.3 | Very low | 29.7 | Very low | 203 Ų | 203 | 153.9 Ų | 153.9 | 88% | 0.883 | 78% | 0.784 | S | S | * | * | | | trans | -127.9 | 128.7 | 171.8 | -70 | 178.7 | 176.4 | 178.9 | 0 | 107.9 | | |
| 1335 | S | 32.2 | Very low | 29.9 | Very low | 103 Ų | 103 | 151.7 Ų | 151.7 | 72% | 0.72 | 78% | 0.784 | S | S | * | * | | | trans | -136.8 | 104.4 | -178.2 | 54.8 | 0 | 0 | 0 | 0 | 112.9 | | |
| 1336 | Y | 28.2 | Very low | 30 | Very low | 212 Ų | 212 | 152.1 Ų | 152.1 | 83% | 0.831 | 78% | 0.778 | S | S | * | * | | | trans | 51.8 | 138.3 | 140.3 | -59.3 | -76.7 | 0 | 0 | 0 | 123.5 | | |
| 1337 | L | 29.4 | Very low | 29.7 | Very low | 158 Ų | 158 | 156.7 Ų | 156.7 | 83% | 0.827 | 78% | 0.78 | S | S | * | * | | | trans | 72.9 | 155.8 | 158.8 | -103.7 | 65 | 0 | 0 | 0 | 116.8 | | |
| 1338 | T | 31.2 | Very low | 29.5 | Very low | 119 Ų | 119 | 159.7 Ų | 159.7 | 73% | 0.73 | 79% | 0.789 | S | S | * | * | | | cis | -130.6 | -131.4 | -3.9 | -40.5 | 0 | 0 | 0 | 0 | 111.1 | | |
| 1339 | K | 28.2 | Very low | 29.4 | Very low | 190 Ų | 190 | 155 Ų | 155 | 83% | 0.826 | 78% | 0.777 | S | S | * | * | | | trans | -158 | 172.6 | -179.3 | -61.6 | -176.9 | -177.1 | 170.2 | 0 | 106.2 | | |
| 1340 | P | 34.8 | Very low | 29.6 | Very low | 117 Ų | 117 | 156 Ų | 156 | 76% | 0.76 | 78% | 0.779 | S | S | * | * | | | cis | -138.7 | 136.1 | 7.6 | 37.1 | -16 | 0 | 0 | 0 | 118.4 | | |
| 1341 | K | 28.2 | Very low | 29.8 | Very low | 185 Ų | 185 | 157.4 Ų | 157.4 | 80% | 0.804 | 78% | 0.782 | S | S | * | * | | | | 56.7 | 103.2 | 119.8 | -163.7 | -173.4 | -177.2 | -172.5 | 0 | 121.6 | T1343 | K1341-T1343 HydrophobicContact CG-CG2 4.5Š|
| 1342 | C | 26 | Very low | 29.5 | Very low | 122 Ų | 122 | 152.5 Ų | 152.5 | 82% | 0.824 | 78% | 0.778 | S | S | * | * | | | | -158.1 | 86.2 | 127 | -100.2 | 0 | 0 | 0 | 0 | 108.8 | | |
| 1343 | T | 27.6 | Very low | 29.6 | Very low | 96 Ų | 96 | 147.8 Ų | 147.8 | 59% | 0.589 | 77% | 0.772 | S | S | * | * | | | | 60 | 100.4 | 103.6 | 50.9 | 0 | 0 | 0 | 0 | 114.7 | K1341 | K1341-T1343 HydrophobicContact CG-CG2 4.5Š|
| 1344 | L | 26.5 | Very low | 29.2 | Very low | 139 Ų | 139 | 145.1 Ų | 145.1 | 73% | 0.728 | 77% | 0.767 | S | S | * | * | | | | 84.1 | 131.9 | 71.7 | -81.9 | 163.4 | 0 | 0 | 0 | 112.8 | | |
| 1345 | P | 33.4 | Very low | 29 | Very low | 118 Ų | 118 | 141.1 Ų | 141.1 | 77% | 0.766 | 76% | 0.76 | S | S | * | * | | | | -108.1 | 154 | 58.5 | -1.3 | 23.7 | 0 | 0 | 0 | 114.6 | | |
| 1346 | N | 29.3 | Very low | 28.6 | Very low | 109 Ų | 109 | 140.9 Ų | 140.9 | 58% | 0.583 | 76% | 0.758 | S | S | * | * | | | | 56.4 | 140.9 | 75.9 | -74 | -23.3 | 0 | 0 | 0 | 114.5 | | |
| 1347 | R | 29.7 | Very low | 28.4 | Very low | 212 Ų | 212 | 136.5 Ų | 136.5 | 80% | 0.8 | 75% | 0.754 | S | S | * | * | | | cis | -173.7 | 149.9 | -10.9 | -115.5 | 172.9 | -158.6 | -164.5 | 1.6 | 107.9 | | |
| 1348 | I | 33.7 | Very low | 28.3 | Very low | 177 Ų | 177 | 134.8 Ų | 134.8 | 91% | 0.908 | 75% | 0.75 | S | S | * | * | | | trans | 174.2 | 159.9 | 134.5 | -93.7 | 157.8 | 0 | 0 | 0 | 109.9 | | |
| 1349 | S | 25.7 | Very low | 28 | Very low | 92 Ų | 92 | 136 Ų | 136 | 64% | 0.643 | 75% | 0.747 | S | S | * | * | | | trans | -162.4 | 144.9 | -173.1 | 62.1 | 0 | 0 | 0 | 0 | 111.2 | | |
| 1350 | K | 30 | Very low | 28 | Very low | 182 Ų | 182 | 133.6 Ų | 133.6 | 79% | 0.791 | 74% | 0.739 | S | S | * | * | | | trans | 159 | 144.3 | 135.8 | -91 | 156.2 | -172.2 | 173.6 | 0 | 113.4 | | |
| 1351 | K | 30.7 | Very low | 27.6 | Very low | 192 Ų | 192 | 135.9 Ų | 135.9 | 84% | 0.835 | 74% | 0.739 | S | S | * | * | | | trans | 59.9 | 140.7 | 150 | -62 | 170.7 | 178.3 | -170.1 | 0 | 117.3 | | |
| 1352 | A | 26.5 | Very low | 27.8 | Very low | 95 Ų | 95 | 136.2 Ų | 136.2 | 79% | 0.785 | 74% | 0.741 | S | S | * | * | | | cis | 89.3 | 121.4 | 17.5 | 0 | 0 | 0 | 0 | 0 | 117.1 | | |
| 1353 | S | 27.3 | Very low | 27.9 | Very low | 108 Ų | 108 | 138.2 Ų | 138.2 | 76% | 0.755 | 74% | 0.738 | S | S | * | * | | | trans | 75 | 97.4 | 164.5 | -166.3 | 0 | 0 | 0 | 0 | 120.1 | | |
| 1354 | T | 26.6 | Very low | 28.1 | Very low | 118 Ų | 118 | 142.2 Ų | 142.2 | 72% | 0.724 | 75% | 0.748 | S | S | * | * | | | | 51.7 | 135.2 | 119.8 | -22.3 | 0 | 0 | 0 | 0 | 122.3 | | |
| 1355 | T | 23.7 | Very low | 28.3 | Very low | 120 Ų | 120 | 141.3 Ų | 141.3 | 74% | 0.736 | 74% | 0.743 | S | S | * | * | | | trans | 77.9 | 112 | 150.3 | 22.7 | 0 | 0 | 0 | 0 | 121.6 | | |
| 1356 | S | 23.1 | Very low | 28.2 | Very low | 97 Ų | 97 | 143.1 Ų | 143.1 | 68% | 0.678 | 74% | 0.744 | S | S | * | * | | | | 87.3 | 163.6 | 124.6 | 75.5 | 0 | 0 | 0 | 0 | 121.5 | | |
| 1357 | T | 24.3 | Very low | 28.5 | Very low | 121 Ų | 121 | 145.2 Ų | 145.2 | 74% | 0.742 | 75% | 0.753 | S | S | * | * | | | trans | 71.7 | 130.5 | 161.4 | 50.6 | 0 | 0 | 0 | 0 | 120.4 | | |
| 1358 | V | 27.8 | Very low | 28.5 | Very low | 122 Ų | 122 | 139.4 Ų | 139.4 | 74% | 0.739 | 75% | 0.745 | S | S | * | * | | | trans | 73 | 134.8 | 134.3 | 166.5 | 0 | 0 | 0 | 0 | 117.3 | | |
| 1359 | E | 25.4 | Very low | 28.5 | Very low | 143 Ų | 143 | 137.8 Ų | 137.8 | 67% | 0.668 | 74% | 0.738 | S | S | * | * | | | cis | -163 | 171.1 | -11.8 | -118.4 | -175.3 | 126.1 | 0 | 0 | 111.6 | | |
| 1360 | Q | 27 | Very low | 28.9 | Very low | 141 Ų | 141 | 140.9 Ų | 140.9 | 66% | 0.659 | 74% | 0.742 | S | S | * | * | | | trans | 54.7 | 106.7 | 145.6 | -68.9 | 176.3 | 29.5 | 0 | 0 | 122.6 | | |
| 1361 | Q | 27.8 | Very low | 29 | Very low | 164 Ų | 164 | 135.8 Ų | 135.8 | 77% | 0.766 | 73% | 0.73 | S | S | * | * | | | | 80.5 | 82.9 | 104.2 | -161.6 | 172.2 | 3.1 | 0 | 0 | 122 | | |
| 1362 | K | 31.4 | Very low | 29.1 | Very low | 193 Ų | 193 | 131.9 Ų | 131.9 | 84% | 0.839 | 72% | 0.722 | S | S | * | * | | | trans | -164.5 | 113.7 | 135.2 | -140.1 | 177.3 | 178.9 | -176.1 | 0 | 107.2 | | |
| 1363 | Q | 28.8 | Very low | 29.3 | Very low | 163 Ų | 163 | 133.4 Ų | 133.4 | 76% | 0.762 | 72% | 0.717 | S | S | * | * | | | | 66.8 | 81.4 | 54.3 | -164.3 | 178.3 | 4.5 | 0 | 0 | 114.2 | | |
| 1364 | F | 32.6 | Very low | 29.4 | Very low | 180 Ų | 180 | 137.4 Ų | 137.4 | 79% | 0.789 | 72% | 0.721 | S | S | * | * | | | | -155.8 | 161.8 | 128.1 | -110.3 | -78.2 | 0 | 0 | 0 | 109.2 | | |
| 1365 | D | 30.6 | Very low | 29.5 | Very low | 120 Ų | 120 | 143 Ų | 143 | 64% | 0.642 | 73% | 0.729 | S | S | * | * | | | trans | -19 | 139.1 | -168.1 | -50 | -36.5 | 0 | 0 | 0 | 120.8 | | |
| 1366 | M | 30.3 | Very low | 29.7 | Very low | 156 Ų | 156 | 143.5 Ų | 143.5 | 77% | 0.768 | 73% | 0.732 | S | S | * | * | | | cis | 94 | 141.1 | 24.3 | -166.8 | 170.1 | 53 | 0 | 0 | 114.5 | | |
| 1367 | I | 35.3 | Very low | 30.1 | Very low | 154 Ų | 154 | 148.8 Ų | 148.8 | 79% | 0.79 | 74% | 0.742 | S | S | * | * | | | trans | 72.7 | 129.1 | -174.6 | -48.4 | 176.5 | 0 | 0 | 0 | 112.3 | | |
| 1368 | S | 30.6 | Very low | 30.1 | Very low | 89 Ų | 89 | 151.8 Ų | 151.8 | 62% | 0.622 | 75% | 0.748 | S | S | * | * | | | cis | -169 | 159.1 | -12.5 | 61 | 0 | 0 | 0 | 0 | 108.1 | | |
| 1369 | D | 34.1 | Very low | 30.1 | Very low | 144 Ų | 144 | 151.2 Ų | 151.2 | 77% | 0.77 | 75% | 0.749 | S | S | * | * | | | cis | -158.5 | -157.4 | -11.6 | -127 | -68.9 | 0 | 0 | 0 | 113.3 | | |
| 1370 | E | 33.4 | Very low | 30.2 | Very low | 156 Ų | 156 | 149.5 Ų | 149.5 | 73% | 0.729 | 75% | 0.753 | S | S | * | * | | | trans | -41.2 | 149.3 | 178.5 | -69.9 | -146.9 | 72.3 | 0 | 0 | 120.2 | | |
| 1371 | S | 32.6 | Very low | 30.2 | Very low | 76 Ų | 76 | 150.4 Ų | 150.4 | 53% | 0.531 | 76% | 0.762 | S | S | . | * | | | | 82.9 | 145.6 | 50.1 | 140.3 | 0 | 0 | 0 | 0 | 114.6 | | |
| 1372 | T | 33.4 | Very low | 30.4 | Very low | 110 Ų | 110 | 150.8 Ų | 150.8 | 68% | 0.675 | 77% | 0.767 | S | S | * | * | | | cis | -161.1 | 169.4 | -14.4 | 29.4 | 0 | 0 | 0 | 0 | 111.9 | | |
| 1373 | N | 30.6 | Very low | 30.2 | Very low | 126 Ų | 126 | 148.3 Ų | 148.3 | 67% | 0.674 | 76% | 0.763 | S | S | * | * | | | trans | 59.2 | 117.4 | 150.7 | -66.6 | -42.1 | 0 | 0 | 0 | 119.7 | | |
| 1374 | K | 28.7 | Very low | 30.1 | Very low | 192 Ų | 192 | 151.2 Ų | 151.2 | 84% | 0.835 | 77% | 0.767 | S | S | * | * | | | | 56.3 | 115.1 | 67.5 | -61.5 | 175.1 | 178.6 | 170.1 | 0 | 114.9 | | |
| 1375 | R | 29.2 | Very low | 29.9 | Very low | 237 Ų | 237 | 147.3 Ų | 147.3 | 89% | 0.894 | 76% | 0.762 | S | S | * | * | | | | 155.7 | 109.4 | 108.4 | -172.2 | 174.9 | -165.2 | 168 | 3.7 | 115.2 | | |
| 1376 | V | 27.2 | Very low | 29.6 | Very low | 130 Ų | 130 | 148.4 Ų | 148.4 | 79% | 0.788 | 77% | 0.768 | S | S | * | * | | | trans | 15.9 | 122.5 | 142.9 | -176.2 | 0 | 0 | 0 | 0 | 119.3 | | |
| 1377 | K | 30.4 | Very low | 29.7 | Very low | 207 Ų | 207 | 146.6 Ų | 146.6 | 90% | 0.9 | 77% | 0.765 | S | S | * | * | | | | -163.3 | 143.8 | 129.4 | -111.6 | 170.8 | -175.5 | -178.2 | 0 | 113.1 | | |
| 1378 | Q | 24.5 | Very low | 29.5 | Very low | 185 Ų | 185 | 147.2 Ų | 147.2 | 86% | 0.864 | 77% | 0.77 | S | S | * | * | | | trans | -88.4 | 143.9 | 165.6 | -57.8 | 157.5 | -71.7 | 0 | 0 | 109.5 | | |
| 1379 | S | 28.1 | Very low | 29.4 | Very low | 109 Ų | 109 | 147 Ų | 147 | 76% | 0.762 | 77% | 0.773 | S | S | * | * | | | trans | 178.6 | 135.6 | 137.9 | 53.7 | 0 | 0 | 0 | 0 | 113.6 | | |
| 1380 | S | 28.2 | Very low | 29.4 | Very low | 108 Ų | 108 | 149.3 Ų | 149.3 | 76% | 0.755 | 78% | 0.776 | S | S | * | * | | | trans | 52.4 | 126.4 | 146.6 | 59.6 | 0 | 0 | 0 | 0 | 121.6 | | |
| 1381 | L | 27 | Very low | 29.4 | Very low | 160 Ų | 160 | 151.7 Ų | 151.7 | 84% | 0.838 | 78% | 0.784 | S | S | * | * | | | trans | -59.7 | 149.8 | 156.6 | -61 | 82.8 | 0 | 0 | 0 | 111.5 | | |
| 1382 | I | 30.9 | Very low | 29.3 | Very low | 171 Ų | 171 | 157 Ų | 157 | 88% | 0.877 | 80% | 0.798 | S | S | * | * | | | trans | -156.5 | 158.8 | 140.5 | -106.5 | 156.1 | 0 | 0 | 0 | 109.2 | | |
| 1383 | N | 27.5 | Very low | 29.1 | Very low | 141 Ų | 141 | 163 Ų | 163 | 75% | 0.754 | 81% | 0.809 | S | S | * | * | | | trans | -97.7 | 161.6 | -160.8 | -90.1 | -62.8 | 0 | 0 | 0 | 115.8 | | |
| 1384 | R | 26.9 | Very low | 28.9 | Very low | 225 Ų | 225 | 163 Ų | 163 | 85% | 0.849 | 81% | 0.81 | S | S | * | * | | | trans | 75.8 | 107.2 | 149.1 | -78.7 | 171.8 | 176.5 | -176.8 | -2.2 | 121.6 | | |
| 1385 | S | 28 | Very low | 29.1 | Very low | 97 Ų | 97 | 161.4 Ų | 161.4 | 68% | 0.678 | 81% | 0.81 | S | S | * | * | | | | 73.6 | 122.5 | 111.1 | -54.5 | 0 | 0 | 0 | 0 | 122.6 | | |
| 1386 | N | 25.8 | Very low | 29.2 | Very low | 144 Ų | 144 | 155.9 Ų | 155.9 | 77% | 0.77 | 80% | 0.799 | S | S | * | * | | | trans | 57.4 | 109.3 | 138.1 | -56.5 | 4.6 | 0 | 0 | 0 | 119.9 | | |
| 1387 | T | 31.7 | Very low | 29.5 | Very low | 117 Ų | 117 | 156.4 Ų | 156.4 | 72% | 0.718 | 80% | 0.797 | S | S | * | * | | | | 165.5 | 136.1 | 101.9 | 37.3 | 0 | 0 | 0 | 0 | 111.7 | | |
| 1388 | L | 30.9 | Very low | 29.6 | Very low | 168 Ų | 168 | 155.2 Ų | 155.2 | 88% | 0.88 | 79% | 0.792 | S | S | * | * | | | trans | -154.3 | 118.2 | 153.6 | -153.5 | 76.3 | 0 | 0 | 0 | 110.9 | | |
| 1389 | A | 28.4 | Very low | 29.7 | Very low | 83 Ų | 83 | 150.4 Ų | 150.4 | 69% | 0.686 | 78% | 0.779 | S | S | * | * | | | trans | -130 | 130.7 | 172 | 0 | 0 | 0 | 0 | 0 | 108.8 | | |
| 1390 | K | 33.7 | Very low | 29.9 | Very low | 194 Ų | 194 | 151.2 Ų | 151.2 | 84% | 0.843 | 78% | 0.779 | S | S | * | * | | | trans | -165.4 | 97.1 | -179.9 | -116.4 | 175.1 | -173.5 | 176.4 | 0 | 113.5 | | |
| 1391 | K | 32.8 | Very low | 29.8 | Very low | 205 Ų | 205 | 152.7 Ų | 152.7 | 89% | 0.891 | 78% | 0.779 | S | S | * | * | | | | -170.5 | 151.7 | 114.8 | -103.3 | 174.6 | 179.9 | -178.8 | 0 | 109.8 | | |
| 1392 | K | 31.5 | Very low | 29.8 | Very low | 189 Ų | 189 | 150 Ų | 150 | 82% | 0.822 | 77% | 0.768 | S | S | * | * | | | trans | -114.2 | 145.2 | 171.7 | -63.4 | -177.2 | 177.1 | -172.2 | 0 | 107.9 | | |
| 1393 | Y | 28.8 | Very low | 29.8 | Very low | 234 Ų | 234 | 150.5 Ų | 150.5 | 92% | 0.918 | 77% | 0.767 | S | S | * | * | | | trans | -120.9 | 158.4 | 139.4 | -93.9 | -89.6 | 0 | 0 | 0 | 108.5 | | |
| 1394 | N | 27.6 | Very low | 29.7 | Very low | 128 Ų | 128 | 151 Ų | 151 | 68% | 0.684 | 77% | 0.769 | S | S | * | * | | | trans | -151.9 | 129 | -167.6 | 172.6 | 76.1 | 0 | 0 | 0 | 107.8 | | |
| 1395 | N | 32.4 | Very low | 29.9 | Very low | 157 Ų | 157 | 150 Ų | 150 | 84% | 0.84 | 77% | 0.771 | S | S | * | * | | | trans | -149 | 145 | 167.3 | -141.5 | -5.2 | 0 | 0 | 0 | 111.2 | | |
| 1396 | N | 30.9 | Very low | 29.8 | Very low | 122 Ų | 122 | 149.5 Ų | 149.5 | 65% | 0.652 | 77% | 0.768 | S | S | * | * | | | trans | -107.4 | 151.1 | -179.7 | -60.7 | -54.2 | 0 | 0 | 0 | 109.5 | | |
| 1397 | N | 34.3 | Very low | 30 | Very low | 140 Ų | 140 | 149.3 Ų | 149.3 | 75% | 0.749 | 77% | 0.772 | S | S | * | * | | | trans | -169.2 | 140.4 | 130.5 | -99.8 | -42.5 | 0 | 0 | 0 | 113.6 | | |
| 1398 | K | 30.8 | Very low | 29.7 | Very low | 182 Ų | 182 | 149.9 Ų | 149.9 | 79% | 0.791 | 77% | 0.769 | S | S | * | * | | | | 14.6 | 156.3 | 129.5 | -65 | 175.3 | 179.6 | 177.9 | 0 | 120.5 | | |
| 1399 | S | 26.9 | Very low | 29.4 | Very low | 85 Ų | 85 | 147.9 Ų | 147.9 | 59% | 0.594 | 76% | 0.764 | S | S | * | * | | | cis | 176 | 169.4 | -20.8 | 57.1 | 0 | 0 | 0 | 0 | 108.4 | | |
| 1400 | T | 32.5 | Very low | 29.5 | Very low | 126 Ų | 126 | 150.6 Ų | 150.6 | 77% | 0.773 | 77% | 0.772 | S | S | * | * | | | trans | 62.6 | 152 | 151.8 | 44 | 0 | 0 | 0 | 0 | 119.2 | | |
| 1401 | N | 26 | Very low | 29.1 | Very low | 139 Ų | 139 | 149.8 Ų | 149.8 | 74% | 0.743 | 77% | 0.771 | S | S | * | * | | | cis | -163.2 | 148.2 | -24.2 | -163.8 | 27.9 | 0 | 0 | 0 | 110.3 | | |
| 1402 | V | 26.7 | Very low | 29.2 | Very low | 103 Ų | 103 | 144.6 Ų | 144.6 | 62% | 0.624 | 76% | 0.759 | S | S | * | * | | | trans | 27.1 | 120.3 | 154.9 | 171.4 | 0 | 0 | 0 | 0 | 120.2 | | |
| 1403 | H | 31.5 | Very low | 28.9 | Very low | 181 Ų | 181 | 140.3 Ų | 140.3 | 84% | 0.838 | 75% | 0.753 | S | S | * | * | | | | -147.9 | 134.7 | 118.2 | -118.3 | 71.3 | 0 | 0 | 0 | 113.4 | | |
| 1404 | N | 25.5 | Very low | 29 | Very low | 151 Ų | 151 | 137.1 Ų | 137.1 | 81% | 0.807 | 75% | 0.751 | S | S | * | * | | | trans | -100.9 | 145.4 | 166.8 | -79.6 | -35.4 | 0 | 0 | 0 | 108.9 | | |
| 1405 | K | 30.4 | Very low | 29.2 | Very low | 205 Ų | 205 | 138.2 Ų | 138.2 | 89% | 0.891 | 75% | 0.75 | S | S | * | * | | | trans | -148.4 | 135.5 | 143.6 | -152.9 | 171.8 | -176.3 | -178.4 | 0 | 111.5 | | |
| 1406 | S | 25.9 | Very low | 28.9 | Very low | 87 Ų | 87 | 139 Ų | 139 | 61% | 0.608 | 75% | 0.746 | S | S | * | * | | | trans | -98 | 141.8 | 175.9 | 172.8 | 0 | 0 | 0 | 0 | 110.1 | I1408 | S1406-I1408 WeakPolarHBondContact OG-CG1 3.42Š|
| 1407 | T | 30.3 | Very low | 28.8 | Very low | 139 Ų | 139 | 138 Ų | 138 | 85% | 0.853 | 75% | 0.747 | S | S | * | * | | | trans | -138.6 | 135.4 | 155.7 | -55.8 | 0 | 0 | 0 | 0 | 107.1 | | |
| 1408 | I | 25.6 | Very low | 28.3 | Very low | 130 Ų | 130 | 142.4 Ų | 142.4 | 67% | 0.667 | 75% | 0.753 | S | S | * | * | | | trans | -128 | 157.1 | -173.1 | -47.5 | 176.8 | 0 | 0 | 0 | 108.4 | S1406 | S1406-I1408 WeakPolarHBondContact OG-CG1 3.42Š|
| 1409 | T | 24.9 | Very low | 28.1 | Very low | 125 Ų | 125 | 138.6 Ų | 138.6 | 77% | 0.767 | 75% | 0.749 | S | S | * | * | | | trans | 70.6 | 104.6 | 158.4 | 22.5 | 0 | 0 | 0 | 0 | 119 | | |
| 1410 | T | 30.4 | Very low | 28.1 | Very low | 140 Ų | 140 | 140.5 Ų | 140.5 | 86% | 0.859 | 76% | 0.757 | S | S | * | * | | | | -142.3 | 103.1 | 129.6 | 42.1 | 0 | 0 | 0 | 0 | 109.9 | | |
| 1411 | Q | 25.3 | Very low | 27.9 | Very low | 177 Ų | 177 | 138.6 Ų | 138.6 | 83% | 0.827 | 75% | 0.754 | S | S | * | * | | | | 30 | 156.1 | 116.5 | -103 | -156 | 22.2 | 0 | 0 | 121.8 | | |
| 1412 | P | 35.3 | Very low | 27.9 | Very low | 96 Ų | 96 | 136.8 Ų | 136.8 | 62% | 0.623 | 75% | 0.753 | S | S | * | * | | | | -138.8 | 175.9 | -76 | 40.2 | -22.2 | 0 | 0 | 0 | 114.9 | | |
| 1413 | S | 24.4 | Very low | 28 | Very low | 100 Ų | 100 | 136.8 Ų | 136.8 | 70% | 0.699 | 76% | 0.757 | S | S | * | * | | | trans | 37.1 | 113.4 | 145.6 | 63.7 | 0 | 0 | 0 | 0 | 120.7 | | |
| 1414 | N | 32.4 | Very low | 27.9 | Very low | 166 Ų | 166 | 133.5 Ų | 133.5 | 89% | 0.888 | 75% | 0.754 | S | S | * | * | | | trans | -152 | 154 | 140.1 | -106.9 | -45.1 | 0 | 0 | 0 | 111.4 | | |
| 1415 | K | 30.1 | Very low | 28.2 | Very low | 151 Ų | 151 | 135.6 Ų | 135.6 | 66% | 0.657 | 76% | 0.759 | S | S | * | * | | | trans | 62 | 128.5 | -172.8 | -66.6 | -170 | 174.6 | -170.9 | 0 | 117.1 | | |
| 1416 | K | 25.8 | Very low | 28.2 | Very low | 173 Ų | 173 | 134.4 Ų | 134.4 | 75% | 0.752 | 76% | 0.757 | S | S | * | * | | | trans | -83.4 | 161.2 | 158 | -61 | 175.1 | 166.8 | -178 | 0 | 108.4 | | |
| 1417 | P | 29.3 | Very low | 28.6 | Very low | 103 Ų | 103 | 138 Ų | 138 | 67% | 0.669 | 77% | 0.769 | S | S | * | * | | | | -133.7 | 140.3 | 80.7 | 35.7 | -24.1 | 0 | 0 | 0 | 114.9 | | |
| 1418 | R | 24.6 | Very low | 28.8 | Very low | 231 Ų | 231 | 140.7 Ų | 140.7 | 87% | 0.872 | 77% | 0.769 | S | S | * | * | | | trans | -168.9 | 154.3 | 150.5 | -162.8 | 161.5 | -175.1 | 176.9 | 2.8 | 110.1 | | |
| 1419 | S | 25.9 | Very low | 29.2 | Very low | 102 Ų | 102 | 142.9 Ų | 142.9 | 71% | 0.713 | 78% | 0.778 | S | S | * | * | | | trans | 66.9 | 130.1 | -159.7 | 62.8 | 0 | 0 | 0 | 0 | 110.8 | | |
| 1420 | T | 28.1 | Very low | 29.5 | Very low | 126 Ų | 126 | 142.6 Ų | 142.6 | 77% | 0.773 | 78% | 0.781 | S | S | * | * | | | | -157.1 | 143.2 | 51.5 | -54.8 | 0 | 0 | 0 | 0 | 113.5 | | |
| 1421 | A | 27.4 | Very low | 29.8 | Very low | 85 Ų | 85 | 142.7 Ų | 142.7 | 70% | 0.702 | 78% | 0.776 | S | S | * | * | | | trans | 60.1 | 179.8 | 154 | 0 | 0 | 0 | 0 | 0 | 118.7 | | |
| 1422 | S | 25.9 | Very low | 30.2 | Very low | 102 Ų | 102 | 140.4 Ų | 140.4 | 71% | 0.713 | 77% | 0.77 | S | S | * | * | | | | -163.2 | 163.3 | -50.8 | -86.8 | 0 | 0 | 0 | 0 | 110.2 | | |
| 1423 | S | 28.8 | Very low | 30.2 | Very low | 102 Ų | 102 | 142.9 Ų | 142.9 | 71% | 0.713 | 77% | 0.773 | S | S | * | * | | | trans | 47.8 | 95 | 155.5 | 54.2 | 0 | 0 | 0 | 0 | 118 | | |
| 1424 | S | 30.2 | Very low | 30.7 | Very low | 112 Ų | 112 | 144.2 Ų | 144.2 | 78% | 0.783 | 77% | 0.772 | S | S | * | * | | | | 65.5 | 103.4 | 78.4 | 77.9 | 0 | 0 | 0 | 0 | 115.7 | | |
| 1425 | H | 31.8 | Very low | 31 | Very low | 195 Ų | 195 | 141.2 Ų | 141.2 | 90% | 0.903 | 77% | 0.771 | S | S | * | * | | | trans | -118 | 141.5 | 141.8 | -140.7 | 60.8 | 0 | 0 | 0 | 108.8 | | |
| 1426 | E | 30 | Very low | 31.4 | Very low | 181 Ų | 181 | 141.1 Ų | 141.1 | 85% | 0.846 | 78% | 0.777 | S | S | * | * | | | trans | -78.4 | 138.4 | 178 | -61.9 | -179 | 119.3 | 0 | 0 | 109.8 | | |
| 1427 | N | 33.6 | Very low | 31.7 | Very low | 162 Ų | 162 | 144.2 Ų | 144.2 | 87% | 0.866 | 79% | 0.786 | S | S | * | * | | | trans | -142.1 | 153.6 | 148.1 | -139.5 | -21.9 | 0 | 0 | 0 | 111.8 | | |
| 1428 | K | 35.3 | Very low | 31.9 | Very low | 195 Ų | 195 | 144.7 Ų | 144.7 | 85% | 0.848 | 79% | 0.792 | S | S | * | * | | | trans | -90.3 | 149.1 | -157.6 | -71.1 | 174.5 | -179.1 | 169.6 | 0 | 113.5 | | |
| 1429 | M | 32.8 | Very low | 32.2 | Very low | 177 Ų | 177 | 137 Ų | 137 | 87% | 0.872 | 78% | 0.784 | S | S | * | * | | | trans | -71.3 | 136.2 | 170 | -65.9 | 169.8 | 169.9 | 0 | 0 | 110.9 | | |
| 1430 | S | 31.9 | Very low | 32.3 | Very low | 118 Ų | 118 | 137.7 Ų | 137.7 | 83% | 0.825 | 79% | 0.789 | S | S | * | * | | | trans | 24.3 | 113.8 | 146.3 | 60.7 | 0 | 0 | 0 | 0 | 118.8 | | |
| 1431 | D | 36.4 | Very low | 32.4 | Very low | 142 Ų | 142 | 141.5 Ų | 141.5 | 76% | 0.759 | 79% | 0.791 | S | S | * | * | | | trans | -146.2 | 127.6 | 158.7 | -162.6 | 14.2 | 0 | 0 | 0 | 109.8 | | |
| 1432 | N | 33.5 | Very low | 32.5 | Very low | 129 Ų | 129 | 144.4 Ų | 144.4 | 69% | 0.69 | 79% | 0.79 | S | S | * | * | | | trans | 47.9 | 122.6 | 179.1 | -49.3 | -63.8 | 0 | 0 | 0 | 118.5 | | |
| 1433 | Q | 35.6 | Very low | 33 | Very low | 149 Ų | 149 | 142.9 Ų | 142.9 | 70% | 0.696 | 79% | 0.791 | S | S | * | * | | | | 67.1 | 124.8 | 50.2 | -67.6 | -61.7 | 107.6 | 0 | 0 | 115.8 | | |
| 1434 | D | 35.4 | Very low | 33.1 | Very low | 127 Ų | 127 | 143.6 Ų | 143.6 | 68% | 0.679 | 79% | 0.791 | S | S | * | * | | | trans | 58.1 | 92.9 | 142.8 | -47.1 | -25.9 | 0 | 0 | 0 | 119.1 | | |
| 1435 | A | 39.3 | Very low | 33.1 | Very low | 104 Ų | 104 | 143 Ų | 143 | 86% | 0.86 | 79% | 0.786 | S | S | * | * | | | trans | -133.7 | 99.2 | 153.6 | 0 | 0 | 0 | 0 | 0 | 108.9 | | |
| 1436 | D | 37.3 | Very low | 33 | Very low | 148 Ų | 148 | 139.1 Ų | 139.1 | 79% | 0.791 | 77% | 0.772 | S | S | * | * | | | trans | -66.4 | 152.8 | -169.6 | -75 | -71.7 | 0 | 0 | 0 | 115.8 | S1438 | D1436-S1438 PolarHBondContact O-N 3.2Š|
| 1437 | Y | 32 | Very low | 32.9 | Very low | 239 Ų | 239 | 134.2 Ų | 134.2 | 94% | 0.937 | 76% | 0.758 | S | S | * | * | | | trans | -91.8 | 82.3 | 173.7 | -163.6 | -85 | 0 | 0 | 0 | 111.4 | | |
| 1438 | S | 34.9 | Very low | 32.8 | Very low | 113 Ų | 113 | 132.9 Ų | 132.9 | 79% | 0.79 | 75% | 0.751 | S | S | * | * | | | trans | -174.4 | 157.2 | 159.3 | 53.4 | 0 | 0 | 0 | 0 | 110.2 | D1436 | D1436-S1438 PolarHBondContact O-N 3.2Š|
| 1439 | G | 30.8 | Very low | 32.6 | Very low | 69 Ų | 69 | 127.6 Ų | 127.6 | 71% | 0.711 | 74% | 0.739 | S | S | * | * | | | cis | -175.3 | 154.3 | -2.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 1440 | S | 28 | Very low | 32.5 | Very low | 117 Ų | 117 | 120.9 Ų | 120.9 | 82% | 0.818 | 71% | 0.709 | S | S | * | * | | | trans | -40.5 | 129.6 | 174.5 | 49.9 | 0 | 0 | 0 | 0 | 117.1 | | |
| 1441 | Y | 28.7 | Very low | 32.5 | Very low | 205 Ų | 205 | 124 Ų | 124 | 80% | 0.804 | 71% | 0.71 | S | S | * | * | | | trans | -147.9 | 115.3 | 143 | -139.8 | -107.3 | 0 | 0 | 0 | 107.1 | | |
| 1442 | E | 31.3 | Very low | 32.3 | Very low | 146 Ų | 146 | 120.9 Ų | 120.9 | 68% | 0.682 | 70% | 0.699 | S | S | * | * | | | | 62.7 | 138.3 | 73.6 | -66.1 | -151.5 | 134.8 | 0 | 0 | 114.4 | | |
| 1443 | G | 35.5 | Very low | 32 | Very low | 71 Ų | 71 | 123.2 Ų | 123.2 | 73% | 0.732 | 71% | 0.706 | S | S | * | * | | | trans | 112.9 | 64.4 | -158.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 1444 | V | 30.4 | Very low | 31.6 | Very low | 117 Ų | 117 | 121.2 Ų | 121.2 | 71% | 0.709 | 71% | 0.709 | S | S | * | * | | | | 58 | 91.6 | 50.7 | -176.3 | 0 | 0 | 0 | 0 | 111.8 | | |
| 1445 | S | 29.9 | Very low | 31.5 | Very low | 99 Ų | 99 | 121.2 Ų | 121.2 | 69% | 0.692 | 72% | 0.719 | S | S | * | * | | | trans | 52.2 | 107.6 | 142.9 | -55.6 | 0 | 0 | 0 | 0 | 120.5 | | |
| 1446 | N | 29.4 | Very low | 31 | Very low | 113 Ų | 113 | 120.1 Ų | 120.1 | 60% | 0.604 | 72% | 0.717 | S | S | * | * | | | | -136.3 | 113.9 | 126.8 | -130.2 | 30.2 | 0 | 0 | 0 | 107 | | |
| 1447 | S | 29.1 | Very low | 30.9 | Very low | 79 Ų | 79 | 117.2 Ų | 117.2 | 55% | 0.552 | 71% | 0.714 | S | S | * | * | | | | 76.6 | 53.3 | 50.7 | -49.8 | 0 | 0 | 0 | 0 | 113.9 | S1449 | S1447-S1449 PolarHBondContact O-N 3.45Š|
| 1448 | N | 31.1 | Very low | 30.6 | Very low | 134 Ų | 134 | 111.2 Ų | 111.2 | 72% | 0.717 | 71% | 0.707 | S | S | * | * | | | trans | -77.2 | 96.6 | 154.1 | -99.2 | 77.7 | 0 | 0 | 0 | 110 | D1221 | D1221-N1448 PolarHBondContact OD2-ND2 2.91Š|
| 1449 | S | 31.3 | Very low | 30.4 | Very low | 84 Ų | 84 | 109.9 Ų | 109.9 | 59% | 0.587 | 70% | 0.698 | S | S | * | * | | | trans | -65.8 | -177.7 | 136.8 | -104.2 | 0 | 0 | 0 | 0 | 109.1 | S1447 | S1447-S1449 PolarHBondContact O-N 3.45Š|
| 1450 | S | 29.9 | Very low | 30.4 | Very low | 36 Ų | 36 | 113.8 Ų | 113.8 | 25% | 0.252 | 70% | 0.701 | S | S | . | * | | | cis | -160.2 | 122.5 | -15.2 | 42.9 | 0 | 0 | 0 | 0 | 111.7 | D1220 | D1220-S1450 PolarHBondContact OD1-N 3.45Å; D1220-S1450 PolarHBondContact OD1-OG 2.72Å; D1220-S1450 PolarHBondContact OD2-N 2.56Å |
| 1451 | H | 33.1 | Very low | 30.8 | Very low | 183 Ų | 183 | 112.7 Ų | 112.7 | 85% | 0.847 | 68% | 0.683 | S | S | * | * | | | trans | -144.1 | 93 | 151.1 | -105.1 | 60 | 0 | 0 | 0 | 105.8 | | |
| 1452 | S | 30.7 | Very low | 30.9 | Very low | 76 Ų | 76 | 106.9 Ų | 106.9 | 53% | 0.531 | 67% | 0.67 | S | S | . | * | | | cis | 57.7 | 99.5 | 43.2 | -71.7 | 0 | 0 | 0 | 0 | 113.4 | | |
| 1453 | Q | 28.5 | Very low | 30.9 | Very low | 179 Ų | 179 | 102.5 Ų | 102.5 | 84% | 0.836 | 65% | 0.652 | S | S | * | * | | | trans | 72.3 | 148.9 | 145.1 | -57.8 | 176.2 | 27.8 | 0 | 0 | 117.9 | | |
| 1454 | S | 26.6 | Very low | 30.7 | Very low | 107 Ų | 107 | 101.7 Ų | 101.7 | 75% | 0.748 | 64% | 0.635 | S | S | * | * | | | cis | -162.2 | 122.2 | -23.3 | 50.2 | 0 | 0 | 0 | 0 | 110.6 | | |
| 1455 | S | 34.2 | Very low | 30.7 | Very low | 127 Ų | 127 | 98.9 Ų | 98.9 | 89% | 0.888 | 62% | 0.618 | S | S | * | * | | | trans | -154 | 134.8 | 162.2 | 57.1 | 0 | 0 | 0 | 0 | 109.6 | | |
| 1456 | G | 28.8 | Very low | 30.8 | Very low | 81 Ų | 81 | 100.1 Ų | 100.1 | 84% | 0.835 | 62% | 0.616 | S | S | * | * | | | cis | 147.4 | 39.5 | 4.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 1457 | A | 34 | Very low | 30.7 | Very low | 87 Ų | 87 | 100.7 Ų | 100.7 | 72% | 0.719 | 63% | 0.629 | S | S | * | * | | | trans | -152.9 | 130.9 | 173 | 0 | 0 | 0 | 0 | 0 | 106.9 | | |
| 1458 | S | 27.3 | Very low | 30.9 | Very low | 112 Ų | 112 | 104.2 Ų | 104.2 | 78% | 0.783 | 64% | 0.637 | S | S | * | * | | | cis | 62.3 | 97.2 | 47.5 | -51.2 | 0 | 0 | 0 | 0 | 110.4 | | |
| 1459 | S | 29.4 | Very low | 30.8 | Very low | 86 Ų | 86 | 102.5 Ų | 102.5 | 60% | 0.601 | 64% | 0.636 | S | S | * | * | | | | 92.7 | 107.8 | 84.2 | -175.2 | 0 | 0 | 0 | 0 | 112.5 | Y751 | Y751-S1459 VanDerWaalsContact OH-CA 3.28Å; Y751-S1459 WeakPolarHBondContact OH-CA 3.2Å; Y751-S1459 PolarHBondContact OH-OG 3.37Å; Y751-S1459 VanDerWaalsContact OH-OG 3.08Å |
| 1460 | L | 31.6 | Very low | 30.9 | Very low | 150 Ų | 150 | 106.5 Ų | 106.5 | 79% | 0.785 | 65% | 0.649 | S | S | * | * | | | trans | 166.8 | 42.2 | 150.4 | -94.6 | 167.9 | 0 | 0 | 0 | 112.4 | Y751 P1462 | Y751-L1460 VanDerWaalsContact CZ-N 3.29Å; Y751-L1460 VanDerWaalsContact OH-CA 3.31Å; Y751-L1460 WeakPolarHBondContact OH-CA 3.24Å; Y751-L1460 PolarHBondContact OH-N 2.68Å; L1460-P1462 WeakPolarHBondContact O-CD 2.89Å |
| 1461 | E | 36.3 | Very low | 30.9 | Very low | 95 Ų | 95 | 110 Ų | 110 | 44% | 0.444 | 67% | 0.674 | S | S | . | * | | | | 56.6 | -81.6 | 103.7 | 101.5 | -71.8 | -30.6 | 0 | 0 | 105.5 | C750 Y751 R752 D1463 | C750-E1461 CarbonylContact C-O 3.21Å; C750-E1461 WeakPolarHBondContact CA-O 3.2Å; C750-E1461 WeakPolarHBondContact CB-O 3.25Å; Y751-E1461 VanDerWaalsContact CB-CB 3.49Å; Y751-E1461 WeakPolarHBondContact CB-O 3.4Å; Y751-E1461 HydrophobicContact CD1-CB 2.31Å; Y751-E1461 HydrophobicContact CD1-CG 3.85Å; Y751-E1461 WeakPolarHBondContact CD1-O 3.41Å; Y751-E1461 HydrophobicContact CD2-CB 2.3Å; Y751-E1461 HydrophobicContact CD2-CG 2.78Å; Y751-E1461 WeakPolarHBondContact CD2-O 3.32Å; Y751-E1461 HydrophobicContact CE1-CB 2.32Å; Y751-E1461 HydrophobicContact CE1-CG 3.83Å; Y751-E1461 HydrophobicContact CE2-CB 2.31Å; Y751-E1461 HydrophobicContact CE2-CG 2.75Å; Y751-E1461 WeakPolarHBondContact CE2-OE1 3.15Å; Y751-E1461 HydrophobicContact CG-CB 2.31Å; Y751-E1461 HydrophobicContact CG-CG 3.38Å; Y751-E1461 PolarHBondContact N-O 2.95Å; Y751-E1461 VanDerWaalsContact N-O 3.12Å; Y751-E1461 VanDerWaalsContact OH-CB 3.24Å; Y751-E1461 WeakPolarHBondContact OH-CB 3.47Å; Y751-E1461 PolarHBondContact OH-N 3.05Å; Y751-E1461 PolarHBondContact OH-OE1 2.83Å; R752-E1461 WeakPolarHBondContact O-CG 3.08Å; E1461-D1463 PolarHBondContact O-N 3.05Å |
| 1462 | P | 29.5 | Very low | 31.3 | Very low | 82 Ų | 82 | 107.4 Ų | 107.4 | 53% | 0.532 | 67% | 0.673 | S | S | . | * | | | trans | -93.2 | 115.3 | -137.5 | 27.7 | -22.7 | 0 | 0 | 0 | 118.3 | Y751 L1460 | Y751-P1462 VanDerWaalsContact CD2-CA 3.49Å; Y751-P1462 HydrophobicContact CD2-CB 3.75Å; Y751-P1462 HydrophobicContact CD2-CG 3.99Å; Y751-P1462 HydrophobicContact CE2-CG 4.22Å; L1460-P1462 WeakPolarHBondContact O-CD 2.89Å |
| 1463 | D | 31.4 | Very low | 31.6 | Very low | 55 Ų | 55 | 110.2 Ų | 110.2 | 29% | 0.294 | 69% | 0.688 | S | S | . | * | | | | 33.8 | 146.6 | 115.1 | -50 | -15.2 | 0 | 0 | 0 | 121 | R748 W749 C750 Y751 E1461 | R748-D1463 CarbonylContact O-C 3.57Å; R748-D1463 WeakPolarHBondContact O-CA 3.32Å; R748-D1463 PolarHBondContact O-N 3.04Å; W749-D1463 HydrophobicContact CE3-CB 3.66Å; W749-D1463 VanDerWaalsContact CE3-OD1 3.31Å; W749-D1463 HydrophobicContact CZ3-CB 3.84Å; C750-D1463 PolarHBondContact N-OD1 3.43Å; Y751-D1463 PolarHBondContact N-OD1 3.37Å; E1461-D1463 PolarHBondContact O-N 3.05Å |
| 1464 | S | 32.2 | Very low | 31.9 | Very low | 54 Ų | 54 | 110 Ų | 110 | 38% | 0.378 | 68% | 0.684 | S | S | . | * | | | cis | -147.9 | 126 | 18.6 | -38.6 | 0 | 0 | 0 | 0 | 112.1 | I747 R748 | I747-S1464 WeakPolarHBondContact CB-O 3.5Å; I747-S1464 VanDerWaalsContact CG2-O 3.29Å; I747-S1464 WeakPolarHBondContact CG2-O 2.92Å; R748-S1464 PolarHBondContact O-N 3.16Å |
| 1465 | T | 30.4 | Very low | 32.4 | Very low | 57 Ų | 57 | 113.4 Ų | 113.4 | 35% | 0.35 | 69% | 0.687 | S | S | . | * | | | | -175.4 | 148.8 | 126.8 | 39.1 | 0 | 0 | 0 | 0 | 112.4 | I747 W749 | I747-T1465 VanDerWaalsContact CA-OG1 3.32Å; I747-T1465 WeakPolarHBondContact CA-OG1 3.3Å; I747-T1465 WeakPolarHBondContact CB-OG1 3.39Å; I747-T1465 PolarHBondContact N-OG1 3.38Å; I747-T1465 VanDerWaalsContact N-OG1 3.16Å; I747-T1465 PolarHBondContact O-OG1 3.06Å; W749-T1465 VanDerWaalsContact CD1-O 3.23Å; W749-T1465 PolarHBondContact N-O 3.04Å; W749-T1465 VanDerWaalsContact NE1-C 3.25Å |
| 1466 | L | 32.1 | Very low | 32.3 | Very low | 125 Ų | 125 | 114.7 Ų | 114.7 | 65% | 0.654 | 68% | 0.679 | S | S | * | * | | | trans | -140.9 | 122.3 | 156.3 | -105.2 | 171.7 | 0 | 0 | 0 | 101.6 | W749 E1468 | W749-L1466 VanDerWaalsContact CD1-CB 3.46Å; L1466-E1468 VanDerWaalsContact C-N 3.35Å; L1466-E1468 PolarHBondContact O-N 2.85Å |
| 1467 | S | 28.3 | Very low | 32.6 | Very low | 126 Ų | 126 | 121 Ų | 121 | 88% | 0.881 | 68% | 0.679 | S | S | * | * | | | trans | -99.5 | 66.6 | 169.3 | -64.4 | 0 | 0 | 0 | 0 | 108.4 | | |
| 1468 | E | 32.9 | Very low | 32.4 | Very low | 153 Ų | 153 | 123.3 Ų | 123.3 | 72% | 0.715 | 69% | 0.685 | S | S | * | * | | | trans | -119.1 | 123.8 | 172.5 | -169.3 | 165.3 | -130.4 | 0 | 0 | 110 | L1466 L1470 | L1466-E1468 VanDerWaalsContact C-N 3.35Å; L1466-E1468 PolarHBondContact O-N 2.85Å; E1468-L1470 PolarHBondContact O-N 2.83Å |
| 1469 | S | 28.1 | Very low | 32.6 | Very low | 98 Ų | 98 | 125.1 Ų | 125.1 | 69% | 0.685 | 68% | 0.679 | S | S | * | * | | | trans | -64.4 | 124.5 | 170.3 | 45.6 | 0 | 0 | 0 | 0 | 109.5 | | |
| 1470 | L | 32.8 | Very low | 32.7 | Very low | 167 Ų | 167 | 130.4 Ų | 130.4 | 87% | 0.874 | 69% | 0.691 | S | S | * | * | | | | 47 | 65.1 | 74.2 | -66.9 | 179.9 | 0 | 0 | 0 | 114.2 | E1468 | E1468-L1470 PolarHBondContact O-N 2.83Š|
| 1471 | S | 31.7 | Very low | 32.5 | Very low | 110 Ų | 110 | 130.7 Ų | 130.7 | 77% | 0.769 | 69% | 0.688 | S | S | * | * | | | trans | -165.2 | 113.7 | 144.4 | -79 | 0 | 0 | 0 | 0 | 107.1 | | |
| 1472 | P | 41 | Very low | 32.2 | Very low | 129 Ų | 129 | 129.5 Ų | 129.5 | 84% | 0.838 | 69% | 0.69 | S | S | * | * | | | | -142.3 | 166.3 | 68.2 | 35.4 | -16.5 | 0 | 0 | 0 | 116.5 | | |
| 1473 | T | 36 | Very low | 32.8 | Very low | 135 Ų | 135 | 133 Ų | 133 | 83% | 0.828 | 70% | 0.703 | S | S | * | * | | | trans | -160 | 163.2 | -176.1 | 29.8 | 0 | 0 | 0 | 0 | 110.4 | | |
| 1474 | K | 34.5 | Very low | 33.2 | Very low | 173 Ų | 173 | 132.5 Ų | 132.5 | 75% | 0.752 | 70% | 0.704 | S | S | * | * | | | cis | 179 | 146 | -27.5 | 178.6 | 173.5 | -179.2 | -178.8 | 0 | 107.9 | | |
| 1475 | H | 38.4 | Very low | 33.6 | Very low | 179 Ų | 179 | 137 Ų | 137 | 83% | 0.829 | 72% | 0.723 | S | S | * | * | | | trans | -97 | 146.2 | 179.8 | -83.3 | -97.9 | 0 | 0 | 0 | 115.2 | | |
| 1476 | H | 31 | Very low | 33.7 | Very low | 155 Ų | 155 | 137 Ų | 137 | 72% | 0.718 | 72% | 0.719 | S | S | * | * | | | trans | -153.3 | 152.8 | 159.3 | -92.8 | -87 | 0 | 0 | 0 | 107.5 | | |
| 1477 | Y | 35.6 | Very low | 34.3 | Very low | 212 Ų | 212 | 136.7 Ų | 136.7 | 83% | 0.831 | 71% | 0.713 | S | S | * | * | | | cis | 75.1 | 81.2 | 4.5 | -76.7 | -87.8 | 0 | 0 | 0 | 119.6 | | |
| 1478 | T | 30.6 | Very low | 35.1 | Very low | 137 Ų | 137 | 136.7 Ų | 136.7 | 84% | 0.84 | 70% | 0.703 | S | S | * | * | | | | -172.5 | 145.4 | 123.7 | -72.4 | 0 | 0 | 0 | 0 | 109.9 | | |
| 1479 | F | 30.2 | Very low | 35.9 | Very low | 149 Ų | 149 | 135.2 Ų | 135.2 | 65% | 0.654 | 70% | 0.704 | S | S | * | * | | | trans | -123.6 | 96.2 | -175.2 | -150.2 | -89 | 0 | 0 | 0 | 111.5 | | |
| 1480 | K | 31.4 | Very low | 36.4 | Very low | 198 Ų | 198 | 136.4 Ų | 136.4 | 86% | 0.861 | 71% | 0.708 | S | S | * | * | | | trans | -164 | 160.1 | 164.3 | -130 | -177.1 | -176.2 | -176.6 | 0 | 113.6 | | |
| 1481 | H | 27.4 | Very low | 36.8 | Very low | 156 Ų | 156 | 135 Ų | 135 | 72% | 0.722 | 70% | 0.701 | S | S | * | * | | | trans | -48.6 | 153.4 | 165.2 | -96.9 | -76.6 | 0 | 0 | 0 | 114.3 | | |
| 1482 | S | 31.5 | Very low | 37.6 | Very low | 69 Ų | 69 | 135.4 Ų | 135.4 | 48% | 0.483 | 70% | 0.695 | S | S | . | * | | | trans | 39.9 | 131.1 | 137 | -50.1 | 0 | 0 | 0 | 0 | 118.8 | Q841 | Q841-S1482 PolarHBondContact NE2-OG 2.92Å; Q841-S1482 PolarHBondContact OE1-OG 2.8Å |
| 1483 | I | 40.8 | Very low | 37.3 | Very low | 157 Ų | 157 | 134.2 Ų | 134.2 | 81% | 0.805 | 68% | 0.681 | S | S | * | * | | | cis | -124.8 | 124.1 | 32.9 | -72.5 | 169.9 | 0 | 0 | 0 | 108.3 | | |
| 1484 | S | 39.7 | Very low | 37.2 | Very low | 44 Ų | 44 | 130 Ų | 130 | 31% | 0.308 | 66% | 0.657 | S | S | . | * | | | | 52.7 | 53.4 | 69.2 | -91 | 0 | 0 | 0 | 0 | 113.6 | I839 Q841 | I839-S1484 WeakPolarHBondContact CG2-OG 3.13Å; Q841-S1484 PolarHBondContact NE2-OG 3.3Å |
| 1485 | D | 41.6 | Very low | 37.9 | Very low | 147 Ų | 147 | 122.6 Ų | 122.6 | 79% | 0.786 | 63% | 0.627 | S | S | * | * | | | | -110.2 | 165.6 | 111.1 | -124.8 | -45.1 | 0 | 0 | 0 | 111.6 | | |
| 1486 | Q | 32.9 | Very low | 37.6 | Very low | 59 Ų | 59 | 118.9 Ų | 118.9 | 28% | 0.276 | 62% | 0.621 | S | S | . | * | | | trans | -86.2 | -179.9 | -161.9 | -154.7 | 169.6 | 37.7 | 0 | 0 | 113.8 | E837 S838 I839 | E837-Q1486 VanDerWaalsContact C-NE2 3.33Å; E837-Q1486 PolarHBondContact O-NE2 3.17Å; E837-Q1486 PolarHBondContact O-OE1 2.87Å; S838-Q1486 VanDerWaalsContact C-NE2 3.26Å; S838-Q1486 PolarHBondContact O-NE2 3.29Å; S838-Q1486 VanDerWaalsContact O-NE2 3.14Å; I839-Q1486 HydrophobicContact CB-CG 4.49Å; I839-Q1486 HydrophobicContact CD1-CB 4.04Å; I839-Q1486 HydrophobicContact CG1-CB 3.51Å; I839-Q1486 HydrophobicContact CG1-CG 3.58Å |
| 1487 | K | 43.4 | Very low | 37.6 | Very low | 117 Ų | 117 | 116.6 Ų | 116.6 | 51% | 0.509 | 62% | 0.623 | S | S | . | * | | | trans | 72.6 | 129.9 | 155.8 | -80.6 | 135.1 | 177.6 | 157.5 | 0 | 115.1 | E837 | E837-K1487 WeakPolarHBondContact OE2-CE 3.38Å; E837-K1487 IonicContact OE2-NZ 2.76Å; E837-K1487 PolarHBondContact OE2-NZ 2.8Å |
| 1488 | N | 46.6 | Very low | 37.4 | Very low | 127 Ų | 127 | 114.4 Ų | 114.4 | 68% | 0.679 | 63% | 0.626 | S | S | * | * | | | cis | -158.4 | 162 | 5.9 | -115.2 | -11 | 0 | 0 | 0 | 111.9 | | |
| 1489 | T | 48.2 | Very low | 37.6 | Very low | 121 Ų | 121 | 111.9 Ų | 111.9 | 74% | 0.742 | 61% | 0.613 | S | S | * | * | | | trans | 38.2 | 107.7 | 152.7 | 56.8 | 0 | 0 | 0 | 0 | 117.3 | | |
| 1490 | T | 39 | Very low | 37.6 | Very low | 124 Ų | 124 | 111.7 Ų | 111.7 | 76% | 0.761 | 62% | 0.619 | S | S | * | * | | | cis | -164.8 | 142.9 | 39.6 | -69.3 | 0 | 0 | 0 | 0 | 113.7 | | |
| 1491 | N | 40.6 | Very low | 37.5 | Very low | 136 Ų | 136 | 107.9 Ų | 107.9 | 73% | 0.727 | 61% | 0.613 | S | S | * | * | | | trans | -6.4 | 163.9 | 157.9 | -56.2 | -9.7 | 0 | 0 | 0 | 122.4 | | |
| 1492 | N | 48.4 | Very low | 38 | Very low | 119 Ų | 119 | 107.7 Ų | 107.7 | 64% | 0.636 | 62% | 0.616 | S | S | * | * | | | cis | -177.1 | 158 | -21.1 | -88 | -21.7 | 0 | 0 | 0 | 109.1 | | |
| 1493 | N | 36.4 | Very low | 37.9 | Very low | 105 Ų | 105 | 112.9 Ų | 112.9 | 56% | 0.561 | 63% | 0.632 | S | S | * | * | | | trans | -170.5 | -173.2 | 163.6 | -114.1 | 6.8 | 0 | 0 | 0 | 114.2 | Q845 D847 | Q845-N1493 CarbonylContact C-O 3.17Å; Q845-N1493 WeakPolarHBondContact CB-O 3.18Å; Q845-N1493 CarbonylContact O-C 3.58Å; D847-N1493 HydrophobicContact CB-CB 3.77Å; D847-N1493 VanDerWaalsContact CB-ND2 3.27Å; D847-N1493 WeakPolarHBondContact CB-ND2 3.4Å; D847-N1493 PolarHBondContact OD2-ND2 3.18Å |
| 1494 | S | 32 | Very low | 38 | Very low | 46 Ų | 46 | 112.4 Ų | 112.4 | 32% | 0.322 | 63% | 0.631 | S | S | . | * | | | trans | -151.7 | 120.6 | -160.1 | 54.6 | 0 | 0 | 0 | 0 | 126.8 | Q845 D847 F848 | Q845-S1494 VanDerWaalsContact C-CA 3.43Å; Q845-S1494 VanDerWaalsContact CD-CB 3.45Å; Q845-S1494 PolarHBondContact O-N 2.98Å; D847-S1494 CarbonylContact C-O 3.47Å; D847-S1494 WeakPolarHBondContact CA-O 3.16Å; D847-S1494 VanDerWaalsContact N-N 3.18Å; F848-S1494 PolarHBondContact N-O 3.2Å |
| 1495 | S | 50.1 | Low | 38.2 | Very low | 17 Ų | 17 | 118.5 Ų | 118.5 | 12% | 0.119 | 65% | 0.654 | C | S | . | * | | | trans | -160.4 | 157.1 | 175.1 | -76.8 | 0 | 0 | 0 | 0 | 121.2 | M846 D847 F848 | M846-S1495 VanDerWaalsContact O-CB 3.22Å; M846-S1495 WeakPolarHBondContact O-CB 3.45Å; M846-S1495 PolarHBondContact O-OG 2.74Å; D847-S1495 VanDerWaalsContact C-OG 3.32Å; F848-S1495 WeakPolarHBondContact CA-OG 3.27Å; F848-S1495 VanDerWaalsContact CB-OG 3.24Å; F848-S1495 WeakPolarHBondContact CB-OG 3.29Å; F848-S1495 WeakPolarHBondContact CD1-OG 3.43Å; F848-S1495 WeakPolarHBondContact CD2-OG 3.12Å; F848-S1495 WeakPolarHBondContact CG-OG 3.22Å; F848-S1495 PolarHBondContact N-OG 3.15Å |
| 1496 | S | 32.8 | Very low | 37.7 | Very low | 101 Ų | 101 | 116.3 Ų | 116.3 | 71% | 0.706 | 65% | 0.651 | S | S | * | * | | | trans | 178.3 | 123 | 142.1 | 60.6 | 0 | 0 | 0 | 0 | 117.9 | F848 | F848-S1496 VanDerWaalsContact CE2-CA 3.49Š|
| 1497 | S | 30 | Very low | 37.8 | Very low | 107 Ų | 107 | 115.3 Ų | 115.3 | 75% | 0.748 | 65% | 0.65 | S | S | * | * | | | trans | 33.2 | 139.2 | 166 | 57.1 | 0 | 0 | 0 | 0 | 128.5 | | |
| 1498 | N | 32.4 | Very low | 37.6 | Very low | 167 Ų | 167 | 112.1 Ų | 112.1 | 89% | 0.893 | 64% | 0.639 | S | S | * | * | | | trans | -161.6 | -152.2 | 149.5 | -155.7 | 40.5 | 0 | 0 | 0 | 114.5 | | |
| 1499 | S | 33.4 | Very low | 36.6 | Very low | 83 Ų | 83 | 106.4 Ų | 106.4 | 58% | 0.58 | 61% | 0.608 | S | S | * | * | | | trans | -127.5 | 174.4 | -158.7 | 68.9 | 0 | 0 | 0 | 0 | 120.4 | | |
| 1500 | N | 30.5 | Very low | 36 | Very low | 146 Ų | 146 | 104.3 Ų | 104.3 | 78% | 0.781 | 59% | 0.591 | S | S | * | * | | | trans | 89.3 | 171.8 | 160.4 | -58.6 | 16.2 | 0 | 0 | 0 | 121.6 | | |
| 1501 | T | 28.9 | Very low | 36 | Very low | 118 Ų | 118 | 104.9 Ų | 104.9 | 72% | 0.724 | 59% | 0.588 | S | S | * | * | | | | -167.4 | 176.3 | -58.9 | -51.6 | 0 | 0 | 0 | 0 | 110.9 | | |
| 1502 | I | 39.5 | Very low | 36.7 | Very low | 152 Ų | 152 | 102.3 Ų | 102.3 | 78% | 0.779 | 57% | 0.573 | S | S | * | * | | | trans | 113.2 | 140.4 | 146.1 | -75.6 | 176.6 | 0 | 0 | 0 | 124.6 | | |
| 1503 | H | 28.7 | Very low | 36 | Very low | 177 Ų | 177 | 101.9 Ų | 101.9 | 82% | 0.819 | 58% | 0.577 | S | S | * | * | | | trans | 45 | 150.9 | 155.7 | -104.3 | -75.7 | 0 | 0 | 0 | 128.8 | | |
| 1504 | N | 42.3 | Very low | 35.9 | Very low | 147 Ų | 147 | 103.3 Ų | 103.3 | 79% | 0.786 | 58% | 0.58 | S | S | * | * | | | trans | 81.1 | 177.8 | 146.5 | -141.1 | 16 | 0 | 0 | 0 | 119.1 | | |
| 1505 | Q | 44.1 | Very low | 36 | Very low | 172 Ų | 172 | 107.9 Ų | 107.9 | 80% | 0.804 | 60% | 0.601 | S | S | * | * | | | trans | 75.4 | 160.3 | -177.2 | -67.5 | -166.7 | -9.2 | 0 | 0 | 117.3 | | |
| 1506 | S | 30.4 | Very low | 35.4 | Very low | 102 Ų | 102 | 112.7 Ų | 112.7 | 71% | 0.713 | 63% | 0.633 | S | S | * | * | | | trans | 65.4 | 158 | -169.7 | 86.3 | 0 | 0 | 0 | 0 | 111.9 | | |
| 1507 | S | 36 | Very low | 35.4 | Very low | 37 Ų | 37 | 113.2 Ų | 113.2 | 26% | 0.259 | 64% | 0.635 | S | S | . | * | | | | -84.5 | 145.2 | 51.1 | 21.5 | 0 | 0 | 0 | 0 | 115 | Q521 D525 | Q521-S1507 VanDerWaalsContact CD-OG 3.31Å; Q521-S1507 VanDerWaalsContact CG-OG 3.27Å; Q521-S1507 WeakPolarHBondContact CG-OG 3.4Å; Q521-S1507 PolarHBondContact NE2-O 3.4Å; Q521-S1507 PolarHBondContact NE2-OG 3.49Å; Q521-S1507 PolarHBondContact OE1-O 2.98Å; D525-S1507 WeakPolarHBondContact OD1-CB 3.49Å; D525-S1507 WeakPolarHBondContact OD2-CB 3.35Å; D525-S1507 PolarHBondContact OD2-OG 3.14Å |
| 1508 | N | 40.1 | Very low | 35.4 | Very low | 51 Ų | 51 | 111.8 Ų | 111.8 | 27% | 0.273 | 63% | 0.625 | S | S | . | * | | | | 61.2 | 174.1 | 90.8 | -59 | -44.9 | 0 | 0 | 0 | 113.4 | Q521 D525 M1510 | Q521-N1508 PolarHBondContact NE2-O 2.79Å; D525-N1508 PolarHBondContact OD1-ND2 2.84Å; N1508-M1510 VanDerWaalsContact C-N 3.26Å; N1508-M1510 PolarHBondContact O-N 3.13Å |
| 1509 | V | 24.6 | Very low | 35.7 | Very low | 7 Ų | 7 | 109.6 Ų | 109.6 | 4% | 0.042 | 62% | 0.62 | C | S | . | * | | | trans | 45.6 | 48.2 | 166.5 | -143.9 | 0 | 0 | 0 | 0 | 113.2 | R520 Q521 Q524 | R520-V1509 HydrophobicContact CB-CG1 4.1Å; R520-V1509 HydrophobicContact CG-CG1 4.03Å; R520-V1509 PolarHBondContact NH1-O 3.24Å; R520-V1509 PolarHBondContact NH2-O 3.49Å; R520-V1509 WeakPolarHBondContact O-CB 3.4Å; R520-V1509 WeakPolarHBondContact O-CG1 3.29Å; R520-V1509 VanDerWaalsContact O-CG2 3.23Å; R520-V1509 WeakPolarHBondContact O-CG2 3.46Å; Q521-V1509 WeakPolarHBondContact O-CG2 3.32Å; Q524-V1509 VanDerWaalsContact CA-CG2 3.44Å; Q524-V1509 HydrophobicContact CB-CB 3.9Å; Q524-V1509 HydrophobicContact CB-CG1 3.61Å; Q524-V1509 HydrophobicContact CB-CG2 3.24Å; Q524-V1509 HydrophobicContact CG-CB 4.35Å; Q524-V1509 HydrophobicContact CG-CG1 4.32Å; Q524-V1509 HydrophobicContact CG-CG2 3.69Å; Q524-V1509 VanDerWaalsContact OE1-CA 3.27Å |
| 1510 | M | 35 | Very low | 35.3 | Very low | 77 Ų | 77 | 111.1 Ų | 111.1 | 38% | 0.379 | 61% | 0.613 | S | S | . | * | | | | 40.3 | 138.7 | 63.2 | -56.7 | -154.6 | -51.7 | 0 | 0 | 113.3 | R520 Q524 N1508 I1512 | R520-M1510 PolarHBondContact NH1-O 3.11Å; Q524-M1510 VanDerWaalsContact OE1-CE 3.23Å; N1508-M1510 VanDerWaalsContact C-N 3.26Å; N1508-M1510 PolarHBondContact O-N 3.13Å; M1510-I1512 HydrophobicContact CB-CG2 4.23Å; M1510-I1512 HydrophobicContact CG-CG2 4.01Å; M1510-I1512 VanDerWaalsContact N-CD1 3.28Å; M1510-I1512 VanDerWaalsContact N-CG1 3.32Å |
| 1511 | I | 40.7 | Very low | 35 | Very low | 136 Ų | 136 | 113.9 Ų | 113.9 | 70% | 0.697 | 61% | 0.614 | S | S | * | * | | | cis | -116.5 | 79.6 | 4.8 | -59.4 | 69.2 | 0 | 0 | 0 | 103.6 | | |
| 1512 | I | 55.2 | Low | 35 | Very low | 81 Ų | 81 | 112.2 Ų | 112.2 | 42% | 0.415 | 60% | 0.604 | S | S | . | * | | | | 26 | 128.2 | 78.5 | -41.4 | -173.1 | 0 | 0 | 0 | 113.6 | M1510 | M1510-I1512 HydrophobicContact CB-CG2 4.23Å; M1510-I1512 HydrophobicContact CG-CG2 4.01Å; M1510-I1512 VanDerWaalsContact N-CD1 3.28Å; M1510-I1512 VanDerWaalsContact N-CG1 3.32Å |
| 1513 | P | 33.5 | Very low | 34.4 | Very low | 110 Ų | 110 | 107.1 Ų | 107.1 | 71% | 0.714 | 58% | 0.582 | S | S | * | * | S | Bend | trans | -75.2 | 174.5 | -168.9 | 34.6 | -38.4 | 0 | 0 | 0 | 111.5 | L1515 | P1513-L1515 PolarHBondContact O-N 3.26Š|
| 1514 | E | 33.3 | Very low | 34.4 | Very low | 135 Ų | 135 | 102.7 Ų | 102.7 | 63% | 0.631 | 57% | 0.569 | S | S | * | * | | | trans | 55.2 | -131.4 | 179.6 | -39 | -160.8 | 129.2 | 0 | 0 | 108.5 | | |
| 1515 | L | 35.5 | Very low | 34.1 | Very low | 143 Ų | 143 | 97.3 Ų | 97.3 | 75% | 0.749 | 54% | 0.543 | S | S | * | . | S | Bend | | -71 | 145.6 | -60.4 | -60 | 165.5 | 0 | 0 | 0 | 106.5 | P1513 | P1513-L1515 PolarHBondContact O-N 3.26Š|
| 1516 | C | 36.6 | Very low | 33.2 | Very low | 118 Ų | 118 | 93.4 Ų | 93.4 | 80% | 0.797 | 52% | 0.524 | S | S | * | . | S | Bend | cis | -147.5 | 88.3 | 38.9 | -59.4 | 0 | 0 | 0 | 0 | 112 | | |
| 1517 | C | 33.5 | Very low | 33.5 | Very low | 112 Ų | 112 | 95 Ų | 95 | 76% | 0.757 | 52% | 0.524 | S | S | * | . | | | trans | -116.5 | 69.1 | 170.1 | -82.5 | 0 | 0 | 0 | 0 | 111.8 | | |
| 1518 | S | 29.2 | Very low | 33 | Very low | 76 Ų | 76 | 100.7 Ų | 100.7 | 53% | 0.531 | 54% | 0.544 | S | S | . | . | | | trans | -174.4 | 168.3 | 169.2 | -91.4 | 0 | 0 | 0 | 0 | 111.7 | | |
| 1519 | P | 38.8 | Very low | 33 | Very low | 122 Ų | 122 | 104.7 Ų | 104.7 | 79% | 0.792 | 57% | 0.565 | S | S | * | * | S | Bend | cis | -87.1 | 111.9 | -12.8 | 32 | -26.2 | 0 | 0 | 0 | 109.4 | | |
| 1520 | R | 23.9 | Very low | 33.3 | Very low | 115 Ų | 115 | 107.9 Ų | 107.9 | 43% | 0.434 | 59% | 0.588 | S | S | . | * | | | | 92.2 | 132.3 | 84.4 | -85.9 | -171.6 | 174 | -154.9 | -6.3 | 109.8 | L869 | L869-R1520 VanDerWaalsContact CG-NH2 3.27Š|
| 1521 | Y | 26.1 | Very low | 33.2 | Very low | 203 Ų | 203 | 109 Ų | 109 | 80% | 0.796 | 60% | 0.603 | S | S | * | * | | | cis | 61.6 | 161.3 | 46.1 | -131.7 | -94.7 | 0 | 0 | 0 | 111.1 | | |
| 1522 | T | 27.3 | Very low | 32.8 | Very low | 83 Ų | 83 | 110 Ų | 110 | 51% | 0.509 | 61% | 0.61 | S | S | . | * | | | trans | 61 | 142.7 | -174.9 | 57.2 | 0 | 0 | 0 | 0 | 113.4 | | |
| 1523 | S | 26.7 | Very low | 31.9 | Very low | 46 Ų | 46 | 110.6 Ų | 110.6 | 32% | 0.322 | 62% | 0.622 | S | S | . | * | | | cis | 67 | 163.5 | 33.2 | 90.6 | 0 | 0 | 0 | 0 | 114.2 | Y1762 | S1523-Y1762 VanDerWaalsContact CB-CE2 3.42Š|
| 1524 | P | 29.7 | Very low | 31.8 | Very low | 83 Ų | 83 | 110.8 Ų | 110.8 | 54% | 0.539 | 63% | 0.625 | S | S | . | * | | | cis | -103.3 | 178.3 | -8.1 | 42.7 | -32.3 | 0 | 0 | 0 | 111 | Y1762 | P1524-Y1762 VanDerWaalsContact C-C 3.41Å; P1524-Y1762 CarbonylContact C-O 3.12Å; P1524-Y1762 HydrophobicContact CB-CD1 3.68Å; P1524-Y1762 HydrophobicContact CB-CE1 3.77Å |
| 1525 | S | 35.1 | Very low | 32.2 | Very low | 35 Ų | 35 | 110 Ų | 110 | 25% | 0.245 | 63% | 0.63 | C | S | . | * | | | cis | -138.7 | 149.8 | 37.9 | -25.4 | 0 | 0 | 0 | 0 | 116.2 | Y1762 E1763 | S1525-Y1762 CarbonylContact O-C 3.22Å; S1525-Y1762 WeakPolarHBondContact O-CA 3.32Å; S1525-Y1762 PolarHBondContact O-N 3.28Å; S1525-Y1762 VanDerWaalsContact O-N 3.11Å; S1525-E1763 WeakPolarHBondContact CA-OXT 2.9Å; S1525-E1763 WeakPolarHBondContact CB-OXT 3.3Å; S1525-E1763 PolarHBondContact N-OXT 3.21Å; S1525-E1763 CarbonylContact O-C 3.59Å; S1525-E1763 PolarHBondContact O-N 3.22Å; S1525-E1763 PolarHBondContact OG-OXT 3.29Å |
| 1526 | E | 26.6 | Very low | 32.1 | Very low | 89 Ų | 89 | 107.8 Ų | 107.8 | 42% | 0.416 | 62% | 0.622 | S | S | . | * | | | trans | -73.9 | 121 | 136.6 | -53.6 | 94.7 | 146.2 | 0 | 0 | 107.8 | Y1761 Y1762 | E1526-Y1761 HydrophobicContact CB-CD1 3.79Å; E1526-Y1761 HydrophobicContact CB-CE1 4.33Å; E1526-Y1761 HydrophobicContact CG-CD1 3.41Å; E1526-Y1761 VanDerWaalsContact CG-CD1 3.41Å; E1526-Y1761 HydrophobicContact CG-CE1 4.29Å; E1526-Y1761 HydrophobicContact CG-CG 3.75Å; E1526-Y1761 WeakPolarHBondContact CG-O 3.49Å; E1526-Y1762 WeakPolarHBondContact OE2-CD1 3.09Å; E1526-Y1762 WeakPolarHBondContact OE2-CE1 3.28Å |
| 1527 | I | 35.8 | Very low | 31.7 | Very low | 137 Ų | 137 | 112 Ų | 112 | 70% | 0.703 | 63% | 0.627 | S | S | * | * | | | trans | -126.8 | 66.8 | 149 | -44.5 | -178.4 | 0 | 0 | 0 | 109.8 | N1529 | I1527-N1529 HydrophobicContact CG2-CB 4.43Š|
| 1528 | K | 26.8 | Very low | 31.5 | Very low | 156 Ų | 156 | 113.9 Ų | 113.9 | 68% | 0.678 | 62% | 0.622 | S | S | * | * | | | trans | -106.8 | 69.3 | 135.7 | -148.3 | -171.1 | -171.8 | -168.4 | 0 | 109 | S1530 Y1761 | K1528-S1530 PolarHBondContact O-N 3.39Å; K1528-S1530 PolarHBondContact O-OG 2.84Å; K1528-Y1761 HydrophobicContact CB-CE1 4.37Å |
| 1529 | N | 40.2 | Very low | 31.5 | Very low | 134 Ų | 134 | 116.4 Ų | 116.4 | 72% | 0.717 | 63% | 0.63 | S | S | * | * | | | trans | -71.7 | 74.8 | 166 | -79.3 | 7.4 | 0 | 0 | 0 | 109.8 | I1527 | I1527-N1529 HydrophobicContact CG2-CB 4.43Š|
| 1530 | S | 29 | Very low | 31 | Very low | 75 Ų | 75 | 115.4 Ų | 115.4 | 52% | 0.524 | 63% | 0.626 | S | S | . | * | | | trans | -53.1 | 137.3 | 133.8 | 43.2 | 0 | 0 | 0 | 0 | 107.7 | K1528 | K1528-S1530 PolarHBondContact O-N 3.39Å; K1528-S1530 PolarHBondContact O-OG 2.84Å |
| 1531 | S | 33.8 | Very low | 31 | Very low | 101 Ų | 101 | 116.2 Ų | 116.2 | 71% | 0.706 | 64% | 0.638 | S | S | * | * | | | | 51.9 | 130.5 | 85.4 | -30.9 | 0 | 0 | 0 | 0 | 112 | | |
| 1532 | N | 31.2 | Very low | 31.3 | Very low | 155 Ų | 155 | 110 Ų | 110 | 83% | 0.829 | 63% | 0.625 | S | S | * | * | | | trans | 87 | 141.7 | -165.6 | -51 | -20.7 | 0 | 0 | 0 | 112.6 | | |
| 1533 | S | 36.5 | Very low | 31.2 | Very low | 95 Ų | 95 | 111.1 Ų | 111.1 | 66% | 0.664 | 63% | 0.626 | S | S | * | * | | | cis | -166.4 | 150.9 | -11.5 | 42.4 | 0 | 0 | 0 | 0 | 111.8 | | |
| 1534 | S | 31.9 | Very low | 31 | Very low | 113 Ų | 113 | 113.1 Ų | 113.1 | 79% | 0.79 | 64% | 0.64 | S | S | * | * | | | trans | -112.7 | 128.5 | 149.3 | 44.1 | 0 | 0 | 0 | 0 | 108.3 | | |
| 1535 | V | 42.1 | Very low | 31.2 | Very low | 120 Ų | 120 | 113.7 Ų | 113.7 | 73% | 0.727 | 65% | 0.647 | S | S | * | * | | | cis | 63.5 | 126.2 | 0 | -175.7 | 0 | 0 | 0 | 0 | 114.7 | | |
| 1536 | V | 32.4 | Very low | 31.1 | Very low | 95 Ų | 95 | 114.5 Ų | 114.5 | 58% | 0.576 | 65% | 0.65 | S | S | * | * | | | trans | -144.9 | 125.2 | -173.8 | 166.8 | 0 | 0 | 0 | 0 | 109.4 | K1538 | V1536-K1538 HydrophobicContact CG1-CB 3.78Å; V1536-K1538 HydrophobicContact CG1-CG 3.66Å |
| 1537 | F | 28.2 | Very low | 31.6 | Very low | 207 Ų | 207 | 114.9 Ų | 114.9 | 91% | 0.908 | 66% | 0.662 | S | S | * | * | | | | -128.6 | 120.7 | 118.6 | -81.9 | -77.1 | 0 | 0 | 0 | 105.3 | | |
| 1538 | K | 29.8 | Very low | 32.1 | Very low | 152 Ų | 152 | 115 Ų | 115 | 66% | 0.661 | 66% | 0.662 | S | S | * | * | | | | 53.7 | 89.1 | 57.2 | -90.2 | -146.3 | 162.6 | -167.4 | 0 | 113.1 | V1536 | V1536-K1538 HydrophobicContact CG1-CB 3.78Å; V1536-K1538 HydrophobicContact CG1-CG 3.66Å |
| 1539 | D | 30.5 | Very low | 33.1 | Very low | 128 Ų | 128 | 113.6 Ų | 113.6 | 68% | 0.684 | 66% | 0.657 | S | S | * | * | | | | 61.5 | 76.9 | 125.3 | -41.7 | -23.5 | 0 | 0 | 0 | 116.8 | | |
| 1540 | S | 27.8 | Very low | 32.6 | Very low | 102 Ų | 102 | 109.1 Ų | 109.1 | 71% | 0.713 | 64% | 0.635 | S | S | * | * | | | trans | -163.9 | 135 | 138.7 | -86.8 | 0 | 0 | 0 | 0 | 112.4 | | |
| 1541 | N | 23.5 | Very low | 33.2 | Very low | 131 Ų | 131 | 109.4 Ų | 109.4 | 70% | 0.701 | 64% | 0.636 | S | S | * | * | | | trans | 27 | 107 | 132.2 | -41.9 | -43.7 | 0 | 0 | 0 | 115.2 | | |
| 1542 | S | 31.8 | Very low | 33.3 | Very low | 72 Ų | 72 | 107.7 Ų | 107.7 | 50% | 0.503 | 62% | 0.624 | S | S | . | * | | | | -118.1 | 112.7 | 51.5 | 54.8 | 0 | 0 | 0 | 0 | 114.7 | S1544 | S1542-S1544 PolarHBondContact O-N 3.37Š|
| 1543 | I | 24.9 | Very low | 34 | Very low | 107 Ų | 107 | 104.3 Ų | 104.3 | 55% | 0.549 | 61% | 0.606 | S | S | . | * | | | trans | -83.6 | 61.6 | 175.3 | -45.6 | 178.8 | 0 | 0 | 0 | 110.3 | L204 | L204-I1543 HydrophobicContact CD1-CG2 3.97Å; L204-I1543 HydrophobicContact CD2-CD1 4.45Å; L204-I1543 HydrophobicContact CD2-CG2 4.21Å |
| 1544 | S | 23.3 | Very low | 33.6 | Very low | 88 Ų | 88 | 104.4 Ų | 104.4 | 62% | 0.615 | 61% | 0.607 | S | S | * | * | | | trans | -70.9 | 146.2 | 150.4 | -63.6 | 0 | 0 | 0 | 0 | 108.4 | S1542 | S1542-S1544 PolarHBondContact O-N 3.37Š|
| 1545 | S | 34 | Very low | 33.2 | Very low | 96 Ų | 96 | 103.9 Ų | 103.9 | 67% | 0.671 | 60% | 0.601 | S | S | * | * | | | trans | 47.1 | 70.7 | 165.5 | 49.7 | 0 | 0 | 0 | 0 | 114.7 | S1547 | S1545-S1547 VanDerWaalsContact CA-O 3.24Å; S1545-S1547 WeakPolarHBondContact CA-O 3.1Å; S1545-S1547 WeakPolarHBondContact CB-O 3.36Å |
| 1546 | T | 33.9 | Very low | 32.3 | Very low | 51 Ų | 51 | 104.1 Ų | 104.1 | 31% | 0.313 | 60% | 0.602 | S | S | . | * | | | cis | -53.4 | 136.7 | 44.6 | -20.7 | 0 | 0 | 0 | 0 | 116.3 | L204 M1548 | L204-T1546 VanDerWaalsContact CD1-CB 3.44Å; L204-T1546 HydrophobicContact CD1-CG2 3.97Å; T1546-M1548 WeakPolarHBondContact CA-O 3.24Å; T1546-M1548 WeakPolarHBondContact CG2-O 3.21Å |
| 1547 | S | 35.4 | Very low | 31.8 | Very low | 97 Ų | 97 | 104.7 Ų | 104.7 | 68% | 0.678 | 61% | 0.609 | S | S | * | * | | | | 85.5 | 58.6 | -128.1 | -163.9 | 0 | 0 | 0 | 0 | 109 | S1545 | S1545-S1547 VanDerWaalsContact CA-O 3.24Å; S1545-S1547 WeakPolarHBondContact CA-O 3.1Å; S1545-S1547 WeakPolarHBondContact CB-O 3.36Å |
| 1548 | M | 47.6 | Very low | 31.8 | Very low | 139 Ų | 139 | 100.3 Ų | 100.3 | 69% | 0.685 | 60% | 0.599 | S | S | * | * | S | Bend | cis | -100.4 | 161 | 31.9 | -63.8 | -62.6 | -96.3 | 0 | 0 | 116.1 | T1546 | T1546-M1548 WeakPolarHBondContact CA-O 3.24Å; T1546-M1548 WeakPolarHBondContact CG2-O 3.21Å |
| 1549 | H | 48.3 | Very low | 32.1 | Very low | 127 Ų | 127 | 98.5 Ų | 98.5 | 59% | 0.588 | 60% | 0.601 | S | S | * | * | | | trans | 11.7 | 128.5 | 157.9 | -57.7 | -53.8 | 0 | 0 | 0 | 122.9 | | |
| 1550 | T | 29.8 | Very low | 31.9 | Very low | 40 Ų | 40 | 99 Ų | 99 | 25% | 0.245 | 60% | 0.603 | C | S | . | * | | | | 50.3 | 79 | 102.5 | -24 | 0 | 0 | 0 | 0 | 118.5 | P198 S201 | P198-T1550 VanDerWaalsContact O-O 3.13Å; S201-T1550 WeakPolarHBondContact CB-OG1 3.16Å; S201-T1550 WeakPolarHBondContact OG-CG2 3.26Å; S201-T1550 PolarHBondContact OG-OG1 3.2Å |
| 1551 | C | 41.5 | Very low | 32.1 | Very low | 82 Ų | 82 | 98.4 Ų | 98.4 | 55% | 0.554 | 60% | 0.599 | S | S | * | * | | | trans | -150.6 | 94.1 | 168.9 | 59 | 0 | 0 | 0 | 0 | 119.3 | P198 L200 | P198-C1551 HydrophobicContact CB-CB 4.17Å; L200-C1551 VanDerWaalsContact CB-C 3.43Å; L200-C1551 VanDerWaalsContact CB-N 3.26Å; L200-C1551 WeakPolarHBondContact CB-O 3.24Å; L200-C1551 VanDerWaalsContact CD1-O 3.25Å; L200-C1551 WeakPolarHBondContact CD1-O 3.42Å |
| 1552 | S | 35.8 | Very low | 32 | Very low | 65 Ų | 65 | 96.7 Ų | 96.7 | 46% | 0.455 | 60% | 0.597 | S | S | . | * | | | trans | -141.9 | -21.5 | -179.1 | 62.4 | 0 | 0 | 0 | 0 | 124.1 | P198 L199 L200 | P198-S1552 VanDerWaalsContact C-N 3.26Å; L199-S1552 VanDerWaalsContact C-OG 3.24Å; L199-S1552 VanDerWaalsContact CA-OG 3.27Å; L199-S1552 WeakPolarHBondContact CA-OG 3.32Å; L199-S1552 VanDerWaalsContact CB-OG 3.32Å; L199-S1552 WeakPolarHBondContact CB-OG 3.2Å; L199-S1552 PolarHBondContact N-OG 3.32Å; L199-S1552 VanDerWaalsContact N-OG 3.07Å; L200-S1552 PolarHBondContact N-OG 3.37Å |
| 1553 | N | 44.5 | Very low | 31.6 | Very low | 83 Ų | 83 | 100 Ų | 100 | 44% | 0.444 | 61% | 0.609 | S | S | . | * | | | trans | -53.2 | 136.1 | 169.8 | -82 | -29 | 0 | 0 | 0 | 110.6 | T197 P198 | T197-N1553 PolarHBondContact O-ND2 3.48Å; P198-N1553 HydrophobicContact CB-CB 4.22Å; P198-N1553 VanDerWaalsContact CB-N 3.28Å |
| 1554 | S | 29.7 | Very low | 31.9 | Very low | 97 Ų | 97 | 102.6 Ų | 102.6 | 68% | 0.678 | 62% | 0.622 | S | S | * | * | | | cis | 71.7 | 115.5 | 49.4 | -168.8 | 0 | 0 | 0 | 0 | 114.4 | | |
| 1555 | P | 22.7 | Very low | 32.1 | Very low | 103 Ų | 103 | 103.5 Ų | 103.5 | 67% | 0.669 | 62% | 0.624 | S | S | * | * | | | cis | -102.2 | -158.8 | -25.7 | 32.1 | -13.8 | 0 | 0 | 0 | 109.3 | | |
| 1556 | V | 24 | Very low | 31.7 | Very low | 124 Ų | 124 | 106.3 Ų | 106.3 | 75% | 0.752 | 63% | 0.63 | S | S | * | * | | | | 30.3 | 143.7 | 83.6 | -154.9 | 0 | 0 | 0 | 0 | 114.9 | | |
| 1557 | C | 22 | Very low | 31.6 | Very low | 107 Ų | 107 | 109.3 Ų | 109.3 | 72% | 0.723 | 65% | 0.653 | S | S | * | * | | | trans | 67.8 | 141.8 | -178.9 | -59.1 | 0 | 0 | 0 | 0 | 113.6 | | |
| 1558 | T | 27.5 | Very low | 31.3 | Very low | 115 Ų | 115 | 112.1 Ų | 112.1 | 71% | 0.706 | 66% | 0.661 | S | S | * | * | | | cis | -158.8 | 151.9 | -5.1 | 8.2 | 0 | 0 | 0 | 0 | 105 | | |
| 1559 | V | 35.7 | Very low | 30.4 | Very low | 114 Ų | 114 | 111.3 Ų | 111.3 | 69% | 0.691 | 66% | 0.664 | S | S | * | * | | | cis | -144.5 | 136.2 | 35.9 | 174.6 | 0 | 0 | 0 | 0 | 106.1 | S1561 | V1559-S1561 VanDerWaalsContact CG1-OG 3.28Å; V1559-S1561 WeakPolarHBondContact CG1-OG 3.4Å |
| 1560 | N | 25.6 | Very low | 29.4 | Very low | 138 Ų | 138 | 116.1 Ų | 116.1 | 74% | 0.738 | 68% | 0.677 | S | S | * | * | | | cis | 68 | 45.3 | 23 | -155 | 25.1 | 0 | 0 | 0 | 117.7 | | |
| 1561 | S | 32 | Very low | 29.4 | Very low | 90 Ų | 90 | 121.9 Ų | 121.9 | 63% | 0.629 | 71% | 0.705 | S | S | * | * | | | trans | -150 | 113.2 | 149 | 39.3 | 0 | 0 | 0 | 0 | 106.1 | V1559 | V1559-S1561 VanDerWaalsContact CG1-OG 3.28Å; V1559-S1561 WeakPolarHBondContact CG1-OG 3.4Å |
| 1562 | C | 22.7 | Very low | 28.9 | Very low | 96 Ų | 96 | 122.7 Ų | 122.7 | 65% | 0.649 | 71% | 0.711 | S | S | * | * | | | cis | 56.7 | 108.9 | 23.6 | -62.8 | 0 | 0 | 0 | 0 | 112.5 | | |
| 1563 | N | 23.2 | Very low | 28.4 | Very low | 140 Ų | 140 | 124.7 Ų | 124.7 | 75% | 0.749 | 73% | 0.725 | S | S | * | * | | | trans | 66.4 | 134.5 | -177 | -48.6 | -40.7 | 0 | 0 | 0 | 113 | | |
| 1564 | I | 31.4 | Very low | 27.9 | Very low | 162 Ų | 162 | 126.8 Ų | 126.8 | 83% | 0.831 | 74% | 0.743 | S | S | * | * | | | cis | -101.5 | 114.9 | 27.2 | -58 | 164.1 | 0 | 0 | 0 | 112.6 | | |
| 1565 | V | 26 | Very low | 28 | Very low | 108 Ų | 108 | 129.9 Ų | 129.9 | 66% | 0.655 | 75% | 0.752 | S | S | * | * | | | trans | -113.8 | 164.1 | 154.7 | -179.9 | 0 | 0 | 0 | 0 | 106.2 | | |
| 1566 | L | 25.8 | Very low | 28.3 | Very low | 154 Ų | 154 | 133.4 Ų | 133.4 | 81% | 0.806 | 76% | 0.759 | S | S | * | * | | | trans | 78.2 | 78 | -175.8 | -54.8 | 169.6 | 0 | 0 | 0 | 115 | | |
| 1567 | S | 33 | Very low | 28.5 | Very low | 114 Ų | 114 | 133.3 Ų | 133.3 | 80% | 0.797 | 76% | 0.758 | S | S | * | * | | | trans | -135.8 | 14.9 | 143 | -70.9 | 0 | 0 | 0 | 0 | 112.4 | V1569 | S1567-V1569 PolarHBondContact O-N 3.03Š|
| 1568 | D | 29.4 | Very low | 28.9 | Very low | 157 Ų | 157 | 133.6 Ų | 133.6 | 84% | 0.84 | 76% | 0.759 | S | S | * | * | | | trans | -77.4 | 82.2 | -176.8 | -74 | -54.1 | 0 | 0 | 0 | 112.7 | | |
| 1569 | V | 28.8 | Very low | 28.9 | Very low | 122 Ų | 122 | 133.2 Ų | 133.2 | 74% | 0.739 | 76% | 0.761 | S | S | * | * | | | trans | -134.9 | 131.3 | 158.8 | -172 | 0 | 0 | 0 | 0 | 108.5 | S1567 | S1567-V1569 PolarHBondContact O-N 3.03Š|
| 1570 | R | 26.8 | Very low | 28.6 | Very low | 228 Ų | 228 | 132.8 Ų | 132.8 | 86% | 0.86 | 76% | 0.763 | S | S | * | * | | | trans | 80.4 | 126.9 | -170.1 | -47 | 161.4 | -166.9 | -143.2 | 0.7 | 111.3 | | |
| 1571 | L | 30.4 | Very low | 28.6 | Very low | 161 Ų | 161 | 131 Ų | 131 | 84% | 0.843 | 76% | 0.762 | S | S | * | * | | | | -147.9 | 156 | 61.3 | -88.3 | 159.7 | 0 | 0 | 0 | 115.1 | | |
| 1572 | S | 29.2 | Very low | 28.5 | Very low | 98 Ų | 98 | 133.5 Ų | 133.5 | 69% | 0.685 | 77% | 0.768 | S | S | * | * | | | trans | 50.4 | 77 | 155.8 | 54.3 | 0 | 0 | 0 | 0 | 119.4 | | |
| 1573 | S | 26.6 | Very low | 28.6 | Very low | 107 Ų | 107 | 133.7 Ų | 133.7 | 75% | 0.748 | 77% | 0.77 | S | S | * | * | | | | 47.2 | 79.2 | 119.4 | -46.8 | 0 | 0 | 0 | 0 | 120.4 | L1575 | S1573-L1575 PolarHBondContact O-N 3.06Š|
| 1574 | P | 34.3 | Very low | 29.2 | Very low | 127 Ų | 127 | 134.4 Ų | 134.4 | 83% | 0.825 | 77% | 0.772 | S | S | * | * | | | trans | -68 | 116.8 | 147.1 | -10.8 | 27.9 | 0 | 0 | 0 | 109 | Q1576 | P1574-Q1576 PolarHBondContact O-N 3Š|
| 1575 | L | 30.3 | Very low | 29 | Very low | 163 Ų | 163 | 133.2 Ų | 133.2 | 85% | 0.853 | 77% | 0.768 | S | S | * | * | | | trans | -73.7 | 114.3 | -174.4 | -102.8 | 152.8 | 0 | 0 | 0 | 112.4 | S1573 | S1573-L1575 PolarHBondContact O-N 3.06Š|
| 1576 | Q | 29 | Very low | 29.1 | Very low | 177 Ų | 177 | 132.9 Ų | 132.9 | 83% | 0.827 | 77% | 0.77 | S | S | * | * | | | trans | -78.5 | 117.6 | 173.1 | 179.2 | -175.3 | 28.2 | 0 | 0 | 110.6 | P1574 | P1574-Q1576 PolarHBondContact O-N 3Š|
| 1577 | V | 30 | Very low | 29.5 | Very low | 121 Ų | 121 | 133.5 Ų | 133.5 | 73% | 0.733 | 77% | 0.774 | S | S | * | * | | | trans | -135.4 | 108.1 | 164.5 | -176.9 | 0 | 0 | 0 | 0 | 109.3 | | |
| 1578 | P | 30.4 | Very low | 29.3 | Very low | 114 Ų | 114 | 134.9 Ų | 134.9 | 74% | 0.74 | 77% | 0.771 | S | S | * | * | | | trans | -81.6 | 133.7 | 179.1 | 32.2 | -32.6 | 0 | 0 | 0 | 111.2 | | |
| 1579 | S | 27.3 | Very low | 29.5 | Very low | 106 Ų | 106 | 134.9 Ų | 134.9 | 74% | 0.741 | 77% | 0.771 | S | S | * | * | | | trans | -107.3 | 126.3 | 167 | -67.4 | 0 | 0 | 0 | 0 | 109.8 | | |
| 1580 | S | 28.3 | Very low | 29.7 | Very low | 106 Ų | 106 | 135.6 Ų | 135.6 | 74% | 0.741 | 77% | 0.77 | S | S | * | * | | | trans | 46.1 | 107.1 | 171.4 | 54.3 | 0 | 0 | 0 | 0 | 117.2 | | |
| 1581 | S | 25.8 | Very low | 30.1 | Very low | 100 Ų | 100 | 130.5 Ų | 130.5 | 70% | 0.699 | 77% | 0.766 | S | S | * | * | | | | 56.5 | 90.4 | 62.9 | 85.7 | 0 | 0 | 0 | 0 | 114.4 | | |
| 1582 | N | 30.2 | Very low | 29.9 | Very low | 143 Ų | 143 | 129.8 Ų | 129.8 | 77% | 0.765 | 76% | 0.763 | S | S | * | * | | | | 174.7 | 95.3 | 119.1 | -80.8 | -12.2 | 0 | 0 | 0 | 107.2 | | |
| 1583 | S | 25 | Very low | 30 | Very low | 99 Ų | 99 | 131.6 Ų | 131.6 | 69% | 0.692 | 77% | 0.769 | S | S | * | * | | | | 47.9 | 106.7 | 76.8 | 77 | 0 | 0 | 0 | 0 | 113.7 | | |
| 1584 | I | 34.8 | Very low | 30 | Very low | 155 Ų | 155 | 134.2 Ų | 134.2 | 80% | 0.795 | 77% | 0.77 | S | S | * | * | | | | -166.9 | 126.6 | 110.8 | -93.4 | 155.7 | 0 | 0 | 0 | 109.6 | | |
| 1585 | N | 28.7 | Very low | 29.7 | Very low | 138 Ų | 138 | 132.9 Ų | 132.9 | 74% | 0.738 | 76% | 0.759 | S | S | * | * | | | trans | 27.4 | 110.6 | 156.8 | -58.9 | -1.3 | 0 | 0 | 0 | 120.3 | | |
| 1586 | S | 27.2 | Very low | 29.7 | Very low | 101 Ų | 101 | 132.8 Ų | 132.8 | 71% | 0.706 | 76% | 0.759 | S | S | * | * | | | | -8.7 | 131.7 | 119.4 | 54.8 | 0 | 0 | 0 | 0 | 116.9 | | |
| 1587 | N | 33.6 | Very low | 29.6 | Very low | 167 Ų | 167 | 130.4 Ų | 130.4 | 89% | 0.893 | 76% | 0.757 | S | S | * | * | | | | -147.9 | 147.1 | 123 | -126.8 | -19.1 | 0 | 0 | 0 | 111.7 | | |
| 1588 | I | 29.4 | Very low | 29.6 | Very low | 142 Ų | 142 | 128.1 Ų | 128.1 | 73% | 0.728 | 75% | 0.751 | S | S | * | * | | | trans | -95 | 135.2 | -171.6 | -64.7 | 161.3 | 0 | 0 | 0 | 109.5 | | |
| 1589 | N | 33.1 | Very low | 29.7 | Very low | 157 Ų | 157 | 128.5 Ų | 128.5 | 84% | 0.84 | 75% | 0.751 | S | S | * | * | | | trans | -158.4 | 149.7 | 134.9 | -117.3 | -40.8 | 0 | 0 | 0 | 114 | | |
| 1590 | I | 33.4 | Very low | 29.7 | Very low | 138 Ų | 138 | 127.8 Ų | 127.8 | 71% | 0.708 | 75% | 0.746 | S | S | * | * | | | trans | -91 | 141 | -177.9 | -67.2 | 169.8 | 0 | 0 | 0 | 108.7 | N1592 | I1590-N1592 PolarHBondContact O-N 3.45Š|
| 1591 | P | 35.4 | Very low | 29.8 | Very low | 120 Ų | 120 | 132.4 Ų | 132.4 | 78% | 0.779 | 75% | 0.753 | S | S | * | * | | | trans | -65.9 | 106.5 | 177.2 | 26.7 | -35.4 | 0 | 0 | 0 | 111.5 | | |
| 1592 | N | 27.1 | Very low | 29.9 | Very low | 146 Ų | 146 | 133.7 Ų | 133.7 | 78% | 0.781 | 76% | 0.757 | S | S | * | * | | | trans | -83.5 | 125.8 | 168.5 | -172.2 | 13.8 | 0 | 0 | 0 | 109.7 | I1590 H1594 | I1590-N1592 PolarHBondContact O-N 3.45Å; N1592-H1594 PolarHBondContact O-N 3Å |
| 1593 | V | 29.3 | Very low | 30.1 | Very low | 136 Ų | 136 | 132.4 Ų | 132.4 | 82% | 0.824 | 76% | 0.756 | S | S | * | * | | | trans | -85.9 | 107.7 | -179.7 | 177.8 | 0 | 0 | 0 | 0 | 109.4 | | |
| 1594 | H | 26.6 | Very low | 30.1 | Very low | 163 Ų | 163 | 133.1 Ų | 133.1 | 76% | 0.755 | 76% | 0.76 | S | S | * | * | | | trans | -147.9 | 150.1 | 175.7 | -147.8 | 52.7 | 0 | 0 | 0 | 113.9 | N1592 | N1592-H1594 PolarHBondContact O-N 3Š|
| 1595 | V | 28 | Very low | 29.6 | Very low | 98 Ų | 98 | 133.4 Ų | 133.4 | 59% | 0.594 | 76% | 0.758 | S | S | * | * | | | trans | 58.8 | 97.6 | 172.7 | -158.7 | 0 | 0 | 0 | 0 | 116.8 | | |
| 1596 | N | 32.3 | Very low | 29.5 | Very low | 161 Ų | 161 | 131.7 Ų | 131.7 | 86% | 0.861 | 76% | 0.757 | S | S | * | * | | | | -148.2 | 130.1 | 105.2 | -101.3 | -31.3 | 0 | 0 | 0 | 111.6 | | |
| 1597 | T | 25.5 | Very low | 29.6 | Very low | 128 Ų | 128 | 131.6 Ų | 131.6 | 79% | 0.785 | 76% | 0.762 | S | S | * | * | | | trans | -90 | 178.8 | 173.7 | 52.4 | 0 | 0 | 0 | 0 | 108.7 | | |
| 1598 | A | 29.7 | Very low | 29.5 | Very low | 73 Ų | 73 | 131.2 Ų | 131.2 | 60% | 0.603 | 76% | 0.76 | S | S | * | * | | | cis | -157 | -178.9 | 16.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 1599 | T | 33.6 | Very low | 29.3 | Very low | 121 Ų | 121 | 131.2 Ų | 131.2 | 74% | 0.742 | 76% | 0.761 | S | S | * | * | | | trans | 52.4 | 104.3 | 155.7 | 53.3 | 0 | 0 | 0 | 0 | 118.1 | | |
| 1600 | S | 26.6 | Very low | 29.2 | Very low | 92 Ų | 92 | 131 Ų | 131 | 64% | 0.643 | 76% | 0.759 | S | S | * | * | | | | 63.6 | 113.9 | 65.2 | 81.8 | 0 | 0 | 0 | 0 | 115.4 | | |
| 1601 | F | 31.5 | Very low | 28.9 | Very low | 203 Ų | 203 | 129.2 Ų | 129.2 | 89% | 0.89 | 76% | 0.76 | S | S | * | * | | | | -158.9 | 165.4 | 125 | -102.8 | -64.7 | 0 | 0 | 0 | 110.6 | | |
| 1602 | T | 27.4 | Very low | 28.5 | Very low | 127 Ų | 127 | 131 Ų | 131 | 78% | 0.779 | 76% | 0.761 | S | S | * | * | | | trans | -96.2 | 165.7 | -159.3 | 19.5 | 0 | 0 | 0 | 0 | 114.5 | | |
| 1603 | P | 33.8 | Very low | 28.7 | Very low | 115 Ų | 115 | 130.2 Ų | 130.2 | 75% | 0.747 | 76% | 0.761 | S | S | * | * | | | trans | -86.5 | 160.3 | -166.2 | 35.4 | -37.6 | 0 | 0 | 0 | 114 | | |
| 1604 | C | 24.2 | Very low | 28.4 | Very low | 115 Ų | 115 | 131.1 Ų | 131.1 | 78% | 0.777 | 76% | 0.761 | S | S | * | * | | | trans | -165 | 144.9 | 147.6 | -103.5 | 0 | 0 | 0 | 0 | 114.6 | | |
| 1605 | H | 26 | Very low | 28.4 | Very low | 161 Ų | 161 | 128.5 Ų | 128.5 | 75% | 0.745 | 76% | 0.761 | S | S | * | * | | | trans | 39 | 101.7 | 142.7 | -67.8 | -56.4 | 0 | 0 | 0 | 122.3 | | |
| 1606 | S | 26.6 | Very low | 28.6 | Very low | 102 Ų | 102 | 129.4 Ų | 129.4 | 71% | 0.713 | 77% | 0.769 | S | S | * | * | | | | 45.4 | 139.5 | 109.4 | 65.8 | 0 | 0 | 0 | 0 | 122.4 | | |
| 1607 | A | 27.9 | Very low | 28.8 | Very low | 99 Ų | 99 | 126.7 Ų | 126.7 | 82% | 0.818 | 76% | 0.76 | S | S | * | * | | | trans | 76.8 | 105.4 | 155.5 | 0 | 0 | 0 | 0 | 0 | 118.1 | | |
| 1608 | N | 31.2 | Very low | 29 | Very low | 159 Ų | 159 | 127.7 Ų | 127.7 | 85% | 0.85 | 76% | 0.759 | S | S | * | * | | | | -147.2 | 147 | 121.3 | -146.7 | -12.3 | 0 | 0 | 0 | 111.9 | | |
| 1609 | L | 26.8 | Very low | 28.8 | Very low | 141 Ų | 141 | 129.9 Ų | 129.9 | 74% | 0.738 | 77% | 0.77 | S | S | * | * | | | trans | -122.2 | 149.5 | 167.5 | -95 | 170.9 | 0 | 0 | 0 | 107.7 | | |
| 1610 | N | 29.9 | Very low | 28.5 | Very low | 152 Ų | 152 | 127.8 Ų | 127.8 | 81% | 0.813 | 77% | 0.772 | S | S | * | * | | | trans | 68.9 | 85.2 | 170.6 | -45.6 | -41 | 0 | 0 | 0 | 116 | | |
| 1611 | S | 27 | Very low | 28.5 | Very low | 102 Ų | 102 | 131.9 Ų | 131.9 | 71% | 0.713 | 78% | 0.781 | S | S | * | * | | | trans | -89.5 | 130.5 | 145.1 | 44.7 | 0 | 0 | 0 | 0 | 109.6 | | |
| 1612 | I | 28.2 | Very low | 28.1 | Very low | 156 Ų | 156 | 128 Ų | 128 | 80% | 0.8 | 77% | 0.765 | S | S | * | * | S | Bend | trans | 59.9 | 112.7 | 142 | -55.1 | 168.6 | 0 | 0 | 0 | 115.4 | | |
| 1613 | T | 30.1 | Very low | 28.3 | Very low | 130 Ų | 130 | 128.8 Ų | 128.8 | 80% | 0.798 | 76% | 0.758 | S | S | * | * | | | cis | -155.9 | 127.3 | 31.5 | -13 | 0 | 0 | 0 | 0 | 113.9 | | |
| 1614 | L | 24.2 | Very low | 28 | Very low | 155 Ų | 155 | 126.4 Ų | 126.4 | 81% | 0.812 | 74% | 0.739 | S | S | * | * | | | trans | -33.3 | 158.1 | 134.9 | -74.6 | 154.5 | 0 | 0 | 0 | 113.9 | | |
| 1615 | S | 26.6 | Very low | 28.2 | Very low | 108 Ų | 108 | 127.6 Ų | 127.6 | 76% | 0.755 | 73% | 0.727 | S | S | * | * | | | cis | -156.3 | -167.6 | 16.8 | -18.9 | 0 | 0 | 0 | 0 | 111.2 | | |
| 1616 | P | 32 | Very low | 28.2 | Very low | 117 Ų | 117 | 127.9 Ų | 127.9 | 76% | 0.76 | 73% | 0.726 | S | S | * | * | | | trans | -121.7 | -134.1 | -158.8 | 41.3 | -20.7 | 0 | 0 | 0 | 112 | | |
| 1617 | P | 36.1 | Very low | 28.4 | Very low | 104 Ų | 104 | 128 Ų | 128 | 68% | 0.675 | 73% | 0.727 | S | S | * | * | | | cis | -132.9 | -148.2 | -22.7 | 30.5 | -5.1 | 0 | 0 | 0 | 113.3 | | |
| 1618 | I | 29.2 | Very low | 28.3 | Very low | 150 Ų | 150 | 131.8 Ų | 131.8 | 77% | 0.769 | 73% | 0.727 | S | S | * | * | | | trans | 86.5 | 98.3 | 164.7 | -52.6 | 165 | 0 | 0 | 0 | 113.6 | | |
| 1619 | S | 25.8 | Very low | 28.3 | Very low | 118 Ų | 118 | 132.4 Ų | 132.4 | 83% | 0.825 | 73% | 0.729 | S | S | * | * | | | | 79.5 | 118.2 | 67 | -172.7 | 0 | 0 | 0 | 0 | 114.2 | | |
| 1620 | G | 27.1 | Very low | 28.5 | Very low | 77 Ų | 77 | 133.1 Ų | 133.1 | 79% | 0.794 | 73% | 0.732 | S | S | * | * | | | trans | -178.7 | 110.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 1621 | H | 26.6 | Very low | 28.8 | Very low | 179 Ų | 179 | 130.6 Ų | 130.6 | 83% | 0.829 | 72% | 0.724 | S | S | * | * | | | trans | -58.1 | 130.6 | -174.2 | -89.8 | -125.3 | 0 | 0 | 0 | 118.2 | | |
| 1622 | H | 24.4 | Very low | 28.9 | Very low | 120 Ų | 120 | 133.1 Ų | 133.1 | 56% | 0.556 | 73% | 0.728 | S | S | * | * | | | | 39.5 | 110.3 | 106.5 | -151.6 | -55.6 | 0 | 0 | 0 | 119.2 | | |
| 1623 | F | 31.2 | Very low | 28.8 | Very low | 145 Ų | 145 | 133.5 Ų | 133.5 | 64% | 0.636 | 73% | 0.73 | S | S | * | * | | | trans | -158.4 | 155.6 | 143.9 | -108.4 | -67.8 | 0 | 0 | 0 | 113.7 | V1185 | V1185-F1623 HydrophobicContact CG2-CB 3.58Å; V1185-F1623 HydrophobicContact CG2-CG 4.46Å |
| 1624 | I | 27.4 | Very low | 28.6 | Very low | 65 Ų | 65 | 131.5 Ų | 131.5 | 33% | 0.333 | 72% | 0.722 | S | S | . | * | | | trans | -119 | 147.4 | -178.4 | -66.3 | 158.6 | 0 | 0 | 0 | 108.7 | H1181 N1183 S1184 | H1181-I1624 WeakPolarHBondContact ND1-CD1 3.18Å; N1183-I1624 CarbonylContact C-O 3.45Å; N1183-I1624 VanDerWaalsContact CA-O 3.32Å; N1183-I1624 WeakPolarHBondContact CA-O 3.27Å; S1184-I1624 WeakPolarHBondContact CA-O 3.47Å; S1184-I1624 PolarHBondContact N-O 2.78Å |
| 1625 | R | 28.8 | Very low | 28.8 | Very low | 140 Ų | 140 | 132.9 Ų | 132.9 | 53% | 0.528 | 72% | 0.724 | S | S | . | * | | | trans | -145.9 | 126.4 | 157.1 | -161.7 | -175.4 | -85.4 | -129.4 | 0 | 109.9 | S1184 V1185 S1186 | S1184-R1625 PolarHBondContact O-NH2 3.16Å; V1185-R1625 VanDerWaalsContact C-NH2 3.27Å; V1185-R1625 PolarHBondContact O-NE 3.04Å; V1185-R1625 PolarHBondContact O-NH2 3.09Å; S1186-R1625 PolarHBondContact OG-NH2 3.28Å |
| 1626 | K | 24.8 | Very low | 28.6 | Very low | 167 Ų | 167 | 133.3 Ų | 133.3 | 73% | 0.726 | 73% | 0.726 | S | S | * | * | | | trans | -88.3 | 146.5 | 176.7 | -64.4 | 178 | 177.3 | 179.4 | 0 | 111.7 | | |
| 1627 | S | 30.2 | Very low | 28.4 | Very low | 105 Ų | 105 | 135.7 Ų | 135.7 | 73% | 0.734 | 73% | 0.73 | S | S | * | * | | | trans | -159.6 | 105.2 | 156.3 | 49.2 | 0 | 0 | 0 | 0 | 108.9 | | |
| 1628 | H | 27.4 | Very low | 27.9 | Very low | 177 Ų | 177 | 140 Ų | 140 | 82% | 0.819 | 74% | 0.741 | S | S | * | * | | | | 69.4 | 98.9 | 90.8 | -72.3 | -66.7 | 0 | 0 | 0 | 114 | | |
| 1629 | L | 30.5 | Very low | 27.9 | Very low | 172 Ų | 172 | 137.9 Ų | 137.9 | 90% | 0.901 | 74% | 0.74 | S | S | * | * | | | | -178.6 | 135.8 | 112 | -95 | 163.1 | 0 | 0 | 0 | 113.2 | | |
| 1630 | I | 30.2 | Very low | 27.8 | Very low | 156 Ų | 156 | 140.7 Ų | 140.7 | 80% | 0.8 | 74% | 0.74 | S | S | * | * | | | trans | -148.5 | 151.2 | 171.1 | -65.2 | 174.9 | 0 | 0 | 0 | 103.8 | | |
| 1631 | P | 36.2 | Very low | 27.7 | Very low | 99 Ų | 99 | 144.6 Ų | 144.6 | 64% | 0.643 | 74% | 0.741 | S | S | * | * | | | cis | -122.6 | 175.6 | -16 | 37.8 | -24.3 | 0 | 0 | 0 | 113.1 | | |
| 1632 | I | 31 | Very low | 28.2 | Very low | 156 Ų | 156 | 141.6 Ų | 141.6 | 80% | 0.8 | 74% | 0.738 | S | S | * | * | | | trans | -139 | 142.8 | 138.7 | -62.2 | -172.7 | 0 | 0 | 0 | 108.2 | S1634 | I1632-S1634 WeakPolarHBondContact CG2-OG 3.31Š|
| 1633 | I | 25.1 | Very low | 28.2 | Very low | 163 Ų | 163 | 141.2 Ų | 141.2 | 84% | 0.836 | 75% | 0.748 | S | S | * | * | | | trans | -131 | 103.2 | 176.9 | -53.3 | 170.2 | 0 | 0 | 0 | 108.6 | | |
| 1634 | S | 26.6 | Very low | 28.5 | Very low | 89 Ų | 89 | 139.8 Ų | 139.8 | 62% | 0.622 | 75% | 0.754 | S | S | * | * | | | trans | -178.7 | 137.6 | 179.1 | 49 | 0 | 0 | 0 | 0 | 109.4 | I1632 | I1632-S1634 WeakPolarHBondContact CG2-OG 3.31Š|
| 1635 | Q | 28.3 | Very low | 28.4 | Very low | 184 Ų | 184 | 142.1 Ų | 142.1 | 86% | 0.86 | 78% | 0.776 | S | S | * | * | | | cis | -127.5 | 153.9 | -4 | -81 | 126.3 | -44.9 | 0 | 0 | 110.6 | | |
| 1636 | C | 22.3 | Very low | 28.2 | Very low | 117 Ų | 117 | 142.4 Ų | 142.4 | 79% | 0.791 | 79% | 0.788 | S | S | * | * | | | trans | -107.3 | 164.6 | 150.7 | -65.1 | 0 | 0 | 0 | 0 | 108.4 | | |
| 1637 | I | 26.8 | Very low | 28.2 | Very low | 166 Ų | 166 | 145.9 Ų | 145.9 | 85% | 0.851 | 80% | 0.798 | S | S | * | * | | | trans | 73.7 | 101 | 172 | -45.8 | 163.2 | 0 | 0 | 0 | 114.6 | | |
| 1638 | E | 26.8 | Very low | 27.8 | Very low | 195 Ų | 195 | 146.3 Ų | 146.3 | 91% | 0.911 | 80% | 0.796 | S | S | * | * | | | trans | -132.4 | 154.3 | 131.7 | -168.4 | 152.2 | -141.7 | 0 | 0 | 108.4 | | |
| 1639 | S | 29.1 | Very low | 27.8 | Very low | 106 Ų | 106 | 144.8 Ų | 144.8 | 74% | 0.741 | 79% | 0.793 | S | S | * | * | | | trans | -103.5 | 159.2 | -158 | 49.5 | 0 | 0 | 0 | 0 | 115.3 | | |
| 1640 | H | 23 | Very low | 27.6 | Very low | 177 Ų | 177 | 140.7 Ų | 140.7 | 82% | 0.819 | 79% | 0.792 | S | S | * | * | | | trans | -73.7 | 151.6 | 177 | -73.9 | -88.9 | 0 | 0 | 0 | 114.4 | | |
| 1641 | L | 24.1 | Very low | 27.4 | Very low | 158 Ų | 158 | 141.7 Ų | 141.7 | 83% | 0.827 | 79% | 0.791 | S | S | * | * | | | trans | 69 | 156 | 164.8 | -89 | 73.6 | 0 | 0 | 0 | 117.8 | | |
| 1642 | P | 37.5 | Very low | 27 | Very low | 117 Ų | 117 | 143 Ų | 143 | 76% | 0.76 | 79% | 0.793 | S | S | * | * | | | cis | -131.2 | 174 | -16.6 | 37.4 | -20.1 | 0 | 0 | 0 | 114.9 | | |
| 1643 | S | 24.9 | Very low | 26.9 | Very low | 111 Ų | 111 | 143.2 Ų | 143.2 | 78% | 0.776 | 79% | 0.79 | S | S | * | * | | | trans | -80.3 | -176 | 170.7 | -16.7 | 0 | 0 | 0 | 0 | 112.7 | | |
| 1644 | P | 36.8 | Very low | 27.1 | Very low | 116 Ų | 116 | 143.6 Ų | 143.6 | 75% | 0.753 | 79% | 0.793 | S | S | * | * | | | cis | -132.3 | 158.1 | -21.3 | 37.2 | -21.9 | 0 | 0 | 0 | 114 | | |
| 1645 | S | 26.2 | Very low | 27.2 | Very low | 114 Ų | 114 | 146.2 Ų | 146.2 | 80% | 0.797 | 80% | 0.801 | S | S | * | * | | | trans | -160.6 | 125.5 | 163.3 | -75.4 | 0 | 0 | 0 | 0 | 115.5 | | |
| 1646 | N | 24.9 | Very low | 27.2 | Very low | 145 Ų | 145 | 146.3 Ų | 146.3 | 78% | 0.775 | 80% | 0.801 | S | S | * | * | | | trans | 17.3 | 116.7 | 144.6 | -54.8 | -22 | 0 | 0 | 0 | 120.4 | | |
| 1647 | Y | 23.7 | Very low | 27.4 | Very low | 241 Ų | 241 | 146.3 Ų | 146.3 | 95% | 0.945 | 80% | 0.797 | S | S | * | * | | | trans | -111 | 137.1 | 135.9 | -95.9 | -92.8 | 0 | 0 | 0 | 109 | | |
| 1648 | T | 23.5 | Very low | 27.3 | Very low | 113 Ų | 113 | 147.7 Ų | 147.7 | 69% | 0.693 | 80% | 0.798 | S | S | * | * | | | trans | -146.4 | 167.3 | -174.7 | -48.2 | 0 | 0 | 0 | 0 | 109.3 | | |
| 1649 | I | 25.9 | Very low | 27.2 | Very low | 145 Ų | 145 | 144.4 Ų | 144.4 | 74% | 0.744 | 79% | 0.791 | S | S | * | * | | | trans | 78.9 | 87.1 | 171.2 | -44.3 | 177.4 | 0 | 0 | 0 | 114.6 | K1651 | I1649-K1651 HydrophobicContact CG2-CB 3.99Š|
| 1650 | G | 27.6 | Very low | 27.2 | Very low | 86 Ų | 86 | 144.1 Ų | 144.1 | 89% | 0.887 | 79% | 0.789 | S | S | * | * | | | trans | -100.6 | 106.7 | 145.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | | |
| 1651 | K | 25.4 | Very low | 27.5 | Very low | 177 Ų | 177 | 143.5 Ų | 143.5 | 77% | 0.77 | 79% | 0.791 | S | S | * | * | | | trans | -150.1 | 110.3 | -178.7 | -133.7 | -170.5 | -173.5 | -174.3 | 0 | 111.3 | I1649 | I1649-K1651 HydrophobicContact CG2-CB 3.99Š|
| 1652 | N | 27.1 | Very low | 27.6 | Very low | 128 Ų | 128 | 143.2 Ų | 143.2 | 68% | 0.684 | 79% | 0.789 | S | S | * | * | | | | 154.3 | 141.7 | 127.1 | -81.5 | -7.7 | 0 | 0 | 0 | 114.1 | | |
| 1653 | H | 28.8 | Very low | 27.2 | Very low | 159 Ų | 159 | 148.1 Ų | 148.1 | 74% | 0.736 | 79% | 0.794 | S | S | * | * | | | trans | 38.3 | 105.4 | 153.9 | -56.8 | -59.4 | 0 | 0 | 0 | 120.2 | | |
| 1654 | N | 30.8 | Very low | 27.3 | Very low | 171 Ų | 171 | 147.2 Ų | 147.2 | 91% | 0.914 | 78% | 0.781 | S | S | * | * | | | | -148.1 | 147.8 | 121 | -108.7 | -43.8 | 0 | 0 | 0 | 110.9 | | |
| 1655 | N | 27.6 | Very low | 27.1 | Very low | 145 Ų | 145 | 143 Ų | 143 | 78% | 0.775 | 75% | 0.753 | S | S | * | * | | | trans | -91.5 | 134.2 | -178.5 | -65.8 | -26.2 | 0 | 0 | 0 | 110.7 | | |
| 1656 | Q | 29.3 | Very low | 27.4 | Very low | 186 Ų | 186 | 145.3 Ų | 145.3 | 87% | 0.869 | 76% | 0.757 | S | S | * | * | | | trans | -155.9 | 122.6 | 144.1 | -125.6 | 165 | 74.9 | 0 | 0 | 111.7 | | |
| 1657 | T | 25 | Very low | 27.5 | Very low | 116 Ų | 116 | 147.9 Ų | 147.9 | 71% | 0.712 | 76% | 0.756 | S | S | * | * | | | trans | -100.1 | 121.7 | 177.2 | -57.7 | 0 | 0 | 0 | 0 | 108.8 | T1659 | T1657-T1659 HydrophobicContact CG2-CG2 4.08Š|
| 1658 | F | 25.2 | Very low | 27.9 | Very low | 196 Ų | 196 | 141.8 Ų | 141.8 | 86% | 0.86 | 75% | 0.748 | S | S | * | * | | | trans | -132.5 | 110.5 | 158.6 | -104.5 | -78.9 | 0 | 0 | 0 | 109.6 | | |
| 1659 | T | 25.3 | Very low | 28.1 | Very low | 125 Ų | 125 | 144.4 Ų | 144.4 | 77% | 0.767 | 75% | 0.75 | S | S | * | * | | | trans | -104.7 | 120.1 | 177.8 | 47.7 | 0 | 0 | 0 | 0 | 109.7 | T1657 | T1657-T1659 HydrophobicContact CG2-CG2 4.08Š|
| 1660 | S | 27.7 | Very low | 28.5 | Very low | 100 Ų | 100 | 146.1 Ų | 146.1 | 70% | 0.699 | 76% | 0.757 | S | S | * | * | | | trans | -152.8 | 114 | 165.8 | 61.9 | 0 | 0 | 0 | 0 | 113.6 | | |
| 1661 | N | 29.5 | Very low | 28.5 | Very low | 164 Ų | 164 | 149.6 Ų | 149.6 | 88% | 0.877 | 76% | 0.756 | S | S | * | * | | | trans | 70.5 | 101.7 | 141.9 | -55.4 | -6.1 | 0 | 0 | 0 | 119.6 | | |
| 1662 | I | 28 | Very low | 28.9 | Very low | 152 Ų | 152 | 148.8 Ų | 148.8 | 78% | 0.779 | 76% | 0.758 | S | S | * | * | | | trans | -81.7 | 137.2 | 157.2 | -63 | 159.5 | 0 | 0 | 0 | 109 | | |
| 1663 | Y | 28 | Very low | 29 | Very low | 220 Ų | 220 | 153.5 Ų | 153.5 | 86% | 0.863 | 77% | 0.766 | S | S | * | * | | | trans | -158.1 | 101.4 | 155.5 | -120.3 | -90.9 | 0 | 0 | 0 | 106.8 | | |
| 1664 | N | 26.6 | Very low | 29.2 | Very low | 92 Ų | 92 | 152.2 Ų | 152.2 | 49% | 0.492 | 77% | 0.772 | S | S | . | * | | | | 83.3 | 133.4 | 69.5 | -167.3 | 49.3 | 0 | 0 | 0 | 112.7 | H1272 | H1272-N1664 PolarHBondContact CD2-OD1 2.65Š|
| 1665 | P | 33 | Very low | 29.1 | Very low | 28 Ų | 28 | 151.5 Ų | 151.5 | 18% | 0.182 | 77% | 0.768 | C | S | . | * | | | trans | -87.5 | 177.5 | -165.9 | -6.6 | 25.1 | 0 | 0 | 0 | 115.9 | N1270 | N1270-P1665 HydrophobicContact CB-CB 3.48Å; N1270-P1665 VanDerWaalsContact CB-CB 3.48Å; N1270-P1665 HydrophobicContact CB-CG 3.4Å; N1270-P1665 VanDerWaalsContact CB-CG 3.4Å; N1270-P1665 VanDerWaalsContact CG-CG 3.4Å; N1270-P1665 WeakPolarHBondContact OD1-CG 3.42Å |
| 1666 | N | 33.2 | Very low | 29.4 | Very low | 162 Ų | 162 | 151.5 Ų | 151.5 | 87% | 0.866 | 77% | 0.767 | S | S | * | * | | | trans | -152.2 | 168.2 | 143.9 | -111.6 | -60 | 0 | 0 | 0 | 115.3 | | |
| 1667 | R | 26.4 | Very low | 29.5 | Very low | 200 Ų | 200 | 149.7 Ų | 149.7 | 76% | 0.755 | 76% | 0.763 | S | S | * | * | | | trans | -95.3 | 153.6 | -165.9 | -58.9 | 168.1 | 163.1 | -150.7 | -0.6 | 115.3 | F1669 | R1667-F1669 HydrophobicContact CB-CD2 4.5Š|
| 1668 | S | 32.9 | Very low | 29.6 | Very low | 112 Ų | 112 | 150.7 Ų | 150.7 | 78% | 0.783 | 77% | 0.769 | S | S | * | * | | | | -174 | 105.7 | 124.6 | 56.3 | 0 | 0 | 0 | 0 | 110.3 | | |
| 1669 | F | 26.4 | Very low | 29.9 | Very low | 168 Ų | 168 | 146.9 Ų | 146.9 | 74% | 0.737 | 76% | 0.762 | S | S | * | * | | | | 40.3 | 106.8 | 84.3 | -80.4 | -83.2 | 0 | 0 | 0 | 116 | R1667 | R1667-F1669 HydrophobicContact CB-CD2 4.5Š|
| 1670 | M | 35 | Very low | 30.2 | Very low | 182 Ų | 182 | 146.7 Ų | 146.7 | 90% | 0.897 | 76% | 0.762 | S | S | * | * | | | trans | -167.7 | 129.5 | 136 | -101.1 | -64.1 | -179.3 | 0 | 0 | 109.5 | | |
| 1671 | N | 27.8 | Very low | 30.3 | Very low | 159 Ų | 159 | 151 Ų | 151 | 85% | 0.85 | 77% | 0.771 | S | S | * | * | | | trans | -97.6 | 121.5 | 174.9 | -105.1 | -50.4 | 0 | 0 | 0 | 109.7 | | |
| 1672 | I | 33.1 | Very low | 30.5 | Very low | 160 Ų | 160 | 152.7 Ų | 152.7 | 82% | 0.821 | 77% | 0.771 | S | S | * | * | | | trans | -133.8 | 122.9 | 160.3 | -57.7 | -177.3 | 0 | 0 | 0 | 108.1 | | |
| 1673 | R | 30.3 | Very low | 30.8 | Very low | 227 Ų | 227 | 151.2 Ų | 151.2 | 86% | 0.857 | 77% | 0.771 | S | S | * | * | | | trans | -76.6 | 149.1 | 179.7 | -75.7 | 178.7 | 170.6 | 173.2 | -4.4 | 111.2 | N1675 | R1673-N1675 PolarHBondContact O-N 3.08Š|
| 1674 | P | 32.1 | Very low | 31 | Very low | 132 Ų | 132 | 145.7 Ų | 145.7 | 86% | 0.857 | 77% | 0.765 | S | S | * | * | | | trans | -63.3 | 136.1 | 172.5 | 28 | -34.6 | 0 | 0 | 0 | 110.4 | | |
| 1675 | N | 29.8 | Very low | 31.3 | Very low | 155 Ų | 155 | 149.5 Ų | 149.5 | 83% | 0.829 | 78% | 0.784 | S | S | * | * | | | trans | -111.4 | 161 | 173.5 | -139.7 | -13.5 | 0 | 0 | 0 | 109.6 | R1673 | R1673-N1675 PolarHBondContact O-N 3.08Š|
| 1676 | L | 32.4 | Very low | 31.2 | Very low | 146 Ų | 146 | 155.7 Ų | 155.7 | 76% | 0.764 | 81% | 0.811 | S | S | * | * | | | trans | -65.7 | 147.6 | -162.1 | -84.5 | 72 | 0 | 0 | 0 | 115.3 | | |
| 1677 | L | 31.1 | Very low | 31.1 | Very low | 148 Ų | 148 | 153.8 Ų | 153.8 | 78% | 0.775 | 81% | 0.805 | S | S | * | * | | | trans | 30.6 | 122.5 | 154.7 | -83.3 | 71.9 | 0 | 0 | 0 | 118.9 | | |
| 1678 | T | 28 | Very low | 31.3 | Very low | 136 Ų | 136 | 154.5 Ų | 154.5 | 83% | 0.834 | 81% | 0.807 | S | S | * | * | | | trans | -136.4 | 123.5 | 139.5 | -53.5 | 0 | 0 | 0 | 0 | 108.4 | | |
| 1679 | V | 31.5 | Very low | 31.2 | Very low | 117 Ų | 117 | 158.1 Ų | 158.1 | 71% | 0.709 | 81% | 0.809 | S | S | * | * | | | trans | -72.5 | 131.7 | 177 | 175.9 | 0 | 0 | 0 | 0 | 108.7 | Q1681 | V1679-Q1681 PolarHBondContact O-N 3.35Å; V1679-Q1681 VanDerWaalsContact O-N 3.12Å |
| 1680 | P | 32.4 | Very low | 31.5 | Very low | 120 Ų | 120 | 154.6 Ų | 154.6 | 78% | 0.779 | 81% | 0.811 | S | S | * | * | | | trans | -63.2 | 114.6 | 178.5 | -22.7 | 33.7 | 0 | 0 | 0 | 112 | K1682 | P1680-K1682 PolarHBondContact O-N 3.16Š|
| 1681 | Q | 30 | Very low | 31.4 | Very low | 191 Ų | 191 | 151.1 Ų | 151.1 | 89% | 0.893 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 129.8 | 161.6 | -74.2 | -176.1 | -24.2 | 0 | 0 | 108.7 | V1679 | V1679-Q1681 PolarHBondContact O-N 3.35Å; V1679-Q1681 VanDerWaalsContact O-N 3.12Å |
| 1682 | K | 32.9 | Very low | 31.6 | Very low | 199 Ų | 199 | 149.8 Ų | 149.8 | 87% | 0.865 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 141.2 | 169.5 | -91 | -175.6 | 173.2 | 179.3 | 0 | 109.6 | P1680 | P1680-K1682 PolarHBondContact O-N 3.16Š|
| 1683 | P | 34.1 | Very low | 31.6 | Very low | 121 Ų | 121 | 149.9 Ų | 149.9 | 79% | 0.786 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 140.5 | -166.9 | 26.9 | -35.5 | 0 | 0 | 0 | 112.7 | | |
| 1684 | S | 32.3 | Very low | 31.6 | Very low | 105 Ų | 105 | 150.3 Ų | 150.3 | 73% | 0.734 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -78.5 | 121.2 | 171.6 | 44.7 | 0 | 0 | 0 | 0 | 110.9 | Q1686 | S1684-Q1686 PolarHBondContact O-N 3.24Š|
| 1685 | L | 33 | Very low | 31.6 | Very low | 172 Ų | 172 | 151.7 Ų | 151.7 | 90% | 0.901 | 80% | 0.803 | S | S | * | * | | | trans | -72.2 | 88.4 | 173.1 | -84.3 | 165.4 | 0 | 0 | 0 | 110.6 | V1687 | L1685-V1687 PolarHBondContact O-N 3.41Å; L1685-V1687 VanDerWaalsContact O-N 3.14Å |
| 1686 | Q | 30.4 | Very low | 31.4 | Very low | 157 Ų | 157 | 150.8 Ų | 150.8 | 73% | 0.734 | 80% | 0.798 | S | S | * | * | | | trans | -72.9 | 96.2 | 166 | -74.4 | -166.6 | -1.2 | 0 | 0 | 110.7 | S1684 R1688 | S1684-Q1686 PolarHBondContact O-N 3.24Å; Q1686-R1688 PolarHBondContact O-N 3.21Å |
| 1687 | V | 30.6 | Very low | 31.3 | Very low | 122 Ų | 122 | 149 Ų | 149 | 74% | 0.739 | 80% | 0.795 | S | S | * | * | | | trans | -76.7 | 101.9 | 157.2 | -178.9 | 0 | 0 | 0 | 0 | 107.7 | L1685 F1689 | L1685-V1687 PolarHBondContact O-N 3.41Å; L1685-V1687 VanDerWaalsContact O-N 3.14Å; V1687-F1689 PolarHBondContact O-N 2.9Å |
| 1688 | R | 31.2 | Very low | 31.2 | Very low | 215 Ų | 215 | 152.2 Ų | 152.2 | 81% | 0.811 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 121.6 | 172.1 | -81.9 | -176.7 | 170 | -174 | -3.6 | 110 | Q1686 | Q1686-R1688 PolarHBondContact O-N 3.21Š|
| 1689 | F | 30.1 | Very low | 31 | Very low | 188 Ų | 188 | 151.3 Ų | 151.3 | 83% | 0.825 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 127.9 | 154.9 | -76.2 | -91.1 | 0 | 0 | 0 | 108.7 | V1687 | V1687-F1689 PolarHBondContact O-N 2.9Š|
| 1690 | A | 32.6 | Very low | 30.9 | Very low | 94 Ų | 94 | 150.5 Ų | 150.5 | 78% | 0.777 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -85.1 | 126.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 1691 | P | 34.3 | Very low | 30.7 | Very low | 109 Ų | 109 | 151.4 Ų | 151.4 | 71% | 0.708 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 152 | 168 | -19 | 32.7 | 0 | 0 | 0 | 111.3 | I1693 | P1691-I1693 PolarHBondContact O-N 3.39Å; P1691-I1693 VanDerWaalsContact O-N 3.09Å |
| 1692 | P | 31.9 | Very low | 30.8 | Very low | 132 Ų | 132 | 147.7 Ų | 147.7 | 86% | 0.857 | 79% | 0.791 | S | S | * | * | | | trans | -67 | 109.6 | 179.1 | -19.1 | 32.3 | 0 | 0 | 0 | 111.9 | R1694 | P1692-R1694 PolarHBondContact O-N 3.47Š|
| 1693 | I | 33.5 | Very low | 30.5 | Very low | 161 Ų | 161 | 144.7 Ų | 144.7 | 83% | 0.826 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -75.7 | 123.2 | 170.4 | -62.2 | 176.4 | 0 | 0 | 0 | 108.1 | P1691 I1695 | P1691-I1693 PolarHBondContact O-N 3.39Å; P1691-I1693 VanDerWaalsContact O-N 3.09Å; I1693-I1695 PolarHBondContact O-N 3.18Å |
| 1694 | R | 29.5 | Very low | 30.2 | Very low | 237 Ų | 237 | 144.2 Ų | 144.2 | 89% | 0.894 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 117.6 | 174.7 | -70.6 | -173.3 | 178.5 | -164.9 | 0.2 | 109.8 | P1692 N1696 | P1692-R1694 PolarHBondContact O-N 3.47Å; R1694-N1696 PolarHBondContact O-N 3.04Å |
| 1695 | I | 31 | Very low | 29.9 | Very low | 161 Ų | 161 | 144.1 Ų | 144.1 | 83% | 0.826 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 120.3 | 167.8 | -60.3 | 167.4 | 0 | 0 | 0 | 107.5 | I1693 | I1693-I1695 PolarHBondContact O-N 3.18Š|
| 1696 | N | 26.8 | Very low | 29.6 | Very low | 135 Ų | 135 | 142.9 Ų | 142.9 | 72% | 0.722 | 78% | 0.776 | S | S | * | * | | | trans | -118.7 | 109.8 | 170.5 | -156.9 | 20.9 | 0 | 0 | 0 | 107.9 | R1694 Y1698 | R1694-N1696 PolarHBondContact O-N 3.04Å; N1696-Y1698 PolarHBondContact O-N 2.99Å |
| 1697 | P | 29.4 | Very low | 29.4 | Very low | 108 Ų | 108 | 140.5 Ų | 140.5 | 70% | 0.701 | 78% | 0.777 | S | S | * | * | | | trans | -80.2 | 116.4 | -167 | 30.3 | -33.9 | 0 | 0 | 0 | 112 | | |
| 1698 | Y | 28.7 | Very low | 29.4 | Very low | 216 Ų | 216 | 141.5 Ų | 141.5 | 85% | 0.847 | 78% | 0.783 | S | S | * | * | | | trans | -102.8 | 123.7 | 162.1 | -97 | -87.9 | 0 | 0 | 0 | 110.1 | N1696 | N1696-Y1698 PolarHBondContact O-N 2.99Š|
| 1699 | S | 25.4 | Very low | 29.2 | Very low | 117 Ų | 117 | 137.6 Ų | 137.6 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | | | trans | -126.2 | 109.1 | -179.9 | -178 | 0 | 0 | 0 | 0 | 109.9 | | |
| 1700 | S | 29.5 | Very low | 29.2 | Very low | 100 Ų | 100 | 135.7 Ų | 135.7 | 70% | 0.699 | 79% | 0.788 | S | S | * | * | | | trans | -175.4 | 113.5 | 171.9 | 43 | 0 | 0 | 0 | 0 | 106.2 | | |
| 1701 | N | 27.7 | Very low | 28.8 | Very low | 140 Ų | 140 | 135.9 Ų | 135.9 | 75% | 0.749 | 78% | 0.783 | S | S | * | * | | | cis | 82.1 | 79.5 | 29.1 | -157.6 | 25.4 | 0 | 0 | 0 | 115 | | |
| 1702 | S | 32.6 | Very low | 28.5 | Very low | 113 Ų | 113 | 136.1 Ų | 136.1 | 79% | 0.79 | 78% | 0.783 | S | S | * | * | | | trans | -148.1 | 117.6 | 157.7 | 44.2 | 0 | 0 | 0 | 0 | 106.8 | | |
| 1703 | N | 26.1 | Very low | 28.3 | Very low | 135 Ų | 135 | 135.2 Ų | 135.2 | 72% | 0.722 | 78% | 0.775 | S | S | * | * | | | cis | 83.1 | 141.2 | 46.6 | -78.9 | -21.4 | 0 | 0 | 0 | 115.6 | | |
| 1704 | S | 27.1 | Very low | 28.3 | Very low | 111 Ų | 111 | 134.6 Ų | 134.6 | 78% | 0.776 | 77% | 0.773 | S | S | * | * | | | trans | 65.8 | 130.7 | -173 | 63.6 | 0 | 0 | 0 | 0 | 116.2 | | |
| 1705 | S | 25.6 | Very low | 28.3 | Very low | 103 Ų | 103 | 127.9 Ų | 127.9 | 72% | 0.72 | 76% | 0.762 | S | S | * | * | | | cis | 96.2 | 155 | 13.6 | 88.9 | 0 | 0 | 0 | 0 | 117.2 | | |
| 1706 | I | 28.4 | Very low | 28.3 | Very low | 146 Ų | 146 | 125 Ų | 125 | 75% | 0.749 | 76% | 0.757 | S | S | * | * | | | trans | 76.2 | 121.9 | -179.1 | -53.2 | 163 | 0 | 0 | 0 | 112.7 | | |
| 1707 | S | 25.8 | Very low | 28.4 | Very low | 108 Ų | 108 | 124.2 Ų | 124.2 | 76% | 0.755 | 76% | 0.762 | S | S | * | * | | | cis | 95.7 | 95.7 | 19.2 | -52.2 | 0 | 0 | 0 | 0 | 115.8 | | |
| 1708 | T | 31.1 | Very low | 28.4 | Very low | 143 Ų | 143 | 123 Ų | 123 | 88% | 0.877 | 76% | 0.755 | S | S | * | * | | | trans | -153.3 | 166.4 | 164.6 | 2.3 | 0 | 0 | 0 | 0 | 112.3 | | |
| 1709 | T | 26.4 | Very low | 28.3 | Very low | 132 Ų | 132 | 118.1 Ų | 118.1 | 81% | 0.81 | 75% | 0.753 | S | S | * | * | | | trans | -145.2 | 132.3 | -166.7 | -47.5 | 0 | 0 | 0 | 0 | 110.9 | | |
| 1710 | T | 29.1 | Very low | 28.3 | Very low | 149 Ų | 149 | 119.5 Ų | 119.5 | 91% | 0.914 | 75% | 0.752 | S | S | * | * | | | trans | -166 | 178.3 | 161.8 | 10 | 0 | 0 | 0 | 0 | 114.7 | | |
| 1711 | S | 24.9 | Very low | 28.3 | Very low | 97 Ų | 97 | 124.7 Ų | 124.7 | 68% | 0.678 | 76% | 0.762 | S | S | * | * | | | trans | -107.1 | -168.5 | -153.5 | 53.4 | 0 | 0 | 0 | 0 | 117.8 | | |
| 1712 | T | 27.7 | Very low | 28.4 | Very low | 115 Ų | 115 | 129.7 Ų | 129.7 | 71% | 0.706 | 77% | 0.77 | S | S | * | * | | | trans | 94.1 | 109.1 | 140.4 | 21.3 | 0 | 0 | 0 | 0 | 123.4 | | |
| 1713 | T | 27.7 | Very low | 28 | Very low | 113 Ų | 113 | 130.9 Ų | 130.9 | 69% | 0.693 | 77% | 0.766 | S | S | * | * | | | trans | 66.4 | 147.4 | 132.1 | 50.6 | 0 | 0 | 0 | 0 | 125.2 | | |
| 1714 | N | 33 | Very low | 28.1 | Very low | 148 Ų | 148 | 131 Ų | 131 | 79% | 0.791 | 77% | 0.766 | S | S | * | * | | | trans | 70.5 | 162.2 | 155.2 | -61.9 | -11.6 | 0 | 0 | 0 | 117.7 | | |
| 1715 | S | 30.4 | Very low | 28.1 | Very low | 95 Ų | 95 | 134.2 Ų | 134.2 | 66% | 0.664 | 77% | 0.766 | S | S | * | * | | | cis | -168 | 174.2 | -27.4 | -92 | 0 | 0 | 0 | 0 | 110 | | |
| 1716 | S | 31.3 | Very low | 28.3 | Very low | 101 Ų | 101 | 137.3 Ų | 137.3 | 71% | 0.706 | 78% | 0.775 | S | S | * | * | | | trans | 57.9 | 105.6 | 150.9 | 52.7 | 0 | 0 | 0 | 0 | 121.6 | | |
| 1717 | S | 28.5 | Very low | 28.2 | Very low | 118 Ų | 118 | 133.1 Ų | 133.1 | 83% | 0.825 | 76% | 0.758 | S | S | * | * | | | | 37.4 | 92.5 | 126.6 | 61.9 | 0 | 0 | 0 | 0 | 120.9 | | |
| 1718 | S | 29.1 | Very low | 28.3 | Very low | 82 Ų | 82 | 133.7 Ų | 133.7 | 57% | 0.573 | 76% | 0.762 | S | S | * | * | | | trans | -162.8 | 145.5 | 136.3 | 47.4 | 0 | 0 | 0 | 0 | 107.8 | N1720 | S1718-N1720 VanDerWaalsContact C-N 3.34Š|
| 1719 | S | 27 | Very low | 28.1 | Very low | 115 Ų | 115 | 134.4 Ų | 134.4 | 80% | 0.804 | 76% | 0.76 | S | S | * | * | | | cis | 68.5 | 20.2 | 38.6 | 91.6 | 0 | 0 | 0 | 0 | 115.3 | | |
| 1720 | N | 26.4 | Very low | 28.1 | Very low | 146 Ų | 146 | 131.1 Ų | 131.1 | 78% | 0.781 | 75% | 0.753 | S | S | * | * | | | | -133.8 | 138.5 | 124 | -131.6 | -34.3 | 0 | 0 | 0 | 111.7 | S1718 R1722 | S1718-N1720 VanDerWaalsContact C-N 3.34Å; N1720-R1722 PolarHBondContact O-N 3.44Å |
| 1721 | K | 28.9 | Very low | 27.9 | Very low | 209 Ų | 209 | 129 Ų | 129 | 91% | 0.909 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -85.9 | 76.8 | -155.9 | -66.7 | 176.4 | -179.7 | 174.9 | 0 | 112.8 | | |
| 1722 | R | 29 | Very low | 28.2 | Very low | 244 Ų | 244 | 130.8 Ų | 130.8 | 92% | 0.921 | 75% | 0.753 | S | S | * | * | | | trans | -138.8 | 41.2 | 168.6 | -142.6 | 174.1 | -164.2 | 173.4 | 4.9 | 113.3 | N1720 | N1720-R1722 PolarHBondContact O-N 3.44Š|
| 1723 | I | 25.2 | Very low | 28 | Very low | 138 Ų | 138 | 132.2 Ų | 132.2 | 71% | 0.708 | 76% | 0.755 | S | S | * | * | | | trans | -70.9 | 135.6 | 173.6 | -66.5 | 175.5 | 0 | 0 | 0 | 109.4 | | |
| 1724 | L | 28.1 | Very low | 27.9 | Very low | 137 Ų | 137 | 135.4 Ų | 135.4 | 72% | 0.717 | 76% | 0.76 | S | S | * | * | | | trans | -36.6 | 152.1 | 177 | -50.6 | 92.2 | 0 | 0 | 0 | 115.2 | | |
| 1725 | F | 26.1 | Very low | 27.6 | Very low | 180 Ų | 180 | 134 Ų | 134 | 79% | 0.789 | 75% | 0.752 | S | S | * | * | | | | -164.2 | 128 | 99.9 | -99.4 | -68.3 | 0 | 0 | 0 | 111.3 | | |
| 1726 | N | 30.8 | Very low | 27.5 | Very low | 168 Ų | 168 | 137 Ų | 137 | 90% | 0.898 | 76% | 0.755 | S | S | * | * | | | trans | -108.5 | 96.9 | 162.9 | -168.2 | 13.8 | 0 | 0 | 0 | 106.7 | | |
| 1727 | S | 25.6 | Very low | 27.2 | Very low | 58 Ų | 58 | 136 Ų | 136 | 41% | 0.406 | 75% | 0.748 | S | S | . | * | | | trans | -160.9 | 124.7 | -176.9 | 53.6 | 0 | 0 | 0 | 0 | 108.2 | | |
| 1728 | S | 27.7 | Very low | 27 | Very low | 119 Ų | 119 | 137.4 Ų | 137.4 | 83% | 0.832 | 75% | 0.746 | S | S | * | * | | | cis | 69.2 | 24.1 | 32.7 | 102.5 | 0 | 0 | 0 | 0 | 115.1 | | |
| 1729 | L | 27.8 | Very low | 27 | Very low | 158 Ų | 158 | 140.7 Ų | 140.7 | 83% | 0.827 | 76% | 0.757 | S | S | * | * | | | trans | -102 | 154.4 | 134.7 | -67.5 | 94.5 | 0 | 0 | 0 | 106.5 | | |
| 1730 | G | 25.3 | Very low | 26.9 | Very low | 64 Ų | 64 | 141.1 Ų | 141.1 | 66% | 0.66 | 75% | 0.75 | S | S | * | * | | | cis | 163.5 | 65 | 6.9 | 0 | 0 | 0 | 0 | 0 | 107.9 | | |
| 1731 | S | 25.9 | Very low | 26.9 | Very low | 104 Ų | 104 | 142.3 Ų | 142.3 | 73% | 0.727 | 75% | 0.751 | S | S | * | * | | | trans | 52.3 | 77.6 | 179.8 | -59.2 | 0 | 0 | 0 | 0 | 115 | I1733 | S1731-I1733 PolarHBondContact O-N 3.33Š|
| 1732 | P | 30.8 | Very low | 27 | Very low | 135 Ų | 135 | 137.8 Ų | 137.8 | 88% | 0.877 | 75% | 0.745 | S | S | * | * | | | trans | -63.7 | 99.4 | 175.1 | 27.6 | -34.3 | 0 | 0 | 0 | 111.2 | | |
| 1733 | I | 23.9 | Very low | 26.9 | Very low | 145 Ų | 145 | 130.7 Ų | 130.7 | 74% | 0.744 | 73% | 0.733 | S | S | * | * | | | trans | -73.2 | 148.6 | 165 | -71.4 | 171.3 | 0 | 0 | 0 | 108.6 | S1731 | S1731-I1733 PolarHBondContact O-N 3.33Š|
| 1734 | F | 24.6 | Very low | 26.9 | Very low | 180 Ų | 180 | 130.1 Ų | 130.1 | 79% | 0.789 | 74% | 0.736 | S | S | * | * | | | trans | -14 | 135.6 | 159.3 | -69.1 | -108.3 | 0 | 0 | 0 | 115.6 | | |
| 1735 | N | 27.7 | Very low | 26.8 | Very low | 119 Ų | 119 | 130.5 Ų | 130.5 | 64% | 0.636 | 74% | 0.737 | S | S | * | * | | | | -169.7 | 164.7 | 93.5 | -108.9 | -32 | 0 | 0 | 0 | 116 | | |
| 1736 | H | 27.4 | Very low | 26.9 | Very low | 158 Ų | 158 | 128.3 Ų | 128.3 | 73% | 0.731 | 73% | 0.734 | S | S | * | * | | | trans | 35.2 | 146.3 | 143.4 | -57.1 | -33 | 0 | 0 | 0 | 121.6 | | |
| 1737 | S | 25.4 | Very low | 26.8 | Very low | 80 Ų | 80 | 125.6 Ų | 125.6 | 56% | 0.559 | 73% | 0.728 | S | S | * | * | | | cis | 168.8 | 155.3 | -20.5 | 52.3 | 0 | 0 | 0 | 0 | 107.5 | | |
| 1738 | N | 25.1 | Very low | 27 | Very low | 146 Ų | 146 | 129 Ų | 129 | 78% | 0.781 | 74% | 0.741 | S | S | * | * | | | trans | 67.4 | 165.8 | 155.4 | -59.9 | -20.8 | 0 | 0 | 0 | 118.6 | | |
| 1739 | L | 29.1 | Very low | 27.1 | Very low | 151 Ų | 151 | 130.1 Ų | 130.1 | 79% | 0.791 | 74% | 0.742 | S | S | * | * | | | trans | 66.3 | 89.6 | 172 | -64 | 148.5 | 0 | 0 | 0 | 113.6 | | |
| 1740 | N | 24.7 | Very low | 27.2 | Very low | 125 Ų | 125 | 125.7 Ų | 125.7 | 67% | 0.668 | 72% | 0.724 | S | S | * | * | | | | 78.8 | 122.2 | 69.6 | -74.3 | -14.9 | 0 | 0 | 0 | 114.6 | | |
| 1741 | Q | 25.9 | Very low | 27.4 | Very low | 171 Ų | 171 | 128.6 Ų | 128.6 | 80% | 0.799 | 73% | 0.731 | S | S | * | * | | | trans | 58.9 | 87 | 132.9 | -58.3 | 173.5 | 4.5 | 0 | 0 | 118.4 | | |
| 1742 | S | 30.7 | Very low | 27.7 | Very low | 113 Ų | 113 | 130.2 Ų | 130.2 | 79% | 0.79 | 73% | 0.732 | S | S | * | * | | | | -143.7 | 81.7 | 123.7 | 63.7 | 0 | 0 | 0 | 0 | 108.4 | | |
| 1743 | S | 27.2 | Very low | 28 | Very low | 95 Ų | 95 | 132 Ų | 132 | 66% | 0.664 | 73% | 0.733 | S | S | * | * | | | | 52.4 | 93.4 | 85.2 | 76.8 | 0 | 0 | 0 | 0 | 113.7 | | |
| 1744 | T | 25.9 | Very low | 28.6 | Very low | 126 Ų | 126 | 133.2 Ų | 133.2 | 77% | 0.773 | 74% | 0.74 | S | S | * | * | | | | 52.2 | 154.6 | 126.5 | -18.9 | 0 | 0 | 0 | 0 | 121 | | |
| 1745 | I | 25.9 | Very low | 28.9 | Very low | 145 Ų | 145 | 135.8 Ų | 135.8 | 74% | 0.744 | 75% | 0.745 | S | S | * | * | | | trans | 77.3 | 90.9 | 164.9 | -50.9 | 151.9 | 0 | 0 | 0 | 113.8 | | |
| 1746 | D | 28.1 | Very low | 29.3 | Very low | 135 Ų | 135 | 139.8 Ų | 139.8 | 72% | 0.722 | 76% | 0.756 | S | S | * | * | | | | -177.3 | 127 | 84 | -119 | -32.1 | 0 | 0 | 0 | 113.2 | | |
| 1747 | S | 28.5 | Very low | 29.8 | Very low | 110 Ų | 110 | 141.2 Ų | 141.2 | 77% | 0.769 | 76% | 0.763 | S | S | * | * | | | trans | -176.8 | 77.5 | 152.4 | 178.8 | 0 | 0 | 0 | 0 | 110 | V1749 | S1747-V1749 PolarHBondContact O-N 3.27Š|
| 1748 | I | 29.1 | Very low | 30.1 | Very low | 131 Ų | 131 | 148.4 Ų | 148.4 | 67% | 0.672 | 78% | 0.78 | S | S | * | * | | | trans | -40.1 | 120 | 169.7 | -60.9 | 155.8 | 0 | 0 | 0 | 112.2 | S1750 | I1748-S1750 WeakPolarHBondContact CG2-OG 3.27Š|
| 1749 | V | 29.6 | Very low | 30.4 | Very low | 141 Ų | 141 | 151.3 Ų | 151.3 | 86% | 0.855 | 78% | 0.781 | S | S | * | * | | | trans | -112.7 | 103.1 | 153.5 | 178.2 | 0 | 0 | 0 | 0 | 106.3 | S1747 | S1747-V1749 PolarHBondContact O-N 3.27Š|
| 1750 | S | 30 | Very low | 30.7 | Very low | 66 Ų | 66 | 154.5 Ų | 154.5 | 46% | 0.462 | 79% | 0.785 | S | S | . | * | | | trans | -67.7 | 146.9 | -159.7 | -41.9 | 0 | 0 | 0 | 0 | 114.1 | I1748 N1752 | I1748-S1750 WeakPolarHBondContact CG2-OG 3.27Å; S1750-N1752 PolarHBondContact O-N 3.35Å |
| 1751 | P | 29.1 | Very low | 31.1 | Very low | 124 Ų | 124 | 155.6 Ų | 155.6 | 81% | 0.805 | 78% | 0.78 | S | S | * | * | | | trans | -71.8 | 73.4 | 173 | 31.4 | -36.2 | 0 | 0 | 0 | 112 | | |
| 1752 | N | 33.1 | Very low | 31.3 | Very low | 139 Ų | 139 | 153.9 Ų | 153.9 | 74% | 0.743 | 77% | 0.767 | S | S | * | * | | | trans | -103.5 | 15 | 177.8 | -93.3 | -35 | 0 | 0 | 0 | 113.7 | S1750 | S1750-N1752 PolarHBondContact O-N 3.35Š|
| 1753 | L | 36.1 | Very low | 31.5 | Very low | 172 Ų | 172 | 157.8 Ų | 157.8 | 90% | 0.901 | 77% | 0.773 | S | S | * | * | S | Bend | trans | -105.8 | -0.9 | 179.9 | -93.8 | 161.9 | 0 | 0 | 0 | 114.9 | | |
| 1754 | L | 36.5 | Very low | 31.7 | Very low | 170 Ų | 170 | 160.9 Ų | 160.9 | 89% | 0.89 | 78% | 0.779 | S | S | * | * | S | Bend | trans | -103 | 33.1 | 175.2 | -72.3 | 173.7 | 0 | 0 | 0 | 113.2 | | |
| 1755 | R | 32.6 | Very low | 32 | Very low | 234 Ų | 234 | 162.7 Ų | 162.7 | 88% | 0.883 | 78% | 0.779 | S | S | * | * | S | Bend | trans | -142 | 40.3 | 178.9 | -126.1 | 177.6 | -168.5 | -173.8 | 3.3 | 115.2 | | |
| 1756 | K | 36.1 | Very low | 32.4 | Very low | 203 Ų | 203 | 163.7 Ų | 163.7 | 88% | 0.883 | 78% | 0.781 | S | S | * | * | S | Bend | trans | -141.7 | 50 | 172.4 | -76 | -159.6 | 172.4 | -170.3 | 0 | 114.4 | | |
| 1757 | Q | 36.1 | Very low | 32.6 | Very low | 188 Ų | 188 | 165.4 Ų | 165.4 | 88% | 0.879 | 78% | 0.784 | S | S | * | * | S | Bend | trans | -150 | 15 | 168.5 | -128.6 | 162.3 | -5.3 | 0 | 0 | 117 | | |
| 1758 | Y | 32 | Very low | 32.9 | Very low | 231 Ų | 231 | 168.9 Ų | 168.9 | 91% | 0.906 | 79% | 0.785 | S | S | * | * | S | Bend | trans | -107.9 | 62 | 169.6 | -75.8 | -79.7 | 0 | 0 | 0 | 111.2 | | |
| 1759 | Y | 32 | Very low | 33.1 | Very low | 207 Ų | 207 | 171.4 Ų | 171.4 | 81% | 0.812 | 79% | 0.793 | S | S | * | * | | | trans | -158.3 | 54.4 | 172.3 | -89.6 | -66.6 | 0 | 0 | 0 | 110.6 | | |
| 1760 | Y | 35.3 | Very low | 33.4 | Very low | 219 Ų | 219 | 173.6 Ų | 173.6 | 86% | 0.859 | 79% | 0.788 | S | S | * | * | S | Bend | trans | -158.9 | 53.4 | 163.4 | -96.9 | -59.3 | 0 | 0 | 0 | 111 | | |
| 1761 | Y | 32.1 | Very low | 33.7 | Very low | 148 Ų | 148 | 181.8 Ų | 181.8 | 58% | 0.58 | 81% | 0.814 | S | S | * | * | S | Bend | trans | -144.5 | 63.5 | 163.2 | -111.5 | -43.5 | 0 | 0 | 0 | 105.4 | E1526 K1528 | E1526-Y1761 HydrophobicContact CB-CD1 3.79Å; E1526-Y1761 HydrophobicContact CB-CE1 4.33Å; E1526-Y1761 HydrophobicContact CG-CD1 3.41Å; E1526-Y1761 VanDerWaalsContact CG-CD1 3.41Å; E1526-Y1761 HydrophobicContact CG-CE1 4.29Å; E1526-Y1761 HydrophobicContact CG-CG 3.75Å; E1526-Y1761 WeakPolarHBondContact CG-O 3.49Å; K1528-Y1761 HydrophobicContact CB-CE1 4.37Å |
| 1762 | Y | 31.1 | Very low | 34 | Very low | 134 Ų | 134 | 186.7 Ų | 186.7 | 53% | 0.525 | 81% | 0.814 | S | S | . | * | | | trans | -179.3 | 49.7 | -174.9 | -93.3 | -19.8 | 0 | 0 | 0 | 112 | S1523 P1524 S1525 E1526 | S1523-Y1762 VanDerWaalsContact CB-CE2 3.42Å; P1524-Y1762 VanDerWaalsContact C-C 3.41Å; P1524-Y1762 CarbonylContact C-O 3.12Å; P1524-Y1762 HydrophobicContact CB-CD1 3.68Å; P1524-Y1762 HydrophobicContact CB-CE1 3.77Å; S1525-Y1762 CarbonylContact O-C 3.22Å; S1525-Y1762 WeakPolarHBondContact O-CA 3.32Å; S1525-Y1762 PolarHBondContact O-N 3.28Å; S1525-Y1762 VanDerWaalsContact O-N 3.11Å; E1526-Y1762 WeakPolarHBondContact OE2-CD1 3.09Å; E1526-Y1762 WeakPolarHBondContact OE2-CE1 3.28Å |
| 1763 | E | 35.5 | Very low | 34.1 | Very low | 195 Ų | 195 | 191 Ų | 191 | 91% | 0.911 | 82% | 0.821 | S | S | * | * | | | trans | -132.4 | 0 | 152.3 | -176.1 | 179.7 | -106.6 | 0 | 0 | 111.2 | S1525 | S1525-E1763 WeakPolarHBondContact CA-OXT 2.9Å; S1525-E1763 WeakPolarHBondContact CB-OXT 3.3Å; S1525-E1763 PolarHBondContact N-OXT 3.21Å; S1525-E1763 CarbonylContact O-C 3.59Å; S1525-E1763 PolarHBondContact O-N 3.22Å; S1525-E1763 PolarHBondContact OG-OXT 3.29Å |