| 1 | M | 51.1 | Low | 58.4 | Low | 255 Ų | 255 | 146.9 Ų | 146.9 | 100% | 1.256 | 84% | 0.837 | S | S | * | * | | | | 0 | 134.8 | 0 | -78 | 159.1 | 79.3 | 0 | 0 | 108.2 | | |
| 2 | G | 60.4 | Low | 58.2 | Low | 81 Ų | 81 | 145.3 Ų | 145.3 | 84% | 0.835 | 84% | 0.837 | S | S | * | * | | | trans | 121 | 59.7 | 170.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 3 | G | 50.9 | Low | 57.5 | Low | 83 Ų | 83 | 144.3 Ų | 144.3 | 86% | 0.856 | 82% | 0.82 | S | S | * | * | | | trans | -67.1 | 130.1 | 159.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 4 | G | 58.5 | Low | 57.6 | Low | 66 Ų | 66 | 140.3 Ų | 140.3 | 68% | 0.68 | 81% | 0.813 | S | S | * | * | | | trans | -125.2 | 91.3 | 172.3 | 0 | 0 | 0 | 0 | 0 | 108.3 | R6 | G4-R6 PolarHBondContact O-N 3.18Š|
| 5 | E | 56.4 | Low | 56.8 | Low | 174 Ų | 174 | 143.4 Ų | 143.4 | 81% | 0.813 | 81% | 0.806 | S | S | * | * | | | trans | -68.7 | 107.1 | 177.5 | -53.9 | 176.8 | -172.1 | 0 | 0 | 108.4 | | |
| 6 | R | 67.9 | Low | 56.3 | Low | 226 Ų | 226 | 142.9 Ų | 142.9 | 85% | 0.853 | 80% | 0.801 | S | S | * | * | | | trans | -105.5 | 109 | 173.8 | -62 | -175.2 | 166.2 | -125.5 | -5.2 | 107.5 | G4 N8 | G4-R6 PolarHBondContact O-N 3.18Å; R6-N8 PolarHBondContact O-N 3.48Å |
| 7 | F | 59.1 | Low | 55.4 | Low | 188 Ų | 188 | 143.1 Ų | 143.1 | 83% | 0.825 | 81% | 0.807 | S | S | * | * | | | trans | -51.9 | 122.2 | 178 | -58.8 | -85.1 | 0 | 0 | 0 | 110.7 | I9 | F7-I9 PolarHBondContact O-N 3.11Š|
| 8 | N | 54.5 | Low | 54.8 | Low | 160 Ų | 160 | 142.2 Ų | 142.2 | 86% | 0.856 | 81% | 0.805 | S | S | * | * | | | trans | -81.1 | 101.5 | 169.9 | -78.9 | -83.4 | 0 | 0 | 0 | 108 | R6 P10 | R6-N8 PolarHBondContact O-N 3.48Å; N8-P10 WeakPolarHBondContact O-CD 3.49Å |
| 9 | I | 63.9 | Low | 54.1 | Low | 147 Ų | 147 | 145.1 Ų | 145.1 | 75% | 0.754 | 81% | 0.807 | S | S | * | * | | | trans | -74 | 122 | 169.4 | -56.6 | 170.1 | 0 | 0 | 0 | 107.2 | F7 V11 | F7-I9 PolarHBondContact O-N 3.11Å; I9-V11 PolarHBondContact O-N 3.45Å; I9-V11 VanDerWaalsContact O-N 3.14Å |
| 10 | P | 62.8 | Low | 53.3 | Low | 117 Ų | 117 | 145.8 Ų | 145.8 | 76% | 0.76 | 81% | 0.81 | S | S | * | * | | | trans | -70 | 111.1 | 170.1 | -11.6 | 27.2 | 0 | 0 | 0 | 108.8 | N8 | N8-P10 WeakPolarHBondContact O-CD 3.49Š|
| 11 | V | 56.9 | Low | 53.3 | Low | 119 Ų | 119 | 147.4 Ų | 147.4 | 72% | 0.721 | 81% | 0.811 | S | S | * | * | | | trans | -64.5 | 129.3 | 164.3 | 170.7 | 0 | 0 | 0 | 0 | 107.8 | I9 Q13 | I9-V11 PolarHBondContact O-N 3.45Å; I9-V11 VanDerWaalsContact O-N 3.14Å; V11-Q13 VanDerWaalsContact C-N 3.31Å; V11-Q13 PolarHBondContact O-N 3.4Å |
| 12 | P | 55.7 | Low | 53.4 | Low | 128 Ų | 128 | 143.8 Ų | 143.8 | 83% | 0.831 | 79% | 0.791 | S | S | * | * | | | trans | -67.5 | 91.4 | 172 | -16.4 | 30 | 0 | 0 | 0 | 109.6 | A14 | P12-A14 PolarHBondContact O-N 2.71Š|
| 13 | Q | 49.7 | Very low | 52.9 | Low | 132 Ų | 132 | 148.1 Ų | 148.1 | 62% | 0.617 | 79% | 0.79 | S | S | * | * | | | trans | -82 | 101.1 | 172.3 | -162.9 | 175 | 9.2 | 0 | 0 | 108.4 | V11 R15 | V11-Q13 VanDerWaalsContact C-N 3.31Å; V11-Q13 PolarHBondContact O-N 3.4Å; Q13-R15 VanDerWaalsContact NE2-NE 3.18Å; Q13-R15 PolarHBondContact O-N 3.21Å |
| 14 | A | 58.8 | Low | 52.8 | Low | 88 Ų | 88 | 151.5 Ų | 151.5 | 73% | 0.727 | 79% | 0.787 | S | S | * | * | | | trans | -65.2 | 101.3 | 169.2 | 0 | 0 | 0 | 0 | 0 | 109 | P12 | P12-A14 PolarHBondContact O-N 2.71Š|
| 15 | R | 44.7 | Very low | 52 | Low | 187 Ų | 187 | 158 Ų | 158 | 71% | 0.706 | 80% | 0.797 | S | S | * | * | | | trans | -124.9 | 92.4 | 170.5 | -117 | -171 | -74.6 | 156 | -2.4 | 109.7 | Q13 T17 | Q13-R15 VanDerWaalsContact NE2-NE 3.18Å; Q13-R15 PolarHBondContact O-N 3.21Å; R15-T17 PolarHBondContact O-N 3.04Å |
| 16 | N | 48.7 | Very low | 51.4 | Low | 136 Ų | 136 | 157.1 Ų | 157.1 | 73% | 0.727 | 80% | 0.797 | S | S | * | * | | | trans | -68.4 | 119.9 | 171.2 | -35.1 | -34.7 | 0 | 0 | 0 | 106.9 | T18 | N16-T18 PolarHBondContact O-N 3.23Å; N16-T18 VanDerWaalsContact O-N 3.11Å |
| 17 | T | 41.5 | Very low | 50.3 | Low | 146 Ų | 146 | 156.6 Ų | 156.6 | 90% | 0.896 | 80% | 0.795 | S | S | * | * | | | trans | -74.8 | 98.8 | 170.3 | 39.4 | 0 | 0 | 0 | 0 | 109 | R15 K19 | R15-T17 PolarHBondContact O-N 3.04Å; T17-K19 PolarHBondContact O-N 3.22Å |
| 18 | T | 44.2 | Very low | 49.9 | Very low | 126 Ų | 126 | 154.4 Ų | 154.4 | 77% | 0.773 | 79% | 0.788 | S | S | * | * | | | trans | -66.8 | 119.8 | 169.9 | 42.8 | 0 | 0 | 0 | 0 | 110.9 | N16 | N16-T18 PolarHBondContact O-N 3.23Å; N16-T18 VanDerWaalsContact O-N 3.11Å |
| 19 | K | 43.1 | Very low | 49.5 | Very low | 197 Ų | 197 | 156.4 Ų | 156.4 | 86% | 0.857 | 79% | 0.789 | S | S | * | * | | | trans | -159.4 | 99.1 | 135.4 | -64.5 | -163.1 | -174.4 | 173.5 | 0 | 110.5 | T17 | T17-K19 PolarHBondContact O-N 3.22Š|
| 20 | N | 37.9 | Very low | 48.7 | Very low | 160 Ų | 160 | 154.8 Ų | 154.8 | 86% | 0.856 | 79% | 0.79 | S | S | * | * | | | | -163.2 | 106.1 | 126.2 | -112.7 | -74 | 0 | 0 | 0 | 109 | Q22 | N20-Q22 PolarHBondContact O-N 3.36Š|
| 21 | H | 52.8 | Low | 47.8 | Very low | 179 Ų | 179 | 158.1 Ų | 158.1 | 83% | 0.829 | 79% | 0.793 | S | S | * | * | | | trans | -62.1 | 111.2 | 165.9 | -100.2 | -141.5 | 0 | 0 | 0 | 108 | | |
| 22 | Q | 53.2 | Low | 47.7 | Very low | 179 Ų | 179 | 159.7 Ų | 159.7 | 84% | 0.836 | 80% | 0.798 | S | S | * | * | | | trans | 162.5 | 101.3 | 135.3 | -89.6 | 163.1 | 99.2 | 0 | 0 | 106.8 | N20 | N20-Q22 PolarHBondContact O-N 3.36Š|
| 23 | Q | 49.4 | Very low | 47.7 | Very low | 173 Ų | 173 | 163 Ų | 163 | 81% | 0.808 | 80% | 0.802 | S | S | * | * | | | | 173.1 | 139.9 | 118 | -108.1 | -173.1 | 2.2 | 0 | 0 | 111.4 | | |
| 24 | L | 49.3 | Very low | 47.5 | Very low | 154 Ų | 154 | 164 Ų | 164 | 81% | 0.806 | 81% | 0.811 | S | S | * | * | | | trans | 83.1 | 86.9 | 152 | -57.3 | 156.8 | 0 | 0 | 0 | 116.8 | | |
| 25 | K | 42.1 | Very low | 47.1 | Very low | 203 Ų | 203 | 163.8 Ų | 163.8 | 88% | 0.883 | 80% | 0.804 | S | S | * | * | | | trans | -117.8 | 111.6 | 148.6 | -69.8 | -175.1 | -180 | -179.2 | 0 | 108.3 | | |
| 26 | N | 43.3 | Very low | 47.3 | Very low | 154 Ų | 154 | 162 Ų | 162 | 82% | 0.824 | 80% | 0.804 | S | S | * | * | | | trans | -156.6 | 99.9 | 148.3 | -90.8 | -8.9 | 0 | 0 | 0 | 105.1 | | |
| 27 | R | 45.5 | Very low | 47 | Very low | 216 Ų | 216 | 163.6 Ų | 163.6 | 82% | 0.815 | 81% | 0.809 | S | S | * | * | | | | 50.5 | 123.5 | 107.9 | -72.8 | 179.7 | 78.3 | 167.2 | 3.4 | 111.3 | | |
| 28 | Q | 49.1 | Very low | 47.4 | Very low | 142 Ų | 142 | 164.7 Ų | 164.7 | 66% | 0.664 | 80% | 0.802 | S | S | * | * | | | cis | 177.7 | 137.5 | 31.5 | -161.2 | 148.8 | -40.8 | 0 | 0 | 109 | | |
| 29 | K | 47.3 | Very low | 48.1 | Very low | 201 Ų | 201 | 166.4 Ų | 166.4 | 87% | 0.874 | 80% | 0.803 | S | S | * | * | | | trans | 43.2 | 118.2 | 141.1 | -152.7 | 174.3 | -171.9 | 178.8 | 0 | 121.3 | | |
| 30 | S | 46 | Very low | 48.4 | Very low | 113 Ų | 113 | 162.6 Ų | 162.6 | 79% | 0.79 | 80% | 0.796 | S | S | * | * | | | trans | -165.1 | 100.8 | 147.4 | 176 | 0 | 0 | 0 | 0 | 108 | | |
| 31 | K | 45.3 | Very low | 49 | Very low | 188 Ų | 188 | 165.5 Ų | 165.5 | 82% | 0.817 | 80% | 0.797 | S | S | * | * | | | | 63.4 | 116.3 | 87.7 | -163.6 | 164.6 | -175.6 | 178.8 | 0 | 112.9 | | |
| 32 | D | 54.6 | Low | 49.3 | Very low | 152 Ų | 152 | 165 Ų | 165 | 81% | 0.813 | 80% | 0.797 | S | S | * | * | | | trans | -45.6 | 130.9 | 177 | -52.4 | -83.6 | 0 | 0 | 0 | 113.2 | | |
| 33 | Q | 55.2 | Low | 49.6 | Very low | 198 Ų | 198 | 163.4 Ų | 163.4 | 93% | 0.925 | 79% | 0.787 | S | S | * | * | | | trans | -146 | 113.1 | 145.5 | -78.2 | -150.7 | -16 | 0 | 0 | 112 | | |
| 34 | N | 46.4 | Very low | 50 | Low | 151 Ų | 151 | 164.8 Ų | 164.8 | 81% | 0.807 | 79% | 0.79 | S | S | * | * | | | trans | -55.1 | 141.2 | 156.1 | 175.2 | 5.7 | 0 | 0 | 0 | 111.7 | | |
| 35 | S | 50.1 | Low | 50.2 | Low | 84 Ų | 84 | 163.2 Ų | 163.2 | 59% | 0.587 | 78% | 0.779 | S | S | * | * | | | trans | 124.5 | 132.5 | 134.7 | 97.4 | 0 | 0 | 0 | 0 | 117.8 | | |
| 36 | Q | 47.6 | Very low | 50.7 | Low | 150 Ų | 150 | 164.1 Ų | 164.1 | 70% | 0.701 | 78% | 0.777 | S | S | * | * | | | trans | 79.8 | 70.7 | 150.8 | -59.6 | 176.1 | 11.2 | 0 | 0 | 119.1 | K38 | Q36-K38 PolarHBondContact O-N 3.12Š|
| 37 | M | 43.8 | Very low | 51 | Low | 170 Ų | 170 | 160.3 Ų | 160.3 | 84% | 0.837 | 77% | 0.774 | S | S | * | * | | | trans | -75.3 | 95.8 | 142.8 | 66.1 | 179.4 | -173 | 0 | 0 | 109.2 | M39 | M37-M39 PolarHBondContact O-N 3Š|
| 38 | K | 49.9 | Very low | 51.5 | Low | 169 Ų | 169 | 157.4 Ų | 157.4 | 74% | 0.735 | 77% | 0.77 | S | S | * | * | | | trans | -70.5 | 100.5 | 166.6 | 48.8 | -124.7 | 169.8 | -160.7 | 0 | 109.1 | Q36 T40 | Q36-K38 PolarHBondContact O-N 3.12Å; K38-T40 PolarHBondContact O-N 3.05Å |
| 39 | M | 58.3 | Low | 51.3 | Low | 161 Ų | 161 | 153.5 Ų | 153.5 | 79% | 0.793 | 77% | 0.768 | S | S | * | * | | | trans | -80.5 | 102.1 | 165.4 | -70.5 | -64.4 | -154.3 | 0 | 0 | 107.8 | M37 Y41 | M37-M39 PolarHBondContact O-N 3Å; M39-Y41 PolarHBondContact O-N 2.79Å; M39-Y41 VanDerWaalsContact O-N 3.12Å |
| 40 | T | 49.7 | Very low | 51.5 | Low | 117 Ų | 117 | 149.6 Ų | 149.6 | 72% | 0.718 | 77% | 0.765 | S | S | * | * | | | trans | -66.5 | 109.7 | 174.9 | -33.3 | 0 | 0 | 0 | 0 | 108.7 | K38 M42 | K38-T40 PolarHBondContact O-N 3.05Å; T40-M42 PolarHBondContact O-N 3.18Å |
| 41 | Y | 50.9 | Low | 52 | Low | 221 Ų | 221 | 150 Ų | 150 | 87% | 0.867 | 76% | 0.758 | S | S | * | * | | | trans | -60.7 | 104 | 173.3 | -147.2 | -93.8 | 0 | 0 | 0 | 108.7 | M39 K43 | M39-Y41 PolarHBondContact O-N 2.79Å; M39-Y41 VanDerWaalsContact O-N 3.12Å; Y41-K43 VanDerWaalsContact C-N 3.32Å; Y41-K43 PolarHBondContact O-N 3.41Å |
| 42 | M | 58.9 | Low | 52.7 | Low | 170 Ų | 170 | 144.7 Ų | 144.7 | 84% | 0.837 | 74% | 0.744 | S | S | * | * | | | trans | -74.7 | 92 | 167.8 | -70.2 | -66.6 | -179.6 | 0 | 0 | 107.9 | T40 K44 | T40-M42 PolarHBondContact O-N 3.18Å; M42-K44 PolarHBondContact O-N 3.32Å |
| 43 | K | 59.2 | Low | 53 | Low | 145 Ų | 145 | 141.1 Ų | 141.1 | 63% | 0.63 | 73% | 0.731 | S | S | * | * | | | trans | -63.9 | 106.7 | 163.1 | 174 | 172.6 | 166.4 | -75.9 | 0 | 107.4 | Y41 E45 | Y41-K43 VanDerWaalsContact C-N 3.32Å; Y41-K43 PolarHBondContact O-N 3.41Å; K43-E45 IonicContact NZ-OE1 2.67Å; K43-E45 PolarHBondContact NZ-OE1 2.89Å; K43-E45 IonicContact NZ-OE2 2.79Å; K43-E45 PolarHBondContact NZ-OE2 3.26Å |
| 44 | K | 57.4 | Low | 53.3 | Low | 201 Ų | 201 | 134.8 Ų | 134.8 | 87% | 0.874 | 71% | 0.713 | S | S | * | * | | | trans | -118.3 | 111.1 | 161.4 | -168.4 | 169.9 | -179.8 | 178.7 | 0 | 109.5 | M42 | M42-K44 PolarHBondContact O-N 3.32Š|
| 45 | E | 54.2 | Low | 53.8 | Low | 121 Ų | 121 | 130.5 Ų | 130.5 | 57% | 0.565 | 70% | 0.698 | S | S | * | * | | | trans | -71.6 | 148.2 | 176.7 | 33.5 | -116.4 | 104.2 | 0 | 0 | 114.2 | K43 | K43-E45 IonicContact NZ-OE1 2.67Å; K43-E45 PolarHBondContact NZ-OE1 2.89Å; K43-E45 IonicContact NZ-OE2 2.79Å; K43-E45 PolarHBondContact NZ-OE2 3.26Å |
| 46 | R | 52.8 | Low | 54 | Low | 222 Ų | 222 | 135 Ų | 135 | 84% | 0.838 | 70% | 0.702 | S | S | * | * | | | trans | 73 | 80.1 | 152 | -143.4 | 158.5 | -168.3 | 158.1 | 0.7 | 118 | | |
| 47 | G | 48.8 | Very low | 54.8 | Low | 75 Ų | 75 | 132.5 Ų | 132.5 | 77% | 0.773 | 69% | 0.691 | S | S | * | * | | | trans | -127.3 | 114.1 | 150.3 | 0 | 0 | 0 | 0 | 0 | 107.9 | G49 | G47-G49 PolarHBondContact O-N 2.98Š|
| 48 | H | 56.4 | Low | 55.6 | Low | 154 Ų | 154 | 127.8 Ų | 127.8 | 71% | 0.713 | 68% | 0.679 | S | S | * | * | | | trans | -58.7 | 124.8 | -173.6 | -70.7 | -107.8 | 0 | 0 | 0 | 110.5 | C50 | H48-C50 PolarHBondContact O-N 3.11Å; H48-C50 VanDerWaalsContact O-N 3.13Å |
| 49 | G | 44.1 | Very low | 56.1 | Low | 61 Ų | 61 | 126.9 Ų | 126.9 | 63% | 0.629 | 68% | 0.679 | S | S | * | * | | | trans | -55.4 | 118.6 | 169.9 | 0 | 0 | 0 | 0 | 0 | 109 | G47 N51 | G47-G49 PolarHBondContact O-N 2.98Å; G49-N51 VanDerWaalsContact C-N 3.26Å; G49-N51 PolarHBondContact O-N 3.4Å; G49-N51 PolarHBondContact O-OD1 2.95Å |
| 50 | C | 51.8 | Low | 56.2 | Low | 119 Ų | 119 | 127.6 Ų | 127.6 | 80% | 0.804 | 68% | 0.68 | S | S | * | * | | | trans | -69.2 | 94.8 | 168 | -174.1 | 0 | 0 | 0 | 0 | 106.8 | H48 S52 | H48-C50 PolarHBondContact O-N 3.11Å; H48-C50 VanDerWaalsContact O-N 3.13Å; C50-S52 VanDerWaalsContact C-N 3.29Å; C50-S52 PolarHBondContact O-N 3.28Å |
| 51 | N | 56.8 | Low | 56.6 | Low | 122 Ų | 122 | 129 Ų | 129 | 65% | 0.652 | 68% | 0.677 | S | S | * | * | | | trans | -65.1 | 94.3 | 169.4 | -55.9 | -19.2 | 0 | 0 | 0 | 106.3 | G49 S53 A54 | G49-N51 VanDerWaalsContact C-N 3.26Å; G49-N51 PolarHBondContact O-N 3.4Å; G49-N51 PolarHBondContact O-OD1 2.95Å; N51-S53 PolarHBondContact O-N 2.99Å; N51-A54 PolarHBondContact O-N 3.29Å |
| 52 | S | 60 | Low | 56.8 | Low | 76 Ų | 76 | 121.8 Ų | 121.8 | 53% | 0.531 | 67% | 0.67 | S | S | . | * | H | α-helix | trans | -52.4 | -27.3 | -179.5 | 61.1 | 0 | 0 | 0 | 0 | 112.4 | C50 A54 A55 W56 | C50-S52 VanDerWaalsContact C-N 3.29Å; C50-S52 PolarHBondContact O-N 3.28Å; S52-A54 VanDerWaalsContact C-N 3.31Å; S52-A54 PolarHBondContact O-N 3.3Å; S52-A55 PolarHBondContact O-N 2.67Å; S52-W56 PolarHBondContact O-N 3.33Å |
| 53 | S | 61.5 | Low | 56.8 | Low | 76 Ų | 76 | 116.6 Ų | 116.6 | 53% | 0.531 | 66% | 0.659 | S | S | . | * | H | α-helix | trans | -59 | -33.7 | 175.8 | -167.8 | 0 | 0 | 0 | 0 | 114.2 | N51 Q57 | N51-S53 PolarHBondContact O-N 2.99Å; S53-Q57 PolarHBondContact O-N 3.13Å |
| 54 | A | 59.9 | Low | 56.9 | Low | 66 Ų | 66 | 119.8 Ų | 119.8 | 55% | 0.545 | 67% | 0.673 | S | S | . | * | H | α-helix | trans | -71.3 | -34.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | N51 S52 Q57 A58 | N51-A54 PolarHBondContact O-N 3.29Å; S52-A54 VanDerWaalsContact C-N 3.31Å; S52-A54 PolarHBondContact O-N 3.3Å; A54-Q57 PolarHBondContact O-N 2.94Å; A54-A58 PolarHBondContact O-N 2.96Å; A54-A58 VanDerWaalsContact O-N 3.14Å |
| 55 | A | 58.8 | Low | 56.9 | Low | 61 Ų | 61 | 116.4 Ų | 116.4 | 50% | 0.504 | 67% | 0.665 | S | S | . | * | H | α-helix | trans | -67.6 | -43.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | S52 Q57 A58 | S52-A55 PolarHBondContact O-N 2.67Å; A55-Q57 VanDerWaalsContact C-N 3.34Å; A55-Q57 PolarHBondContact O-N 3.46Å; A55-A58 PolarHBondContact O-N 2.9Å |
| 56 | W | 53.3 | Low | 57 | Low | 177 Ų | 177 | 118.4 Ų | 118.4 | 67% | 0.67 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -66.8 | -33 | 175.9 | -65.6 | 111.3 | 0 | 0 | 0 | 112.8 | S52 | S52-W56 PolarHBondContact O-N 3.33Å |
| 57 | Q | 64.4 | Low | 57.1 | Low | 99 Ų | 99 | 111.7 Ų | 111.7 | 46% | 0.463 | 66% | 0.663 | S | S | . | * | H | α-helix | trans | -69.9 | -31.6 | 174.1 | -86.9 | -160.5 | 28.4 | 0 | 0 | 113.5 | S53 A54 A55 M59 Q60 K61 | S53-Q57 PolarHBondContact O-N 3.13Å; A54-Q57 PolarHBondContact O-N 2.94Å; A55-Q57 VanDerWaalsContact C-N 3.34Å; A55-Q57 PolarHBondContact O-N 3.46Å; Q57-M59 VanDerWaalsContact C-N 3.28Å; Q57-M59 PolarHBondContact O-N 3.29Å; Q57-Q60 PolarHBondContact O-N 2.91Å; Q57-K61 WeakPolarHBondContact O-CG 3.42Å; Q57-K61 PolarHBondContact O-N 2.92Å |
| 58 | A | 60.4 | Low | 57.4 | Low | 71 Ų | 71 | 115.4 Ų | 115.4 | 59% | 0.587 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -66.1 | -31.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | A54 A55 Q60 | A54-A58 PolarHBondContact O-N 2.96Å; A54-A58 VanDerWaalsContact O-N 3.14Å; A55-A58 PolarHBondContact O-N 2.9Å; A58-Q60 VanDerWaalsContact C-N 3.35Å |
| 59 | M | 60 | Low | 57.1 | Low | 150 Ų | 150 | 115.9 Ų | 115.9 | 74% | 0.739 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -73.5 | -23.6 | 177.3 | -61 | -165.8 | 74.6 | 0 | 0 | 113.7 | Q57 | Q57-M59 VanDerWaalsContact C-N 3.28Å; Q57-M59 PolarHBondContact O-N 3.29Å |
| 60 | Q | 60.8 | Low | 57.6 | Low | 175 Ų | 175 | 117.6 Ų | 117.6 | 82% | 0.818 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -91.3 | -13.2 | -179.4 | -64.9 | -150.3 | 79.4 | 0 | 0 | 113.8 | Q57 A58 G62 | Q57-Q60 PolarHBondContact O-N 2.91Å; A58-Q60 VanDerWaalsContact C-N 3.35Å; Q60-G62 VanDerWaalsContact C-N 3.31Å |
| 61 | K | 59.2 | Low | 57.5 | Low | 147 Ų | 147 | 115.8 Ų | 115.8 | 64% | 0.639 | 65% | 0.649 | S | S | * | * | | | trans | -97.5 | 31.4 | 177 | -56 | -179.4 | -147.2 | -72 | 0 | 111.9 | Q57 G63 | Q57-K61 WeakPolarHBondContact O-CG 3.42Å; Q57-K61 PolarHBondContact O-N 2.92Å; K61-G63 VanDerWaalsContact C-N 3.28Å; K61-G63 PolarHBondContact O-N 2.87Å |
| 62 | G | 53.7 | Low | 57.4 | Low | 70 Ų | 70 | 116.8 Ų | 116.8 | 72% | 0.722 | 65% | 0.654 | S | S | * | * | | | trans | -85.1 | 64.9 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q60 | Q60-G62 VanDerWaalsContact C-N 3.31Š|
| 63 | G | 59.4 | Low | 57.2 | Low | 60 Ų | 60 | 121.7 Ų | 121.7 | 62% | 0.619 | 67% | 0.669 | S | S | * | * | | | trans | -125.8 | 114.9 | 179 | 0 | 0 | 0 | 0 | 0 | 111.5 | K61 | K61-G63 VanDerWaalsContact C-N 3.28Å; K61-G63 PolarHBondContact O-N 2.87Å |
| 64 | K | 61.4 | Low | 56.6 | Low | 213 Ų | 213 | 124.9 Ų | 124.9 | 93% | 0.926 | 68% | 0.68 | S | S | * | * | | | trans | 94 | 56.4 | 167.6 | -49.2 | 166.3 | 75.5 | 178.9 | 0 | 116.6 | | |
| 65 | N | 57.4 | Low | 56.1 | Low | 130 Ų | 130 | 131.9 Ų | 131.9 | 70% | 0.695 | 69% | 0.693 | S | S | * | * | | | trans | -118.2 | 108.6 | 144.1 | 53.6 | -7.8 | 0 | 0 | 0 | 108.3 | V67 | N65-V67 HydrophobicContact CB-CG2 4.31Å; N65-V67 PolarHBondContact O-N 2.87Å |
| 66 | N | 56.6 | Low | 55.9 | Low | 163 Ų | 163 | 132.3 Ų | 132.3 | 87% | 0.872 | 69% | 0.691 | S | S | * | * | | | trans | -70.6 | 77.1 | 170.1 | -173.1 | 7.6 | 0 | 0 | 0 | 108 | | |
| 67 | V | 53.5 | Low | 56.1 | Low | 81 Ų | 81 | 129 Ų | 129 | 49% | 0.491 | 69% | 0.693 | S | S | . | * | | | trans | -86.5 | 104.3 | 162.8 | -175.6 | 0 | 0 | 0 | 0 | 104.9 | N65 F69 | N65-V67 HydrophobicContact CB-CG2 4.31Å; N65-V67 PolarHBondContact O-N 2.87Å; V67-F69 VanDerWaalsContact C-N 3.3Å; V67-F69 HydrophobicContact CB-CE2 4.21Å; V67-F69 HydrophobicContact CG1-CE2 4.37Å; V67-F69 HydrophobicContact CG1-CZ 4.41Å; V67-F69 VanDerWaalsContact O-CD2 3.24Å; V67-F69 WeakPolarHBondContact O-CD2 3.37Å; V67-F69 PolarHBondContact O-N 2.8Å |
| 68 | H | 56.1 | Low | 55.6 | Low | 153 Ų | 153 | 129.9 Ų | 129.9 | 71% | 0.708 | 70% | 0.701 | S | S | * | * | | | trans | -61.5 | 96.2 | 170.7 | 175.3 | 74 | 0 | 0 | 0 | 108.2 | | |
| 69 | F | 49.4 | Very low | 55.3 | Low | 163 Ų | 163 | 130.5 Ų | 130.5 | 72% | 0.715 | 69% | 0.694 | S | S | * | * | | | trans | -71.5 | 124 | 162.1 | -67.7 | -83.8 | 0 | 0 | 0 | 106.7 | V67 S71 | V67-F69 VanDerWaalsContact C-N 3.3Å; V67-F69 HydrophobicContact CB-CE2 4.21Å; V67-F69 HydrophobicContact CG1-CE2 4.37Å; V67-F69 HydrophobicContact CG1-CZ 4.41Å; V67-F69 VanDerWaalsContact O-CD2 3.24Å; V67-F69 WeakPolarHBondContact O-CD2 3.37Å; V67-F69 PolarHBondContact O-N 2.8Å; F69-S71 VanDerWaalsContact C-N 3.27Å; F69-S71 PolarHBondContact O-N 2.82Å |
| 70 | P | 56.2 | Low | 55.2 | Low | 97 Ų | 97 | 128.6 Ų | 128.6 | 63% | 0.63 | 70% | 0.695 | S | S | * | * | | | trans | -64.1 | 99.4 | 168.5 | 25.6 | -30.4 | 0 | 0 | 0 | 107.2 | N72 | P70-N72 PolarHBondContact O-N 3.14Š|
| 71 | S | 47.9 | Very low | 54.9 | Low | 82 Ų | 82 | 122.4 Ų | 122.4 | 57% | 0.573 | 67% | 0.671 | S | S | * | * | | | trans | -63.8 | 88.7 | 167.1 | 162.4 | 0 | 0 | 0 | 0 | 107.2 | F69 Q73 | F69-S71 VanDerWaalsContact C-N 3.27Å; F69-S71 PolarHBondContact O-N 2.82Å; S71-Q73 PolarHBondContact O-N 2.91Å; S71-Q73 WeakPolarHBondContact OG-CG 3.41Å |
| 72 | N | 55 | Low | 54.9 | Low | 142 Ų | 142 | 119.3 Ų | 119.3 | 76% | 0.759 | 67% | 0.666 | S | S | * | * | | | trans | -67.6 | 87.7 | 160.8 | -89.4 | -55.8 | 0 | 0 | 0 | 107.5 | P70 N74 | P70-N72 PolarHBondContact O-N 3.14Å; N72-N74 PolarHBondContact O-N 3.22Å |
| 73 | Q | 56.8 | Low | 55 | Low | 179 Ų | 179 | 121.5 Ų | 121.5 | 84% | 0.836 | 66% | 0.662 | S | S | * | * | | | trans | -69.7 | 30.1 | 173.9 | -103.6 | 166.6 | 3.4 | 0 | 0 | 112.6 | S71 | S71-Q73 PolarHBondContact O-N 2.91Å; S71-Q73 WeakPolarHBondContact OG-CG 3.41Å |
| 74 | N | 48.6 | Very low | 54.9 | Low | 144 Ų | 144 | 123.2 Ų | 123.2 | 77% | 0.77 | 66% | 0.656 | S | S | * | * | | | trans | -103.9 | 41.4 | 174.4 | -163.9 | -0.9 | 0 | 0 | 0 | 110.9 | N72 | N72-N74 PolarHBondContact O-N 3.22Š|
| 75 | W | 48.9 | Very low | 54.7 | Low | 213 Ų | 213 | 119.5 Ų | 119.5 | 81% | 0.807 | 64% | 0.64 | S | S | * | * | S | Bend | trans | -101.4 | 110.7 | 160.9 | -127.8 | -43.8 | 0 | 0 | 0 | 107.1 | L79 | W75-L79 VanDerWaalsContact NE1-CD1 3.33Š|
| 76 | S | 55.4 | Low | 54.8 | Low | 69 Ų | 69 | 121.3 Ų | 121.3 | 48% | 0.483 | 64% | 0.642 | S | S | . | * | | | trans | -52.4 | 127.6 | 177 | -30.9 | 0 | 0 | 0 | 0 | 108.8 | N78 L79 | S76-N78 PolarHBondContact O-N 3.44Å; S76-L79 PolarHBondContact O-N 3.21Å |
| 77 | P | 57.1 | Low | 54.8 | Low | 109 Ų | 109 | 117.4 Ų | 117.4 | 71% | 0.708 | 62% | 0.624 | S | S | * | * | G | 310 helix | trans | -62.2 | -9.3 | -178.5 | 23.5 | -32.5 | 0 | 0 | 0 | 113.2 | L79 S80 | P77-L79 PolarHBondContact O-N 3.2Å; P77-S80 PolarHBondContact O-N 2.98Å |
| 78 | N | 53.6 | Low | 55 | Low | 117 Ų | 117 | 118.5 Ų | 118.5 | 63% | 0.626 | 63% | 0.633 | S | S | * | * | G | 310 helix | trans | -64.2 | -14.9 | 174.5 | -71.3 | -1.8 | 0 | 0 | 0 | 113.8 | S76 L84 | S76-N78 PolarHBondContact O-N 3.44Å; N78-L84 HydrophobicContact CB-CD1 4.43Å; N78-L84 WeakPolarHBondContact O-CD1 3.24Å |
| 79 | L | 54.1 | Low | 55.2 | Low | 84 Ų | 84 | 119.4 Ų | 119.4 | 44% | 0.44 | 64% | 0.638 | S | S | . | * | G | 310 helix | trans | -90.2 | -2 | 176.8 | -59.8 | -178.1 | 0 | 0 | 0 | 114.3 | W75 S76 P77 S81 | W75-L79 VanDerWaalsContact NE1-CD1 3.33Å; S76-L79 PolarHBondContact O-N 3.21Å; P77-L79 PolarHBondContact O-N 3.2Å; L79-S81 VanDerWaalsContact C-N 3.26Å; L79-S81 PolarHBondContact O-N 2.92Å |
| 80 | S | 57.1 | Low | 55.6 | Low | 110 Ų | 110 | 117.1 Ų | 117.1 | 77% | 0.769 | 64% | 0.637 | S | S | * | * | S | Bend | trans | -75.3 | -15.1 | 178.3 | 129.2 | 0 | 0 | 0 | 0 | 113 | P77 P82 | P77-S80 PolarHBondContact O-N 2.98Å; S80-P82 WeakPolarHBondContact O-CD 3.18Å |
| 81 | S | 56.5 | Low | 55.8 | Low | 44 Ų | 44 | 119 Ų | 119 | 31% | 0.308 | 64% | 0.642 | S | S | . | * | | | trans | -88.1 | 117.8 | 176.1 | -177.6 | 0 | 0 | 0 | 0 | 110.6 | L79 N83 L84 | L79-S81 VanDerWaalsContact C-N 3.26Å; L79-S81 PolarHBondContact O-N 2.92Å; S81-N83 PolarHBondContact O-N 3.29Å; S81-N83 PolarHBondContact OG-N 3.24Å; S81-L84 PolarHBondContact O-N 2.96Å |
| 82 | P | 57.7 | Low | 56.3 | Low | 83 Ų | 83 | 123 Ų | 123 | 54% | 0.539 | 65% | 0.651 | S | S | . | * | G | 310 helix | trans | -61.4 | -17.4 | 176 | 24.5 | -32.3 | 0 | 0 | 0 | 112.5 | S80 L84 F86 | S80-P82 WeakPolarHBondContact O-CD 3.18Å; P82-L84 VanDerWaalsContact C-N 3.33Å; P82-L84 PolarHBondContact O-N 3.33Å; P82-F86 VanDerWaalsContact O-CD2 3.22Å; P82-F86 WeakPolarHBondContact O-CD2 3.38Å |
| 83 | N | 57 | Low | 56.7 | Low | 116 Ų | 116 | 123.2 Ų | 123.2 | 62% | 0.62 | 65% | 0.652 | S | S | * | * | G | 310 helix | trans | -76.8 | -15.5 | -178.1 | -62.4 | -39.8 | 0 | 0 | 0 | 113.9 | S81 F85 | S81-N83 PolarHBondContact O-N 3.29Å; S81-N83 PolarHBondContact OG-N 3.24Å; N83-F85 VanDerWaalsContact C-N 3.31Å |
| 84 | L | 56.4 | Low | 56.9 | Low | 95 Ų | 95 | 123.4 Ų | 123.4 | 50% | 0.497 | 65% | 0.647 | S | S | . | * | G | 310 helix | trans | -80.5 | -13.1 | 177.5 | -84.9 | 157.4 | 0 | 0 | 0 | 113.2 | N78 S81 P82 | N78-L84 HydrophobicContact CB-CD1 4.43Å; N78-L84 WeakPolarHBondContact O-CD1 3.24Å; S81-L84 PolarHBondContact O-N 2.96Å; P82-L84 VanDerWaalsContact C-N 3.33Å; P82-L84 PolarHBondContact O-N 3.33Å |
| 85 | F | 58.3 | Low | 57.8 | Low | 135 Ų | 135 | 121.4 Ų | 121.4 | 59% | 0.592 | 65% | 0.651 | S | S | * | * | G | 310 helix | trans | -85.4 | -8.5 | 175 | -62.8 | -76.1 | 0 | 0 | 0 | 113.6 | N83 | N83-F85 VanDerWaalsContact C-N 3.31Š|
| 86 | F | 58.3 | Low | 58.8 | Low | 168 Ų | 168 | 112.8 Ų | 112.8 | 74% | 0.737 | 63% | 0.628 | S | S | * | * | S | Bend | trans | -121.3 | 8.1 | -173.1 | -63.2 | -70.2 | 0 | 0 | 0 | 114.2 | P82 P88 | P82-F86 VanDerWaalsContact O-CD2 3.22Å; P82-F86 WeakPolarHBondContact O-CD2 3.38Å; F86-P88 WeakPolarHBondContact O-CD 3.38Å |
| 87 | T | 57.3 | Low | 59.3 | Low | 81 Ų | 81 | 113.4 Ų | 113.4 | 50% | 0.497 | 64% | 0.637 | S | S | . | * | | | trans | -80.1 | 112.7 | 171.4 | 48.8 | 0 | 0 | 0 | 0 | 108.9 | Q89 | T87-Q89 PolarHBondContact O-N 3.46Š|
| 88 | P | 58.1 | Low | 59.4 | Low | 104 Ų | 104 | 116.3 Ų | 116.3 | 68% | 0.675 | 64% | 0.639 | S | S | * | * | | | trans | -69.7 | 100 | 173.7 | 28.9 | -31.1 | 0 | 0 | 0 | 107 | F86 T90 | F86-P88 WeakPolarHBondContact O-CD 3.38Å; P88-T90 VanDerWaalsContact C-N 3.33Å; P88-T90 PolarHBondContact O-N 3.46Å |
| 89 | Q | 59.5 | Low | 59.8 | Low | 173 Ų | 173 | 119.6 Ų | 119.6 | 81% | 0.808 | 65% | 0.648 | S | S | * | * | | | trans | -67.8 | 99.2 | 169.5 | -75.1 | -75.7 | 28.3 | 0 | 0 | 107.2 | T87 N91 | T87-Q89 PolarHBondContact O-N 3.46Å; Q89-N91 PolarHBondContact O-N 3.28Å |
| 90 | T | 57.6 | Low | 60.4 | Low | 115 Ų | 115 | 120.5 Ų | 120.5 | 71% | 0.706 | 66% | 0.661 | S | S | * | * | | | trans | -63.7 | 104.4 | 177.3 | 56.8 | 0 | 0 | 0 | 0 | 108.5 | P88 | P88-T90 VanDerWaalsContact C-N 3.33Å; P88-T90 PolarHBondContact O-N 3.46Å |
| 91 | N | 61.4 | Low | 61.4 | Low | 137 Ų | 137 | 123.4 Ų | 123.4 | 73% | 0.733 | 66% | 0.662 | S | S | * | * | | | trans | 44.2 | 94.3 | 159.9 | -61.1 | -66.2 | 0 | 0 | 0 | 115.9 | Q89 | Q89-N91 PolarHBondContact O-N 3.28Š|
| 92 | Q | 58.3 | Low | 62.5 | Low | 165 Ų | 165 | 126.3 Ų | 126.3 | 77% | 0.771 | 68% | 0.681 | S | S | * | * | | | trans | -154 | 98.7 | 136.9 | -75.1 | -47.7 | -43.6 | 0 | 0 | 109.4 | Y94 | Q92-Y94 PolarHBondContact O-N 3.44Š|
| 93 | N | 63.1 | Low | 63.6 | Low | 146 Ų | 146 | 127.1 Ų | 127.1 | 78% | 0.781 | 69% | 0.686 | S | S | * | * | | | trans | 39.9 | 71.7 | 145.7 | -57.9 | -64.7 | 0 | 0 | 0 | 116.5 | A95 | N93-A95 PolarHBondContact O-N 3.14Š|
| 94 | Y | 60.3 | Low | 65.1 | Low | 183 Ų | 183 | 124.8 Ų | 124.8 | 72% | 0.718 | 68% | 0.678 | S | S | * | * | | | trans | -74.4 | 112.7 | 172.2 | -154.9 | -98 | 0 | 0 | 0 | 110.7 | Q92 K98 | Q92-Y94 PolarHBondContact O-N 3.44Å; Y94-K98 PolarHBondContact O-NZ 2.82Å |
| 95 | A | 67.3 | Low | 66.5 | Low | 103 Ų | 103 | 125.2 Ų | 125.2 | 85% | 0.851 | 69% | 0.687 | S | S | * | * | | | trans | -107.6 | 34.9 | 175 | 0 | 0 | 0 | 0 | 0 | 112.2 | N93 | N93-A95 PolarHBondContact O-N 3.14Š|
| 96 | G | 71 | Confident | 67.9 | Low | 32 Ų | 32 | 123.9 Ų | 123.9 | 33% | 0.33 | 69% | 0.694 | S | S | . | * | S | Bend | trans | -100.7 | 177.6 | 165.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | K98 | G96-K98 PolarHBondContact O-N 2.85Š|
| 97 | A | 64.4 | Low | 69.4 | Low | 82 Ų | 82 | 121.1 Ų | 121.1 | 68% | 0.678 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -42.4 | 117.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | F99 | A97-F99 PolarHBondContact O-N 3.33Š|
| 98 | K | 61 | Low | 71 | Confident | 170 Ų | 170 | 123.1 Ų | 123.1 | 74% | 0.739 | 70% | 0.698 | S | S | * | * | | | trans | -69.4 | 67.9 | -167.2 | -65.4 | -75.6 | -175.1 | -175.1 | 0 | 111.5 | Y94 G96 S100 | Y94-K98 PolarHBondContact O-NZ 2.82Å; G96-K98 PolarHBondContact O-N 2.85Å; K98-S100 VanDerWaalsContact C-N 3.29Å; K98-S100 PolarHBondContact O-N 2.89Å |
| 99 | F | 60.5 | Low | 72.6 | Confident | 186 Ų | 186 | 123.7 Ų | 123.7 | 82% | 0.816 | 70% | 0.702 | S | S | * | * | | | trans | -87.2 | 87.8 | 149.7 | -64.6 | -80.7 | 0 | 0 | 0 | 104.8 | A97 | A97-F99 PolarHBondContact O-N 3.33Š|
| 100 | S | 68.2 | Low | 74.2 | Confident | 103 Ų | 103 | 125 Ų | 125 | 72% | 0.72 | 71% | 0.705 | S | S | * | * | | | trans | -47.2 | 152.7 | 155 | 51.7 | 0 | 0 | 0 | 0 | 108.6 | K98 | K98-S100 VanDerWaalsContact C-N 3.29Å; K98-S100 PolarHBondContact O-N 2.89Å |
| 101 | E | 77.4 | Confident | 76 | Confident | 170 Ų | 170 | 123 Ų | 123 | 79% | 0.794 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -42.6 | 131.4 | 175.8 | -162.3 | 159.3 | 164 | 0 | 0 | 110.8 | | |
| 102 | P | 80.2 | Confident | 77.6 | Confident | 106 Ų | 106 | 119.1 Ų | 119.1 | 69% | 0.688 | 68% | 0.676 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 148.7 | -175 | 23.1 | -34 | 0 | 0 | 0 | 110.1 | S104 | P102-S104 PolarHBondContact O-N 3.42Š|
| 103 | P | 80.8 | Confident | 79.2 | Confident | 100 Ų | 100 | 115.9 Ų | 115.9 | 65% | 0.649 | 67% | 0.672 | S | S | * | * | P | Polyproline II helix | trans | -55.6 | 142.2 | 178.4 | 26.1 | -34.6 | 0 | 0 | 0 | 109.3 | | |
| 104 | S | 87.8 | Confident | 80.6 | Confident | 66 Ų | 66 | 116.4 Ų | 116.4 | 46% | 0.462 | 67% | 0.669 | S | S | . | * | P | Polyproline II helix | trans | -50.2 | 136.6 | 177 | 173.3 | 0 | 0 | 0 | 0 | 109.8 | P102 S106 V107 | P102-S104 PolarHBondContact O-N 3.42Å; S104-S106 PolarHBondContact O-N 3.46Å; S104-V107 WeakPolarHBondContact O-CB 3.22Å; S104-V107 WeakPolarHBondContact O-CG2 3.45Å; S104-V107 PolarHBondContact O-N 3.48Å |
| 105 | P | 85.8 | Confident | 82.3 | Confident | 104 Ų | 104 | 116.4 Ų | 116.4 | 68% | 0.675 | 67% | 0.668 | S | S | * | * | G | 310 helix | trans | -58.5 | -21.3 | -177 | 23.8 | -35 | 0 | 0 | 0 | 112.7 | V107 L108 | P105-V107 PolarHBondContact O-N 3.22Å; P105-L108 WeakPolarHBondContact O-CB 3.14Å; P105-L108 PolarHBondContact O-N 3.04Å |
| 106 | S | 87.4 | Confident | 83.5 | Confident | 108 Ų | 108 | 115.1 Ų | 115.1 | 76% | 0.755 | 65% | 0.649 | S | S | * | * | G | 310 helix | trans | -68.6 | -15 | 174.9 | -52.5 | 0 | 0 | 0 | 0 | 114.4 | S104 L108 | S104-S106 PolarHBondContact O-N 3.46Å; S106-L108 VanDerWaalsContact C-N 3.27Å |
| 107 | V | 90.2 | Very high | 84.1 | Confident | 109 Ų | 109 | 119.2 Ų | 119.2 | 66% | 0.661 | 67% | 0.67 | S | S | * | * | G | 310 helix | trans | -79.4 | -14.7 | 176.2 | -175.3 | 0 | 0 | 0 | 0 | 111.3 | S104 P105 | S104-V107 WeakPolarHBondContact O-CB 3.22Å; S104-V107 WeakPolarHBondContact O-CG2 3.45Å; S104-V107 PolarHBondContact O-N 3.48Å; P105-V107 PolarHBondContact O-N 3.22Å |
| 108 | L | 90.2 | Very high | 85 | Confident | 123 Ų | 123 | 119.8 Ų | 119.8 | 64% | 0.644 | 67% | 0.665 | S | S | * | * | S | Bend | trans | -73.8 | 139.9 | 175.8 | -62 | 179.1 | 0 | 0 | 0 | 110.8 | P105 S106 | P105-L108 WeakPolarHBondContact O-CB 3.14Å; P105-L108 PolarHBondContact O-N 3.04Å; S106-L108 VanDerWaalsContact C-N 3.27Å |
| 109 | P | 92.4 | Very high | 85.9 | Confident | 117 Ų | 117 | 116.4 Ų | 116.4 | 76% | 0.76 | 66% | 0.663 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 148.3 | 174.8 | 27.5 | -34.1 | 0 | 0 | 0 | 110.3 | | |
| 110 | K | 93.4 | Very high | 86.7 | Confident | 199 Ų | 199 | 113.5 Ų | 113.5 | 87% | 0.865 | 65% | 0.65 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 137.3 | 173.6 | -72.5 | 172.3 | -178.8 | 168.2 | 0 | 109.5 | | |
| 111 | P | 94.1 | Very high | 87.4 | Confident | 75 Ų | 75 | 114.4 Ų | 114.4 | 49% | 0.487 | 64% | 0.641 | S | S | . | * | P | Polyproline II helix | trans | -64.3 | 156.7 | 174.8 | 29.2 | -36.2 | 0 | 0 | 0 | 110.5 | S113 V116 | P111-S113 PolarHBondContact O-N 3.31Å; P111-V116 HydrophobicContact CB-CG2 4.13Å; P111-V116 HydrophobicContact CG-CG2 3.37Å |
| 112 | P | 95.6 | Very high | 87.6 | Confident | 55 Ų | 55 | 109.8 Ų | 109.8 | 36% | 0.357 | 63% | 0.626 | S | S | . | * | P | Polyproline II helix | trans | -49.3 | 136.7 | 169.7 | -27.3 | 35 | 0 | 0 | 0 | 111.8 | H114 W115 | P112-H114 PolarHBondContact O-N 3.25Å; P112-H114 VanDerWaalsContact O-N 3.11Å; P112-W115 HydrophobicContact CB-CD2 4.08Å; P112-W115 HydrophobicContact CB-CG 4.05Å; P112-W115 HydrophobicContact CG-CD2 3.81Å; P112-W115 HydrophobicContact CG-CE3 4.01Å; P112-W115 HydrophobicContact CG-CG 4.31Å; P112-W115 HydrophobicContact CG-CH2 4.3Å; P112-W115 HydrophobicContact CG-CZ2 4.12Å; P112-W115 HydrophobicContact CG-CZ3 4.24Å; P112-W115 WeakPolarHBondContact O-CB 2.87Å; P112-W115 PolarHBondContact O-N 3.05Å |
| 113 | S | 92.5 | Very high | 87.7 | Confident | 96 Ų | 96 | 107.6 Ų | 107.6 | 67% | 0.671 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.2 | -30.9 | -173.2 | -175.8 | 0 | 0 | 0 | 0 | 113.6 | P111 W115 | P111-S113 PolarHBondContact O-N 3.31Å; S113-W115 VanDerWaalsContact C-N 3.26Å; S113-W115 PolarHBondContact O-N 3.17Å |
| 114 | H | 93.1 | Very high | 88 | Confident | 157 Ų | 157 | 106.2 Ų | 106.2 | 73% | 0.727 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.8 | -6.9 | -179.5 | 68.3 | -81.8 | 0 | 0 | 0 | 113.3 | P112 | P112-H114 PolarHBondContact O-N 3.25Å; P112-H114 VanDerWaalsContact O-N 3.11Å |
| 115 | W | 94.3 | Very high | 88.1 | Confident | 183 Ų | 183 | 108.4 Ų | 108.4 | 69% | 0.693 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.5 | -24.8 | 173.9 | -66.8 | 3.9 | 0 | 0 | 0 | 112.2 | P112 S113 | P112-W115 HydrophobicContact CB-CD2 4.08Å; P112-W115 HydrophobicContact CB-CG 4.05Å; P112-W115 HydrophobicContact CG-CD2 3.81Å; P112-W115 HydrophobicContact CG-CE3 4.01Å; P112-W115 HydrophobicContact CG-CG 4.31Å; P112-W115 HydrophobicContact CG-CH2 4.3Å; P112-W115 HydrophobicContact CG-CZ2 4.12Å; P112-W115 HydrophobicContact CG-CZ3 4.24Å; P112-W115 WeakPolarHBondContact O-CB 2.87Å; P112-W115 PolarHBondContact O-N 3.05Å; S113-W115 VanDerWaalsContact C-N 3.26Å; S113-W115 PolarHBondContact O-N 3.17Å |
| 116 | V | 92.8 | Very high | 88.3 | Confident | 77 Ų | 77 | 109.2 Ų | 109.2 | 47% | 0.467 | 60% | 0.596 | S | S | . | * | S | Bend | trans | -100.8 | 123.4 | 178.1 | -178.5 | 0 | 0 | 0 | 0 | 108.1 | P111 V118 | P111-V116 HydrophobicContact CB-CG2 4.13Å; P111-V116 HydrophobicContact CG-CG2 3.37Å; V116-V118 PolarHBondContact O-N 3.43Å |
| 117 | P | 85 | Confident | 88.5 | Confident | 117 Ų | 117 | 108.9 Ų | 108.9 | 76% | 0.76 | 59% | 0.585 | S | S | * | * | P | Polyproline II helix | trans | -54.8 | 128.4 | 173.9 | -23.1 | 32.6 | 0 | 0 | 0 | 110 | S119 | P117-S119 PolarHBondContact O-N 3.26Š|
| 118 | V | 83 | Confident | 88.6 | Confident | 95 Ų | 95 | 108.6 Ų | 108.6 | 58% | 0.576 | 58% | 0.577 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 135.2 | 172.5 | -179 | 0 | 0 | 0 | 0 | 107.8 | V116 F120 | V116-V118 PolarHBondContact O-N 3.43Å; V118-F120 HydrophobicContact CB-CE2 4.25Å; V118-F120 WeakPolarHBondContact O-CD2 3.42Å; V118-F120 PolarHBondContact O-N 3.45Å |
| 119 | S | 79.1 | Confident | 88.8 | Confident | 98 Ų | 98 | 106.4 Ų | 106.4 | 69% | 0.685 | 57% | 0.569 | S | S | * | * | | | trans | -63.3 | 97.8 | 173.3 | 172.7 | 0 | 0 | 0 | 0 | 109.4 | P117 | P117-S119 PolarHBondContact O-N 3.26Š|
| 120 | F | 76.4 | Confident | 88.8 | Confident | 126 Ų | 126 | 107 Ų | 107 | 55% | 0.553 | 56% | 0.56 | S | S | * | * | | | trans | -76.7 | 143.8 | 168.1 | -72.1 | -83.3 | 0 | 0 | 0 | 109.7 | V118 | V118-F120 HydrophobicContact CB-CE2 4.25Å; V118-F120 WeakPolarHBondContact O-CD2 3.42Å; V118-F120 PolarHBondContact O-N 3.45Å |
| 121 | K | 84.9 | Confident | 88.9 | Confident | 121 Ų | 121 | 102.5 Ų | 102.5 | 53% | 0.526 | 54% | 0.542 | S | S | . | . | | | trans | -63.9 | 143.7 | 170.8 | -62.8 | -62.7 | 99.7 | 176.4 | 0 | 108.8 | S123 D124 K125 | K121-S123 PolarHBondContact O-N 3.47Å; K121-S123 VanDerWaalsContact O-N 3.13Å; K121-D124 PolarHBondContact O-N 2.97Å; K121-K125 PolarHBondContact O-N 3.44Å |
| 122 | P | 80.2 | Confident | 89 | Confident | 74 Ų | 74 | 103.1 Ų | 103.1 | 48% | 0.481 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -56.3 | -28.3 | 178.8 | -27.9 | 35.7 | 0 | 0 | 0 | 114.6 | K125 E126 | P122-K125 VanDerWaalsContact CA-CE 3.44Å; P122-K125 VanDerWaalsContact O-CE 3.25Å; P122-K125 WeakPolarHBondContact O-CE 3.25Å; P122-K125 WeakPolarHBondContact O-CG 3.15Å; P122-E126 WeakPolarHBondContact O-CG 3.33Å |
| 123 | S | 83.5 | Confident | 88.9 | Confident | 59 Ų | 59 | 105.8 Ų | 105.8 | 41% | 0.413 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -64.6 | -41.6 | 173.1 | 51.2 | 0 | 0 | 0 | 0 | 112.5 | K121 K125 E126 I127 | K121-S123 PolarHBondContact O-N 3.47Å; K121-S123 VanDerWaalsContact O-N 3.13Å; S123-K125 PolarHBondContact O-N 3.47Å; S123-E126 PolarHBondContact O-N 2.88Å; S123-I127 VanDerWaalsContact O-CG1 3.3Å; S123-I127 WeakPolarHBondContact O-CG1 3.4Å; S123-I127 PolarHBondContact O-N 3.33Å |
| 124 | D | 87 | Confident | 89 | Confident | 72 Ų | 72 | 105 Ų | 105 | 39% | 0.385 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -72.9 | -35.7 | -169.2 | -56.6 | -12.6 | 0 | 0 | 0 | 110.9 | K121 E126 M128 | K121-D124 PolarHBondContact O-N 2.97Å; D124-E126 VanDerWaalsContact C-N 3.34Å; D124-M128 WeakPolarHBondContact O-CB 3.43Å; D124-M128 PolarHBondContact O-N 3.13Å |
| 125 | K | 88.8 | Confident | 89.2 | Confident | 111 Ų | 111 | 104.1 Ų | 104.1 | 48% | 0.483 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -63.5 | -39.3 | 172.3 | 60.2 | 178.4 | -163.6 | -167.2 | 0 | 111.5 | K121 P122 S123 T129 | K121-K125 PolarHBondContact O-N 3.44Å; P122-K125 VanDerWaalsContact CA-CE 3.44Å; P122-K125 VanDerWaalsContact O-CE 3.25Å; P122-K125 WeakPolarHBondContact O-CE 3.25Å; P122-K125 WeakPolarHBondContact O-CG 3.15Å; S123-K125 PolarHBondContact O-N 3.47Å; K125-T129 WeakPolarHBondContact O-CB 3.15Å; K125-T129 WeakPolarHBondContact O-CG2 3.34Å; K125-T129 PolarHBondContact O-N 3.41Å; K125-T129 PolarHBondContact O-OG1 2.89Å |
| 126 | E | 89.7 | Confident | 89.3 | Confident | 122 Ų | 122 | 101.2 Ų | 101.2 | 57% | 0.57 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -70.5 | -43 | 180 | -73.3 | 169 | -167.5 | 0 | 0 | 111.2 | P122 S123 D124 T129 F130 | P122-E126 WeakPolarHBondContact O-CG 3.33Å; S123-E126 PolarHBondContact O-N 2.88Å; D124-E126 VanDerWaalsContact C-N 3.34Å; E126-T129 WeakPolarHBondContact CA-OG1 3.3Å; E126-T129 PolarHBondContact O-N 2.91Å; E126-T129 PolarHBondContact O-OG1 3.47Å; E126-F130 WeakPolarHBondContact O-CB 3.47Å; E126-F130 PolarHBondContact O-N 3.46Å |
| 127 | I | 92.2 | Very high | 89.4 | Confident | 100 Ų | 100 | 106.4 Ų | 106.4 | 51% | 0.513 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -62.7 | -49.5 | 174.9 | -64.3 | 161.6 | 0 | 0 | 0 | 109.8 | S123 T129 F130 Q131 | S123-I127 VanDerWaalsContact O-CG1 3.3Å; S123-I127 WeakPolarHBondContact O-CG1 3.4Å; S123-I127 PolarHBondContact O-N 3.33Å; I127-T129 PolarHBondContact O-N 3.37Å; I127-F130 PolarHBondContact O-N 2.94Å; I127-Q131 HydrophobicContact CG2-CG 4.37Å; I127-Q131 VanDerWaalsContact O-CG 3.25Å; I127-Q131 WeakPolarHBondContact O-CG 3.25Å; I127-Q131 PolarHBondContact O-N 3.31Å |
| 128 | M | 93.3 | Very high | 89.4 | Confident | 103 Ų | 103 | 104.9 Ų | 104.9 | 51% | 0.507 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -59.7 | -46.4 | 179.5 | -177.1 | 178.7 | -62.1 | 0 | 0 | 111.4 | D124 F130 Q131 L132 | D124-M128 WeakPolarHBondContact O-CB 3.43Å; D124-M128 PolarHBondContact O-N 3.13Å; M128-F130 PolarHBondContact O-N 2.94Å; M128-Q131 PolarHBondContact O-N 2.83Å; M128-L132 HydrophobicContact CG-CD1 3.63Å; M128-L132 WeakPolarHBondContact O-CB 3.22Å; M128-L132 WeakPolarHBondContact O-CD1 3.27Å; M128-L132 PolarHBondContact O-N 3.33Å |
| 129 | T | 93.1 | Very high | 89.1 | Confident | 77 Ų | 77 | 109.2 Ų | 109.2 | 47% | 0.472 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -63.4 | -40.3 | 177.9 | 52 | 0 | 0 | 0 | 0 | 112.3 | K125 E126 I127 L132 K133 | K125-T129 WeakPolarHBondContact O-CB 3.15Å; K125-T129 WeakPolarHBondContact O-CG2 3.34Å; K125-T129 PolarHBondContact O-N 3.41Å; K125-T129 PolarHBondContact O-OG1 2.89Å; E126-T129 WeakPolarHBondContact CA-OG1 3.3Å; E126-T129 PolarHBondContact O-N 2.91Å; E126-T129 PolarHBondContact O-OG1 3.47Å; I127-T129 PolarHBondContact O-N 3.37Å; T129-L132 PolarHBondContact O-N 2.97Å; T129-K133 WeakPolarHBondContact O-CB 3.49Å; T129-K133 VanDerWaalsContact O-CG 3.24Å; T129-K133 WeakPolarHBondContact O-CG 3.24Å; T129-K133 PolarHBondContact O-N 2.9Å |
| 130 | F | 93.3 | Very high | 88.3 | Confident | 130 Ų | 130 | 112.1 Ų | 112.1 | 57% | 0.57 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -60.3 | -50.6 | 173.9 | 177 | -94.8 | 0 | 0 | 0 | 111.7 | E126 I127 M128 L132 K133 T134 | E126-F130 WeakPolarHBondContact O-CB 3.47Å; E126-F130 PolarHBondContact O-N 3.46Å; I127-F130 PolarHBondContact O-N 2.94Å; M128-F130 PolarHBondContact O-N 2.94Å; F130-L132 VanDerWaalsContact C-N 3.32Å; F130-L132 PolarHBondContact O-N 3.19Å; F130-K133 WeakPolarHBondContact O-CB 2.95Å; F130-K133 PolarHBondContact O-N 3.15Å; F130-K133 VanDerWaalsContact O-N 3.15Å; F130-T134 PolarHBondContact O-N 2.94Å; F130-T134 PolarHBondContact O-OG1 3.15Å; F130-T134 VanDerWaalsContact O-OG1 3.11Å |
| 131 | Q | 94.8 | Very high | 88.9 | Confident | 105 Ų | 105 | 111.4 Ų | 111.4 | 49% | 0.491 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -57.7 | -45.2 | 178.7 | -65.1 | -64 | -33.3 | 0 | 0 | 111.7 | I127 M128 T134 L135 | I127-Q131 HydrophobicContact CG2-CG 4.37Å; I127-Q131 VanDerWaalsContact O-CG 3.25Å; I127-Q131 WeakPolarHBondContact O-CG 3.25Å; I127-Q131 PolarHBondContact O-N 3.31Å; M128-Q131 PolarHBondContact O-N 2.83Å; Q131-T134 PolarHBondContact O-N 3.41Å; Q131-L135 WeakPolarHBondContact O-CG 3.42Å; Q131-L135 PolarHBondContact O-N 3.18Å |
| 132 | L | 95.9 | Very high | 89.1 | Confident | 87 Ų | 87 | 110.9 Ų | 110.9 | 46% | 0.455 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -61.8 | -44.5 | 175.8 | -91.5 | 135.3 | 0 | 0 | 0 | 112 | M128 T129 F130 T134 L135 L136 | M128-L132 HydrophobicContact CG-CD1 3.63Å; M128-L132 WeakPolarHBondContact O-CB 3.22Å; M128-L132 WeakPolarHBondContact O-CD1 3.27Å; M128-L132 PolarHBondContact O-N 3.33Å; T129-L132 PolarHBondContact O-N 2.97Å; F130-L132 VanDerWaalsContact C-N 3.32Å; F130-L132 PolarHBondContact O-N 3.19Å; L132-T134 VanDerWaalsContact C-N 3.3Å; L132-T134 PolarHBondContact O-N 2.96Å; L132-L135 PolarHBondContact O-N 3.26Å; L132-L136 HydrophobicContact CD2-CD1 4.27Å; L132-L136 VanDerWaalsContact O-CB 3.27Å; L132-L136 WeakPolarHBondContact O-CB 3.4Å; L132-L136 WeakPolarHBondContact O-CG 3.37Å; L132-L136 PolarHBondContact O-N 2.94Å |
| 133 | K | 94.6 | Very high | 89.6 | Confident | 111 Ų | 111 | 112.9 Ų | 112.9 | 48% | 0.483 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -59.3 | -42.2 | 176.1 | -75.5 | 174.1 | 68 | 176.2 | 0 | 111.6 | T129 F130 K137 V138 | T129-K133 WeakPolarHBondContact O-CB 3.49Å; T129-K133 VanDerWaalsContact O-CG 3.24Å; T129-K133 WeakPolarHBondContact O-CG 3.24Å; T129-K133 PolarHBondContact O-N 2.9Å; F130-K133 WeakPolarHBondContact O-CB 2.95Å; F130-K133 PolarHBondContact O-N 3.15Å; F130-K133 VanDerWaalsContact O-N 3.15Å; K133-K137 PolarHBondContact O-N 3.46Å; K133-V138 PolarHBondContact O-N 3.11Å; K133-V138 VanDerWaalsContact O-N 3.09Å |
| 134 | T | 94.9 | Very high | 89.9 | Confident | 79 Ų | 79 | 116.1 Ų | 116.1 | 49% | 0.485 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -63.9 | -48.7 | 176.5 | -56.8 | 0 | 0 | 0 | 0 | 111.8 | F130 Q131 L132 L136 K137 | F130-T134 PolarHBondContact O-N 2.94Å; F130-T134 PolarHBondContact O-OG1 3.15Å; F130-T134 VanDerWaalsContact O-OG1 3.11Å; Q131-T134 PolarHBondContact O-N 3.41Å; L132-T134 VanDerWaalsContact C-N 3.3Å; L132-T134 PolarHBondContact O-N 2.96Å; T134-L136 VanDerWaalsContact C-N 3.35Å; T134-L136 PolarHBondContact O-N 3.09Å; T134-K137 PolarHBondContact O-N 3.05Å; T134-K137 VanDerWaalsContact O-N 3.15Å |
| 135 | L | 96.5 | Very high | 90.1 | Very high | 140 Ų | 140 | 118.9 Ų | 118.9 | 73% | 0.733 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -63.1 | -40.9 | 179.9 | -75.2 | 170.9 | 0 | 0 | 0 | 112.5 | Q131 L132 K137 | Q131-L135 WeakPolarHBondContact O-CG 3.42Å; Q131-L135 PolarHBondContact O-N 3.18Å; L132-L135 PolarHBondContact O-N 3.26Å; L135-K137 PolarHBondContact O-N 2.89Å |
| 136 | L | 96.7 | Very high | 90.2 | Very high | 122 Ų | 122 | 119.4 Ų | 119.4 | 64% | 0.639 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.4 | -4.5 | 179.4 | -63.2 | 175.7 | 0 | 0 | 0 | 112.7 | L132 T134 V138 | L132-L136 HydrophobicContact CD2-CD1 4.27Å; L132-L136 VanDerWaalsContact O-CB 3.27Å; L132-L136 WeakPolarHBondContact O-CB 3.4Å; L132-L136 WeakPolarHBondContact O-CG 3.37Å; L132-L136 PolarHBondContact O-N 2.94Å; T134-L136 VanDerWaalsContact C-N 3.35Å; T134-L136 PolarHBondContact O-N 3.09Å; L136-V138 HydrophobicContact CB-CG2 3.74Å; L136-V138 PolarHBondContact O-N 3.24Å |
| 137 | K | 93.6 | Very high | 90.2 | Very high | 185 Ų | 185 | 119.2 Ų | 119.2 | 80% | 0.804 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 48.8 | 40.9 | -176.2 | -59.3 | 172.2 | 77.3 | 173 | 0 | 111.7 | K133 T134 L135 Q139 | K133-K137 PolarHBondContact O-N 3.46Å; T134-K137 PolarHBondContact O-N 3.05Å; T134-K137 VanDerWaalsContact O-N 3.15Å; L135-K137 PolarHBondContact O-N 2.89Å; K137-Q139 PolarHBondContact O-N 3.19Å |
| 138 | V | 85.6 | Confident | 90.1 | Very high | 85 Ų | 85 | 120.7 Ų | 120.7 | 52% | 0.515 | 64% | 0.641 | S | S | . | * | | | trans | -71.2 | 115.5 | 177.5 | 177.9 | 0 | 0 | 0 | 0 | 107.7 | K133 L136 | K133-V138 PolarHBondContact O-N 3.11Å; K133-V138 VanDerWaalsContact O-N 3.09Å; L136-V138 HydrophobicContact CB-CG2 3.74Å; L136-V138 PolarHBondContact O-N 3.24Å |
| 139 | Q | 76.2 | Confident | 89.8 | Confident | 187 Ų | 187 | 122.2 Ų | 122.2 | 87% | 0.874 | 65% | 0.652 | S | S | * | * | | | trans | -73.6 | 139.4 | 175 | -141.8 | 167 | -0.7 | 0 | 0 | 109.1 | K137 | K137-Q139 PolarHBondContact O-N 3.19Š|
| 140 | A | 62.8 | Low | 89.5 | Confident | 158 Ų | 158 | 126.3 Ų | 126.3 | 100% | 1.306 | 67% | 0.669 | S | S | * | * | | | trans | -79.4 | 0 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |