| 1 | M | 55.5 | Low | 67.5 | Low | 241 Ų | 241 | 139.5 Ų | 139.5 | 100% | 1.187 | 83% | 0.83 | S | S | * | * | | | | 0 | 83.3 | 0 | -67.8 | -69.2 | 160 | 0 | 0 | 109.5 | | |
| 2 | P | 71.7 | Confident | 67.4 | Low | 120 Ų | 120 | 145.5 Ų | 145.5 | 78% | 0.779 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -96 | 126.5 | 165.4 | 32.7 | -24.9 | 0 | 0 | 0 | 110.3 | | |
| 3 | A | 72.1 | Confident | 67.1 | Low | 97 Ų | 97 | 150.9 Ų | 150.9 | 80% | 0.802 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -74.4 | 125.3 | 172.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 4 | I | 77.5 | Confident | 66.3 | Low | 159 Ų | 159 | 145.3 Ų | 145.3 | 82% | 0.815 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -87.7 | 116.9 | 172.6 | -63.6 | 170 | 0 | 0 | 0 | 107.7 | | |
| 5 | V | 73.6 | Confident | 66 | Low | 134 Ų | 134 | 146.7 Ų | 146.7 | 81% | 0.812 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -88.1 | 118.9 | 171.8 | 176.9 | 0 | 0 | 0 | 0 | 108.3 | | |
| 6 | F | 72 | Confident | 65.7 | Low | 187 Ų | 187 | 145.6 Ų | 145.6 | 82% | 0.82 | 83% | 0.829 | S | S | * | * | | | trans | -101.2 | 105.1 | 171.9 | -147.4 | -93.5 | 0 | 0 | 0 | 109.4 | | |
| 7 | C | 57.8 | Low | 65 | Low | 113 Ų | 113 | 144.2 Ų | 144.2 | 76% | 0.764 | 83% | 0.83 | S | S | * | * | | | trans | -95.9 | 123.7 | 166 | -177 | 0 | 0 | 0 | 0 | 107.4 | | |
| 8 | S | 67.9 | Low | 64.6 | Low | 88 Ų | 88 | 142.5 Ų | 142.5 | 62% | 0.615 | 83% | 0.829 | S | S | * | * | | | trans | -169 | 120.4 | 157.7 | -85.9 | 0 | 0 | 0 | 0 | 113 | | |
| 9 | S | 67.5 | Low | 64.3 | Low | 121 Ų | 121 | 140.2 Ų | 140.2 | 85% | 0.846 | 83% | 0.828 | S | S | * | * | | | trans | 73.2 | 106 | 143.2 | -48.4 | 0 | 0 | 0 | 0 | 116.2 | | |
| 10 | G | 57.9 | Low | 64.1 | Low | 83 Ų | 83 | 139.2 Ų | 139.2 | 86% | 0.856 | 82% | 0.823 | S | S | * | * | | | | 103.5 | 84.9 | 52.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | | |
| 11 | K | 68.6 | Low | 63.4 | Low | 191 Ų | 191 | 138.7 Ų | 138.7 | 83% | 0.83 | 82% | 0.822 | S | S | * | * | | | trans | -137.4 | 94.1 | 165.7 | -161.2 | 147.8 | -171.6 | 173.6 | 0 | 110.3 | R13 | K11-R13 PolarHBondContact O-N 2.89Š|
| 12 | K | 66.7 | Low | 63.3 | Low | 212 Ų | 212 | 135.5 Ų | 135.5 | 92% | 0.922 | 80% | 0.804 | S | S | * | * | | | trans | -64.3 | 115.4 | 166.2 | -65 | -172.2 | -179.3 | -175.2 | 0 | 107.8 | | |
| 13 | R | 64.1 | Low | 62.3 | Low | 216 Ų | 216 | 139.8 Ų | 139.8 | 82% | 0.815 | 81% | 0.806 | S | S | * | * | | | trans | -106.1 | 102.6 | 158.8 | -74.4 | -174 | -76.5 | 174 | -2.4 | 106.1 | K11 L15 | K11-R13 PolarHBondContact O-N 2.89Å; R13-L15 PolarHBondContact O-N 3.43Å |
| 14 | G | 55.8 | Low | 61.3 | Low | 72 Ų | 72 | 139.7 Ų | 139.7 | 74% | 0.742 | 80% | 0.799 | S | S | * | * | | | trans | -65 | 115.2 | 169.1 | 0 | 0 | 0 | 0 | 0 | 108.5 | T16 | G14-T16 PolarHBondContact O-N 3.36Š|
| 15 | L | 60.7 | Low | 60.1 | Low | 167 Ų | 167 | 137 Ų | 137 | 87% | 0.874 | 79% | 0.787 | S | S | * | * | | | trans | -80 | 101.3 | 161.4 | -90.6 | 75.9 | 0 | 0 | 0 | 106.4 | R13 | R13-L15 PolarHBondContact O-N 3.43Š|
| 16 | T | 61.3 | Low | 59.3 | Low | 129 Ų | 129 | 140.2 Ų | 140.2 | 79% | 0.791 | 79% | 0.793 | S | S | * | * | | | trans | -104.6 | 108.5 | 161.2 | 56.2 | 0 | 0 | 0 | 0 | 107.1 | G14 S18 | G14-T16 PolarHBondContact O-N 3.36Å; T16-S18 PolarHBondContact O-N 3.25Å |
| 17 | S | 54.9 | Low | 58.4 | Low | 121 Ų | 121 | 139.5 Ų | 139.5 | 85% | 0.846 | 79% | 0.792 | S | S | * | * | | | trans | -60.9 | 103 | 177.6 | 43.9 | 0 | 0 | 0 | 0 | 111.7 | | |
| 18 | S | 58 | Low | 57.6 | Low | 114 Ų | 114 | 137.5 Ų | 137.5 | 80% | 0.797 | 79% | 0.791 | S | S | * | * | | | trans | -104.2 | 81.9 | 162.2 | 53.5 | 0 | 0 | 0 | 0 | 108.7 | T16 | T16-S18 PolarHBondContact O-N 3.25Š|
| 19 | A | 57.4 | Low | 56.2 | Low | 98 Ų | 98 | 137.2 Ų | 137.2 | 81% | 0.81 | 80% | 0.802 | S | S | * | * | | | trans | -99.2 | 79.5 | 167 | 0 | 0 | 0 | 0 | 0 | 107.6 | | |
| 20 | T | 60.7 | Low | 55.5 | Low | 120 Ų | 120 | 140.7 Ų | 140.7 | 74% | 0.736 | 80% | 0.804 | S | S | * | * | | | trans | -128.9 | 100.8 | 171.5 | -65.4 | 0 | 0 | 0 | 0 | 107.9 | | |
| 21 | T | 50 | Low | 55.2 | Low | 130 Ų | 130 | 143.7 Ų | 143.7 | 80% | 0.798 | 80% | 0.796 | S | S | * | * | | | trans | 31.2 | 94.2 | 141.9 | -40.2 | 0 | 0 | 0 | 0 | 117 | | |
| 22 | Q | 52.2 | Low | 54.7 | Low | 173 Ų | 173 | 140.2 Ų | 140.2 | 81% | 0.808 | 78% | 0.783 | S | S | * | * | | | trans | -139.8 | 102.3 | 148.8 | -64.5 | -167.2 | -4.8 | 0 | 0 | 109.3 | S24 | Q22-S24 PolarHBondContact O-N 3.48Å; Q22-S24 PolarHBondContact O-OG 3.37Å |
| 23 | Y | 51 | Low | 54 | Low | 210 Ų | 210 | 135.8 Ų | 135.8 | 82% | 0.824 | 77% | 0.767 | S | S | * | * | | | trans | -52.2 | 114.3 | 161 | -162.6 | -95.9 | 0 | 0 | 0 | 107.2 | D25 | Y23-D25 WeakPolarHBondContact CD1-OD2 3.44Å; Y23-D25 VanDerWaalsContact CE1-OD2 3.27Å; Y23-D25 WeakPolarHBondContact CE1-OD2 3.4Å |
| 24 | S | 51.5 | Low | 53.7 | Low | 95 Ų | 95 | 130.8 Ų | 130.8 | 66% | 0.664 | 77% | 0.765 | S | S | * | * | | | trans | -128.7 | 102.8 | 179.4 | -60 | 0 | 0 | 0 | 0 | 107.6 | Q22 E26 | Q22-S24 PolarHBondContact O-N 3.48Å; Q22-S24 PolarHBondContact O-OG 3.37Å; S24-E26 PolarHBondContact O-N 3.21Å |
| 25 | D | 53.1 | Low | 54.2 | Low | 104 Ų | 104 | 131 Ų | 131 | 56% | 0.556 | 75% | 0.751 | S | S | * | * | | | trans | -64.8 | 117.3 | 170.9 | -71.1 | -85.2 | 0 | 0 | 0 | 109.8 | Y23 E27 | Y23-D25 WeakPolarHBondContact CD1-OD2 3.44Å; Y23-D25 VanDerWaalsContact CE1-OD2 3.27Å; Y23-D25 WeakPolarHBondContact CE1-OD2 3.4Å; D25-E27 VanDerWaalsContact C-N 3.28Å; D25-E27 HydrophobicContact CB-CG 4.21Å; D25-E27 PolarHBondContact O-N 3.33Å |
| 26 | E | 55.9 | Low | 54.8 | Low | 201 Ų | 201 | 132.4 Ų | 132.4 | 94% | 0.939 | 75% | 0.754 | S | S | * | * | | | trans | -81.6 | 77.8 | 172.1 | -65.2 | -163 | 104.6 | 0 | 0 | 109.5 | S24 G28 | S24-E26 PolarHBondContact O-N 3.21Å; E26-G28 PolarHBondContact O-N 3.29Å |
| 27 | E | 53.8 | Low | 55.6 | Low | 172 Ų | 172 | 129.3 Ų | 129.3 | 80% | 0.804 | 75% | 0.747 | S | S | * | * | | | trans | -70.8 | 107.6 | 176.8 | -68.5 | -90.5 | 132.6 | 0 | 0 | 111.4 | D25 | D25-E27 VanDerWaalsContact C-N 3.28Å; D25-E27 HydrophobicContact CB-CG 4.21Å; D25-E27 PolarHBondContact O-N 3.33Å |
| 28 | G | 40.4 | Very low | 57 | Low | 71 Ų | 71 | 124.7 Ų | 124.7 | 73% | 0.732 | 72% | 0.716 | S | S | * | * | | | trans | 48.8 | 85.7 | 134.6 | 0 | 0 | 0 | 0 | 0 | 119.1 | E26 E30 | E26-G28 PolarHBondContact O-N 3.29Å; G28-E30 PolarHBondContact O-N 3.46Å |
| 29 | G | 38.5 | Very low | 58.4 | Low | 82 Ų | 82 | 119.2 Ų | 119.2 | 85% | 0.845 | 68% | 0.678 | S | S | * | * | | | trans | -70.8 | 89.7 | 166.3 | 0 | 0 | 0 | 0 | 0 | 113 | Q31 | G29-Q31 PolarHBondContact O-N 3.22Š|
| 30 | E | 52.7 | Low | 59.4 | Low | 193 Ų | 193 | 123.2 Ų | 123.2 | 90% | 0.902 | 68% | 0.677 | S | S | * | * | | | trans | -87.5 | 83.4 | 173.1 | -158.5 | 152 | 100.4 | 0 | 0 | 110.4 | G28 H32 | G28-E30 PolarHBondContact O-N 3.46Å; E30-H32 PolarHBondContact O-N 3.49Å; E30-H32 VanDerWaalsContact O-N 3.14Å |
| 31 | Q | 52.3 | Low | 60.5 | Low | 146 Ų | 146 | 121.4 Ų | 121.4 | 68% | 0.682 | 66% | 0.659 | S | S | * | * | | | trans | -64.7 | 111.3 | 166.2 | -63.1 | -177.3 | -2.9 | 0 | 0 | 107.6 | G29 M33 | G29-Q31 PolarHBondContact O-N 3.22Å; Q31-M33 HydrophobicContact CB-CG 3.97Å; Q31-M33 PolarHBondContact O-N 3.44Å; Q31-M33 VanDerWaalsContact OE1-CE 3.28Å |
| 32 | H | 57.3 | Low | 62.1 | Low | 119 Ų | 119 | 116.1 Ų | 116.1 | 55% | 0.551 | 63% | 0.627 | S | S | * | * | | | trans | -67.6 | 70.7 | 159.9 | -178.1 | -88.4 | 0 | 0 | 0 | 107.7 | E30 S34 | E30-H32 PolarHBondContact O-N 3.49Å; E30-H32 VanDerWaalsContact O-N 3.14Å; H32-S34 PolarHBondContact O-N 3.1Å; H32-S34 VanDerWaalsContact O-N 3.13Å |
| 33 | M | 52.1 | Low | 63.6 | Low | 118 Ų | 118 | 109.2 Ų | 109.2 | 58% | 0.581 | 60% | 0.602 | S | S | * | * | | | trans | -55.6 | 120.5 | 168.6 | -75.1 | -164.3 | 153.8 | 0 | 0 | 105.6 | Q31 V35 | Q31-M33 HydrophobicContact CB-CG 3.97Å; Q31-M33 PolarHBondContact O-N 3.44Å; Q31-M33 VanDerWaalsContact OE1-CE 3.28Å; M33-V35 HydrophobicContact CB-CG2 3.56Å; M33-V35 PolarHBondContact O-N 3.27Å |
| 34 | S | 59.3 | Low | 65.1 | Low | 111 Ų | 111 | 106.7 Ų | 106.7 | 78% | 0.776 | 59% | 0.593 | S | S | * | * | | | trans | -67.3 | 61.9 | 166.5 | 54.6 | 0 | 0 | 0 | 0 | 109 | H32 Q36 | H32-S34 PolarHBondContact O-N 3.1Å; H32-S34 VanDerWaalsContact O-N 3.13Å; S34-Q36 PolarHBondContact O-N 3.06Å |
| 35 | V | 65.1 | Low | 66.8 | Low | 76 Ų | 76 | 106.8 Ų | 106.8 | 46% | 0.461 | 59% | 0.589 | S | S | . | * | | | trans | -67.5 | 120 | 172.2 | -174 | 0 | 0 | 0 | 0 | 105.5 | M33 G37 A38 | M33-V35 HydrophobicContact CB-CG2 3.56Å; M33-V35 PolarHBondContact O-N 3.27Å; V35-G37 PolarHBondContact O-N 3.4Å; V35-G37 VanDerWaalsContact O-N 3.12Å; V35-A38 WeakPolarHBondContact O-CB 3.37Å; V35-A38 PolarHBondContact O-N 3.1Å; V35-A38 VanDerWaalsContact O-N 3.08Å |
| 36 | Q | 74.4 | Confident | 68.5 | Low | 198 Ų | 198 | 105.5 Ų | 105.5 | 93% | 0.925 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.4 | 123 | 175.9 | -71.4 | -178.4 | -48.8 | 0 | 0 | 108.9 | S34 | S34-Q36 PolarHBondContact O-N 3.06Š|
| 37 | G | 77.5 | Confident | 70.1 | Confident | 63 Ų | 63 | 98 Ų | 98 | 65% | 0.649 | 57% | 0.565 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 101.2 | -0 | -177.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | V35 | V35-G37 PolarHBondContact O-N 3.4Å; V35-G37 VanDerWaalsContact O-N 3.12Å |
| 38 | A | 84.5 | Confident | 71.7 | Confident | 24 Ų | 24 | 94.5 Ų | 94.5 | 20% | 0.198 | 55% | 0.551 | C | S | . | * | B | Isolated β-bridge | trans | -74.1 | 148.8 | 171.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | V35 K40 V45 | V35-A38 WeakPolarHBondContact O-CB 3.37Å; V35-A38 PolarHBondContact O-N 3.1Å; V35-A38 VanDerWaalsContact O-N 3.08Å; A38-K40 PolarHBondContact O-N 3.02Å; A38-V45 HydrophobicContact CB-CG1 4.12Å |
| 39 | C | 85.9 | Confident | 73.8 | Confident | 0 Ų | 0 | 93 Ų | 93 | 0% | 0 | 53% | 0.529 | C | S | . | . | | | trans | -71.7 | 114.9 | 176 | 179.6 | 0 | 0 | 0 | 0 | 111.4 | K41 C42 G43 Y44 H47 C52 | C39-K41 PolarHBondContact O-N 3.24Å; C39-C42 PolarHBondContact O-N 3.32Å; C39-G43 WeakPolarHBondContact O-CA 3.46Å; C39-G43 PolarHBondContact O-N 3.36Å; C39-Y44 VanDerWaalsContact CB-O 3.27Å; C39-Y44 WeakPolarHBondContact CB-O 3.48Å; C39-Y44 PolarHBondContact N-O 3.16Å; C39-H47 WeakPolarHBondContact CB-NE2 3.43Å; C39-H47 WeakPolarHBondContact CB-O 3.44Å; C39-H47 VanDerWaalsContact SG-CD2 3.56Å; C39-H47 PolarHBondContact SG-NE2 3.12Å; C39-C52 VanDerWaalsContact SG-CB 3.57Å |
| 40 | K | 80.3 | Confident | 76.2 | Confident | 181 Ų | 181 | 96.5 Ų | 96.5 | 79% | 0.787 | 52% | 0.521 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -9.4 | 178.3 | -60.3 | -174.8 | 177.4 | -174.8 | 0 | 115.9 | A38 P49 | A38-K40 PolarHBondContact O-N 3.02Å; K40-P49 HydrophobicContact CB-CG 3.99Å; K40-P49 HydrophobicContact CG-CG 4.23Å |
| 41 | K | 83 | Confident | 78 | Confident | 83 Ų | 83 | 92 Ų | 92 | 36% | 0.361 | 50% | 0.5 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.1 | -41.6 | 176.8 | -81.1 | -163.1 | -77 | -91.5 | 0 | 113.2 | C39 P49 C52 L58 | C39-K41 PolarHBondContact O-N 3.24Å; K41-P49 WeakPolarHBondContact CE-O 3.31Å; K41-P49 VanDerWaalsContact NZ-C 3.31Å; K41-P49 PolarHBondContact NZ-O 3.27Å; K41-C52 HydrophobicContact CB-CB 4.35Å; K41-C52 VanDerWaalsContact CE-CB 3.48Å; K41-L58 WeakPolarHBondContact O-CD1 3.15Å; K41-L58 WeakPolarHBondContact O-CG 3.04Å |
| 42 | C | 83.9 | Confident | 79.8 | Confident | 18 Ų | 18 | 86 Ų | 86 | 12% | 0.122 | 47% | 0.474 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -126.3 | 2.2 | -173.4 | 65.4 | 0 | 0 | 0 | 0 | 114.9 | C39 Y44 H47 C52 N54 | C39-C42 PolarHBondContact O-N 3.32Å; C42-Y44 HydrophobicContact CB-CD2 4.25Å; C42-Y44 PolarHBondContact O-N 3.28Å; C42-Y44 VanDerWaalsContact O-N 3.08Å; C42-H47 PolarHBondContact SG-CE1 3.02Å; C42-H47 PolarHBondContact SG-NE2 3.27Å; C42-C52 PolarHBondContact SG-SG 3.19Å; C42-N54 HydrophobicContact CB-CB 4.12Å |
| 43 | G | 82.6 | Confident | 81.2 | Confident | 28 Ų | 28 | 91.6 Ų | 91.6 | 29% | 0.289 | 49% | 0.49 | S | S | . | . | | | trans | 77.8 | -17.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | C39 | C39-G43 WeakPolarHBondContact O-CA 3.46Å; C39-G43 PolarHBondContact O-N 3.36Å |
| 44 | Y | 83.6 | Confident | 82.3 | Confident | 158 Ų | 158 | 90.3 Ų | 90.3 | 62% | 0.62 | 49% | 0.486 | S | S | * | . | | | trans | -69.4 | 137 | -179.9 | -74.9 | -76.7 | 0 | 0 | 0 | 113.3 | C39 C42 | C39-Y44 VanDerWaalsContact CB-O 3.27Å; C39-Y44 WeakPolarHBondContact CB-O 3.48Å; C39-Y44 PolarHBondContact N-O 3.16Å; C42-Y44 HydrophobicContact CB-CD2 4.25Å; C42-Y44 PolarHBondContact O-N 3.28Å; C42-Y44 VanDerWaalsContact O-N 3.08Å |
| 45 | V | 86.4 | Confident | 82.7 | Confident | 96 Ų | 96 | 93.3 Ų | 93.3 | 58% | 0.582 | 49% | 0.492 | S | S | * | . | B | Isolated β-bridge | trans | -72.7 | 160 | 169.8 | -63.2 | 0 | 0 | 0 | 0 | 111.6 | A38 | A38-V45 HydrophobicContact CB-CG1 4.12Å |
| 46 | G | 89.2 | Confident | 82.9 | Confident | 78 Ų | 78 | 93.6 Ų | 93.6 | 80% | 0.804 | 49% | 0.494 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 93.3 | -1.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 47 | H | 88.9 | Confident | 82.3 | Confident | 43 Ų | 43 | 87.2 Ų | 87.2 | 20% | 0.199 | 48% | 0.475 | C | S | . | . | S | Bend | trans | -146.6 | 149.5 | 170.9 | 68.7 | -84 | 0 | 0 | 0 | 113.3 | C39 C42 Q51 C52 | C39-H47 WeakPolarHBondContact CB-NE2 3.43Å; C39-H47 WeakPolarHBondContact CB-O 3.44Å; C39-H47 VanDerWaalsContact SG-CD2 3.56Å; C39-H47 PolarHBondContact SG-NE2 3.12Å; C42-H47 PolarHBondContact SG-CE1 3.02Å; C42-H47 PolarHBondContact SG-NE2 3.27Å; H47-Q51 HydrophobicContact CB-CB 4.16Å; H47-C52 PolarHBondContact NE2-SG 3.42Å; H47-C52 VanDerWaalsContact NE2-SG 3.43Å |
| 48 | L | 87.6 | Confident | 81.6 | Confident | 98 Ų | 98 | 88.6 Ų | 88.6 | 51% | 0.513 | 47% | 0.467 | S | S | . | . | | | trans | -79.7 | 158.8 | 174 | -72.9 | 117.8 | 0 | 0 | 0 | 111 | F50 Q51 C52 | L48-F50 HydrophobicContact CB-CD1 3.51Å; L48-F50 HydrophobicContact CB-CE1 3.25Å; L48-F50 HydrophobicContact CB-CG 4.39Å; L48-F50 HydrophobicContact CB-CZ 3.95Å; L48-F50 HydrophobicContact CD1-CE1 3.65Å; L48-F50 HydrophobicContact CD1-CZ 3.82Å; L48-F50 HydrophobicContact CD2-CD1 4.47Å; L48-F50 HydrophobicContact CD2-CE1 3.87Å; L48-F50 HydrophobicContact CG-CD1 4.41Å; L48-F50 HydrophobicContact CG-CE1 3.75Å; L48-F50 HydrophobicContact CG-CZ 4.38Å; L48-F50 PolarHBondContact O-N 3.47Å; L48-F50 VanDerWaalsContact O-N 3.08Å; L48-Q51 WeakPolarHBondContact O-CB 3.02Å; L48-Q51 PolarHBondContact O-N 3.33Å; L48-C52 PolarHBondContact O-N 3.02Å |
| 49 | P | 85 | Confident | 79.8 | Confident | 39 Ų | 39 | 96.5 Ų | 96.5 | 25% | 0.253 | 50% | 0.497 | S | S | . | . | G | 310 helix | trans | -50.4 | -40.2 | 177 | -28.4 | 35 | 0 | 0 | 0 | 113.1 | K40 K41 Q51 C52 | K40-P49 HydrophobicContact CB-CG 3.99Å; K40-P49 HydrophobicContact CG-CG 4.23Å; K41-P49 WeakPolarHBondContact CE-O 3.31Å; K41-P49 VanDerWaalsContact NZ-C 3.31Å; K41-P49 PolarHBondContact NZ-O 3.27Å; P49-Q51 PolarHBondContact O-N 3.17Å; P49-C52 VanDerWaalsContact O-CB 3.31Å; P49-C52 WeakPolarHBondContact O-CB 3.49Å; P49-C52 PolarHBondContact O-N 2.74Å; P49-C52 VanDerWaalsContact O-N 3.14Å |
| 50 | F | 89.8 | Confident | 78.2 | Confident | 156 Ų | 156 | 102 Ų | 102 | 68% | 0.684 | 53% | 0.526 | S | S | * | . | G | 310 helix | trans | -67.1 | -15.9 | -178.7 | 67.7 | -96.5 | 0 | 0 | 0 | 114.4 | L48 | L48-F50 HydrophobicContact CB-CD1 3.51Å; L48-F50 HydrophobicContact CB-CE1 3.25Å; L48-F50 HydrophobicContact CB-CG 4.39Å; L48-F50 HydrophobicContact CB-CZ 3.95Å; L48-F50 HydrophobicContact CD1-CE1 3.65Å; L48-F50 HydrophobicContact CD1-CZ 3.82Å; L48-F50 HydrophobicContact CD2-CD1 4.47Å; L48-F50 HydrophobicContact CD2-CE1 3.87Å; L48-F50 HydrophobicContact CG-CD1 4.41Å; L48-F50 HydrophobicContact CG-CE1 3.75Å; L48-F50 HydrophobicContact CG-CZ 4.38Å; L48-F50 PolarHBondContact O-N 3.47Å; L48-F50 VanDerWaalsContact O-N 3.08Å |
| 51 | Q | 90.2 | Very high | 76.8 | Confident | 99 Ų | 99 | 102.8 Ų | 102.8 | 46% | 0.463 | 53% | 0.533 | S | S | . | . | G | 310 helix | trans | -95.4 | -13.7 | 177.2 | -60.3 | 174.8 | -9.5 | 0 | 0 | 112.5 | H47 L48 P49 R53 | H47-Q51 HydrophobicContact CB-CB 4.16Å; L48-Q51 WeakPolarHBondContact O-CB 3.02Å; L48-Q51 PolarHBondContact O-N 3.33Å; P49-Q51 PolarHBondContact O-N 3.17Å; Q51-R53 PolarHBondContact O-N 3.42Å |
| 52 | C | 89 | Confident | 75.3 | Confident | 20 Ų | 20 | 107.7 Ų | 107.7 | 14% | 0.135 | 55% | 0.554 | C | S | . | * | | | trans | -65.6 | 119.5 | -175.2 | -168.4 | 0 | 0 | 0 | 0 | 110.8 | C39 K41 C42 H47 L48 P49 N54 | C39-C52 VanDerWaalsContact SG-CB 3.57Å; K41-C52 HydrophobicContact CB-CB 4.35Å; K41-C52 VanDerWaalsContact CE-CB 3.48Å; C42-C52 PolarHBondContact SG-SG 3.19Å; H47-C52 PolarHBondContact NE2-SG 3.42Å; H47-C52 VanDerWaalsContact NE2-SG 3.43Å; L48-C52 PolarHBondContact O-N 3.02Å; P49-C52 VanDerWaalsContact O-CB 3.31Å; P49-C52 WeakPolarHBondContact O-CB 3.49Å; P49-C52 PolarHBondContact O-N 2.74Å; P49-C52 VanDerWaalsContact O-N 3.14Å; C52-N54 PolarHBondContact SG-O 3.38Å |
| 53 | R | 87.7 | Confident | 73.7 | Confident | 236 Ų | 236 | 114 Ų | 114 | 89% | 0.891 | 59% | 0.586 | S | S | * | * | | | trans | -93.1 | -9.3 | 173.7 | -62.7 | 179.8 | -175.3 | 161.8 | 2.6 | 112.6 | Q51 L55 | Q51-R53 PolarHBondContact O-N 3.42Å; R53-L55 PolarHBondContact O-N 3.25Å |
| 54 | N | 74.2 | Confident | 72.3 | Confident | 91 Ų | 91 | 117.4 Ų | 117.4 | 49% | 0.487 | 60% | 0.601 | S | S | . | * | | | trans | -79.6 | 115.2 | 173.8 | -95.7 | -16.4 | 0 | 0 | 0 | 109.3 | C42 C52 V56 | C42-N54 HydrophobicContact CB-CB 4.12Å; C52-N54 PolarHBondContact SG-O 3.38Å; N54-V56 PolarHBondContact O-N 3.4Å; N54-V56 VanDerWaalsContact O-N 3.14Å |
| 55 | L | 67.2 | Low | 71.2 | Confident | 174 Ų | 174 | 116.1 Ų | 116.1 | 91% | 0.911 | 61% | 0.61 | S | S | * | * | | | trans | -77.2 | 14.5 | 178.3 | -64.2 | 173.4 | 0 | 0 | 0 | 112.9 | R53 A57 | R53-L55 PolarHBondContact O-N 3.25Å; L55-A57 PolarHBondContact O-N 3.21Å |
| 56 | V | 69.5 | Low | 69.9 | Low | 82 Ų | 82 | 117.9 Ų | 117.9 | 50% | 0.497 | 62% | 0.615 | S | S | . | * | | | trans | -68 | 103.4 | 175 | -177.1 | 0 | 0 | 0 | 0 | 106.5 | N54 L58 | N54-V56 PolarHBondContact O-N 3.4Å; N54-V56 VanDerWaalsContact O-N 3.14Å; V56-L58 PolarHBondContact O-N 3.19Å |
| 57 | A | 62.9 | Low | 68.6 | Low | 64 Ų | 64 | 120.3 Ų | 120.3 | 53% | 0.529 | 61% | 0.61 | S | S | . | * | | | trans | -74.6 | 109.3 | 162 | 0 | 0 | 0 | 0 | 0 | 105.8 | L55 K59 | L55-A57 PolarHBondContact O-N 3.21Å; A57-K59 PolarHBondContact O-N 2.86Å |
| 58 | L | 62.3 | Low | 67 | Low | 93 Ų | 93 | 124.5 Ų | 124.5 | 49% | 0.487 | 64% | 0.638 | S | S | . | * | S | Bend | trans | -63.1 | 32.2 | 168 | -82.6 | 163.3 | 0 | 0 | 0 | 112.9 | K41 V56 | K41-L58 WeakPolarHBondContact O-CD1 3.15Å; K41-L58 WeakPolarHBondContact O-CG 3.04Å; V56-L58 PolarHBondContact O-N 3.19Å |
| 59 | K | 45.9 | Very low | 65.3 | Low | 190 Ų | 190 | 124.3 Ų | 124.3 | 83% | 0.826 | 65% | 0.645 | S | S | * | * | | | trans | -119.8 | 29.3 | -172.5 | -111 | -175.8 | 179.5 | 179.4 | 0 | 113.2 | A57 | A57-K59 PolarHBondContact O-N 2.86Š|
| 60 | N | 52.9 | Low | 63.5 | Low | 114 Ų | 114 | 127.6 Ų | 127.6 | 61% | 0.61 | 67% | 0.669 | S | S | * | * | | | trans | -136.2 | 29.8 | 179.2 | -67 | 57.2 | 0 | 0 | 0 | 114 | K62 | N60-K62 PolarHBondContact O-N 3.41Š|
| 61 | Q | 51.1 | Low | 62.1 | Low | 198 Ų | 198 | 127 Ų | 127 | 93% | 0.925 | 68% | 0.678 | S | S | * | * | | | trans | -73.1 | 41.2 | 162.8 | -70.7 | -157.5 | -24.1 | 0 | 0 | 112.5 | | |
| 62 | K | 52.3 | Low | 60.1 | Low | 187 Ų | 187 | 127.9 Ų | 127.9 | 81% | 0.813 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -143.8 | 97 | 169 | -55.1 | -177.6 | -170.3 | -171.9 | 0 | 104.1 | N60 | N60-K62 PolarHBondContact O-N 3.41Š|
| 63 | D | 49.4 | Very low | 58.2 | Low | 149 Ų | 149 | 132 Ų | 132 | 80% | 0.797 | 73% | 0.725 | S | S | * | * | S | Bend | trans | 79.9 | 66.5 | 157.3 | -147 | 15 | 0 | 0 | 0 | 118.1 | | |
| 64 | V | 53.3 | Low | 56.3 | Low | 100 Ų | 100 | 129.9 Ų | 129.9 | 61% | 0.606 | 73% | 0.725 | S | S | * | * | | | trans | -136 | 84.1 | 145 | -175 | 0 | 0 | 0 | 0 | 107.9 | L66 | V64-L66 VanDerWaalsContact C-N 3.33Å; V64-L66 HydrophobicContact CG1-CB 4.46Å; V64-L66 HydrophobicContact CG1-CD1 3.45Å; V64-L66 VanDerWaalsContact CG1-CD1 3.45Å; V64-L66 HydrophobicContact CG1-CG 3.56Å; V64-L66 PolarHBondContact O-N 3.14Å |
| 65 | V | 59.6 | Low | 55.1 | Low | 131 Ų | 131 | 130.9 Ų | 130.9 | 79% | 0.794 | 74% | 0.739 | S | S | * | * | | | trans | -77.9 | 91.6 | 159.9 | -178 | 0 | 0 | 0 | 0 | 106.1 | D67 | V65-D67 VanDerWaalsContact C-N 3.35Å; V65-D67 PolarHBondContact O-N 2.62Å |
| 66 | L | 60.4 | Low | 54.3 | Low | 134 Ų | 134 | 127.3 Ų | 127.3 | 70% | 0.702 | 73% | 0.728 | S | S | * | * | | | trans | -76.2 | 94.8 | 163.8 | -82.1 | 142.9 | 0 | 0 | 0 | 106.4 | V64 V68 | V64-L66 VanDerWaalsContact C-N 3.33Å; V64-L66 HydrophobicContact CG1-CB 4.46Å; V64-L66 HydrophobicContact CG1-CD1 3.45Å; V64-L66 VanDerWaalsContact CG1-CD1 3.45Å; V64-L66 HydrophobicContact CG1-CG 3.56Å; V64-L66 PolarHBondContact O-N 3.14Å; L66-V68 VanDerWaalsContact C-N 3.34Å; L66-V68 PolarHBondContact O-N 3.17Å |
| 67 | D | 60.9 | Low | 53.2 | Low | 129 Ų | 129 | 129.7 Ų | 129.7 | 69% | 0.69 | 75% | 0.745 | S | S | * | * | | | trans | -66.5 | 95.4 | 166.3 | 175.6 | 24.3 | 0 | 0 | 0 | 108.5 | V65 S69 | V65-D67 VanDerWaalsContact C-N 3.35Å; V65-D67 PolarHBondContact O-N 2.62Å; D67-S69 WeakPolarHBondContact OD1-CB 3.44Å; D67-S69 PolarHBondContact OD1-OG 2.91Å |
| 68 | V | 56.6 | Low | 52.1 | Low | 130 Ų | 130 | 131.6 Ų | 131.6 | 79% | 0.788 | 76% | 0.755 | S | S | * | * | | | trans | -105.5 | 64.2 | 176.3 | -83.2 | 0 | 0 | 0 | 0 | 109.3 | L66 | L66-V68 VanDerWaalsContact C-N 3.34Å; L66-V68 PolarHBondContact O-N 3.17Å |
| 69 | S | 51.9 | Low | 51.2 | Low | 94 Ų | 94 | 132.9 Ų | 132.9 | 66% | 0.657 | 77% | 0.771 | S | S | * | * | | | trans | -101.9 | -7.2 | 178.5 | -54.5 | 0 | 0 | 0 | 0 | 114.4 | D67 | D67-S69 WeakPolarHBondContact OD1-CB 3.44Å; D67-S69 PolarHBondContact OD1-OG 2.91Å |
| 70 | S | 47.2 | Very low | 50.6 | Low | 108 Ų | 108 | 128.9 Ų | 128.9 | 76% | 0.755 | 77% | 0.766 | S | S | * | * | S | Bend | trans | -154.5 | 69.3 | -164.4 | -59.1 | 0 | 0 | 0 | 0 | 114.4 | | |
| 71 | T | 58.5 | Low | 50 | Low | 143 Ų | 143 | 134.6 Ų | 134.6 | 88% | 0.877 | 79% | 0.786 | S | S | * | * | | | trans | -158.4 | 84.9 | 149.9 | -107.7 | 0 | 0 | 0 | 0 | 110 | | |
| 72 | S | 48.9 | Very low | 49.2 | Very low | 119 Ų | 119 | 128.8 Ų | 128.8 | 83% | 0.832 | 77% | 0.772 | S | S | * | * | | | trans | -61.8 | 139.5 | 162 | -63.8 | 0 | 0 | 0 | 0 | 110 | | |
| 73 | S | 50.2 | Low | 48.3 | Very low | 107 Ų | 107 | 125.2 Ų | 125.2 | 75% | 0.748 | 77% | 0.771 | S | S | * | * | | | trans | -18.9 | 149.3 | 164.1 | -57.1 | 0 | 0 | 0 | 0 | 118.3 | | |
| 74 | E | 47.1 | Very low | 47.9 | Very low | 191 Ų | 191 | 123 Ų | 123 | 89% | 0.893 | 77% | 0.767 | S | S | * | * | | | trans | 126.5 | 130.1 | 140 | -61.8 | -168.2 | 100 | 0 | 0 | 115.3 | | |
| 75 | S | 48.6 | Very low | 47.1 | Very low | 111 Ų | 111 | 123.7 Ų | 123.7 | 78% | 0.776 | 78% | 0.776 | S | S | * | * | | | trans | 88.1 | 90.8 | 157.9 | -152.5 | 0 | 0 | 0 | 0 | 119.7 | | |
| 76 | S | 50.4 | Low | 46.1 | Very low | 99 Ų | 99 | 123.4 Ų | 123.4 | 69% | 0.692 | 78% | 0.78 | S | S | * | * | | | | 138.7 | 139.8 | 108 | 67.5 | 0 | 0 | 0 | 0 | 114.7 | S78 | S76-S78 PolarHBondContact O-N 3.08Š|
| 77 | P | 47.1 | Very low | 45.2 | Very low | 132 Ų | 132 | 127.3 Ų | 127.3 | 86% | 0.857 | 79% | 0.791 | S | S | * | * | | | trans | -93 | 99.2 | -162.9 | 35.2 | -31 | 0 | 0 | 0 | 111.6 | | |
| 78 | S | 40.5 | Very low | 44.4 | Very low | 104 Ų | 104 | 126.1 Ų | 126.1 | 73% | 0.727 | 79% | 0.793 | S | S | * | * | | | trans | -157.8 | 103.1 | 166.2 | 59.9 | 0 | 0 | 0 | 0 | 111.5 | S76 | S76-S78 PolarHBondContact O-N 3.08Š|
| 79 | C | 41.4 | Very low | 44.1 | Very low | 121 Ų | 121 | 130.3 Ų | 130.3 | 82% | 0.818 | 80% | 0.801 | S | S | * | * | S | Bend | trans | 167.9 | 95.1 | 139.9 | -98.8 | 0 | 0 | 0 | 0 | 110 | | |
| 80 | S | 34.9 | Very low | 43.9 | Very low | 105 Ų | 105 | 138.1 Ų | 138.1 | 73% | 0.734 | 82% | 0.816 | S | S | * | * | | | trans | 51.9 | 78.7 | 135.3 | -49 | 0 | 0 | 0 | 0 | 117.4 | A82 | S80-A82 PolarHBondContact O-N 3.42Š|
| 81 | F | 39.3 | Very low | 44.1 | Very low | 234 Ų | 234 | 140.7 Ų | 140.7 | 100% | 1.026 | 82% | 0.816 | S | S | * | * | | | trans | -68 | 76.3 | 150.5 | -112.9 | -85.6 | 0 | 0 | 0 | 108.6 | | |
| 82 | A | 35.1 | Very low | 44 | Very low | 76 Ų | 76 | 145.5 Ų | 145.5 | 63% | 0.628 | 82% | 0.818 | S | S | * | * | | | trans | -138.9 | 114.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | S80 | S80-A82 PolarHBondContact O-N 3.42Š|
| 83 | S | 33.9 | Very low | 44.1 | Very low | 113 Ų | 113 | 150.5 Ų | 150.5 | 79% | 0.79 | 82% | 0.82 | S | S | * | * | | | trans | 68.8 | 106.7 | 147.9 | 157.4 | 0 | 0 | 0 | 0 | 117.3 | | |
| 84 | S | 40.5 | Very low | 44.2 | Very low | 103 Ų | 103 | 147.6 Ų | 147.6 | 72% | 0.72 | 81% | 0.807 | S | S | * | * | | | | 162.5 | 102.6 | 118.7 | 52.1 | 0 | 0 | 0 | 0 | 111.3 | | |
| 85 | S | 35.2 | Very low | 44.7 | Very low | 114 Ų | 114 | 146.7 Ų | 146.7 | 80% | 0.797 | 80% | 0.8 | S | S | * | * | | | | 68 | 99.7 | 117 | 80.8 | 0 | 0 | 0 | 0 | 117 | | |
| 86 | S | 40.2 | Very low | 45.3 | Very low | 125 Ų | 125 | 149.3 Ų | 149.3 | 87% | 0.874 | 80% | 0.8 | S | S | * | * | | | trans | -156.2 | 51.7 | 145 | 42.7 | 0 | 0 | 0 | 0 | 112.2 | S88 | S86-S88 PolarHBondContact O-N 2.92Š|
| 87 | K | 41.8 | Very low | 45.8 | Very low | 215 Ų | 215 | 152.6 Ų | 152.6 | 94% | 0.935 | 80% | 0.802 | S | S | * | * | | | trans | -64.7 | 101.8 | 150.9 | -78.1 | 172.7 | 177.2 | 165.5 | 0 | 107.4 | | |
| 88 | S | 42.9 | Very low | 46.6 | Very low | 105 Ų | 105 | 154.2 Ų | 154.2 | 73% | 0.734 | 80% | 0.795 | S | S | * | * | | | trans | 172.5 | 84.7 | 150.4 | -174.5 | 0 | 0 | 0 | 0 | 113.1 | S86 | S86-S88 PolarHBondContact O-N 2.92Š|
| 89 | K | 50.3 | Low | 48 | Very low | 218 Ų | 218 | 157.4 Ų | 157.4 | 95% | 0.948 | 80% | 0.796 | S | S | * | * | S | Bend | trans | -144.1 | 19.1 | 157.2 | -71.8 | -164.7 | -178.3 | 166.8 | 0 | 115.3 | | |
| 90 | R | 48.9 | Very low | 49.4 | Very low | 257 Ų | 257 | 159.1 Ų | 159.1 | 97% | 0.97 | 79% | 0.79 | S | S | * | * | S | Bend | trans | -106 | 18.7 | -178.1 | -84.9 | -172.6 | 173 | 180 | -1 | 116 | | |
| 91 | H | 50.2 | Low | 51.4 | Low | 162 Ų | 162 | 160 Ų | 160 | 75% | 0.75 | 78% | 0.782 | S | S | * | * | | | trans | -112.6 | 8.6 | -166.4 | -133.5 | -77.6 | 0 | 0 | 0 | 117.7 | | |
| 92 | R | 55.8 | Low | 53.1 | Low | 244 Ų | 244 | 153 Ų | 153 | 92% | 0.921 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -92.4 | -18 | -174.2 | -129.7 | 177.3 | -174.5 | -178.4 | 1.1 | 116.1 | | |
| 93 | Y | 52.7 | Low | 55.1 | Low | 225 Ų | 225 | 156.1 Ų | 156.1 | 88% | 0.882 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -93.4 | -12.5 | -177.2 | -153.5 | -104.7 | 0 | 0 | 0 | 114.7 | | |
| 94 | G | 52 | Low | 57.2 | Low | 46 Ų | 46 | 154.3 Ų | 154.3 | 47% | 0.474 | 73% | 0.734 | S | S | . | * | H | α-helix | trans | -88.2 | -15.7 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 95 | K | 58.1 | Low | 59.2 | Low | 171 Ų | 171 | 154.7 Ų | 154.7 | 74% | 0.743 | 73% | 0.727 | S | S | * | * | H | α-helix | trans | -78.2 | -28.7 | -170 | -131.4 | 175.1 | -175.5 | 178.5 | 0 | 113.2 | K99 | K95-K99 PolarHBondContact O-N 3.22Å |
| 96 | E | 59.9 | Low | 61.2 | Low | 166 Ų | 166 | 155.8 Ų | 155.8 | 78% | 0.776 | 72% | 0.718 | S | S | * | * | H | α-helix | trans | -76.5 | -41.9 | 177.2 | -79.4 | -170.9 | 90.1 | 0 | 0 | 113.1 | K98 K99 K100 | E96-K98 VanDerWaalsContact C-N 3.34Å; E96-K98 PolarHBondContact O-N 3.14Å; E96-K99 PolarHBondContact O-N 3.43Å; E96-K100 PolarHBondContact O-N 3.49Å |
| 97 | K | 61.9 | Low | 63 | Low | 168 Ų | 168 | 155.1 Ų | 155.1 | 73% | 0.73 | 70% | 0.699 | S | S | * | * | H | α-helix | trans | -61.7 | -42.3 | 178.9 | -162.7 | 175.9 | -178.8 | -179.6 | 0 | 111.6 | K99 K100 E101 | K97-K99 VanDerWaalsContact C-N 3.34Å; K97-K99 PolarHBondContact O-N 3.43Å; K97-K100 PolarHBondContact O-N 3.45Å; K97-E101 PolarHBondContact O-N 2.75Å |
| 98 | K | 62.7 | Low | 64.7 | Low | 167 Ų | 167 | 151.3 Ų | 151.3 | 73% | 0.726 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -68.4 | -28.8 | 178.8 | -140.1 | 170.9 | -172.4 | 175.8 | 0 | 113.2 | E96 N102 | E96-K98 VanDerWaalsContact C-N 3.34Å; E96-K98 PolarHBondContact O-N 3.14Å; K98-N102 PolarHBondContact O-N 3.34Å |
| 99 | K | 69.5 | Low | 66.3 | Low | 171 Ų | 171 | 152.4 Ų | 152.4 | 74% | 0.743 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -73.8 | -35 | 176.1 | -165.6 | 176.7 | -179.6 | -176.6 | 0 | 112 | K95 E96 K97 K103 | K95-K99 PolarHBondContact O-N 3.22Å; E96-K99 PolarHBondContact O-N 3.43Å; K97-K99 VanDerWaalsContact C-N 3.34Å; K97-K99 PolarHBondContact O-N 3.43Å; K99-K103 PolarHBondContact O-N 3.31Å |
| 100 | K | 72.1 | Confident | 67.5 | Low | 156 Ų | 156 | 149.5 Ų | 149.5 | 68% | 0.678 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -68.3 | -45 | 176.6 | -165.6 | 172.9 | -179.8 | 179.9 | 0 | 111.5 | E96 K97 N102 K103 E104 | E96-K100 PolarHBondContact O-N 3.49Å; K97-K100 PolarHBondContact O-N 3.45Å; K100-N102 PolarHBondContact O-N 2.84Å; K100-K103 PolarHBondContact O-N 3.26Å; K100-K103 VanDerWaalsContact O-N 3.16Å; K100-E104 PolarHBondContact O-N 3.23Å; K100-E104 VanDerWaalsContact O-N 3.17Å |
| 101 | E | 75.5 | Confident | 68.6 | Low | 124 Ų | 124 | 142 Ų | 142 | 58% | 0.579 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -62.5 | -43.1 | -180 | -159.4 | 178.1 | 100.7 | 0 | 0 | 112.8 | K97 K103 E104 L105 | K97-E101 PolarHBondContact O-N 2.75Å; E101-K103 VanDerWaalsContact C-N 3.3Å; E101-K103 PolarHBondContact O-N 2.8Å; E101-E104 PolarHBondContact O-N 3.26Å; E101-L105 WeakPolarHBondContact O-CG 3.27Å; E101-L105 PolarHBondContact O-N 3.21Å |
| 102 | N | 76 | Confident | 69.7 | Low | 88 Ų | 88 | 137.3 Ų | 137.3 | 47% | 0.471 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -65.1 | -32.2 | 176.2 | -165.1 | -17.3 | 0 | 0 | 0 | 112.3 | K98 K100 K106 | K98-N102 PolarHBondContact O-N 3.34Å; K100-N102 PolarHBondContact O-N 2.84Å; N102-K106 WeakPolarHBondContact O-CG 3.37Å; N102-K106 PolarHBondContact O-N 2.91Å; N102-K106 VanDerWaalsContact O-N 3.12Å; N102-K106 WeakPolarHBondContact OD1-CE 3.38Å |
| 103 | K | 76.6 | Confident | 70.2 | Confident | 141 Ų | 141 | 133.5 Ų | 133.5 | 61% | 0.613 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -68.6 | -39 | 176.6 | -162.9 | 174.9 | -177.2 | -179 | 0 | 111.6 | K99 K100 E101 K107 | K99-K103 PolarHBondContact O-N 3.31Å; K100-K103 PolarHBondContact O-N 3.26Å; K100-K103 VanDerWaalsContact O-N 3.16Å; E101-K103 VanDerWaalsContact C-N 3.3Å; E101-K103 PolarHBondContact O-N 2.8Å; K103-K107 WeakPolarHBondContact O-CG 3.45Å; K103-K107 PolarHBondContact O-N 2.99Å |
| 104 | E | 79.4 | Confident | 71 | Confident | 74 Ų | 74 | 131 Ų | 131 | 35% | 0.346 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -69.7 | -44.1 | 176.6 | -63 | -54.1 | 110.8 | 0 | 0 | 111.6 | K100 E101 K106 K107 H108 | K100-E104 PolarHBondContact O-N 3.23Å; K100-E104 VanDerWaalsContact O-N 3.17Å; E101-E104 PolarHBondContact O-N 3.26Å; E104-K106 VanDerWaalsContact C-N 3.29Å; E104-K106 PolarHBondContact O-N 2.7Å; E104-K107 WeakPolarHBondContact O-CB 3.39Å; E104-K107 PolarHBondContact O-N 3.13Å; E104-K107 WeakPolarHBondContact OE1-CE 3.27Å; E104-K107 IonicContact OE1-NZ 2.74Å; E104-K107 PolarHBondContact OE1-NZ 3.08Å; E104-K107 IonicContact OE2-NZ 3.77Å; E104-H108 PolarHBondContact O-CD2 3.17Å; E104-H108 VanDerWaalsContact O-CD2 3.27Å; E104-H108 PolarHBondContact O-N 3.35Å |
| 105 | L | 81.4 | Confident | 71.7 | Confident | 111 Ų | 111 | 138.1 Ų | 138.1 | 58% | 0.581 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -57.4 | -40.1 | 174.8 | -73 | 166.2 | 0 | 0 | 0 | 112.6 | E101 K107 H108 K109 | E101-L105 WeakPolarHBondContact O-CG 3.27Å; E101-L105 PolarHBondContact O-N 3.21Å; L105-K107 PolarHBondContact O-N 3.12Å; L105-H108 PolarHBondContact O-N 2.86Å; L105-K109 PolarHBondContact O-N 3.08Å; L105-K109 VanDerWaalsContact O-N 3.1Å |
| 106 | K | 78.2 | Confident | 71.9 | Confident | 137 Ų | 137 | 134.6 Ų | 134.6 | 60% | 0.596 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -66.3 | -33.1 | 175.3 | -75.8 | -177.3 | -178.9 | -174 | 0 | 113.1 | N102 E104 K110 | N102-K106 WeakPolarHBondContact O-CG 3.37Å; N102-K106 PolarHBondContact O-N 2.91Å; N102-K106 VanDerWaalsContact O-N 3.12Å; N102-K106 WeakPolarHBondContact OD1-CE 3.38Å; E104-K106 VanDerWaalsContact C-N 3.29Å; E104-K106 PolarHBondContact O-N 2.7Å; K106-K110 PolarHBondContact O-N 3.28Å |
| 107 | K | 78.2 | Confident | 71.7 | Confident | 112 Ų | 112 | 134.5 Ų | 134.5 | 49% | 0.487 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -68.9 | -46.3 | 174.7 | -71.2 | 173 | -178.4 | 171.4 | 0 | 111.1 | K103 E104 L105 K109 K110 H111 | K103-K107 WeakPolarHBondContact O-CG 3.45Å; K103-K107 PolarHBondContact O-N 2.99Å; E104-K107 WeakPolarHBondContact O-CB 3.39Å; E104-K107 PolarHBondContact O-N 3.13Å; E104-K107 WeakPolarHBondContact OE1-CE 3.27Å; E104-K107 IonicContact OE1-NZ 2.74Å; E104-K107 PolarHBondContact OE1-NZ 3.08Å; E104-K107 IonicContact OE2-NZ 3.77Å; L105-K107 PolarHBondContact O-N 3.12Å; K107-K109 VanDerWaalsContact C-N 3.34Å; K107-K109 PolarHBondContact O-N 2.7Å; K107-K110 PolarHBondContact O-N 2.69Å; K107-H111 PolarHBondContact O-N 3.19Å; K107-H111 VanDerWaalsContact O-N 3.1Å |
| 108 | H | 76.2 | Confident | 72.2 | Confident | 134 Ų | 134 | 132.9 Ų | 132.9 | 62% | 0.62 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -60.4 | -41.6 | 178.4 | -79.3 | -79.3 | 0 | 0 | 0 | 112.4 | E104 L105 K110 H111 S112 | E104-H108 PolarHBondContact O-CD2 3.17Å; E104-H108 VanDerWaalsContact O-CD2 3.27Å; E104-H108 PolarHBondContact O-N 3.35Å; L105-H108 PolarHBondContact O-N 2.86Å; H108-K110 PolarHBondContact O-N 3.14Å; H108-H111 PolarHBondContact O-N 3.02Å; H108-S112 PolarHBondContact O-N 3.4Å |
| 109 | K | 77.2 | Confident | 72.7 | Confident | 129 Ų | 129 | 131.1 Ų | 131.1 | 56% | 0.561 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -68.9 | -29.5 | 178.2 | -165.2 | 170.8 | -176.3 | 174.2 | 0 | 113.8 | L105 K107 S112 R113 | L105-K109 PolarHBondContact O-N 3.08Å; L105-K109 VanDerWaalsContact O-N 3.1Å; K107-K109 VanDerWaalsContact C-N 3.34Å; K107-K109 PolarHBondContact O-N 2.7Å; K109-S112 PolarHBondContact O-OG 3.4Å; K109-R113 WeakPolarHBondContact O-CG 3.43Å |
| 110 | K | 74.9 | Confident | 72.9 | Confident | 156 Ų | 156 | 128.8 Ų | 128.8 | 68% | 0.678 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -71.6 | -37.4 | 172.8 | -79.6 | -175.9 | 175.2 | -170.8 | 0 | 111.7 | K106 K107 H108 | K106-K110 PolarHBondContact O-N 3.28Å; K107-K110 PolarHBondContact O-N 2.69Å; H108-K110 PolarHBondContact O-N 3.14Å |
| 111 | H | 72.2 | Confident | 72.9 | Confident | 99 Ų | 99 | 127.2 Ų | 127.2 | 46% | 0.458 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -72.6 | -36.2 | -179.5 | -172.1 | -103.2 | 0 | 0 | 0 | 112.8 | K107 H108 R113 K114 R115 | K107-H111 PolarHBondContact O-N 3.19Å; K107-H111 VanDerWaalsContact O-N 3.1Å; H108-H111 PolarHBondContact O-N 3.02Å; H111-R113 PolarHBondContact O-N 3.24Å; H111-K114 PolarHBondContact O-N 3.43Å; H111-R115 PolarHBondContact CE1-NE 3.06Å; H111-R115 VanDerWaalsContact CE1-NE 3.33Å; H111-R115 PolarHBondContact CE1-NH2 3.27Å |
| 112 | S | 72.4 | Confident | 72.8 | Confident | 65 Ų | 65 | 127.4 Ų | 127.4 | 46% | 0.455 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -65.6 | -36.8 | 176.6 | 64.7 | 0 | 0 | 0 | 0 | 113 | H108 K109 K114 R115 S116 | H108-S112 PolarHBondContact O-N 3.4Å; K109-S112 PolarHBondContact O-OG 3.4Å; S112-K114 VanDerWaalsContact C-N 3.32Å; S112-K114 PolarHBondContact O-N 3.19Å; S112-R115 PolarHBondContact O-N 3.3Å; S112-S116 PolarHBondContact O-OG 3.27Å |
| 113 | R | 67.1 | Low | 72.5 | Confident | 163 Ų | 163 | 130.1 Ų | 130.1 | 62% | 0.615 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -67.8 | -27 | 177.5 | -72.3 | 177.5 | 175.3 | 177.8 | -5.6 | 114.1 | K109 H111 R115 | K109-R113 WeakPolarHBondContact O-CG 3.43Å; H111-R113 PolarHBondContact O-N 3.24Å; R113-R115 VanDerWaalsContact C-N 3.32Å |
| 114 | K | 69.9 | Low | 72.3 | Confident | 173 Ų | 173 | 129.3 Ų | 129.3 | 75% | 0.752 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -78.8 | -14.5 | 176.1 | -70.4 | -171.6 | 176.5 | -164.8 | 0 | 113.6 | H111 S112 | H111-K114 PolarHBondContact O-N 3.43Å; S112-K114 VanDerWaalsContact C-N 3.32Å; S112-K114 PolarHBondContact O-N 3.19Å |
| 115 | R | 65.4 | Low | 71.7 | Confident | 196 Ų | 196 | 133.5 Ų | 133.5 | 74% | 0.74 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.3 | -2.5 | 178.5 | -74.4 | -176.2 | 170.7 | 176.9 | -6.3 | 113.5 | H111 S112 R113 | H111-R115 PolarHBondContact CE1-NE 3.06Å; H111-R115 VanDerWaalsContact CE1-NE 3.33Å; H111-R115 PolarHBondContact CE1-NH2 3.27Å; S112-R115 PolarHBondContact O-N 3.3Å; R113-R115 VanDerWaalsContact C-N 3.32Å |
| 116 | S | 63.3 | Low | 70.9 | Confident | 97 Ų | 97 | 135.4 Ų | 135.4 | 68% | 0.678 | 65% | 0.649 | S | S | * | * | | | trans | -116.7 | 16.9 | -176.2 | 26.7 | 0 | 0 | 0 | 0 | 112.8 | S112 | S112-S116 PolarHBondContact O-OG 3.27Š|
| 117 | S | 56.1 | Low | 70.2 | Confident | 164 Ų | 164 | 135.3 Ų | 135.3 | 100% | 1.147 | 65% | 0.654 | S | S | * | * | | | trans | -120.9 | 0 | 167.7 | -56 | 0 | 0 | 0 | 0 | 108.2 | | |