| 1 | M | 42.4 | Very low | 67.6 | Low | 241 Ų | 241 | 133.7 Ų | 133.7 | 100% | 1.187 | 70% | 0.703 | S | S | * | * | | | | 0 | 95.7 | 0 | -73.3 | 165.1 | 86.7 | 0 | 0 | 108.3 | Q3 | M1-Q3 PolarHBondContact O-N 3.41Š|
| 2 | T | 52.2 | Low | 69.3 | Low | 150 Ų | 150 | 129.5 Ų | 129.5 | 92% | 0.92 | 68% | 0.676 | S | S | * | * | | | trans | -83.6 | 99.4 | 179.7 | 35.1 | 0 | 0 | 0 | 0 | 109.2 | G4 | T2-G4 PolarHBondContact O-N 3.12Š|
| 3 | Q | 59.8 | Low | 70.9 | Confident | 164 Ų | 164 | 128.2 Ų | 128.2 | 77% | 0.766 | 67% | 0.67 | S | S | * | * | | | trans | -61.3 | 114 | -175.2 | -176.7 | -179.3 | -1.8 | 0 | 0 | 112.4 | M1 K5 | M1-Q3 PolarHBondContact O-N 3.41Å; Q3-K5 WeakPolarHBondContact O-CG 3.4Å; Q3-K5 PolarHBondContact O-N 3.32Å |
| 4 | G | 61.6 | Low | 72 | Confident | 51 Ų | 51 | 123.1 Ų | 123.1 | 53% | 0.526 | 66% | 0.655 | S | S | . | * | S | Bend | trans | 58.7 | -11.3 | 133 | 0 | 0 | 0 | 0 | 0 | 122 | T2 G6 L7 | T2-G4 PolarHBondContact O-N 3.12Å; G4-G6 VanDerWaalsContact C-N 3.32Å; G4-G6 PolarHBondContact O-N 3.24Å; G4-L7 PolarHBondContact O-N 3.27Å |
| 5 | K | 62 | Low | 73.1 | Confident | 169 Ų | 169 | 121.6 Ų | 121.6 | 74% | 0.735 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -71.2 | -26.2 | -170.1 | -67.5 | 170.6 | -173.1 | -170.8 | 0 | 113.5 | Q3 | Q3-K5 WeakPolarHBondContact O-CG 3.4Å; Q3-K5 PolarHBondContact O-N 3.32Å |
| 6 | G | 65.3 | Low | 74 | Confident | 45 Ų | 45 | 122.6 Ų | 122.6 | 46% | 0.464 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -66.7 | -42 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | G4 Q8 L9 L10 | G4-G6 VanDerWaalsContact C-N 3.32Å; G4-G6 PolarHBondContact O-N 3.24Å; G6-Q8 VanDerWaalsContact C-N 3.34Å; G6-Q8 PolarHBondContact O-N 3.23Å; G6-L9 PolarHBondContact O-N 3.04Å; G6-L10 WeakPolarHBondContact O-CD1 3.03Å; G6-L10 PolarHBondContact O-N 3.46Å; G6-L10 VanDerWaalsContact O-N 3.15Å |
| 7 | L | 74.5 | Confident | 74.7 | Confident | 136 Ų | 136 | 119.8 Ų | 119.8 | 71% | 0.712 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -68.2 | -34.9 | -175.3 | -62.8 | 176.8 | 0 | 0 | 0 | 112.5 | G4 L9 L10 Y11 | G4-L7 PolarHBondContact O-N 3.27Å; L7-L9 VanDerWaalsContact C-N 3.33Å; L7-L10 PolarHBondContact O-N 3.35Å; L7-Y11 PolarHBondContact O-N 2.74Å |
| 8 | Q | 77.4 | Confident | 75.1 | Confident | 127 Ų | 127 | 117.6 Ų | 117.6 | 59% | 0.593 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -66.5 | -37.4 | 176.5 | -169.5 | 169.8 | 6.3 | 0 | 0 | 111.6 | G6 Y11 H12 | G6-Q8 VanDerWaalsContact C-N 3.34Å; G6-Q8 PolarHBondContact O-N 3.23Å; Q8-Y11 PolarHBondContact O-N 3.14Å; Q8-H12 PolarHBondContact O-CD2 3.41Å; Q8-H12 PolarHBondContact O-N 3.39Å; Q8-H12 VanDerWaalsContact O-N 3.14Å |
| 9 | L | 80.8 | Confident | 75.5 | Confident | 116 Ų | 116 | 115.1 Ų | 115.1 | 61% | 0.607 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -66.2 | -43 | 176 | -152.5 | 82.9 | 0 | 0 | 0 | 111.4 | G6 L7 Y11 H12 L13 | G6-L9 PolarHBondContact O-N 3.04Å; L7-L9 VanDerWaalsContact C-N 3.33Å; L9-Y11 VanDerWaalsContact C-N 3.31Å; L9-Y11 PolarHBondContact O-N 3.46Å; L9-H12 PolarHBondContact O-N 3Å; L9-L13 HydrophobicContact CD2-CD1 4.44Å; L9-L13 HydrophobicContact CG-CD1 4.33Å; L9-L13 WeakPolarHBondContact O-CD1 3.49Å; L9-L13 PolarHBondContact O-N 3.38Å |
| 10 | L | 82.7 | Confident | 75.6 | Confident | 118 Ų | 118 | 119.1 Ų | 119.1 | 62% | 0.618 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -61.1 | -40 | 175.7 | -86.5 | 91.8 | 0 | 0 | 0 | 112 | G6 L7 L13 A14 | G6-L10 WeakPolarHBondContact O-CD1 3.03Å; G6-L10 PolarHBondContact O-N 3.46Å; G6-L10 VanDerWaalsContact O-N 3.15Å; L7-L10 PolarHBondContact O-N 3.35Å; L10-L13 PolarHBondContact O-N 3.15Å; L10-A14 WeakPolarHBondContact O-CB 3.11Å; L10-A14 PolarHBondContact O-N 3.27Å |
| 11 | Y | 85.3 | Confident | 75.5 | Confident | 154 Ų | 154 | 118.6 Ų | 118.6 | 60% | 0.604 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -61.3 | -44.8 | 176.1 | 177.8 | -97.8 | 0 | 0 | 0 | 111.9 | L7 Q8 L9 A14 F15 | L7-Y11 PolarHBondContact O-N 2.74Å; Q8-Y11 PolarHBondContact O-N 3.14Å; L9-Y11 VanDerWaalsContact C-N 3.31Å; L9-Y11 PolarHBondContact O-N 3.46Å; Y11-A14 PolarHBondContact O-N 2.99Å; Y11-F15 WeakPolarHBondContact O-CB 3.48Å; Y11-F15 PolarHBondContact O-N 3.44Å |
| 12 | H | 87.9 | Confident | 76.6 | Confident | 83 Ų | 83 | 113.3 Ų | 113.3 | 38% | 0.384 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -65.2 | -41.2 | 178.1 | -71.4 | -58.6 | 0 | 0 | 0 | 112.4 | Q8 L9 F15 F16 | Q8-H12 PolarHBondContact O-CD2 3.41Å; Q8-H12 PolarHBondContact O-N 3.39Å; Q8-H12 VanDerWaalsContact O-N 3.14Å; L9-H12 PolarHBondContact O-N 3Å; H12-F15 PolarHBondContact O-N 2.99Å; H12-F16 WeakPolarHBondContact O-CD2 3.35Å; H12-F16 PolarHBondContact O-N 3.34Å |
| 13 | L | 89.4 | Confident | 76.9 | Confident | 113 Ų | 113 | 114.7 Ų | 114.7 | 59% | 0.592 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -61.3 | -46.7 | 175.9 | -87.2 | 146.3 | 0 | 0 | 0 | 112.4 | L9 L10 F15 F16 D17 | L9-L13 HydrophobicContact CD2-CD1 4.44Å; L9-L13 HydrophobicContact CG-CD1 4.33Å; L9-L13 WeakPolarHBondContact O-CD1 3.49Å; L9-L13 PolarHBondContact O-N 3.38Å; L10-L13 PolarHBondContact O-N 3.15Å; L13-F15 VanDerWaalsContact C-N 3.31Å; L13-F15 PolarHBondContact O-N 3.45Å; L13-F16 PolarHBondContact O-N 3.41Å; L13-D17 PolarHBondContact O-N 3.4Å |
| 14 | A | 86.8 | Confident | 76.7 | Confident | 56 Ų | 56 | 110.2 Ų | 110.2 | 46% | 0.463 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -63.4 | -38.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | L10 Y11 D17 C18 | L10-A14 WeakPolarHBondContact O-CB 3.11Å; L10-A14 PolarHBondContact O-N 3.27Å; Y11-A14 PolarHBondContact O-N 2.99Å; A14-D17 PolarHBondContact O-N 3.02Å; A14-C18 PolarHBondContact O-N 3.02Å; A14-C18 VanDerWaalsContact O-N 3.07Å; A14-C18 PolarHBondContact O-SG 3.07Å |
| 15 | F | 89.1 | Confident | 76.1 | Confident | 101 Ų | 101 | 112.6 Ų | 112.6 | 44% | 0.443 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -64 | -43.9 | 177.3 | -177.1 | -103.9 | 0 | 0 | 0 | 112.2 | Y11 H12 L13 C18 L19 | Y11-F15 WeakPolarHBondContact O-CB 3.48Å; Y11-F15 PolarHBondContact O-N 3.44Å; H12-F15 PolarHBondContact O-N 2.99Å; L13-F15 VanDerWaalsContact C-N 3.31Å; L13-F15 PolarHBondContact O-N 3.45Å; F15-C18 PolarHBondContact O-N 2.74Å; F15-L19 HydrophobicContact CD1-CD1 3.81Å; F15-L19 HydrophobicContact CD1-CG 4.49Å; F15-L19 HydrophobicContact CE1-CD1 3.33Å; F15-L19 HydrophobicContact CE1-CG 4.19Å; F15-L19 HydrophobicContact CZ-CD1 3.75Å; F15-L19 HydrophobicContact CZ-CD2 4.46Å; F15-L19 HydrophobicContact CZ-CG 4.26Å; F15-L19 WeakPolarHBondContact O-CG 3.38Å; F15-L19 PolarHBondContact O-N 3.37Å; F15-L19 VanDerWaalsContact O-N 3.09Å |
| 16 | F | 86.8 | Confident | 75.4 | Confident | 138 Ų | 138 | 112.2 Ų | 112.2 | 61% | 0.605 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -67.5 | -36.9 | 176.4 | -78.8 | -65.2 | 0 | 0 | 0 | 112.9 | H12 L13 L19 W20 | H12-F16 WeakPolarHBondContact O-CD2 3.35Å; H12-F16 PolarHBondContact O-N 3.34Å; L13-F16 PolarHBondContact O-N 3.41Å; F16-L19 PolarHBondContact O-N 2.93Å; F16-W20 VanDerWaalsContact O-CB 3.3Å; F16-W20 WeakPolarHBondContact O-CB 3.36Å; F16-W20 PolarHBondContact O-N 3.37Å |
| 17 | D | 86.7 | Confident | 74.6 | Confident | 75 Ų | 75 | 118.8 Ų | 118.8 | 40% | 0.401 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -62.1 | -42.3 | 174.9 | -172.1 | 55.5 | 0 | 0 | 0 | 111.6 | L13 A14 W20 K21 | L13-D17 PolarHBondContact O-N 3.4Å; A14-D17 PolarHBondContact O-N 3.02Å; D17-W20 PolarHBondContact O-N 3.01Å; D17-K21 WeakPolarHBondContact O-CB 3.44Å; D17-K21 WeakPolarHBondContact O-CG 3.45Å; D17-K21 PolarHBondContact O-N 3.02Å; D17-K21 IonicContact OD1-NZ 3.81Å; D17-K21 WeakPolarHBondContact OD2-CE 3.46Å; D17-K21 IonicContact OD2-NZ 2.74Å; D17-K21 PolarHBondContact OD2-NZ 3.18Å |
| 18 | C | 81.7 | Confident | 73.3 | Confident | 79 Ų | 79 | 118 Ų | 118 | 53% | 0.534 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -63.9 | -43.7 | 175.7 | -69.3 | 0 | 0 | 0 | 0 | 112.6 | A14 F15 W20 K21 Q22 | A14-C18 PolarHBondContact O-N 3.02Å; A14-C18 VanDerWaalsContact O-N 3.07Å; A14-C18 PolarHBondContact O-SG 3.07Å; F15-C18 PolarHBondContact O-N 2.74Å; C18-W20 VanDerWaalsContact C-N 3.31Å; C18-W20 PolarHBondContact O-N 3.27Å; C18-K21 PolarHBondContact O-N 2.92Å; C18-Q22 WeakPolarHBondContact O-CB 3.38Å; C18-Q22 PolarHBondContact O-N 3.42Å |
| 19 | L | 83 | Confident | 71.7 | Confident | 71 Ų | 71 | 118.7 Ų | 118.7 | 37% | 0.372 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -65.6 | -37.1 | 177.3 | -71.4 | 178.3 | 0 | 0 | 0 | 112.2 | F15 F16 Q22 K23 | F15-L19 HydrophobicContact CD1-CD1 3.81Å; F15-L19 HydrophobicContact CD1-CG 4.49Å; F15-L19 HydrophobicContact CE1-CD1 3.33Å; F15-L19 HydrophobicContact CE1-CG 4.19Å; F15-L19 HydrophobicContact CZ-CD1 3.75Å; F15-L19 HydrophobicContact CZ-CD2 4.46Å; F15-L19 HydrophobicContact CZ-CG 4.26Å; F15-L19 WeakPolarHBondContact O-CG 3.38Å; F15-L19 PolarHBondContact O-N 3.37Å; F15-L19 VanDerWaalsContact O-N 3.09Å; F16-L19 PolarHBondContact O-N 2.93Å; L19-Q22 PolarHBondContact O-N 3.28Å; L19-K23 PolarHBondContact O-N 3.16Å |
| 20 | W | 77.4 | Confident | 70 | Confident | 195 Ų | 195 | 122.5 Ų | 122.5 | 74% | 0.739 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -66.3 | -42.6 | 176.1 | -172 | -97 | 0 | 0 | 0 | 111.5 | F16 D17 C18 K23 S24 | F16-W20 VanDerWaalsContact O-CB 3.3Å; F16-W20 WeakPolarHBondContact O-CB 3.36Å; F16-W20 PolarHBondContact O-N 3.37Å; D17-W20 PolarHBondContact O-N 3.01Å; C18-W20 VanDerWaalsContact C-N 3.31Å; C18-W20 PolarHBondContact O-N 3.27Å; W20-K23 WeakPolarHBondContact O-CB 3.3Å; W20-K23 PolarHBondContact O-N 3.09Å; W20-S24 PolarHBondContact O-N 3.37Å |
| 21 | K | 72.9 | Confident | 68.3 | Low | 109 Ų | 109 | 125.6 Ų | 125.6 | 47% | 0.474 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -65.7 | -37.7 | 175 | -76.3 | 172.2 | 174.8 | 163.8 | 0 | 113 | D17 C18 K23 S24 E25 | D17-K21 WeakPolarHBondContact O-CB 3.44Å; D17-K21 WeakPolarHBondContact O-CG 3.45Å; D17-K21 PolarHBondContact O-N 3.02Å; D17-K21 IonicContact OD1-NZ 3.81Å; D17-K21 WeakPolarHBondContact OD2-CE 3.46Å; D17-K21 IonicContact OD2-NZ 2.74Å; D17-K21 PolarHBondContact OD2-NZ 3.18Å; C18-K21 PolarHBondContact O-N 2.92Å; K21-K23 VanDerWaalsContact C-N 3.26Å; K21-K23 PolarHBondContact O-N 3.49Å; K21-S24 PolarHBondContact O-N 2.91Å; K21-S24 VanDerWaalsContact O-N 3.1Å; K21-S24 PolarHBondContact O-OG 2.79Å; K21-E25 WeakPolarHBondContact O-CB 3.11Å; K21-E25 PolarHBondContact O-N 2.94Å |
| 22 | Q | 65.3 | Low | 66.6 | Low | 129 Ų | 129 | 125 Ų | 125 | 60% | 0.603 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -63.6 | -34.4 | 175.7 | -170.7 | -177.8 | -31.1 | 0 | 0 | 112 | C18 L19 S24 | C18-Q22 WeakPolarHBondContact O-CB 3.38Å; C18-Q22 PolarHBondContact O-N 3.42Å; L19-Q22 PolarHBondContact O-N 3.28Å; Q22-S24 VanDerWaalsContact C-N 3.3Å; Q22-S24 PolarHBondContact O-N 3.22Å |
| 23 | K | 58.1 | Low | 64.1 | Low | 179 Ų | 179 | 127.5 Ų | 127.5 | 78% | 0.778 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -69.9 | -22.5 | 174.4 | -85.5 | -87 | -177.3 | 177.9 | 0 | 113.8 | L19 W20 K21 | L19-K23 PolarHBondContact O-N 3.16Å; W20-K23 WeakPolarHBondContact O-CB 3.3Å; W20-K23 PolarHBondContact O-N 3.09Å; K21-K23 VanDerWaalsContact C-N 3.26Å; K21-K23 PolarHBondContact O-N 3.49Å |
| 24 | S | 55.7 | Low | 61.8 | Low | 71 Ų | 71 | 128.2 Ų | 128.2 | 50% | 0.497 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -97.4 | -23.3 | 176.7 | 59.4 | 0 | 0 | 0 | 0 | 114 | W20 K21 Q22 E26 | W20-S24 PolarHBondContact O-N 3.37Å; K21-S24 PolarHBondContact O-N 2.91Å; K21-S24 VanDerWaalsContact O-N 3.1Å; K21-S24 PolarHBondContact O-OG 2.79Å; Q22-S24 VanDerWaalsContact C-N 3.3Å; Q22-S24 PolarHBondContact O-N 3.22Å; S24-E26 VanDerWaalsContact C-N 3.34Å |
| 25 | E | 50.5 | Low | 59.8 | Low | 100 Ų | 100 | 133.3 Ų | 133.3 | 47% | 0.467 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -80.7 | -15 | 178.9 | -162.2 | 179.6 | 144.7 | 0 | 0 | 112.8 | K21 E27 E28 K29 | K21-E25 WeakPolarHBondContact O-CB 3.11Å; K21-E25 PolarHBondContact O-N 2.94Å; E25-E27 PolarHBondContact O-N 3Å; E25-E28 PolarHBondContact O-N 2.97Å; E25-K29 WeakPolarHBondContact OE1-CE 3.46Å; E25-K29 IonicContact OE1-NZ 3.11Å; E25-K29 PolarHBondContact OE1-NZ 2.74Å |
| 26 | E | 46.4 | Very low | 58 | Low | 162 Ų | 162 | 132.7 Ų | 132.7 | 76% | 0.757 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.4 | -13.9 | 173.6 | -164 | 159.2 | -172.2 | 0 | 0 | 112.8 | S24 | S24-E26 VanDerWaalsContact C-N 3.34Š|
| 27 | E | 47.9 | Very low | 55.8 | Low | 183 Ų | 183 | 132.9 Ų | 132.9 | 86% | 0.855 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.3 | -10.2 | 173.3 | -121 | -179.6 | 179 | 0 | 0 | 113.8 | E25 | E25-E27 PolarHBondContact O-N 3Š|
| 28 | E | 46.8 | Very low | 53.6 | Low | 120 Ų | 120 | 136.4 Ų | 136.4 | 56% | 0.561 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -117.2 | 24.8 | -179.2 | -147.3 | -166.2 | 162.3 | 0 | 0 | 113.1 | E25 K32 | E25-E28 PolarHBondContact O-N 2.97Å; E28-K32 IonicContact OE1-NZ 2.74Å; E28-K32 PolarHBondContact OE1-NZ 2.91Å |
| 29 | K | 44.3 | Very low | 51.7 | Low | 140 Ų | 140 | 137.5 Ų | 137.5 | 61% | 0.609 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -114 | 13.3 | 175.8 | -86.2 | -176.7 | -178.3 | 160.2 | 0 | 115.2 | E25 | E25-K29 WeakPolarHBondContact OE1-CE 3.46Å; E25-K29 IonicContact OE1-NZ 3.11Å; E25-K29 PolarHBondContact OE1-NZ 2.74Å |
| 30 | E | 45.8 | Very low | 50.2 | Low | 196 Ų | 196 | 142.1 Ų | 142.1 | 92% | 0.916 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -97.1 | -9.2 | 169.1 | -146.1 | 172.8 | -173.7 | 0 | 0 | 113.4 | | |
| 31 | E | 47.6 | Very low | 48.8 | Very low | 183 Ų | 183 | 142.1 Ų | 142.1 | 86% | 0.855 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -119.9 | -5.2 | -173.2 | -130.9 | -179.2 | -178.7 | 0 | 0 | 116.7 | | |
| 32 | K | 48.5 | Very low | 47.3 | Very low | 142 Ų | 142 | 142.9 Ų | 142.9 | 62% | 0.617 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -127.7 | 10.8 | -171.9 | -77.3 | -178.1 | -173.9 | 158.2 | 0 | 118.2 | E28 | E28-K32 IonicContact OE1-NZ 2.74Å; E28-K32 PolarHBondContact OE1-NZ 2.91Å |
| 33 | E | 36.1 | Very low | 46.4 | Very low | 136 Ų | 136 | 146.6 Ų | 146.6 | 64% | 0.636 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -118.8 | 35.4 | 170.8 | -145.1 | 173.3 | 175.9 | 0 | 0 | 113.5 | L35 | E33-L35 VanDerWaalsContact C-N 3.32Š|
| 34 | C | 40.5 | Very low | 45.7 | Very low | 128 Ų | 128 | 146.6 Ų | 146.6 | 87% | 0.865 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -84.2 | 0.2 | 154.8 | -87.1 | 0 | 0 | 0 | 0 | 112.9 | | |
| 35 | L | 44.9 | Very low | 45.2 | Very low | 162 Ų | 162 | 148.6 Ų | 148.6 | 85% | 0.848 | 74% | 0.742 | S | S | * | * | S | Bend | trans | -135.1 | -7.4 | -164.2 | -77.3 | 175.3 | 0 | 0 | 0 | 119.9 | E33 | E33-L35 VanDerWaalsContact C-N 3.32Š|
| 36 | S | 51.8 | Low | 44.8 | Very low | 89 Ų | 89 | 149.4 Ų | 149.4 | 62% | 0.622 | 76% | 0.759 | S | S | * | * | | | trans | -161.6 | 79.7 | 178.6 | 65.9 | 0 | 0 | 0 | 0 | 116.6 | | |
| 37 | L | 39 | Very low | 44.8 | Very low | 141 Ų | 141 | 148.9 Ų | 148.9 | 74% | 0.738 | 75% | 0.754 | S | S | * | * | | | trans | -157.4 | 76.2 | 149.1 | -85.8 | -166 | 0 | 0 | 0 | 109.9 | P39 | L37-P39 WeakPolarHBondContact O-CD 3.49Š|
| 38 | N | 41.9 | Very low | 44.2 | Very low | 149 Ų | 149 | 146.4 Ų | 146.4 | 80% | 0.797 | 75% | 0.746 | S | S | * | * | | | trans | -107.6 | 96.4 | 155.7 | -156.9 | -19.4 | 0 | 0 | 0 | 106.7 | L40 | N38-L40 PolarHBondContact O-N 2.92Š|
| 39 | P | 42.1 | Very low | 43.7 | Very low | 102 Ų | 102 | 146.6 Ų | 146.6 | 66% | 0.662 | 76% | 0.756 | S | S | * | * | | | trans | -65.5 | 106.2 | 173.3 | -15.4 | 29.3 | 0 | 0 | 0 | 107.8 | L37 K41 | L37-P39 WeakPolarHBondContact O-CD 3.49Å; P39-K41 PolarHBondContact O-N 3.1Å |
| 40 | L | 50.7 | Low | 43.9 | Very low | 169 Ų | 169 | 145.6 Ų | 145.6 | 89% | 0.885 | 76% | 0.764 | S | S | * | * | | | trans | -46.6 | 112.8 | 169.4 | -85.5 | 91.9 | 0 | 0 | 0 | 108.9 | N38 | N38-L40 PolarHBondContact O-N 2.92Š|
| 41 | K | 47.3 | Very low | 43.6 | Very low | 194 Ų | 194 | 144.1 Ų | 144.1 | 84% | 0.843 | 76% | 0.761 | S | S | * | * | | | trans | -68.2 | 131.7 | 163.6 | -74.4 | -179.4 | 177.9 | 177.6 | 0 | 108 | P39 Y43 | P39-K41 PolarHBondContact O-N 3.1Å; K41-Y43 PolarHBondContact O-N 3.38Å |
| 42 | P | 43 | Very low | 43 | Very low | 126 Ų | 126 | 138 Ų | 138 | 82% | 0.818 | 75% | 0.746 | S | S | * | * | | | trans | -61.7 | 125.2 | 172.2 | 22.3 | -28.7 | 0 | 0 | 0 | 109.6 | H44 | P42-H44 PolarHBondContact O-N 3.37Å; P42-H44 VanDerWaalsContact O-N 3.16Å |
| 43 | Y | 44.6 | Very low | 42.3 | Very low | 207 Ų | 207 | 139.6 Ų | 139.6 | 81% | 0.812 | 76% | 0.762 | S | S | * | * | | | trans | -63.1 | 103.7 | 177.6 | -161.4 | -97.5 | 0 | 0 | 0 | 109.4 | K41 L45 | K41-Y43 PolarHBondContact O-N 3.38Å; Y43-L45 HydrophobicContact CD1-CB 4.29Å; Y43-L45 HydrophobicContact CD1-CD1 4.48Å; Y43-L45 HydrophobicContact CE1-CB 4.44Å; Y43-L45 HydrophobicContact CE1-CD1 3.83Å; Y43-L45 PolarHBondContact O-N 3.34Å |
| 44 | H | 44.9 | Very low | 42.1 | Very low | 178 Ų | 178 | 136 Ų | 136 | 82% | 0.824 | 76% | 0.761 | S | S | * | * | | | trans | -83.7 | 98.5 | 168.3 | -153.9 | -75.9 | 0 | 0 | 0 | 108.4 | P42 S46 | P42-H44 PolarHBondContact O-N 3.37Å; P42-H44 VanDerWaalsContact O-N 3.16Å; H44-S46 PolarHBondContact O-N 3.28Å |
| 45 | L | 44.1 | Very low | 41.9 | Very low | 113 Ų | 113 | 140.2 Ų | 140.2 | 59% | 0.592 | 77% | 0.765 | S | S | * | * | | | trans | -69.1 | 101.7 | 173.1 | -174.5 | 76.4 | 0 | 0 | 0 | 108.8 | Y43 K47 | Y43-L45 HydrophobicContact CD1-CB 4.29Å; Y43-L45 HydrophobicContact CD1-CD1 4.48Å; Y43-L45 HydrophobicContact CE1-CB 4.44Å; Y43-L45 HydrophobicContact CE1-CD1 3.83Å; Y43-L45 PolarHBondContact O-N 3.34Å; L45-K47 HydrophobicContact CG-CG 4.4Å |
| 46 | S | 42.8 | Very low | 41.6 | Very low | 117 Ų | 117 | 138.1 Ų | 138.1 | 82% | 0.818 | 76% | 0.764 | S | S | * | * | | | trans | -91.8 | 102.8 | 167.6 | -168.2 | 0 | 0 | 0 | 0 | 109.1 | H44 | H44-S46 PolarHBondContact O-N 3.28Š|
| 47 | K | 45.2 | Very low | 41.1 | Very low | 152 Ų | 152 | 140.2 Ų | 140.2 | 66% | 0.661 | 77% | 0.774 | S | S | * | * | | | trans | -109.9 | 139.3 | 162.8 | -84.1 | -164.2 | 176.4 | -166.9 | 0 | 105.5 | L45 | L45-K47 HydrophobicContact CG-CG 4.4Š|
| 48 | D | 36.5 | Very low | 41.6 | Very low | 130 Ų | 130 | 138 Ų | 138 | 70% | 0.695 | 78% | 0.775 | S | S | * | * | | | cis | -151.7 | 154.1 | 6.9 | -78.3 | -51.1 | 0 | 0 | 0 | 104.7 | | |
| 49 | T | 36.6 | Very low | 42.4 | Very low | 125 Ų | 125 | 136.4 Ų | 136.4 | 77% | 0.767 | 77% | 0.773 | S | S | * | * | | | | -176.2 | 134 | 93.9 | -52.1 | 0 | 0 | 0 | 0 | 108.9 | | |
| 50 | P | 48 | Very low | 42.9 | Very low | 119 Ų | 119 | 137.5 Ų | 137.5 | 77% | 0.773 | 78% | 0.78 | S | S | * | * | | | trans | -92.8 | 122.3 | 164.3 | 33.1 | -23.6 | 0 | 0 | 0 | 109.3 | | |
| 51 | I | 39 | Very low | 42.9 | Very low | 165 Ų | 165 | 138.1 Ų | 138.1 | 85% | 0.846 | 78% | 0.778 | S | S | * | * | | | trans | -115.2 | 114.4 | 160.2 | -155.3 | 77.9 | 0 | 0 | 0 | 107.3 | | |
| 52 | G | 35.2 | Very low | 43.2 | Very low | 54 Ų | 54 | 133.6 Ų | 133.6 | 56% | 0.557 | 77% | 0.769 | S | S | * | * | | | trans | -78.7 | -178.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 53 | N | 34.7 | Very low | 43.4 | Very low | 175 Ų | 175 | 132.7 Ų | 132.7 | 94% | 0.936 | 77% | 0.766 | S | S | * | * | | | trans | 97.5 | 116.9 | 175.1 | -49.9 | 1.3 | 0 | 0 | 0 | 111.6 | | |
| 54 | G | 32 | Very low | 43.3 | Very low | 61 Ų | 61 | 128.9 Ų | 128.9 | 63% | 0.629 | 77% | 0.768 | S | S | * | * | | | cis | 148.6 | 121.2 | 11.5 | 0 | 0 | 0 | 0 | 0 | 107.7 | | |
| 55 | F | 35.3 | Very low | 43.3 | Very low | 216 Ų | 216 | 129.8 Ų | 129.8 | 95% | 0.947 | 76% | 0.764 | S | S | * | * | | | trans | 56.5 | 114.7 | 158.1 | -57.6 | -81.2 | 0 | 0 | 0 | 121.2 | | |
| 56 | S | 39.1 | Very low | 43.8 | Very low | 118 Ų | 118 | 130 Ų | 130 | 83% | 0.825 | 78% | 0.775 | S | S | * | * | | | trans | -161.3 | 98.6 | 133.7 | -170.9 | 0 | 0 | 0 | 0 | 113 | | |
| 57 | T | 41.1 | Very low | 44.4 | Very low | 134 Ų | 134 | 131.1 Ų | 131.1 | 82% | 0.822 | 77% | 0.767 | S | S | * | * | | | trans | 6.1 | 123.5 | 145.3 | -34.2 | 0 | 0 | 0 | 0 | 121.3 | | |
| 58 | A | 48.7 | Very low | 44.1 | Very low | 93 Ų | 93 | 127.4 Ų | 127.4 | 77% | 0.769 | 77% | 0.773 | S | S | * | * | | | | 174.7 | 143.9 | 122.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 59 | P | 59.8 | Low | 44.9 | Very low | 116 Ų | 116 | 130.5 Ų | 130.5 | 75% | 0.753 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -85.7 | 161.6 | -172.4 | 34.5 | -33.8 | 0 | 0 | 0 | 114 | | |
| 60 | P | 52.3 | Low | 45.5 | Very low | 126 Ų | 126 | 130.4 Ų | 130.4 | 82% | 0.818 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -75.8 | 129 | 179.1 | 31 | -32.4 | 0 | 0 | 0 | 111.3 | | |
| 61 | H | 51.3 | Low | 45.8 | Very low | 181 Ų | 181 | 134.1 Ų | 134.1 | 84% | 0.838 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -77.4 | 134.8 | 177.3 | -146.2 | -74.5 | 0 | 0 | 0 | 110.8 | | |
| 62 | P | 52.7 | Low | 46.1 | Very low | 99 Ų | 99 | 130.5 Ų | 130.5 | 64% | 0.643 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -99 | 161.9 | 172 | 35.7 | -29.1 | 0 | 0 | 0 | 112.9 | | |
| 63 | S | 47.7 | Very low | 46.3 | Very low | 108 Ų | 108 | 133.6 Ų | 133.6 | 76% | 0.755 | 78% | 0.778 | S | S | * | * | | | trans | 77.3 | 133.4 | 169 | 81.3 | 0 | 0 | 0 | 0 | 116.2 | | |
| 64 | C | 41.3 | Very low | 46.9 | Very low | 127 Ų | 127 | 133.6 Ų | 133.6 | 86% | 0.858 | 77% | 0.772 | S | S | * | * | | | | -135.8 | 130.4 | 65.7 | -73.3 | 0 | 0 | 0 | 0 | 114.8 | | |
| 65 | R | 45 | Very low | 47.7 | Very low | 196 Ų | 196 | 137 Ų | 137 | 74% | 0.74 | 78% | 0.78 | S | S | * | * | | | trans | -79.6 | 130.3 | 161.3 | -169.3 | -177.9 | -166.4 | -108.9 | -4.2 | 107.5 | E67 | R65-E67 IonicContact CZ-OE1 3.68Å; R65-E67 IonicContact CZ-OE2 2.73Å; R65-E67 IonicContact NH1-OE1 2.94Å; R65-E67 PolarHBondContact NH1-OE1 3.19Å; R65-E67 VanDerWaalsContact NH1-OE1 3.11Å; R65-E67 IonicContact NH1-OE2 2.72Å; R65-E67 PolarHBondContact NH1-OE2 3.48Å; R65-E67 IonicContact NH2-OE1 3.96Å; R65-E67 PolarHBondContact NH2-OE1 3Å; R65-E67 IonicContact NH2-OE2 3.2Å |
| 66 | S | 54.5 | Low | 47.9 | Very low | 119 Ų | 119 | 134 Ų | 134 | 83% | 0.832 | 77% | 0.77 | S | S | * | * | | | trans | -138.9 | 108.8 | 153.6 | -171.3 | 0 | 0 | 0 | 0 | 108.7 | | |
| 67 | E | 56.9 | Low | 48.4 | Very low | 139 Ų | 139 | 135.7 Ų | 135.7 | 65% | 0.65 | 76% | 0.764 | S | S | * | * | | | trans | -59.1 | 146.7 | 166.4 | -79.4 | 157.7 | 148.2 | 0 | 0 | 110.5 | R65 | R65-E67 IonicContact CZ-OE1 3.68Å; R65-E67 IonicContact CZ-OE2 2.73Å; R65-E67 IonicContact NH1-OE1 2.94Å; R65-E67 PolarHBondContact NH1-OE1 3.19Å; R65-E67 VanDerWaalsContact NH1-OE1 3.11Å; R65-E67 IonicContact NH1-OE2 2.72Å; R65-E67 PolarHBondContact NH1-OE2 3.48Å; R65-E67 IonicContact NH2-OE1 3.96Å; R65-E67 PolarHBondContact NH2-OE1 3Å; R65-E67 IonicContact NH2-OE2 3.2Å |
| 68 | G | 39.3 | Very low | 48.6 | Very low | 75 Ų | 75 | 136.8 Ų | 136.8 | 77% | 0.773 | 76% | 0.76 | S | S | * | * | | | trans | 177.6 | 49.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 69 | R | 53.1 | Low | 48.7 | Very low | 195 Ų | 195 | 137.1 Ų | 137.1 | 74% | 0.736 | 75% | 0.752 | S | S | * | * | | | trans | -92.5 | 128.4 | 164.1 | -172.7 | -175.5 | -175.2 | -158 | 9.9 | 108.8 | | |
| 70 | P | 49.1 | Very low | 48.2 | Very low | 123 Ų | 123 | 138.4 Ų | 138.4 | 80% | 0.799 | 75% | 0.752 | S | S | * | * | | | trans | -122 | 139.9 | 135.1 | 11.9 | 8 | 0 | 0 | 0 | 110.7 | | |
| 71 | R | 53.4 | Low | 48.5 | Very low | 197 Ų | 197 | 139.5 Ų | 139.5 | 74% | 0.743 | 75% | 0.75 | S | S | * | * | | | trans | -69.1 | 147.5 | 174 | -76.3 | -160.6 | -179.9 | -139.4 | 7.6 | 111.6 | | |
| 72 | A | 45 | Very low | 48.7 | Very low | 88 Ų | 88 | 138.8 Ų | 138.8 | 73% | 0.727 | 75% | 0.747 | S | S | * | * | | | trans | -145.3 | 113 | 140 | 0 | 0 | 0 | 0 | 0 | 106.5 | | |
| 73 | T | 40.8 | Very low | 49 | Very low | 120 Ų | 120 | 138.7 Ų | 138.7 | 74% | 0.736 | 75% | 0.749 | S | S | * | * | | | | 64.1 | 108.9 | 93.9 | -41.2 | 0 | 0 | 0 | 0 | 108.5 | | |
| 74 | E | 47.2 | Very low | 49.7 | Very low | 174 Ų | 174 | 139.4 Ų | 139.4 | 81% | 0.813 | 75% | 0.751 | S | S | * | * | | | cis | -166.9 | 129.6 | 44.1 | -141.8 | 163.2 | -163.4 | 0 | 0 | 107.3 | Q76 | E74-Q76 PolarHBondContact O-N 3.17Š|
| 75 | T | 47.8 | Very low | 51 | Low | 132 Ų | 132 | 137.8 Ų | 137.8 | 81% | 0.81 | 74% | 0.74 | S | S | * | * | | | trans | -73.8 | 91.1 | 170.7 | -44.6 | 0 | 0 | 0 | 0 | 107.3 | E77 | T75-E77 HydrophobicContact CG2-CB 4.34Å; T75-E77 PolarHBondContact O-N 3.35Å |
| 76 | Q | 40.7 | Very low | 52 | Low | 154 Ų | 154 | 134.6 Ų | 134.6 | 72% | 0.72 | 75% | 0.745 | S | S | * | * | | | trans | -81.9 | 86.4 | 152.3 | -102.7 | -167.6 | 7.9 | 0 | 0 | 106.5 | E74 Q78 | E74-Q76 PolarHBondContact O-N 3.17Å; Q76-Q78 PolarHBondContact O-N 3.38Å |
| 77 | E | 48.8 | Very low | 52.7 | Low | 154 Ų | 154 | 134 Ų | 134 | 72% | 0.72 | 74% | 0.741 | S | S | * | * | | | trans | -60.6 | 85.2 | 154.9 | -171 | -178.6 | 160.8 | 0 | 0 | 106 | T75 V79 | T75-E77 HydrophobicContact CG2-CB 4.34Å; T75-E77 PolarHBondContact O-N 3.35Å; E77-V79 HydrophobicContact CG-CG2 3.93Å; E77-V79 PolarHBondContact O-N 2.92Å |
| 78 | Q | 44.8 | Very low | 53.3 | Low | 156 Ų | 156 | 137.9 Ų | 137.9 | 73% | 0.729 | 75% | 0.75 | S | S | * | * | | | trans | -64.4 | 89.9 | 161.1 | -79.4 | 171.2 | 14.2 | 0 | 0 | 104.9 | Q76 L80 | Q76-Q78 PolarHBondContact O-N 3.38Å; Q78-L80 PolarHBondContact O-N 3.48Å |
| 79 | V | 50.8 | Low | 54.8 | Low | 100 Ų | 100 | 139.5 Ų | 139.5 | 61% | 0.606 | 75% | 0.75 | S | S | * | * | | | trans | -63 | 79.4 | 157 | -177.7 | 0 | 0 | 0 | 0 | 104.9 | E77 I81 | E77-V79 HydrophobicContact CG-CG2 3.93Å; E77-V79 PolarHBondContact O-N 2.92Å; V79-I81 HydrophobicContact CG1-CG1 4.24Å; V79-I81 PolarHBondContact O-N 3.09Å |
| 80 | L | 49.5 | Very low | 55.7 | Low | 144 Ų | 144 | 137.8 Ų | 137.8 | 75% | 0.754 | 75% | 0.747 | S | S | * | * | | | trans | -61 | 100.6 | 159.6 | -177.5 | 68.5 | 0 | 0 | 0 | 103.4 | Q78 Q82 | Q78-L80 PolarHBondContact O-N 3.48Å; L80-Q82 PolarHBondContact O-N 3.31Å |
| 81 | I | 58.4 | Low | 56.5 | Low | 149 Ų | 149 | 136.7 Ų | 136.7 | 76% | 0.764 | 74% | 0.741 | S | S | * | * | | | trans | -60.1 | 91 | 167.2 | -61.1 | -177.5 | 0 | 0 | 0 | 104.7 | V79 S83 | V79-I81 HydrophobicContact CG1-CG1 4.24Å; V79-I81 PolarHBondContact O-N 3.09Å; I81-S83 PolarHBondContact O-N 3.05Å; I81-S83 VanDerWaalsContact O-N 3.14Å |
| 82 | Q | 55 | Low | 57.4 | Low | 165 Ų | 165 | 133.2 Ų | 133.2 | 77% | 0.771 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -63 | 116.5 | 172.7 | -144.2 | -175.3 | 50.4 | 0 | 0 | 104.5 | L80 | L80-Q82 PolarHBondContact O-N 3.31Š|
| 83 | S | 58.9 | Low | 58.4 | Low | 98 Ų | 98 | 137.4 Ų | 137.4 | 69% | 0.685 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -57 | 129.1 | 172.6 | 47.9 | 0 | 0 | 0 | 0 | 107.3 | I81 S85 | I81-S83 PolarHBondContact O-N 3.05Å; I81-S83 VanDerWaalsContact O-N 3.14Å; S83-S85 PolarHBondContact O-N 2.97Å |
| 84 | P | 63.6 | Low | 59.8 | Low | 123 Ų | 123 | 140 Ų | 140 | 80% | 0.799 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 121.2 | 177.1 | 21.7 | -29.4 | 0 | 0 | 0 | 107.3 | | |
| 85 | S | 67.8 | Low | 60.8 | Low | 92 Ų | 92 | 137.3 Ų | 137.3 | 64% | 0.643 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -50.6 | 140.6 | 175.1 | 52.3 | 0 | 0 | 0 | 0 | 109.3 | S83 S87 | S83-S85 PolarHBondContact O-N 2.97Å; S85-S87 PolarHBondContact O-N 3.28Å |
| 86 | P | 65.9 | Low | 61.7 | Low | 130 Ų | 130 | 138.1 Ų | 138.1 | 84% | 0.844 | 74% | 0.741 | S | S | * | * | | | trans | -59.2 | 107.8 | 177.5 | 22.7 | -30.5 | 0 | 0 | 0 | 108.8 | R88 | P86-R88 PolarHBondContact O-N 2.73Š|
| 87 | S | 70.9 | Confident | 62.6 | Low | 106 Ų | 106 | 135.6 Ų | 135.6 | 74% | 0.741 | 74% | 0.737 | S | S | * | * | | | trans | -54.6 | 128.4 | 176.4 | -63 | 0 | 0 | 0 | 0 | 108.7 | S85 S89 | S85-S87 PolarHBondContact O-N 3.28Å; S87-S89 PolarHBondContact O-N 3.06Å |
| 88 | R | 67.8 | Low | 63.3 | Low | 220 Ų | 220 | 135 Ų | 135 | 83% | 0.83 | 74% | 0.739 | S | S | * | * | | | trans | -57.4 | 99.4 | 175.2 | -172.9 | -177.8 | -175 | -149.6 | 2.1 | 108.5 | P86 | P86-R88 PolarHBondContact O-N 2.73Š|
| 89 | S | 72 | Confident | 64.3 | Low | 110 Ų | 110 | 134.2 Ų | 134.2 | 77% | 0.769 | 74% | 0.739 | S | S | * | * | | | trans | -76.1 | 131.5 | 175 | 51.6 | 0 | 0 | 0 | 0 | 109 | S87 | S87-S89 PolarHBondContact O-N 3.06Š|
| 90 | F | 71.5 | Confident | 64.7 | Low | 158 Ų | 158 | 135.2 Ų | 135.2 | 69% | 0.693 | 75% | 0.747 | S | S | * | * | | | trans | -74.3 | 150.2 | 167 | -70.1 | -85.5 | 0 | 0 | 0 | 109 | T92 | F90-T92 PolarHBondContact O-N 2.9Š|
| 91 | P | 66.1 | Low | 65.3 | Low | 101 Ų | 101 | 134.8 Ų | 134.8 | 66% | 0.656 | 75% | 0.75 | S | S | * | * | | | trans | -62.5 | 109.6 | 177.7 | 24.9 | -31.9 | 0 | 0 | 0 | 109.5 | F93 | P91-F93 PolarHBondContact O-N 2.82Š|
| 92 | T | 71.1 | Confident | 65.4 | Low | 123 Ų | 123 | 139.1 Ų | 139.1 | 76% | 0.755 | 76% | 0.757 | S | S | * | * | | | trans | -77.6 | 108.4 | 169.6 | -55.2 | 0 | 0 | 0 | 0 | 107.7 | F90 Q94 | F90-T92 PolarHBondContact O-N 2.9Å; T92-Q94 PolarHBondContact O-N 2.9Å |
| 93 | F | 67.2 | Low | 65.7 | Low | 176 Ų | 176 | 135.7 Ų | 135.7 | 77% | 0.772 | 75% | 0.751 | S | S | * | * | | | trans | -69.5 | 118 | 167.5 | -67.5 | -81.7 | 0 | 0 | 0 | 108.6 | P91 T95 | P91-F93 PolarHBondContact O-N 2.82Å; F93-T95 PolarHBondContact O-N 2.8Å |
| 94 | Q | 69.4 | Low | 65.8 | Low | 176 Ų | 176 | 141.2 Ų | 141.2 | 82% | 0.822 | 76% | 0.763 | S | S | * | * | | | trans | -71.6 | 94.8 | 172.3 | -70.1 | -90.9 | 45.7 | 0 | 0 | 108.1 | T92 L96 | T92-Q94 PolarHBondContact O-N 2.9Å; Q94-L96 PolarHBondContact O-N 3.08Å |
| 95 | T | 69.4 | Low | 65.3 | Low | 116 Ų | 116 | 145.1 Ų | 145.1 | 71% | 0.712 | 76% | 0.761 | S | S | * | * | | | trans | -68.3 | 106.1 | 170.9 | -50.2 | 0 | 0 | 0 | 0 | 107.9 | F93 T97 | F93-T95 PolarHBondContact O-N 2.8Å; T95-T97 VanDerWaalsContact C-N 3.26Å; T95-T97 HydrophobicContact CG2-CG2 4.15Å; T95-T97 PolarHBondContact O-N 3.28Å |
| 96 | L | 65.8 | Low | 64.6 | Low | 149 Ų | 149 | 145.3 Ų | 145.3 | 78% | 0.78 | 77% | 0.769 | S | S | * | * | | | trans | -63.9 | 85.8 | 172.6 | -95.2 | 156.1 | 0 | 0 | 0 | 109.6 | Q94 N98 | Q94-L96 PolarHBondContact O-N 3.08Å; L96-N98 VanDerWaalsContact C-N 3.31Å; L96-N98 PolarHBondContact O-N 2.84Å; L96-N98 VanDerWaalsContact O-N 3.08Å |
| 97 | T | 60.9 | Low | 64.4 | Low | 102 Ų | 102 | 145.6 Ų | 145.6 | 63% | 0.626 | 77% | 0.774 | S | S | * | * | | | trans | -81.4 | 81.8 | 170.6 | 59.1 | 0 | 0 | 0 | 0 | 108.7 | T95 L99 | T95-T97 VanDerWaalsContact C-N 3.26Å; T95-T97 HydrophobicContact CG2-CG2 4.15Å; T95-T97 PolarHBondContact O-N 3.28Å; T97-L99 PolarHBondContact O-N 2.85Å |
| 98 | N | 63 | Low | 63.5 | Low | 142 Ų | 142 | 143.7 Ų | 143.7 | 76% | 0.759 | 77% | 0.771 | S | S | * | * | | | trans | -73.5 | 53.3 | 161.7 | -71.9 | -58 | 0 | 0 | 0 | 109.8 | L96 | L96-N98 VanDerWaalsContact C-N 3.31Å; L96-N98 PolarHBondContact O-N 2.84Å; L96-N98 VanDerWaalsContact O-N 3.08Å |
| 99 | L | 66 | Low | 62.8 | Low | 139 Ų | 139 | 139 Ų | 139 | 73% | 0.728 | 77% | 0.771 | S | S | * | * | | | trans | -81 | 125.3 | 167 | -67.4 | 178.3 | 0 | 0 | 0 | 106.6 | T97 V101 | T97-L99 PolarHBondContact O-N 2.85Å; L99-V101 PolarHBondContact O-N 3.04Å |
| 100 | P | 58.2 | Low | 62.2 | Low | 120 Ų | 120 | 138 Ų | 138 | 78% | 0.779 | 76% | 0.764 | S | S | * | * | | | trans | -58.3 | 117.7 | 177.9 | 22.5 | -30.8 | 0 | 0 | 0 | 108.4 | R102 | P100-R102 PolarHBondContact O-N 2.73Š|
| 101 | V | 62.4 | Low | 61.2 | Low | 136 Ų | 136 | 136.5 Ų | 136.5 | 82% | 0.824 | 77% | 0.771 | S | S | * | * | | | trans | -54.7 | 113.8 | 172.9 | 171 | 0 | 0 | 0 | 0 | 106.9 | L99 S103 | L99-V101 PolarHBondContact O-N 3.04Å; V101-S103 VanDerWaalsContact C-N 3.35Å; V101-S103 PolarHBondContact O-N 3Å |
| 102 | R | 60.8 | Low | 60.6 | Low | 240 Ų | 240 | 139 Ų | 139 | 91% | 0.906 | 77% | 0.773 | S | S | * | * | | | trans | -63.8 | 98.4 | 175.7 | -171.4 | 174.8 | -172 | 159 | 0.9 | 107.3 | P100 K104 | P100-R102 PolarHBondContact O-N 2.73Å; R102-K104 PolarHBondContact O-N 3Å |
| 103 | S | 61.6 | Low | 59.9 | Low | 92 Ų | 92 | 142.3 Ų | 142.3 | 64% | 0.643 | 78% | 0.78 | S | S | * | * | | | trans | -59.8 | 131.1 | 173.9 | 58.1 | 0 | 0 | 0 | 0 | 108.7 | V101 R105 | V101-S103 VanDerWaalsContact C-N 3.35Å; V101-S103 PolarHBondContact O-N 3Å; S103-R105 VanDerWaalsContact C-N 3.32Å; S103-R105 PolarHBondContact O-N 3.04Å |
| 104 | K | 60.2 | Low | 59.3 | Low | 215 Ų | 215 | 139.5 Ų | 139.5 | 94% | 0.935 | 78% | 0.778 | S | S | * | * | | | trans | -68.4 | 91 | 179.3 | -156.8 | 175.6 | -173.6 | -179.7 | 0 | 107.3 | R102 A106 | R102-K104 PolarHBondContact O-N 3Å; K104-A106 PolarHBondContact O-N 3.05Å |
| 105 | R | 52.5 | Low | 58.9 | Low | 205 Ų | 205 | 139.6 Ų | 139.6 | 77% | 0.774 | 78% | 0.776 | S | S | * | * | | | trans | -63.8 | 123.9 | 172.4 | -75.4 | -164 | -80 | 174.6 | -5.2 | 108 | S103 S107 | S103-R105 VanDerWaalsContact C-N 3.32Å; S103-R105 PolarHBondContact O-N 3.04Å; R105-S107 PolarHBondContact O-N 2.95Å |
| 106 | A | 54.3 | Low | 58.6 | Low | 96 Ų | 96 | 141.4 Ų | 141.4 | 79% | 0.793 | 78% | 0.78 | S | S | * | * | | | trans | -53.1 | 135.1 | 169.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | K104 G108 | K104-A106 PolarHBondContact O-N 3.05Å; A106-G108 PolarHBondContact O-N 2.86Å; A106-G108 VanDerWaalsContact O-N 3.08Å |
| 107 | S | 60.6 | Low | 58.5 | Low | 136 Ų | 136 | 141.9 Ų | 141.9 | 95% | 0.951 | 78% | 0.778 | S | S | * | * | S | Bend | trans | -62.6 | 107.3 | 178 | 179 | 0 | 0 | 0 | 0 | 109.4 | R105 | R105-S107 PolarHBondContact O-N 2.95Š|
| 108 | G | 52.4 | Low | 58.6 | Low | 66 Ų | 66 | 144.4 Ų | 144.4 | 68% | 0.68 | 79% | 0.787 | S | S | * | * | | | trans | 157.5 | 63.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | A106 | A106-G108 PolarHBondContact O-N 2.86Å; A106-G108 VanDerWaalsContact O-N 3.08Å |
| 109 | S | 53.8 | Low | 58.5 | Low | 120 Ų | 120 | 147.4 Ų | 147.4 | 84% | 0.839 | 79% | 0.794 | S | S | * | * | S | Bend | trans | 172.9 | 148.3 | 145.9 | 38.5 | 0 | 0 | 0 | 0 | 110.2 | | |
| 110 | S | 59.7 | Low | 58.2 | Low | 89 Ų | 89 | 146.8 Ų | 146.8 | 62% | 0.622 | 80% | 0.801 | S | S | * | * | | | trans | -35.5 | 157.2 | -166.8 | 54.8 | 0 | 0 | 0 | 0 | 119 | Q112 | S110-Q112 VanDerWaalsContact C-N 3.34Å; S110-Q112 PolarHBondContact O-N 3.33Å |
| 111 | P | 49.7 | Very low | 58.1 | Low | 128 Ų | 128 | 143.6 Ų | 143.6 | 83% | 0.831 | 79% | 0.79 | S | S | * | * | | | trans | -73.2 | 91.1 | 173.9 | 31.9 | -31.2 | 0 | 0 | 0 | 108.7 | Q113 | P111-Q113 VanDerWaalsContact C-N 3.33Å; P111-Q113 PolarHBondContact O-N 2.71Å |
| 112 | Q | 54.2 | Low | 58 | Low | 152 Ų | 152 | 144.8 Ų | 144.8 | 71% | 0.71 | 79% | 0.791 | S | S | * | * | | | trans | -66.2 | 99.9 | 162.6 | -98.9 | 162.1 | -18.7 | 0 | 0 | 107.7 | S110 T114 | S110-Q112 VanDerWaalsContact C-N 3.34Å; S110-Q112 PolarHBondContact O-N 3.33Å; Q112-T114 PolarHBondContact O-N 2.88Å; Q112-T114 PolarHBondContact O-OG1 3.14Å; Q112-T114 VanDerWaalsContact O-OG1 3.05Å |
| 113 | Q | 55.5 | Low | 57.6 | Low | 193 Ų | 193 | 138.5 Ų | 138.5 | 90% | 0.902 | 78% | 0.782 | S | S | * | * | | | trans | -55 | 85.5 | 169.3 | -170.3 | 176.7 | 5.1 | 0 | 0 | 108.5 | P111 K115 | P111-Q113 VanDerWaalsContact C-N 3.33Å; P111-Q113 PolarHBondContact O-N 2.71Å; Q113-K115 VanDerWaalsContact C-N 3.35Å; Q113-K115 PolarHBondContact O-N 3.3Å |
| 114 | T | 54.2 | Low | 57.5 | Low | 117 Ų | 117 | 139.8 Ų | 139.8 | 72% | 0.718 | 79% | 0.79 | S | S | * | * | | | trans | -79.8 | 94 | 177.1 | 6.3 | 0 | 0 | 0 | 0 | 105.4 | Q112 L116 | Q112-T114 PolarHBondContact O-N 2.88Å; Q112-T114 PolarHBondContact O-OG1 3.14Å; Q112-T114 VanDerWaalsContact O-OG1 3.05Å; T114-L116 PolarHBondContact O-N 2.88Å |
| 115 | K | 61.1 | Low | 57.4 | Low | 178 Ų | 178 | 136.9 Ų | 136.9 | 77% | 0.774 | 78% | 0.784 | S | S | * | * | | | trans | -47.9 | 103.6 | 170.7 | -177 | 178.1 | -178.6 | 177.5 | 0 | 107.9 | Q113 Q117 | Q113-K115 VanDerWaalsContact C-N 3.35Å; Q113-K115 PolarHBondContact O-N 3.3Å; K115-Q117 PolarHBondContact O-N 2.82Å |
| 116 | L | 64.9 | Low | 57.7 | Low | 154 Ų | 154 | 136.3 Ų | 136.3 | 81% | 0.806 | 78% | 0.783 | S | S | * | * | | | trans | -67.3 | 86.4 | 171.6 | -66.8 | 172.5 | 0 | 0 | 0 | 107.1 | T114 L118 | T114-L116 PolarHBondContact O-N 2.88Å; L116-L118 PolarHBondContact O-N 2.74Å |
| 117 | Q | 62.1 | Low | 57.8 | Low | 159 Ų | 159 | 139.4 Ų | 139.4 | 74% | 0.743 | 79% | 0.787 | S | S | * | * | | | trans | -65.9 | 90.9 | 157.5 | -93 | 179.5 | -32 | 0 | 0 | 106.2 | K115 F119 | K115-Q117 PolarHBondContact O-N 2.82Å; Q117-F119 PolarHBondContact O-N 2.8Å; Q117-F119 VanDerWaalsContact O-N 3.09Å |
| 118 | L | 63.5 | Low | 57.7 | Low | 156 Ų | 156 | 140.7 Ų | 140.7 | 82% | 0.817 | 78% | 0.778 | S | S | * | * | | | trans | -55.7 | 114 | 167.5 | -74.4 | 161.4 | 0 | 0 | 0 | 107.1 | L116 S120 | L116-L118 PolarHBondContact O-N 2.74Å; L118-S120 PolarHBondContact O-N 2.91Å |
| 119 | F | 60.4 | Low | 58 | Low | 205 Ų | 205 | 141.4 Ų | 141.4 | 90% | 0.899 | 77% | 0.772 | S | S | * | * | | | trans | -62.5 | 102.6 | 170.2 | -108.1 | -97.6 | 0 | 0 | 0 | 107.9 | Q117 G121 | Q117-F119 PolarHBondContact O-N 2.8Å; Q117-F119 VanDerWaalsContact O-N 3.09Å; F119-G121 PolarHBondContact O-N 3.44Å |
| 120 | S | 59.5 | Low | 58.2 | Low | 125 Ų | 125 | 142.3 Ų | 142.3 | 87% | 0.874 | 77% | 0.767 | S | S | * | * | | | trans | -86.1 | 47.2 | 171 | 58.8 | 0 | 0 | 0 | 0 | 110.9 | L118 | L118-S120 PolarHBondContact O-N 2.91Š|
| 121 | G | 56.5 | Low | 57.9 | Low | 54 Ų | 54 | 147.3 Ų | 147.3 | 56% | 0.557 | 78% | 0.778 | S | S | * | * | | | trans | -116.2 | 91.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | F119 | F119-G121 PolarHBondContact O-N 3.44Š|
| 122 | L | 60.8 | Low | 58.1 | Low | 160 Ų | 160 | 147.2 Ų | 147.2 | 84% | 0.838 | 78% | 0.775 | S | S | * | * | | | trans | -64.4 | 139.4 | 162.6 | -69.4 | 169.9 | 0 | 0 | 0 | 107.8 | S124 | L122-S124 PolarHBondContact O-N 3.23Š|
| 123 | P | 52.6 | Low | 58.1 | Low | 109 Ų | 109 | 145.8 Ų | 145.8 | 71% | 0.708 | 77% | 0.771 | S | S | * | * | | | trans | -66.2 | 103.3 | 163.2 | 27.4 | -28.7 | 0 | 0 | 0 | 106.6 | L125 | P123-L125 PolarHBondContact O-N 3.08Š|
| 124 | S | 58.2 | Low | 58 | Low | 118 Ų | 118 | 145.4 Ų | 145.4 | 83% | 0.825 | 77% | 0.766 | S | S | * | * | | | trans | -69.6 | 74 | 170.2 | 60.6 | 0 | 0 | 0 | 0 | 108.6 | L122 Y126 | L122-S124 PolarHBondContact O-N 3.23Å; S124-Y126 VanDerWaalsContact C-N 3.31Å; S124-Y126 PolarHBondContact O-N 3.04Å |
| 125 | L | 58.7 | Low | 58 | Low | 154 Ų | 154 | 147.5 Ų | 147.5 | 81% | 0.806 | 77% | 0.772 | S | S | * | * | | | trans | -72.3 | 94 | 167.1 | -91.4 | 154.3 | 0 | 0 | 0 | 107.3 | P123 | P123-L125 PolarHBondContact O-N 3.08Š|
| 126 | Y | 59.8 | Low | 57.6 | Low | 193 Ų | 193 | 144.7 Ų | 144.7 | 76% | 0.757 | 78% | 0.775 | S | S | * | * | | | trans | 54.3 | 90 | 146.9 | -153.5 | -98.4 | 0 | 0 | 0 | 116.2 | S124 | S124-Y126 VanDerWaalsContact C-N 3.31Å; S124-Y126 PolarHBondContact O-N 3.04Å |
| 127 | N | 55.7 | Low | 57.1 | Low | 161 Ų | 161 | 142.8 Ų | 142.8 | 86% | 0.861 | 78% | 0.775 | S | S | * | * | | | trans | -126.5 | 67.7 | 160.9 | -159 | -6.6 | 0 | 0 | 0 | 109.4 | | |
| 128 | E | 59.6 | Low | 56.9 | Low | 164 Ų | 164 | 143.6 Ų | 143.6 | 77% | 0.766 | 78% | 0.784 | S | S | * | * | | | trans | -129.1 | 68.9 | 168.5 | -164.3 | -175.9 | -173.4 | 0 | 0 | 109.3 | | |
| 129 | S | 58.5 | Low | 56.9 | Low | 81 Ų | 81 | 138.9 Ų | 138.9 | 57% | 0.566 | 77% | 0.774 | S | S | * | * | S | Bend | trans | -162.8 | 143.9 | 158.4 | -169.7 | 0 | 0 | 0 | 0 | 107.9 | | |
| 130 | L | 57.9 | Low | 56.8 | Low | 138 Ų | 138 | 135.5 Ų | 135.5 | 72% | 0.723 | 77% | 0.772 | S | S | * | * | S | Bend | trans | 96.5 | 22.4 | -176.6 | -47.8 | -179.3 | 0 | 0 | 0 | 118 | I133 | L130-I133 HydrophobicContact CD2-CD1 4.25Š|
| 131 | K | 51.7 | Low | 56.5 | Low | 195 Ų | 195 | 134.8 Ų | 134.8 | 85% | 0.848 | 77% | 0.767 | S | S | * | * | S | Bend | trans | -117 | -1.7 | 162.2 | -104.1 | -176.3 | 179.6 | -179.8 | 0 | 116.3 | | |
| 132 | T | 54 | Low | 56.4 | Low | 126 Ų | 126 | 137.3 Ų | 137.3 | 77% | 0.773 | 77% | 0.774 | S | S | * | * | S | Bend | trans | -107.4 | 4.3 | -176.5 | 43.3 | 0 | 0 | 0 | 0 | 115.2 | | |
| 133 | I | 56.1 | Low | 55.8 | Low | 121 Ų | 121 | 136.8 Ų | 136.8 | 62% | 0.621 | 77% | 0.771 | S | S | * | * | S | Bend | trans | -87.5 | -13.3 | 179.6 | -45.3 | 179.1 | 0 | 0 | 0 | 112.5 | L130 | L130-I133 HydrophobicContact CD2-CD1 4.25Š|
| 134 | F | 53.1 | Low | 55.9 | Low | 185 Ų | 185 | 141.6 Ų | 141.6 | 81% | 0.811 | 78% | 0.781 | S | S | * | * | S | Bend | trans | -116.6 | 4 | -168 | -74.9 | -72.3 | 0 | 0 | 0 | 117.4 | | |
| 135 | L | 54.2 | Low | 55.8 | Low | 162 Ų | 162 | 143.4 Ų | 143.4 | 85% | 0.848 | 78% | 0.78 | S | S | * | * | S | Bend | trans | -137.1 | 7.9 | -175.7 | -71 | 173.6 | 0 | 0 | 0 | 117.1 | | |
| 136 | S | 52.7 | Low | 55.9 | Low | 119 Ų | 119 | 141.1 Ų | 141.1 | 83% | 0.832 | 78% | 0.777 | S | S | * | * | | | trans | -120.8 | 76.3 | 171.7 | -64.9 | 0 | 0 | 0 | 0 | 110.7 | | |
| 137 | S | 53.1 | Low | 55.6 | Low | 114 Ų | 114 | 139.7 Ų | 139.7 | 80% | 0.797 | 78% | 0.781 | S | S | * | * | | | trans | -109.8 | 50.6 | 169.1 | 176.3 | 0 | 0 | 0 | 0 | 110.4 | | |
| 138 | D | 58.2 | Low | 55.1 | Low | 175 Ų | 175 | 137.6 Ų | 137.6 | 94% | 0.936 | 78% | 0.777 | S | S | * | * | | | trans | -135.5 | 55.3 | 168.2 | -84.3 | -36.7 | 0 | 0 | 0 | 110.1 | | |
| 139 | G | 63.8 | Low | 55.3 | Low | 58 Ų | 58 | 135.4 Ų | 135.4 | 60% | 0.598 | 78% | 0.777 | S | S | * | * | S | Bend | trans | -146 | 138.6 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | S141 | G139-S141 PolarHBondContact O-N 2.72Š|
| 140 | P | 58.3 | Low | 54.8 | Low | 133 Ų | 133 | 140.8 Ų | 140.8 | 86% | 0.864 | 82% | 0.815 | S | S | * | * | | | trans | -64.5 | 124.3 | -172.4 | 25.6 | -31.9 | 0 | 0 | 0 | 110.9 | | |
| 141 | S | 53.2 | Low | 54.6 | Low | 111 Ų | 111 | 141 Ų | 141 | 78% | 0.776 | 82% | 0.82 | S | S | * | * | | | trans | -45.2 | 124.9 | 177.6 | 172.6 | 0 | 0 | 0 | 0 | 113 | G139 | G139-S141 PolarHBondContact O-N 2.72Š|
| 142 | P | 53.4 | Low | 54.8 | Low | 107 Ų | 107 | 138.1 Ų | 138.1 | 70% | 0.695 | 82% | 0.819 | S | S | * | * | | | trans | -93.5 | 141.5 | 165.8 | 36 | -28.6 | 0 | 0 | 0 | 109.8 | | |
| 143 | L | 49.2 | Very low | 54.8 | Low | 149 Ų | 149 | 138.8 Ų | 138.8 | 78% | 0.78 | 82% | 0.821 | S | S | * | * | | | trans | 91 | 74.1 | 166.2 | -52.2 | 166.6 | 0 | 0 | 0 | 115.9 | L145 | L143-L145 PolarHBondContact O-N 2.94Å; L143-L145 VanDerWaalsContact O-N 3.12Å |
| 144 | K | 54.4 | Low | 54.8 | Low | 209 Ų | 209 | 139.8 Ų | 139.8 | 91% | 0.909 | 83% | 0.833 | S | S | * | * | | | trans | -49.1 | 108.3 | 140.8 | -79 | -173.1 | 172.7 | -179.8 | 0 | 109.2 | | |
| 145 | L | 56.5 | Low | 54.9 | Low | 157 Ų | 157 | 137 Ų | 137 | 82% | 0.822 | 83% | 0.834 | S | S | * | * | | | trans | -93.5 | 103.8 | 154.4 | -66.1 | 178.4 | 0 | 0 | 0 | 106.4 | L143 I147 | L143-L145 PolarHBondContact O-N 2.94Å; L143-L145 VanDerWaalsContact O-N 3.12Å; L145-I147 PolarHBondContact O-N 3.11Å |
| 146 | S | 60.1 | Low | 54.9 | Low | 106 Ų | 106 | 135.3 Ų | 135.3 | 74% | 0.741 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -58 | 128.3 | 174.9 | 50 | 0 | 0 | 0 | 0 | 110.2 | | |
| 147 | I | 53.9 | Low | 55.1 | Low | 162 Ų | 162 | 136.5 Ų | 136.5 | 83% | 0.831 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -75.5 | 120.4 | 168.3 | -63.5 | 162.6 | 0 | 0 | 0 | 107.3 | L145 | L145-I147 PolarHBondContact O-N 3.11Š|
| 148 | C | 45.6 | Very low | 55.2 | Low | 117 Ų | 117 | 138.2 Ų | 138.2 | 79% | 0.791 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -103.8 | 126.9 | 162.6 | -73.6 | 0 | 0 | 0 | 0 | 108.6 | | |
| 149 | P | 63 | Low | 55 | Low | 118 Ų | 118 | 135.2 Ų | 135.2 | 77% | 0.766 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -100.9 | 130.3 | 162.7 | 33.9 | -23.8 | 0 | 0 | 0 | 110.6 | | |
| 150 | S | 48.3 | Very low | 54.2 | Low | 195 Ų | 195 | 142.2 Ų | 142.2 | 100% | 1.364 | 85% | 0.849 | S | S | * | * | | | trans | -165.9 | 0 | 144.8 | 66.9 | 0 | 0 | 0 | 0 | 109.5 | | |