| 1 | M | 35.6 | Very low | 39.6 | Very low | 236 Ų | 236 | 147.7 Ų | 147.7 | 100% | 1.163 | 76% | 0.759 | S | S | * | * | | | | 0 | 113.6 | 0 | -165.2 | 173.5 | -167.2 | 0 | 0 | 106 | | |
| 2 | Y | 35.6 | Very low | 39.3 | Very low | 185 Ų | 185 | 140.3 Ų | 140.3 | 73% | 0.725 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -101 | 125.5 | -178.4 | -74.9 | -76.6 | 0 | 0 | 0 | 109.3 | L153 | Y2-L153 HydrophobicContact CE1-CD1 3.92Å; Y2-L153 HydrophobicContact CE1-CD2 4.14Å |
| 3 | L | 33.9 | Very low | 39.1 | Very low | 117 Ų | 117 | 136.2 Ų | 136.2 | 61% | 0.613 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -87 | 116.2 | 172.2 | -133 | 77.9 | 0 | 0 | 0 | 108 | F5 | L3-F5 HydrophobicContact CB-CE2 4.23Å; L3-F5 HydrophobicContact CB-CZ 4.19Å; L3-F5 HydrophobicContact CD2-CE1 3.8Å; L3-F5 HydrophobicContact CD2-CZ 3.73Å; L3-F5 HydrophobicContact CG-CZ 4.49Å |
| 4 | N | 31.6 | Very low | 39.3 | Very low | 151 Ų | 151 | 139.2 Ų | 139.2 | 81% | 0.807 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -89.9 | 120.8 | 171.4 | -77.2 | -47.4 | 0 | 0 | 0 | 108.8 | | |
| 5 | F | 38.1 | Very low | 40 | Very low | 150 Ų | 150 | 134.5 Ų | 134.5 | 66% | 0.658 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -94.8 | 129.1 | 173.3 | -55.9 | -86.5 | 0 | 0 | 0 | 109.5 | L3 | L3-F5 HydrophobicContact CB-CE2 4.23Å; L3-F5 HydrophobicContact CB-CZ 4.19Å; L3-F5 HydrophobicContact CD2-CE1 3.8Å; L3-F5 HydrophobicContact CD2-CZ 3.73Å; L3-F5 HydrophobicContact CG-CZ 4.49Å |
| 6 | S | 40.9 | Very low | 40.4 | Very low | 106 Ų | 106 | 133.8 Ų | 133.8 | 74% | 0.741 | 73% | 0.733 | S | S | * | * | | | trans | -109.6 | 114 | 174.8 | -66.7 | 0 | 0 | 0 | 0 | 110 | I8 | S6-I8 PolarHBondContact O-N 3.33Š|
| 7 | I | 47.6 | Very low | 41 | Very low | 150 Ų | 150 | 131.9 Ų | 131.9 | 77% | 0.769 | 73% | 0.729 | S | S | * | * | | | trans | -83.1 | 104.3 | 174.5 | -56.7 | 176.3 | 0 | 0 | 0 | 108.5 | V9 | I7-V9 HydrophobicContact CG2-CG2 4.04Å; I7-V9 PolarHBondContact O-N 2.95Å |
| 8 | I | 43.1 | Very low | 41.5 | Very low | 131 Ų | 131 | 131.3 Ų | 131.3 | 67% | 0.672 | 72% | 0.723 | S | S | * | * | | | trans | -87.3 | 91.6 | 175 | -49 | 178.2 | 0 | 0 | 0 | 109.2 | S6 H10 | S6-I8 PolarHBondContact O-N 3.33Å; I8-H10 PolarHBondContact O-N 2.84Å; I8-H10 PolarHBondContact O-ND1 2.94Å |
| 9 | V | 46.7 | Very low | 42 | Very low | 110 Ų | 110 | 134.8 Ų | 134.8 | 67% | 0.667 | 73% | 0.725 | S | S | * | * | | | trans | -69.9 | 99.2 | 171.3 | -175 | 0 | 0 | 0 | 0 | 108.9 | I7 T11 | I7-V9 HydrophobicContact CG2-CG2 4.04Å; I7-V9 PolarHBondContact O-N 2.95Å; V9-T11 HydrophobicContact CG1-CG2 4.18Å; V9-T11 PolarHBondContact O-N 3.48Å |
| 10 | H | 38.9 | Very low | 42.4 | Very low | 161 Ų | 161 | 132.7 Ų | 132.7 | 75% | 0.745 | 71% | 0.713 | S | S | * | * | | | trans | -72.3 | 91.9 | 169.5 | -78 | 62.3 | 0 | 0 | 0 | 109.1 | I8 G12 | I8-H10 PolarHBondContact O-N 2.84Å; I8-H10 PolarHBondContact O-ND1 2.94Å; H10-G12 PolarHBondContact O-N 3.29Å |
| 11 | T | 43.3 | Very low | 42.8 | Very low | 128 Ų | 128 | 129.7 Ų | 129.7 | 79% | 0.785 | 70% | 0.702 | S | S | * | * | | | trans | -73.8 | 63.6 | 159.6 | 53.2 | 0 | 0 | 0 | 0 | 109.1 | V9 G13 | V9-T11 HydrophobicContact CG1-CG2 4.18Å; V9-T11 PolarHBondContact O-N 3.48Å; T11-G13 PolarHBondContact O-N 3.25Å; T11-G13 VanDerWaalsContact O-N 3.13Å |
| 12 | G | 36.5 | Very low | 43.6 | Very low | 59 Ų | 59 | 121.4 Ų | 121.4 | 61% | 0.608 | 67% | 0.668 | S | S | * | * | | | trans | -59.9 | 113.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 108.9 | H10 E14 | H10-G12 PolarHBondContact O-N 3.29Å; G12-E14 PolarHBondContact O-N 3Å |
| 13 | G | 36.7 | Very low | 44.3 | Very low | 86 Ų | 86 | 115.5 Ų | 115.5 | 89% | 0.887 | 66% | 0.657 | S | S | * | * | S | Bend | trans | -71.2 | 27.3 | -169.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | T11 | T11-G13 PolarHBondContact O-N 3.25Å; T11-G13 VanDerWaalsContact O-N 3.13Å |
| 14 | E | 41.1 | Very low | 45.1 | Very low | 179 Ų | 179 | 116 Ų | 116 | 84% | 0.836 | 66% | 0.656 | S | S | * | * | S | Bend | trans | -126.6 | 101.2 | 174.6 | -66.7 | -172.7 | 173.7 | 0 | 0 | 108.3 | G12 H16 | G12-E14 PolarHBondContact O-N 3Å; E14-H16 PolarHBondContact O-N 3.04Å; E14-H16 VanDerWaalsContact O-N 3.11Å |
| 15 | S | 50.1 | Low | 46.3 | Very low | 69 Ų | 69 | 112 Ų | 112 | 48% | 0.483 | 64% | 0.644 | S | S | . | * | | | trans | -58.6 | 116.2 | 170.9 | 55 | 0 | 0 | 0 | 0 | 108.8 | N20 | S15-N20 PolarHBondContact OG-ND2 3.45Š|
| 16 | H | 46.9 | Very low | 47 | Very low | 122 Ų | 122 | 109.7 Ų | 109.7 | 57% | 0.565 | 64% | 0.635 | S | S | * | * | | | trans | -47.4 | 130.2 | 178.9 | -138.2 | -84.1 | 0 | 0 | 0 | 109.3 | E14 L18 W19 | E14-H16 PolarHBondContact O-N 3.04Å; E14-H16 VanDerWaalsContact O-N 3.11Å; H16-L18 PolarHBondContact O-N 2.91Å; H16-W19 HydrophobicContact CB-CG 4.3Å; H16-W19 WeakPolarHBondContact O-CB 3.26Å; H16-W19 PolarHBondContact O-N 3.32Å |
| 17 | P | 50.4 | Low | 47.6 | Very low | 102 Ų | 102 | 108 Ų | 108 | 66% | 0.662 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -58 | -28 | -168.8 | 16.7 | -30.4 | 0 | 0 | 0 | 113.6 | W19 N20 S21 | P17-W19 VanDerWaalsContact C-N 3.31Å; P17-W19 PolarHBondContact O-N 3.33Å; P17-N20 PolarHBondContact O-N 3.44Å; P17-S21 PolarHBondContact O-N 2.92Å; P17-S21 PolarHBondContact O-OG 3.42Å |
| 18 | L | 50.3 | Low | 47.9 | Very low | 121 Ų | 121 | 107.8 Ų | 107.8 | 63% | 0.634 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -66.6 | -25.4 | 174.7 | -63.8 | 172.2 | 0 | 0 | 0 | 114.2 | H16 S21 S22 | H16-L18 PolarHBondContact O-N 2.91Å; L18-S21 VanDerWaalsContact C-OG 3.31Å; L18-S21 WeakPolarHBondContact CA-OG 3.37Å; L18-S21 PolarHBondContact O-OG 3.28Å; L18-S22 PolarHBondContact O-N 3.43Å |
| 19 | W | 50 | Low | 48.3 | Very low | 198 Ų | 198 | 111.8 Ų | 111.8 | 75% | 0.75 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -80.2 | -36.1 | 179.4 | -71 | 19.9 | 0 | 0 | 0 | 111.3 | H16 P17 S22 A23 | H16-W19 HydrophobicContact CB-CG 4.3Å; H16-W19 WeakPolarHBondContact O-CB 3.26Å; H16-W19 PolarHBondContact O-N 3.32Å; P17-W19 VanDerWaalsContact C-N 3.31Å; P17-W19 PolarHBondContact O-N 3.33Å; W19-S22 PolarHBondContact O-N 2.81Å; W19-A23 PolarHBondContact O-N 2.85Å; W19-A23 VanDerWaalsContact O-N 3.13Å |
| 20 | N | 49.7 | Very low | 48.7 | Very low | 92 Ų | 92 | 113.9 Ų | 113.9 | 49% | 0.492 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -64.2 | -41.4 | 172 | -87 | -14.9 | 0 | 0 | 0 | 112.1 | S15 P17 S22 A23 Q24 | S15-N20 PolarHBondContact OG-ND2 3.45Å; P17-N20 PolarHBondContact O-N 3.44Å; N20-S22 VanDerWaalsContact C-N 3.27Å; N20-S22 PolarHBondContact O-N 2.98Å; N20-A23 PolarHBondContact O-N 3.03Å; N20-Q24 WeakPolarHBondContact O-CB 3.35Å; N20-Q24 PolarHBondContact O-N 2.79Å |
| 21 | S | 51.4 | Low | 49.6 | Very low | 70 Ų | 70 | 115 Ų | 115 | 49% | 0.49 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -62.4 | -32.3 | 176.6 | 46.2 | 0 | 0 | 0 | 0 | 113.5 | P17 L18 A25 | P17-S21 PolarHBondContact O-N 2.92Å; P17-S21 PolarHBondContact O-OG 3.42Å; L18-S21 VanDerWaalsContact C-OG 3.31Å; L18-S21 WeakPolarHBondContact CA-OG 3.37Å; L18-S21 PolarHBondContact O-OG 3.28Å; S21-A25 PolarHBondContact O-N 2.86Å |
| 22 | S | 52.6 | Low | 50.5 | Low | 62 Ų | 62 | 118.1 Ų | 118.1 | 43% | 0.434 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -71.5 | -50.2 | 175.5 | -172.7 | 0 | 0 | 0 | 0 | 111.5 | L18 W19 N20 Q24 A25 H26 | L18-S22 PolarHBondContact O-N 3.43Å; W19-S22 PolarHBondContact O-N 2.81Å; N20-S22 VanDerWaalsContact C-N 3.27Å; N20-S22 PolarHBondContact O-N 2.98Å; S22-Q24 VanDerWaalsContact C-N 3.27Å; S22-Q24 PolarHBondContact O-N 3.5Å; S22-A25 PolarHBondContact O-N 3.38Å; S22-H26 PolarHBondContact O-CD2 3.37Å; S22-H26 VanDerWaalsContact O-CD2 3.29Å; S22-H26 PolarHBondContact O-N 3.24Å; S22-H26 VanDerWaalsContact O-N 3.16Å |
| 23 | A | 49.5 | Very low | 51.8 | Low | 61 Ų | 61 | 120.9 Ų | 120.9 | 50% | 0.504 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -58.6 | -37.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | W19 N20 H26 S27 | W19-A23 PolarHBondContact O-N 2.85Å; W19-A23 VanDerWaalsContact O-N 3.13Å; N20-A23 PolarHBondContact O-N 3.03Å; A23-H26 PolarHBondContact O-N 3.25Å; A23-S27 PolarHBondContact O-N 2.95Å |
| 24 | Q | 52.5 | Low | 53.5 | Low | 127 Ų | 127 | 123.8 Ų | 123.8 | 59% | 0.593 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -73.1 | -36.7 | 178.8 | -169.5 | 168.2 | -14.3 | 0 | 0 | 113.1 | N20 S22 H26 S27 | N20-Q24 WeakPolarHBondContact O-CB 3.35Å; N20-Q24 PolarHBondContact O-N 2.79Å; S22-Q24 VanDerWaalsContact C-N 3.27Å; S22-Q24 PolarHBondContact O-N 3.5Å; Q24-H26 PolarHBondContact O-N 2.99Å; Q24-S27 PolarHBondContact O-N 3.03Å; Q24-S27 PolarHBondContact O-OG 3.39Å |
| 25 | A | 55.5 | Low | 55 | Low | 67 Ų | 67 | 120.9 Ų | 120.9 | 55% | 0.554 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -66.6 | -27.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | S21 S22 | S21-A25 PolarHBondContact O-N 2.86Å; S22-A25 PolarHBondContact O-N 3.38Å |
| 26 | H | 52.5 | Low | 56.1 | Low | 102 Ų | 102 | 124.9 Ų | 124.9 | 47% | 0.472 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -76 | -36.1 | 175.5 | -83.9 | -76.5 | 0 | 0 | 0 | 113.2 | S22 A23 Q24 R29 F30 | S22-H26 PolarHBondContact O-CD2 3.37Å; S22-H26 VanDerWaalsContact O-CD2 3.29Å; S22-H26 PolarHBondContact O-N 3.24Å; S22-H26 VanDerWaalsContact O-N 3.16Å; A23-H26 PolarHBondContact O-N 3.25Å; Q24-H26 PolarHBondContact O-N 2.99Å; H26-R29 PolarHBondContact O-N 3.44Å; H26-F30 HydrophobicContact CB-CE2 4.39Å; H26-F30 WeakPolarHBondContact O-CD2 3.37Å |
| 27 | S | 53.2 | Low | 57.3 | Low | 72 Ų | 72 | 128.7 Ų | 128.7 | 50% | 0.503 | 66% | 0.661 | S | S | . | * | H | α-helix | trans | -68.1 | -38 | -175.9 | 64.1 | 0 | 0 | 0 | 0 | 113.5 | A23 Q24 R29 F30 | A23-S27 PolarHBondContact O-N 2.95Å; Q24-S27 PolarHBondContact O-N 3.03Å; Q24-S27 PolarHBondContact O-OG 3.39Å; S27-R29 PolarHBondContact O-N 3.16Å; S27-F30 PolarHBondContact O-N 3.21Å |
| 28 | E | 54.4 | Low | 58.2 | Low | 145 Ų | 145 | 132.4 Ų | 132.4 | 68% | 0.678 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.3 | -22.9 | 176 | -66.6 | -171.5 | 177.8 | 0 | 0 | 113.2 | | |
| 29 | R | 52.7 | Low | 59.2 | Low | 214 Ų | 214 | 132.5 Ų | 132.5 | 81% | 0.808 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83 | -12.3 | -179.4 | -139 | 175.1 | -170.9 | -172.5 | 1.9 | 113.7 | H26 S27 | H26-R29 PolarHBondContact O-N 3.44Å; S27-R29 PolarHBondContact O-N 3.16Å |
| 30 | F | 55 | Low | 60.4 | Low | 155 Ų | 155 | 129.3 Ų | 129.3 | 68% | 0.68 | 68% | 0.677 | S | S | * | * | | | trans | -104.9 | 45.4 | 178.3 | -64.3 | -64.8 | 0 | 0 | 0 | 113.1 | H26 S27 K32 | H26-F30 HydrophobicContact CB-CE2 4.39Å; H26-F30 WeakPolarHBondContact O-CD2 3.37Å; S27-F30 PolarHBondContact O-N 3.21Å; F30-K32 VanDerWaalsContact C-N 3.34Å; F30-K32 PolarHBondContact O-N 3.25Å |
| 31 | K | 56.7 | Low | 61.5 | Low | 185 Ų | 185 | 128.4 Ų | 128.4 | 80% | 0.804 | 68% | 0.682 | S | S | * | * | | | trans | -60.8 | 101.1 | 156.9 | -72.3 | -177.6 | 179.6 | 177.3 | 0 | 107.6 | | |
| 32 | K | 63.1 | Low | 62.6 | Low | 192 Ų | 192 | 131.7 Ų | 131.7 | 84% | 0.835 | 69% | 0.694 | S | S | * | * | P | Polyproline II helix | trans | -51.2 | 126.2 | 173.2 | -78.7 | -172.4 | 173.8 | -173.1 | 0 | 107.6 | F30 | F30-K32 VanDerWaalsContact C-N 3.34Å; F30-K32 PolarHBondContact O-N 3.25Å |
| 33 | P | 63.2 | Low | 63.6 | Low | 117 Ų | 117 | 134.9 Ų | 134.9 | 76% | 0.76 | 70% | 0.7 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 143.9 | 171.3 | 26.6 | -33.3 | 0 | 0 | 0 | 108.3 | | |
| 34 | D | 71.3 | Confident | 64.7 | Low | 147 Ų | 147 | 137 Ų | 137 | 79% | 0.786 | 71% | 0.707 | S | S | * | * | P | Polyproline II helix | trans | -52.4 | 140.1 | 175.6 | -75.1 | -47.1 | 0 | 0 | 0 | 109.7 | I36 | D34-I36 PolarHBondContact O-N 3.29Š|
| 35 | P | 74.2 | Confident | 65.7 | Low | 118 Ų | 118 | 138.6 Ų | 138.6 | 77% | 0.766 | 72% | 0.719 | S | S | * | * | | | trans | -56.3 | 114.2 | -179.5 | -20.6 | 29.9 | 0 | 0 | 0 | 109.5 | K37 | P35-K37 PolarHBondContact O-N 3.26Š|
| 36 | I | 73 | Confident | 66.3 | Low | 153 Ų | 153 | 141 Ų | 141 | 79% | 0.785 | 72% | 0.719 | S | S | * | * | | | trans | -56.2 | 116.2 | 174.4 | -60.6 | 174.8 | 0 | 0 | 0 | 106.3 | D34 K38 | D34-I36 PolarHBondContact O-N 3.29Å; I36-K38 PolarHBondContact O-N 3.05Å |
| 37 | K | 72.8 | Confident | 67.1 | Low | 203 Ų | 203 | 141.8 Ų | 141.8 | 88% | 0.883 | 73% | 0.733 | S | S | * | * | | | trans | -65.7 | 83.3 | 177.4 | -68.3 | -177.5 | -179.5 | 178.7 | 0 | 108.9 | P35 | P35-K37 PolarHBondContact O-N 3.26Š|
| 38 | K | 67.5 | Low | 67.9 | Low | 180 Ų | 180 | 147.3 Ų | 147.3 | 78% | 0.783 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 135.2 | 165 | -65.6 | -176.3 | -178.9 | 179.3 | 0 | 106.8 | I36 T40 | I36-K38 PolarHBondContact O-N 3.05Å; K38-T40 PolarHBondContact O-N 3.13Å |
| 39 | P | 72.5 | Confident | 68.4 | Low | 123 Ų | 123 | 143 Ų | 143 | 80% | 0.799 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 130.3 | 173.3 | 24 | -32.5 | 0 | 0 | 0 | 108.4 | A41 | P39-A41 PolarHBondContact O-N 3.36Š|
| 40 | T | 74.2 | Confident | 68.9 | Low | 131 Ų | 131 | 139.2 Ų | 139.2 | 80% | 0.804 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -54.6 | 137.2 | 170.5 | -48.6 | 0 | 0 | 0 | 0 | 107.9 | K38 D42 | K38-T40 PolarHBondContact O-N 3.13Å; T40-D42 PolarHBondContact O-N 3.2Å; T40-D42 VanDerWaalsContact O-N 3.08Å |
| 41 | A | 73.2 | Confident | 69.2 | Low | 72 Ų | 72 | 138.9 Ų | 138.9 | 60% | 0.595 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 120.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 108.4 | P39 F43 | P39-A41 PolarHBondContact O-N 3.36Å; A41-F43 HydrophobicContact CB-CE2 4.11Å; A41-F43 HydrophobicContact CB-CZ 4.49Å; A41-F43 WeakPolarHBondContact O-CD2 3.26Å; A41-F43 WeakPolarHBondContact O-CE2 3.3Å |
| 42 | D | 74.6 | Confident | 68.9 | Low | 139 Ų | 139 | 136.2 Ų | 136.2 | 74% | 0.743 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -89.2 | 117 | -178.5 | -160.6 | -6 | 0 | 0 | 0 | 108.3 | T40 V44 | T40-D42 PolarHBondContact O-N 3.2Å; T40-D42 VanDerWaalsContact O-N 3.08Å; D42-V44 HydrophobicContact CB-CG2 3.97Å; D42-V44 PolarHBondContact O-N 3.11Å; D42-V44 WeakPolarHBondContact OD1-CG2 3.37Å; D42-V44 WeakPolarHBondContact OD2-CG2 3.45Å |
| 43 | F | 73.6 | Confident | 68.3 | Low | 129 Ų | 129 | 137.5 Ų | 137.5 | 57% | 0.566 | 74% | 0.737 | S | S | * | * | | | trans | -83.2 | 30.8 | -169.4 | -71.5 | -103.5 | 0 | 0 | 0 | 112 | A41 D45 H46 | A41-F43 HydrophobicContact CB-CE2 4.11Å; A41-F43 HydrophobicContact CB-CZ 4.49Å; A41-F43 WeakPolarHBondContact O-CD2 3.26Å; A41-F43 WeakPolarHBondContact O-CE2 3.3Å; F43-D45 VanDerWaalsContact C-N 3.3Å; F43-D45 PolarHBondContact O-N 3.01Å; F43-H46 HydrophobicContact CB-CB 4.29Å; F43-H46 AromaticContact CD1-CD2 3.44Å; F43-H46 VanDerWaalsContact CD1-CD2 3.44Å; F43-H46 WeakPolarHBondContact CD1-CD2 3.44Å; F43-H46 AromaticContact CD1-CE1 3.5Å; F43-H46 VanDerWaalsContact CD1-CE1 3.5Å; F43-H46 WeakPolarHBondContact CD1-CE1 3.46Å; F43-H46 AromaticContact CD1-CG 3.65Å; F43-H46 AromaticContact CD1-ND1 3.69Å; F43-H46 AromaticContact CD1-NE2 3.33Å; F43-H46 VanDerWaalsContact CD1-NE2 3.33Å; F43-H46 WeakPolarHBondContact CD1-NE2 3.42Å; F43-H46 AromaticContact CE1-CE1 3.83Å; F43-H46 AromaticContact CE1-NE2 3.86Å; F43-H46 AromaticContact CG-CD2 3.94Å; F43-H46 WeakPolarHBondContact O-CB 3.05Å; F43-H46 PolarHBondContact O-N 3.31Å |
| 44 | V | 73.5 | Confident | 67.7 | Low | 107 Ų | 107 | 140.4 Ų | 140.4 | 65% | 0.648 | 74% | 0.74 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.2 | -39.5 | -171 | -167.6 | 0 | 0 | 0 | 0 | 112.7 | D42 | D42-V44 HydrophobicContact CB-CG2 3.97Å; D42-V44 PolarHBondContact O-N 3.11Å; D42-V44 WeakPolarHBondContact OD1-CG2 3.37Å; D42-V44 WeakPolarHBondContact OD2-CG2 3.45Å |
| 45 | D | 74 | Confident | 66.5 | Low | 159 Ų | 159 | 142.3 Ų | 142.3 | 85% | 0.85 | 74% | 0.742 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.8 | 5.9 | -179.3 | -68.2 | -31.9 | 0 | 0 | 0 | 113.7 | F43 | F43-D45 VanDerWaalsContact C-N 3.3Å; F43-D45 PolarHBondContact O-N 3.01Å |
| 46 | H | 66.9 | Low | 65.1 | Low | 117 Ų | 117 | 141.5 Ų | 141.5 | 54% | 0.542 | 74% | 0.737 | S | S | . | * | S | Bend | trans | -73.8 | 135.8 | 178.1 | -78.5 | -107.9 | 0 | 0 | 0 | 111 | F43 K48 | F43-H46 HydrophobicContact CB-CB 4.29Å; F43-H46 AromaticContact CD1-CD2 3.44Å; F43-H46 VanDerWaalsContact CD1-CD2 3.44Å; F43-H46 WeakPolarHBondContact CD1-CD2 3.44Å; F43-H46 AromaticContact CD1-CE1 3.5Å; F43-H46 VanDerWaalsContact CD1-CE1 3.5Å; F43-H46 WeakPolarHBondContact CD1-CE1 3.46Å; F43-H46 AromaticContact CD1-CG 3.65Å; F43-H46 AromaticContact CD1-ND1 3.69Å; F43-H46 AromaticContact CD1-NE2 3.33Å; F43-H46 VanDerWaalsContact CD1-NE2 3.33Å; F43-H46 WeakPolarHBondContact CD1-NE2 3.42Å; F43-H46 AromaticContact CE1-CE1 3.83Å; F43-H46 AromaticContact CE1-NE2 3.86Å; F43-H46 AromaticContact CG-CD2 3.94Å; F43-H46 WeakPolarHBondContact O-CB 3.05Å; F43-H46 PolarHBondContact O-N 3.31Å; H46-K48 PolarHBondContact O-N 3.33Å; H46-K48 VanDerWaalsContact O-N 3.14Å |
| 47 | P | 70 | Confident | 63.8 | Low | 119 Ų | 119 | 143.6 Ų | 143.6 | 77% | 0.773 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 124 | 176.4 | 25 | -33.4 | 0 | 0 | 0 | 109.2 | A49 | P47-A49 PolarHBondContact O-N 2.86Š|
| 48 | K | 68.7 | Low | 62.5 | Low | 188 Ų | 188 | 136.3 Ų | 136.3 | 82% | 0.817 | 72% | 0.718 | S | S | * | * | P | Polyproline II helix | trans | -47.4 | 129.2 | 177.9 | -175.1 | 178.2 | -177.1 | 179.5 | 0 | 109.8 | H46 V50 | H46-K48 PolarHBondContact O-N 3.33Å; H46-K48 VanDerWaalsContact O-N 3.14Å; K48-V50 VanDerWaalsContact O-CG2 3.27Å; K48-V50 WeakPolarHBondContact O-CG2 3.44Å; K48-V50 PolarHBondContact O-N 3.26Å |
| 49 | A | 66.7 | Low | 61.8 | Low | 54 Ų | 54 | 135 Ų | 135 | 45% | 0.446 | 72% | 0.715 | S | S | . | * | | | trans | -59.5 | 106 | -177.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | P47 N51 D52 | P47-A49 PolarHBondContact O-N 2.86Å; A49-N51 PolarHBondContact O-N 2.91Å; A49-D52 WeakPolarHBondContact CB-OD1 3.35Å |
| 50 | V | 61.5 | Low | 60.9 | Low | 135 Ų | 135 | 133.1 Ų | 133.1 | 82% | 0.818 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.8 | -11 | -176.5 | -168.9 | 0 | 0 | 0 | 0 | 111.6 | K48 | K48-V50 VanDerWaalsContact O-CG2 3.27Å; K48-V50 WeakPolarHBondContact O-CG2 3.44Å; K48-V50 PolarHBondContact O-N 3.26Å |
| 51 | N | 61.1 | Low | 59.9 | Low | 148 Ų | 148 | 131.2 Ų | 131.2 | 79% | 0.791 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.8 | 28.7 | -176.1 | -71.8 | -31.4 | 0 | 0 | 0 | 113.7 | A49 R53 | A49-N51 PolarHBondContact O-N 2.91Å; N51-R53 PolarHBondContact O-N 3.13Å |
| 52 | D | 52 | Low | 58.8 | Low | 129 Ų | 129 | 134.9 Ų | 134.9 | 69% | 0.69 | 69% | 0.692 | S | S | * | * | | | trans | -69.3 | 28.6 | 163.5 | -64.8 | -14.5 | 0 | 0 | 0 | 112 | A49 E54 | A49-D52 WeakPolarHBondContact CB-OD1 3.35Å; D52-E54 PolarHBondContact O-N 2.83Å |
| 53 | R | 49.1 | Very low | 57.8 | Low | 219 Ų | 219 | 131 Ų | 131 | 83% | 0.826 | 68% | 0.678 | S | S | * | * | | | trans | -71.8 | 95.7 | 179.6 | -168.9 | 177.9 | -157.1 | 155.2 | 6.5 | 107.4 | N51 F55 | N51-R53 PolarHBondContact O-N 3.13Å; R53-F55 PolarHBondContact O-N 2.88Å |
| 54 | E | 50.7 | Low | 56.8 | Low | 178 Ų | 178 | 133.6 Ų | 133.6 | 83% | 0.832 | 69% | 0.685 | S | S | * | * | | | trans | -13.6 | 95.5 | 166.2 | -63.2 | 174.9 | 149.6 | 0 | 0 | 111.3 | D52 P56 | D52-E54 PolarHBondContact O-N 2.83Å; E54-P56 VanDerWaalsContact O-CD 3.26Å; E54-P56 WeakPolarHBondContact O-CD 3.21Å |
| 55 | F | 47.8 | Very low | 55.6 | Low | 187 Ų | 187 | 137 Ų | 137 | 82% | 0.82 | 69% | 0.687 | S | S | * | * | | | trans | -57.7 | 117.9 | 167 | -104.2 | -90.1 | 0 | 0 | 0 | 105.2 | R53 Q57 | R53-F55 PolarHBondContact O-N 2.88Å; F55-Q57 PolarHBondContact O-N 3Å |
| 56 | P | 44.5 | Very low | 54.4 | Low | 102 Ų | 102 | 136.4 Ų | 136.4 | 66% | 0.662 | 68% | 0.677 | S | S | * | * | | | trans | -57.4 | 121.7 | 179.8 | 22.1 | -31.6 | 0 | 0 | 0 | 106.8 | E54 S58 | E54-P56 VanDerWaalsContact O-CD 3.26Å; E54-P56 WeakPolarHBondContact O-CD 3.21Å; P56-S58 PolarHBondContact O-N 3.28Å |
| 57 | Q | 44.9 | Very low | 53.4 | Low | 196 Ų | 196 | 135.2 Ų | 135.2 | 92% | 0.916 | 68% | 0.675 | S | S | * | * | | | trans | -70.8 | 57.9 | 177.1 | -68 | -171.2 | -11.1 | 0 | 0 | 109.8 | F55 E59 | F55-Q57 PolarHBondContact O-N 3Å; Q57-E59 PolarHBondContact O-N 2.93Å |
| 58 | S | 44.9 | Very low | 52.4 | Low | 50 Ų | 50 | 134.2 Ų | 134.2 | 35% | 0.35 | 67% | 0.666 | S | S | . | * | | | trans | -71 | 110.8 | 169.9 | 63.9 | 0 | 0 | 0 | 0 | 107.3 | P56 S60 N61 | P56-S58 PolarHBondContact O-N 3.28Å; S58-S60 PolarHBondContact O-N 2.94Å; S58-N61 PolarHBondContact O-N 3.27Å; S58-N61 PolarHBondContact OG-ND2 3.25Å |
| 59 | E | 52.5 | Low | 51.4 | Low | 154 Ų | 154 | 130.7 Ų | 130.7 | 72% | 0.72 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -55.1 | -25.1 | 178 | -63.9 | -145 | 116.7 | 0 | 0 | 112.3 | Q57 N61 K62 A63 | Q57-E59 PolarHBondContact O-N 2.93Å; E59-N61 VanDerWaalsContact C-N 3.27Å; E59-N61 PolarHBondContact O-N 3.01Å; E59-K62 VanDerWaalsContact O-CB 3.3Å; E59-K62 WeakPolarHBondContact O-CB 3.06Å; E59-K62 PolarHBondContact O-N 3Å; E59-A63 PolarHBondContact O-N 3.43Å |
| 60 | S | 54.4 | Low | 50.3 | Low | 82 Ų | 82 | 136.4 Ų | 136.4 | 57% | 0.573 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -48.7 | -40.2 | 169.3 | -166.3 | 0 | 0 | 0 | 0 | 114.1 | S58 | S58-S60 PolarHBondContact O-N 2.94Å |
| 61 | N | 53.9 | Low | 49.4 | Very low | 92 Ų | 92 | 134.9 Ų | 134.9 | 49% | 0.492 | 66% | 0.657 | S | S | . | * | H | α-helix | trans | -76.4 | -23.2 | 178.6 | -75.1 | -15.4 | 0 | 0 | 0 | 112.9 | S58 E59 Y65 | S58-N61 PolarHBondContact O-N 3.27Å; S58-N61 PolarHBondContact OG-ND2 3.25Å; E59-N61 VanDerWaalsContact C-N 3.27Å; E59-N61 PolarHBondContact O-N 3.01Å; N61-Y65 PolarHBondContact O-N 3.03Å |
| 62 | K | 49.9 | Very low | 48.6 | Very low | 149 Ų | 149 | 132.1 Ų | 132.1 | 65% | 0.648 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -75.5 | -26 | 177.7 | -154.1 | 175.5 | -171.8 | 176.2 | 0 | 112.3 | E59 | E59-K62 VanDerWaalsContact O-CB 3.3Å; E59-K62 WeakPolarHBondContact O-CB 3.06Å; E59-K62 PolarHBondContact O-N 3Å |
| 63 | A | 52.8 | Low | 48.2 | Very low | 56 Ų | 56 | 132.3 Ų | 132.3 | 46% | 0.463 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -72.6 | -50.6 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | E59 Y65 K66 D67 | E59-A63 PolarHBondContact O-N 3.43Å; A63-Y65 VanDerWaalsContact C-N 3.31Å; A63-Y65 PolarHBondContact O-N 3.36Å; A63-K66 PolarHBondContact O-N 2.98Å; A63-D67 PolarHBondContact O-N 3.21Å |
| 64 | R | 52.2 | Low | 47.6 | Very low | 185 Ų | 185 | 125.7 Ų | 125.7 | 70% | 0.698 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -58.7 | -37.8 | -177.1 | -78.3 | -174.5 | 162.2 | -170.6 | -6 | 113.8 | K66 D67 T68 | R64-K66 VanDerWaalsContact C-N 3.28Å; R64-K66 PolarHBondContact O-N 2.74Å; R64-D67 PolarHBondContact O-N 3.43Å; R64-T68 PolarHBondContact O-N 2.85Å; R64-T68 PolarHBondContact O-OG1 3Å |
| 65 | Y | 48.1 | Very low | 46.9 | Very low | 179 Ų | 179 | 125.2 Ų | 125.2 | 70% | 0.702 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -70.2 | -21.7 | 178.1 | -138.9 | -88.4 | 0 | 0 | 0 | 113.7 | N61 A63 L69 | N61-Y65 PolarHBondContact O-N 3.03Å; A63-Y65 VanDerWaalsContact C-N 3.31Å; A63-Y65 PolarHBondContact O-N 3.36Å; Y65-L69 HydrophobicContact CD1-CD1 4.47Å |
| 66 | K | 49.5 | Very low | 46.5 | Very low | 145 Ų | 145 | 124.1 Ų | 124.1 | 63% | 0.63 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -81.7 | -28 | 174.9 | -77.4 | -170.8 | 173 | -173.1 | 0 | 113.1 | A63 R64 R70 | A63-K66 PolarHBondContact O-N 2.98Å; R64-K66 VanDerWaalsContact C-N 3.28Å; R64-K66 PolarHBondContact O-N 2.74Å; K66-R70 PolarHBondContact O-N 3.46Å |
| 67 | D | 47.1 | Very low | 46 | Very low | 93 Ų | 93 | 122 Ų | 122 | 50% | 0.497 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -76.4 | -35.1 | 176.8 | -73.3 | -23.9 | 0 | 0 | 0 | 112 | A63 R64 L69 R70 T71 | A63-D67 PolarHBondContact O-N 3.21Å; R64-D67 PolarHBondContact O-N 3.43Å; D67-L69 PolarHBondContact O-N 3.25Å; D67-R70 PolarHBondContact O-N 2.87Å; D67-T71 PolarHBondContact O-N 3.47Å |
| 68 | T | 48.9 | Very low | 45.5 | Very low | 97 Ų | 97 | 121.2 Ų | 121.2 | 60% | 0.595 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -64.6 | -26.3 | 174.5 | -18.6 | 0 | 0 | 0 | 0 | 113.4 | R64 T71 | R64-T68 PolarHBondContact O-N 2.85Å; R64-T68 PolarHBondContact O-OG1 3Å; T68-T71 PolarHBondContact O-OG1 3.37Å |
| 69 | L | 47.6 | Very low | 45 | Very low | 114 Ų | 114 | 125 Ų | 125 | 60% | 0.597 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.7 | -9.2 | 174.2 | -71.3 | 169.1 | 0 | 0 | 0 | 113.4 | Y65 D67 | Y65-L69 HydrophobicContact CD1-CD1 4.47Å; D67-L69 PolarHBondContact O-N 3.25Å |
| 70 | R | 43 | Very low | 44 | Very low | 175 Ų | 175 | 126.3 Ų | 126.3 | 66% | 0.66 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.5 | -27.4 | 174.1 | -86.1 | 177.3 | 156 | 171.1 | -7.5 | 112.9 | K66 D67 N73 | K66-R70 PolarHBondContact O-N 3.46Å; D67-R70 PolarHBondContact O-N 2.87Å; R70-N73 PolarHBondContact O-N 3.42Å |
| 71 | T | 42.8 | Very low | 42.9 | Very low | 103 Ų | 103 | 125 Ų | 125 | 63% | 0.632 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.2 | -13.9 | -179.9 | 49.6 | 0 | 0 | 0 | 0 | 114.4 | D67 T68 | D67-T71 PolarHBondContact O-N 3.47Å; T68-T71 PolarHBondContact O-OG1 3.37Å |
| 72 | S | 45 | Very low | 41.9 | Very low | 89 Ų | 89 | 130.4 Ų | 130.4 | 62% | 0.622 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.9 | -4.9 | 171.9 | 60 | 0 | 0 | 0 | 0 | 113.9 | | |
| 73 | N | 42.4 | Very low | 40.9 | Very low | 133 Ų | 133 | 128.1 Ų | 128.1 | 71% | 0.711 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -121.1 | 87.2 | 178.7 | -89.7 | -16.3 | 0 | 0 | 0 | 111.3 | R70 Q75 | R70-N73 PolarHBondContact O-N 3.42Å; N73-Q75 PolarHBondContact O-N 3.29Å |
| 74 | G | 37.5 | Very low | 39.9 | Very low | 80 Ų | 80 | 130 Ų | 130 | 83% | 0.825 | 73% | 0.725 | S | S | * | * | | | trans | 76.1 | 14.2 | 147 | 0 | 0 | 0 | 0 | 0 | 119.2 | N76 | G74-N76 PolarHBondContact O-N 2.88Å; G74-N76 VanDerWaalsContact O-N 3.16Å |
| 75 | Q | 34.6 | Very low | 38.9 | Very low | 168 Ų | 168 | 126.2 Ų | 126.2 | 79% | 0.785 | 73% | 0.733 | S | S | * | * | | | trans | -84.7 | 79.4 | 168.6 | -76.9 | -164.6 | -33 | 0 | 0 | 112 | N73 | N73-Q75 PolarHBondContact O-N 3.29Š|
| 76 | N | 39.1 | Very low | 38 | Very low | 164 Ų | 164 | 120.6 Ų | 120.6 | 88% | 0.877 | 73% | 0.73 | S | S | * | * | | | trans | -148.7 | 118.9 | 156.7 | -138.3 | 1.7 | 0 | 0 | 0 | 112 | G74 | G74-N76 PolarHBondContact O-N 2.88Å; G74-N76 VanDerWaalsContact O-N 3.16Å |
| 77 | G | 35.3 | Very low | 37.2 | Very low | 58 Ų | 58 | 119.7 Ų | 119.7 | 60% | 0.598 | 74% | 0.738 | S | S | * | * | | | trans | 71.9 | 92 | 151.8 | 0 | 0 | 0 | 0 | 0 | 119.7 | | |
| 78 | L | 33.4 | Very low | 36.4 | Very low | 179 Ų | 179 | 121.3 Ų | 121.3 | 94% | 0.937 | 75% | 0.751 | S | S | * | * | | | | 48.2 | 88.8 | 121.5 | -63.2 | 158.9 | 0 | 0 | 0 | 118.8 | | |
| 79 | T | 35.5 | Very low | 35.5 | Very low | 130 Ų | 130 | 122.9 Ų | 122.9 | 80% | 0.798 | 76% | 0.761 | S | S | * | * | | | trans | -135.1 | 112.9 | 144.1 | 51.1 | 0 | 0 | 0 | 0 | 112.1 | G81 | T79-G81 PolarHBondContact O-N 3.03Å; T79-G81 VanDerWaalsContact O-N 3.15Å |
| 80 | N | 30.5 | Very low | 34.6 | Very low | 181 Ų | 181 | 123.4 Ų | 123.4 | 97% | 0.968 | 76% | 0.764 | S | S | * | * | | | trans | -71 | 98.6 | 155.6 | -86.3 | -19.6 | 0 | 0 | 0 | 107.5 | | |
| 81 | G | 32 | Very low | 33.9 | Very low | 54 Ų | 54 | 123.8 Ų | 123.8 | 56% | 0.557 | 77% | 0.773 | S | S | * | * | S | Bend | trans | 149.4 | 98.2 | 169.8 | 0 | 0 | 0 | 0 | 0 | 116.9 | T79 | T79-G81 PolarHBondContact O-N 3.03Å; T79-G81 VanDerWaalsContact O-N 3.15Å |
| 82 | K | 32.2 | Very low | 33.2 | Very low | 206 Ų | 206 | 123.3 Ų | 123.3 | 90% | 0.896 | 77% | 0.77 | S | S | * | * | | | | 55.7 | 105.3 | 126.9 | -162.1 | 177.6 | -175 | -178.5 | 0 | 118.8 | | |
| 83 | A | 29.9 | Very low | 32.4 | Very low | 101 Ų | 101 | 127.3 Ų | 127.3 | 84% | 0.835 | 79% | 0.785 | S | S | * | * | | | trans | 71.1 | 152.2 | 163.8 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 84 | A | 30.9 | Very low | 31.5 | Very low | 97 Ų | 97 | 124.2 Ų | 124.2 | 80% | 0.802 | 78% | 0.784 | S | S | * | * | | | cis | -136.5 | 171.9 | 4.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | G86 | A84-G86 PolarHBondContact O-N 2.78Š|
| 85 | A | 30.9 | Very low | 31 | Very low | 104 Ų | 104 | 126.6 Ų | 126.6 | 86% | 0.86 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 124.9 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 86 | G | 29.7 | Very low | 30.7 | Very low | 62 Ų | 62 | 127.4 Ų | 127.4 | 64% | 0.639 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -72.1 | 152.3 | 163.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | A84 V88 | A84-G86 PolarHBondContact O-N 2.78Å; G86-V88 PolarHBondContact O-N 2.96Å |
| 87 | P | 33.7 | Very low | 30 | Very low | 125 Ų | 125 | 123.4 Ų | 123.4 | 81% | 0.812 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -70.6 | 126.7 | -165 | 27 | -34.6 | 0 | 0 | 0 | 112.8 | V89 | P87-V89 PolarHBondContact O-N 3.08Š|
| 88 | V | 29.2 | Very low | 29.6 | Very low | 128 Ų | 128 | 128.5 Ų | 128.5 | 78% | 0.776 | 79% | 0.789 | S | S | * | * | | | trans | -67.4 | 115.6 | 165.3 | 176.4 | 0 | 0 | 0 | 0 | 108 | G86 N90 | G86-V88 PolarHBondContact O-N 2.96Å; V88-N90 VanDerWaalsContact C-N 3.3Å; V88-N90 HydrophobicContact CG1-CB 4.42Å; V88-N90 PolarHBondContact O-N 3.24Å |
| 89 | V | 30.9 | Very low | 29.2 | Very low | 130 Ų | 130 | 125.1 Ų | 125.1 | 79% | 0.788 | 78% | 0.781 | S | S | * | * | | | trans | -75.8 | 85.9 | 175.1 | -158.6 | 0 | 0 | 0 | 0 | 108.2 | P87 E91 | P87-V89 PolarHBondContact O-N 3.08Å; V89-E91 PolarHBondContact O-N 3.44Å |
| 90 | N | 28.5 | Very low | 28.8 | Very low | 124 Ų | 124 | 123.2 Ų | 123.2 | 66% | 0.663 | 78% | 0.778 | S | S | * | * | | | trans | -90.1 | 101.6 | -178.9 | -158.9 | 26.3 | 0 | 0 | 0 | 109.7 | V88 T92 | V88-N90 VanDerWaalsContact C-N 3.3Å; V88-N90 HydrophobicContact CG1-CB 4.42Å; V88-N90 PolarHBondContact O-N 3.24Å; N90-T92 PolarHBondContact ND2-OG1 3.49Å; N90-T92 PolarHBondContact O-N 2.76Å |
| 91 | E | 28.3 | Very low | 28.7 | Very low | 184 Ų | 184 | 121 Ų | 121 | 86% | 0.86 | 77% | 0.771 | S | S | * | * | | | trans | -71.5 | 71.9 | 179.2 | -65.3 | -170.8 | 165.5 | 0 | 0 | 111.8 | V89 | V89-E91 PolarHBondContact O-N 3.44Š|
| 92 | T | 28 | Very low | 28.5 | Very low | 92 Ų | 92 | 127.3 Ų | 127.3 | 56% | 0.564 | 79% | 0.786 | S | S | * | * | | | trans | -144.3 | 116.3 | 174.3 | 23.9 | 0 | 0 | 0 | 0 | 111 | N90 | N90-T92 PolarHBondContact ND2-OG1 3.49Å; N90-T92 PolarHBondContact O-N 2.76Å |
| 93 | N | 27.6 | Very low | 28.4 | Very low | 174 Ų | 174 | 123.3 Ų | 123.3 | 93% | 0.93 | 78% | 0.784 | S | S | * | * | S | Bend | trans | 9.7 | 105.6 | 155.7 | -58.1 | -24.9 | 0 | 0 | 0 | 117.9 | | |
| 94 | G | 24.6 | Very low | 28.2 | Very low | 67 Ų | 67 | 121.9 Ų | 121.9 | 69% | 0.691 | 78% | 0.779 | S | S | * | * | | | trans | 124.4 | 140.9 | 152.5 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 95 | V | 25.6 | Very low | 28.2 | Very low | 131 Ų | 131 | 125.3 Ų | 125.3 | 79% | 0.794 | 78% | 0.783 | S | S | * | * | | | trans | 46 | 94 | 152.5 | -165.2 | 0 | 0 | 0 | 0 | 116.9 | | |
| 96 | L | 28.1 | Very low | 27.9 | Very low | 185 Ų | 185 | 128.5 Ų | 128.5 | 97% | 0.969 | 79% | 0.786 | S | S | * | * | | | trans | -89.6 | 104 | 158 | -72.4 | 174.5 | 0 | 0 | 0 | 109.9 | | |
| 97 | S | 25.5 | Very low | 28 | Very low | 80 Ų | 80 | 130.9 Ų | 130.9 | 56% | 0.559 | 79% | 0.792 | S | S | * | * | | | trans | -108.6 | 164.9 | 161.7 | -61.6 | 0 | 0 | 0 | 0 | 109.8 | | |
| 98 | N | 26.6 | Very low | 27.8 | Very low | 164 Ų | 164 | 131.2 Ų | 131.2 | 88% | 0.877 | 79% | 0.792 | S | S | * | * | | | trans | 79.9 | 154.2 | 174 | -45.8 | -28.5 | 0 | 0 | 0 | 115 | | |
| 99 | S | 25.8 | Very low | 27.7 | Very low | 108 Ų | 108 | 130.5 Ų | 130.5 | 76% | 0.755 | 78% | 0.784 | S | S | * | * | | | cis | -177.1 | 165.8 | -24 | -179.1 | 0 | 0 | 0 | 0 | 107.3 | | |
| 100 | A | 26.1 | Very low | 27.8 | Very low | 90 Ų | 90 | 129.9 Ų | 129.9 | 74% | 0.744 | 78% | 0.782 | S | S | * | * | | | trans | 69.1 | 158.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 101 | V | 29.6 | Very low | 28 | Very low | 134 Ų | 134 | 130 Ų | 130 | 81% | 0.812 | 78% | 0.783 | S | S | * | * | | | cis | -138 | 149.9 | 26.2 | 173.7 | 0 | 0 | 0 | 0 | 111.9 | | |
| 102 | E | 26.9 | Very low | 27.9 | Very low | 187 Ų | 187 | 125 Ų | 125 | 87% | 0.874 | 78% | 0.782 | S | S | * | * | | | trans | -65.8 | 142 | 173.8 | -57.1 | 168.3 | 126.2 | 0 | 0 | 112.9 | | |
| 103 | S | 30.3 | Very low | 28 | Very low | 122 Ų | 122 | 125 Ų | 125 | 85% | 0.853 | 79% | 0.785 | S | S | * | * | | | trans | -147.9 | 112.1 | 153.8 | 46.5 | 0 | 0 | 0 | 0 | 109.6 | | |
| 104 | G | 25.5 | Very low | 28 | Very low | 72 Ų | 72 | 124.9 Ų | 124.9 | 74% | 0.742 | 78% | 0.784 | S | S | * | * | | | trans | -81.6 | 152.9 | -172.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 105 | L | 30.3 | Very low | 28.2 | Very low | 168 Ų | 168 | 125.8 Ų | 125.8 | 88% | 0.88 | 79% | 0.785 | S | S | * | * | | | trans | -129 | 97.4 | 161.6 | -74 | 175.3 | 0 | 0 | 0 | 108.8 | S107 | L105-S107 PolarHBondContact O-N 3.29Š|
| 106 | N | 25.9 | Very low | 28.3 | Very low | 171 Ų | 171 | 125 Ų | 125 | 91% | 0.914 | 79% | 0.786 | S | S | * | * | | | trans | -70.3 | 97.6 | 168.3 | -71.2 | -27 | 0 | 0 | 0 | 108.6 | | |
| 107 | S | 31.4 | Very low | 28.3 | Very low | 112 Ų | 112 | 120.9 Ų | 120.9 | 78% | 0.783 | 77% | 0.772 | S | S | * | * | | | trans | -102 | 99.3 | 169.4 | -175 | 0 | 0 | 0 | 0 | 108.8 | L105 | L105-S107 PolarHBondContact O-N 3.29Š|
| 108 | V | 28.8 | Very low | 28.4 | Very low | 133 Ų | 133 | 122.1 Ų | 122.1 | 81% | 0.806 | 78% | 0.777 | S | S | * | * | | | trans | -85.7 | 109.2 | 172.2 | 178.2 | 0 | 0 | 0 | 0 | 107.9 | | |
| 109 | D | 28.4 | Very low | 28.3 | Very low | 112 Ų | 112 | 122.2 Ų | 122.2 | 60% | 0.599 | 78% | 0.776 | S | S | * | * | | | trans | -81 | 123.5 | 172.2 | -160.2 | -29.6 | 0 | 0 | 0 | 109 | N111 | D109-N111 PolarHBondContact O-N 2.82Å; D109-N111 PolarHBondContact OD1-N 3.01Å |
| 110 | P | 32.2 | Very low | 28.4 | Very low | 117 Ų | 117 | 124.4 Ų | 124.4 | 76% | 0.76 | 77% | 0.774 | S | S | * | * | S | Bend | trans | -66.5 | -5 | -177.3 | 25.7 | -34.9 | 0 | 0 | 0 | 114.5 | | |
| 111 | N | 32.8 | Very low | 28.4 | Very low | 126 Ų | 126 | 125.3 Ų | 125.3 | 67% | 0.674 | 78% | 0.775 | S | S | * | * | S | Bend | trans | -107.9 | 50.1 | -178.5 | -70.8 | -50.4 | 0 | 0 | 0 | 114.5 | D109 S113 | D109-N111 PolarHBondContact O-N 2.82Å; D109-N111 PolarHBondContact OD1-N 3.01Å; N111-S113 PolarHBondContact O-N 3.06Å; N111-S113 PolarHBondContact O-OG 3.04Å |
| 112 | G | 26.7 | Very low | 28.4 | Very low | 81 Ų | 81 | 123.9 Ų | 123.9 | 84% | 0.835 | 77% | 0.766 | S | S | * | * | | | trans | 52.5 | 20.7 | 138.8 | 0 | 0 | 0 | 0 | 0 | 120 | | |
| 113 | S | 30.4 | Very low | 28.4 | Very low | 90 Ų | 90 | 120.3 Ų | 120.3 | 63% | 0.629 | 76% | 0.758 | S | S | * | * | | | trans | -117.9 | 104.3 | -175.9 | 44 | 0 | 0 | 0 | 0 | 110.4 | N111 A115 | N111-S113 PolarHBondContact O-N 3.06Å; N111-S113 PolarHBondContact O-OG 3.04Å; S113-A115 PolarHBondContact O-N 3.45Å |
| 114 | N | 27.3 | Very low | 28.3 | Very low | 172 Ų | 172 | 124.3 Ų | 124.3 | 92% | 0.92 | 76% | 0.756 | S | S | * | * | | | trans | -71.7 | 69.9 | 176.5 | -76 | -18.6 | 0 | 0 | 0 | 111.1 | S116 | N114-S116 VanDerWaalsContact C-N 3.33Å; N114-S116 PolarHBondContact O-N 2.95Å |
| 115 | A | 27.6 | Very low | 28.2 | Very low | 86 Ų | 86 | 126.6 Ų | 126.6 | 71% | 0.711 | 76% | 0.759 | S | S | * | * | | | trans | -72.3 | 89.9 | 165.4 | 0 | 0 | 0 | 0 | 0 | 108.6 | S113 S117 | S113-A115 PolarHBondContact O-N 3.45Å; A115-S117 VanDerWaalsContact C-N 3.35Å; A115-S117 PolarHBondContact O-N 3.29Å |
| 116 | S | 27.7 | Very low | 28.1 | Very low | 116 Ų | 116 | 127.6 Ų | 127.6 | 81% | 0.811 | 76% | 0.756 | S | S | * | * | | | trans | -63.7 | 95.5 | 171.5 | -172.2 | 0 | 0 | 0 | 0 | 109.2 | N114 T118 | N114-S116 VanDerWaalsContact C-N 3.33Å; N114-S116 PolarHBondContact O-N 2.95Å; S116-T118 PolarHBondContact O-N 3.04Å |
| 117 | S | 28 | Very low | 28.1 | Very low | 97 Ų | 97 | 123.5 Ų | 123.5 | 68% | 0.678 | 75% | 0.746 | S | S | * | * | | | trans | -86.4 | 102.3 | 177.3 | 48.1 | 0 | 0 | 0 | 0 | 109.4 | A115 L119 | A115-S117 VanDerWaalsContact C-N 3.35Å; A115-S117 PolarHBondContact O-N 3.29Å; S117-L119 VanDerWaalsContact C-N 3.33Å; S117-L119 PolarHBondContact O-N 3.39Å |
| 118 | T | 27.2 | Very low | 28 | Very low | 107 Ų | 107 | 124.9 Ų | 124.9 | 66% | 0.656 | 75% | 0.745 | S | S | * | * | | | trans | -68 | 92.3 | 174 | -33.1 | 0 | 0 | 0 | 0 | 109.3 | S116 H120 | S116-T118 PolarHBondContact O-N 3.04Å; T118-H120 PolarHBondContact O-N 3.27Å; T118-H120 PolarHBondContact O-ND1 3.14Å |
| 119 | L | 26.1 | Very low | 28 | Very low | 165 Ų | 165 | 125.7 Ų | 125.7 | 86% | 0.864 | 74% | 0.743 | S | S | * | * | | | trans | -63.1 | 100.3 | 175.1 | -90 | 158.2 | 0 | 0 | 0 | 109.9 | S117 S121 | S117-L119 VanDerWaalsContact C-N 3.33Å; S117-L119 PolarHBondContact O-N 3.39Å; L119-S121 PolarHBondContact O-N 3.28Å |
| 120 | H | 27.4 | Very low | 28 | Very low | 155 Ų | 155 | 131.9 Ų | 131.9 | 72% | 0.718 | 76% | 0.758 | S | S | * | * | | | trans | -83.2 | 108.5 | 169.6 | -66.9 | 77.6 | 0 | 0 | 0 | 108.3 | T118 V122 | T118-H120 PolarHBondContact O-N 3.27Å; T118-H120 PolarHBondContact O-ND1 3.14Å; H120-V122 PolarHBondContact O-N 3.4Å |
| 121 | S | 26.3 | Very low | 28 | Very low | 108 Ų | 108 | 133.1 Ų | 133.1 | 76% | 0.755 | 76% | 0.759 | S | S | * | * | | | trans | -70.4 | 111.5 | 174.7 | 44.8 | 0 | 0 | 0 | 0 | 110.6 | L119 T123 | L119-S121 PolarHBondContact O-N 3.28Å; S121-T123 PolarHBondContact O-N 2.92Å |
| 122 | V | 28.9 | Very low | 27.7 | Very low | 104 Ų | 104 | 132.9 Ų | 132.9 | 63% | 0.63 | 77% | 0.767 | S | S | * | * | | | trans | -87 | 98.5 | 171 | -177.8 | 0 | 0 | 0 | 0 | 108.8 | H120 Y124 | H120-V122 PolarHBondContact O-N 3.4Å; V122-Y124 HydrophobicContact CB-CE2 4.32Å; V122-Y124 HydrophobicContact CG1-CD2 4.21Å; V122-Y124 HydrophobicContact CG1-CE1 4.38Å; V122-Y124 HydrophobicContact CG1-CE2 3.68Å; V122-Y124 PolarHBondContact O-N 2.83Å |
| 123 | T | 26.8 | Very low | 28.1 | Very low | 113 Ų | 113 | 133.6 Ų | 133.6 | 69% | 0.693 | 76% | 0.759 | S | S | * | * | | | trans | -83.6 | 110.5 | 176.8 | -53.9 | 0 | 0 | 0 | 0 | 110.5 | S121 C125 | S121-T123 PolarHBondContact O-N 2.92Å; T123-C125 PolarHBondContact O-N 3.32Å |
| 124 | Y | 27.5 | Very low | 28 | Very low | 206 Ų | 206 | 137 Ų | 137 | 81% | 0.808 | 77% | 0.77 | S | S | * | * | | | trans | -83.7 | 107.1 | 173.7 | -68.2 | -87.3 | 0 | 0 | 0 | 111.1 | V122 K126 | V122-Y124 HydrophobicContact CB-CE2 4.32Å; V122-Y124 HydrophobicContact CG1-CD2 4.21Å; V122-Y124 HydrophobicContact CG1-CE1 4.38Å; V122-Y124 HydrophobicContact CG1-CE2 3.68Å; V122-Y124 PolarHBondContact O-N 2.83Å; Y124-K126 PolarHBondContact O-N 2.91Å |
| 125 | C | 25.1 | Very low | 28.2 | Very low | 119 Ų | 119 | 136.6 Ų | 136.6 | 80% | 0.804 | 76% | 0.763 | S | S | * | * | | | trans | -82.9 | 108.6 | 172.9 | -66.7 | 0 | 0 | 0 | 0 | 110.9 | T123 A127 | T123-C125 PolarHBondContact O-N 3.32Å; C125-A127 PolarHBondContact O-N 3.01Å |
| 126 | K | 27.1 | Very low | 28.1 | Very low | 189 Ų | 189 | 143 Ų | 143 | 82% | 0.822 | 77% | 0.769 | S | S | * | * | | | trans | -78.2 | 102 | 173.4 | -171.3 | 174.9 | -175.5 | 174.9 | 0 | 110.4 | Y124 N128 | Y124-K126 PolarHBondContact O-N 2.91Å; K126-N128 PolarHBondContact O-N 3.41Å |
| 127 | A | 27.2 | Very low | 28 | Very low | 86 Ų | 86 | 142.1 Ų | 142.1 | 71% | 0.711 | 77% | 0.768 | S | S | * | * | | | trans | -73 | 106.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | C125 L129 | C125-A127 PolarHBondContact O-N 3.01Å; A127-L129 PolarHBondContact O-N 3.27Å |
| 128 | N | 27.4 | Very low | 27.9 | Very low | 141 Ų | 141 | 145.3 Ų | 145.3 | 75% | 0.754 | 78% | 0.778 | S | S | * | * | | | trans | -74.8 | 88 | 169.1 | -88.7 | -26.7 | 0 | 0 | 0 | 110 | K126 R130 | K126-N128 PolarHBondContact O-N 3.41Å; N128-R130 PolarHBondContact O-N 3.28Å |
| 129 | L | 30.6 | Very low | 27.9 | Very low | 149 Ų | 149 | 144.8 Ų | 144.8 | 78% | 0.78 | 79% | 0.785 | S | S | * | * | | | trans | -67 | 95.6 | 165.3 | -75.3 | 162.5 | 0 | 0 | 0 | 109.1 | A127 N131 | A127-L129 PolarHBondContact O-N 3.27Å; L129-N131 PolarHBondContact O-N 3.43Å |
| 130 | R | 28.5 | Very low | 27.8 | Very low | 242 Ų | 242 | 143.6 Ų | 143.6 | 91% | 0.913 | 78% | 0.784 | S | S | * | * | | | trans | -68.3 | 96.9 | 166.2 | -88.2 | -174.8 | 171.2 | 174.8 | -2.1 | 108.5 | N128 S132 | N128-R130 PolarHBondContact O-N 3.28Å; R130-S132 PolarHBondContact O-N 3.16Å |
| 131 | N | 31.8 | Very low | 27.7 | Very low | 144 Ų | 144 | 141.4 Ų | 141.4 | 77% | 0.77 | 79% | 0.786 | S | S | * | * | | | trans | -62.6 | 98.7 | 168.6 | -73.9 | -11.6 | 0 | 0 | 0 | 109.5 | L129 S133 | L129-N131 PolarHBondContact O-N 3.43Å; N131-S133 PolarHBondContact O-N 3.27Å |
| 132 | S | 26.6 | Very low | 27.6 | Very low | 120 Ų | 120 | 142.3 Ų | 142.3 | 84% | 0.839 | 79% | 0.788 | S | S | * | * | | | trans | -86.4 | 78.8 | 172 | 171.8 | 0 | 0 | 0 | 0 | 109.7 | R130 | R130-S132 PolarHBondContact O-N 3.16Š|
| 133 | S | 33.7 | Very low | 27.6 | Very low | 97 Ų | 97 | 145.3 Ų | 145.3 | 68% | 0.678 | 80% | 0.799 | S | S | * | * | | | trans | -148.1 | 110.5 | 165.3 | 52.2 | 0 | 0 | 0 | 0 | 109 | N131 | N131-S133 PolarHBondContact O-N 3.27Š|
| 134 | D | 28.9 | Very low | 27.5 | Very low | 161 Ų | 161 | 146.8 Ų | 146.8 | 86% | 0.861 | 80% | 0.803 | S | S | * | * | | | trans | -54.9 | 151.3 | 164.4 | -69.7 | -64 | 0 | 0 | 0 | 110.5 | | |
| 135 | E | 30.9 | Very low | 27.5 | Very low | 163 Ų | 163 | 144.9 Ų | 144.9 | 76% | 0.762 | 80% | 0.801 | S | S | * | * | | | trans | 78.1 | 120.9 | 171.3 | -52.8 | -160.7 | 162.7 | 0 | 0 | 119.3 | | |
| 136 | R | 26.6 | Very low | 27.4 | Very low | 221 Ų | 221 | 145.5 Ų | 145.5 | 83% | 0.834 | 80% | 0.801 | S | S | * | * | | | trans | 82.5 | 84.3 | 140.2 | -72 | 170.2 | 160.4 | 179.6 | -7.3 | 120.4 | | |
| 137 | A | 25.8 | Very low | 27.4 | Very low | 97 Ų | 97 | 142.8 Ų | 142.8 | 80% | 0.802 | 80% | 0.8 | S | S | * | * | | | | 80.9 | 145.8 | 114.4 | 0 | 0 | 0 | 0 | 0 | 120.5 | | |
| 138 | N | 25.1 | Very low | 27.2 | Very low | 164 Ų | 164 | 144.6 Ų | 144.6 | 88% | 0.877 | 80% | 0.803 | S | S | * | * | | | trans | 64.1 | 78.3 | 172.2 | -92.7 | 13.3 | 0 | 0 | 0 | 118.1 | | |
| 139 | A | 26.6 | Very low | 27.1 | Very low | 97 Ų | 97 | 141.7 Ų | 141.7 | 80% | 0.802 | 79% | 0.793 | S | S | * | * | | | trans | -139 | 103.7 | 142.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | S141 | A139-S141 PolarHBondContact O-N 3.15Š|
| 140 | T | 25.5 | Very low | 26.8 | Very low | 140 Ų | 140 | 142.7 Ų | 142.7 | 86% | 0.859 | 79% | 0.794 | S | S | * | * | | | trans | -69.2 | 114 | 173.6 | 5.2 | 0 | 0 | 0 | 0 | 109.4 | | |
| 141 | S | 25.6 | Very low | 26.6 | Very low | 109 Ų | 109 | 142.5 Ų | 142.5 | 76% | 0.762 | 80% | 0.795 | S | S | * | * | | | trans | -92 | 100.9 | 177.5 | 164.2 | 0 | 0 | 0 | 0 | 110.4 | A139 | A139-S141 PolarHBondContact O-N 3.15Š|
| 142 | T | 24.4 | Very low | 26.2 | Very low | 127 Ų | 127 | 138.1 Ų | 138.1 | 78% | 0.779 | 78% | 0.784 | S | S | * | * | | | trans | -124.1 | 103 | 162.7 | 46.5 | 0 | 0 | 0 | 0 | 108.3 | | |
| 143 | L | 28.1 | Very low | 26 | Very low | 167 Ų | 167 | 138.4 Ų | 138.4 | 87% | 0.874 | 78% | 0.775 | S | S | * | * | | | trans | -120.8 | 85.9 | 178.8 | -121 | 161 | 0 | 0 | 0 | 106.5 | | |
| 144 | D | 23.8 | Very low | 25.6 | Very low | 143 Ų | 143 | 140.8 Ų | 140.8 | 77% | 0.765 | 79% | 0.786 | S | S | * | * | | | trans | -89 | 144.5 | 176.1 | -98.3 | -39.1 | 0 | 0 | 0 | 111.5 | | |
| 145 | E | 27.3 | Very low | 25.4 | Very low | 166 Ų | 166 | 139 Ų | 139 | 78% | 0.776 | 78% | 0.781 | S | S | * | * | | | trans | 58.3 | 97 | 156.2 | -58.9 | -168.4 | 137.8 | 0 | 0 | 120.2 | | |
| 146 | T | 24.1 | Very low | 25 | Very low | 132 Ų | 132 | 139.4 Ų | 139.4 | 81% | 0.81 | 78% | 0.783 | S | S | * | * | | | | 21.4 | 103.7 | 113.1 | -42.3 | 0 | 0 | 0 | 0 | 117.4 | | |
| 147 | V | 26.3 | Very low | 25 | Very low | 132 Ų | 132 | 136.7 Ų | 136.7 | 80% | 0.8 | 79% | 0.785 | S | S | * | * | | | trans | -128.3 | 104 | 157 | -176.9 | 0 | 0 | 0 | 0 | 110.9 | | |
| 148 | T | 23.5 | Very low | 25 | Very low | 125 Ų | 125 | 136.2 Ų | 136.2 | 77% | 0.767 | 78% | 0.781 | S | S | * | * | | | trans | -66.7 | 131.6 | 161.9 | -53.8 | 0 | 0 | 0 | 0 | 109.3 | | |
| 149 | S | 26.2 | Very low | 24.9 | Very low | 79 Ų | 79 | 133.6 Ų | 133.6 | 55% | 0.552 | 78% | 0.776 | S | S | * | * | | | trans | -142.8 | 101.3 | 162.8 | -171.8 | 0 | 0 | 0 | 0 | 111.5 | G152 | S149-G152 PolarHBondContact OG-N 2.9Š|
| 150 | Q | 23.8 | Very low | 24.8 | Very low | 170 Ų | 170 | 135.2 Ų | 135.2 | 79% | 0.794 | 78% | 0.776 | S | S | * | * | S | Bend | trans | -72.1 | 116.7 | 148.7 | -73.3 | -178.2 | -18.4 | 0 | 0 | 106.9 | | |
| 151 | Y | 24.1 | Very low | 24.7 | Very low | 239 Ų | 239 | 133.9 Ų | 133.9 | 94% | 0.937 | 77% | 0.772 | S | S | * | * | S | Bend | trans | 50.3 | 79.4 | 168.8 | -58.3 | -82.3 | 0 | 0 | 0 | 116.6 | | |
| 152 | G | 24.1 | Very low | 24.6 | Very low | 52 Ų | 52 | 134.7 Ų | 134.7 | 54% | 0.536 | 78% | 0.778 | S | S | . | * | | | trans | -166.9 | 116.5 | 166.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | S149 | S149-G152 PolarHBondContact OG-N 2.9Š|
| 153 | L | 22.6 | Very low | 24.5 | Very low | 125 Ų | 125 | 135.4 Ų | 135.4 | 65% | 0.654 | 78% | 0.782 | S | S | * | * | | | trans | -73.4 | 135.1 | 167.2 | -79.3 | 81.8 | 0 | 0 | 0 | 109.8 | Y2 | Y2-L153 HydrophobicContact CE1-CD1 3.92Å; Y2-L153 HydrophobicContact CE1-CD2 4.14Å |
| 154 | T | 24.1 | Very low | 24.3 | Very low | 148 Ų | 148 | 132.9 Ų | 132.9 | 91% | 0.908 | 78% | 0.778 | S | S | * | * | | | trans | -147.8 | 115.5 | 151.5 | 5.4 | 0 | 0 | 0 | 0 | 110.2 | | |
| 155 | T | 25.1 | Very low | 24.3 | Very low | 123 Ų | 123 | 131.6 Ų | 131.6 | 76% | 0.755 | 78% | 0.78 | S | S | * | * | | | trans | -106.9 | 129.3 | 175.9 | -43.9 | 0 | 0 | 0 | 0 | 108.7 | | |
| 156 | Q | 22.9 | Very low | 24.2 | Very low | 172 Ų | 172 | 128.6 Ų | 128.6 | 80% | 0.804 | 78% | 0.778 | S | S | * | * | | | trans | 166.3 | 126.3 | 135.9 | -95.1 | 174.1 | 9.9 | 0 | 0 | 111.2 | | |
| 157 | N | 26.6 | Very low | 24.2 | Very low | 164 Ų | 164 | 130.5 Ų | 130.5 | 88% | 0.877 | 78% | 0.777 | S | S | * | * | | | | -158.9 | 136 | 107.3 | -96.9 | -31.2 | 0 | 0 | 0 | 110 | | |
| 158 | A | 24.7 | Very low | 24 | Very low | 87 Ų | 87 | 131.3 Ų | 131.3 | 72% | 0.719 | 78% | 0.777 | S | S | * | * | | | trans | -99.8 | 156.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 159 | S | 23.3 | Very low | 24.2 | Very low | 108 Ų | 108 | 135.5 Ų | 135.5 | 76% | 0.755 | 79% | 0.785 | S | S | * | * | | | | 169.8 | 159.3 | 117.9 | -76.6 | 0 | 0 | 0 | 0 | 113.3 | | |
| 160 | T | 25.1 | Very low | 24.1 | Very low | 131 Ų | 131 | 138 Ų | 138 | 80% | 0.804 | 80% | 0.797 | S | S | * | * | | | trans | 69.4 | 102 | 174.1 | 68.5 | 0 | 0 | 0 | 0 | 115.5 | | |
| 161 | S | 22.6 | Very low | 24.3 | Very low | 113 Ų | 113 | 136 Ų | 136 | 79% | 0.79 | 80% | 0.799 | S | S | * | * | | | cis | 87.8 | 101.1 | 38 | 83.8 | 0 | 0 | 0 | 0 | 115.5 | | |
| 162 | S | 24.5 | Very low | 24.3 | Very low | 125 Ų | 125 | 134.5 Ų | 134.5 | 87% | 0.874 | 80% | 0.798 | S | S | * | * | | | trans | -160.8 | 148.5 | 132.2 | 49.3 | 0 | 0 | 0 | 0 | 110.1 | | |
| 163 | V | 22.5 | Very low | 24.3 | Very low | 143 Ų | 143 | 140.7 Ų | 140.7 | 87% | 0.867 | 81% | 0.813 | S | S | * | * | | | trans | -129.6 | 130.5 | -172.3 | 172 | 0 | 0 | 0 | 0 | 109.8 | | |
| 164 | S | 23.8 | Very low | 24.5 | Very low | 114 Ų | 114 | 138.1 Ų | 138.1 | 80% | 0.797 | 82% | 0.817 | S | S | * | * | | | trans | 171.5 | 134.5 | 156 | 50.7 | 0 | 0 | 0 | 0 | 107.5 | | |
| 165 | S | 23.6 | Very low | 24.4 | Very low | 115 Ų | 115 | 137.1 Ų | 137.1 | 80% | 0.804 | 82% | 0.815 | S | S | * | * | | | cis | -159.2 | -179.1 | -8.3 | 61.5 | 0 | 0 | 0 | 0 | 106.4 | | |
| 166 | S | 24.2 | Very low | 24.5 | Very low | 104 Ų | 104 | 137.9 Ų | 137.9 | 73% | 0.727 | 82% | 0.82 | S | S | * | * | | | cis | -161.4 | -166.3 | 11.2 | -159.9 | 0 | 0 | 0 | 0 | 109.7 | | |
| 167 | Q | 25.6 | Very low | 24.6 | Very low | 172 Ų | 172 | 136.8 Ų | 136.8 | 80% | 0.804 | 82% | 0.82 | S | S | * | * | | | trans | 67.2 | 85.4 | 163.8 | -64 | -176.3 | -0.4 | 0 | 0 | 118 | | |
| 168 | D | 22 | Very low | 24.6 | Very low | 148 Ų | 148 | 134.6 Ų | 134.6 | 79% | 0.791 | 81% | 0.814 | S | S | * | * | | | | 25.1 | 120.6 | 126.7 | -51.1 | -38 | 0 | 0 | 0 | 119.8 | | |
| 169 | F | 27.7 | Very low | 24.6 | Very low | 214 Ų | 214 | 136.5 Ų | 136.5 | 94% | 0.939 | 82% | 0.817 | S | S | * | * | | | trans | -160.7 | 131.2 | 132.1 | -95 | -66.8 | 0 | 0 | 0 | 110.5 | | |
| 170 | T | 23.7 | Very low | 24.8 | Very low | 132 Ų | 132 | 137.5 Ų | 137.5 | 81% | 0.81 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -83.6 | 137.2 | -178.5 | 49.8 | 0 | 0 | 0 | 0 | 112.6 | | |
| 171 | P | 27.5 | Very low | 24.8 | Very low | 128 Ų | 128 | 141.7 Ų | 141.7 | 83% | 0.831 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -76.9 | 138.5 | 172.8 | 31.7 | -33.2 | 0 | 0 | 0 | 111.7 | | |
| 172 | F | 25.1 | Very low | 24.8 | Very low | 207 Ų | 207 | 142.2 Ų | 142.2 | 91% | 0.908 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -94 | 139.1 | 176.1 | -166.3 | -91.1 | 0 | 0 | 0 | 110.6 | | |
| 173 | E | 23.9 | Very low | 24.8 | Very low | 181 Ų | 181 | 144.2 Ų | 144.2 | 85% | 0.846 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -76.5 | 141.7 | -178.7 | -62.5 | -175.5 | 134.3 | 0 | 0 | 112.6 | | |
| 174 | G | 25.1 | Very low | 25 | Very low | 72 Ų | 72 | 144.7 Ų | 144.7 | 74% | 0.742 | 81% | 0.813 | S | S | * | * | | | trans | -173.3 | 97.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 175 | S | 22.8 | Very low | 25 | Very low | 126 Ų | 126 | 145.3 Ų | 145.3 | 88% | 0.881 | 81% | 0.812 | S | S | * | * | | | trans | -79.6 | 136.9 | 176.7 | 176.3 | 0 | 0 | 0 | 0 | 112 | | |
| 176 | V | 27.5 | Very low | 25.3 | Very low | 140 Ų | 140 | 143.8 Ų | 143.8 | 85% | 0.848 | 80% | 0.798 | S | S | * | * | | | trans | -145.9 | 137.8 | 166.2 | -117.7 | 0 | 0 | 0 | 0 | 112.7 | | |
| 177 | N | 24.9 | Very low | 25.4 | Very low | 149 Ų | 149 | 144.5 Ų | 144.5 | 80% | 0.797 | 80% | 0.798 | S | S | * | * | | | trans | -90.2 | 138 | -170.5 | -147.5 | -8.5 | 0 | 0 | 0 | 110.8 | T179 | N177-T179 PolarHBondContact O-N 3.43Š|
| 178 | P | 27.1 | Very low | 25.7 | Very low | 117 Ų | 117 | 138.2 Ų | 138.2 | 76% | 0.76 | 77% | 0.773 | S | S | * | * | | | trans | -95.9 | 89.1 | -164 | 36.1 | -33.8 | 0 | 0 | 0 | 114.3 | | |
| 179 | T | 23.4 | Very low | 26.1 | Very low | 128 Ų | 128 | 138.7 Ų | 138.7 | 79% | 0.785 | 77% | 0.768 | S | S | * | * | | | trans | -143.7 | 53.4 | 167.9 | -33.1 | 0 | 0 | 0 | 0 | 114.5 | N177 | N177-T179 PolarHBondContact O-N 3.43Š|
| 180 | T | 28 | Very low | 26.4 | Very low | 128 Ų | 128 | 137.2 Ų | 137.2 | 79% | 0.785 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -150.3 | 134.7 | 164.2 | -6 | 0 | 0 | 0 | 0 | 110.9 | L182 | T180-L182 PolarHBondContact O-N 3.36Š|
| 181 | K | 24.4 | Very low | 27 | Very low | 220 Ų | 220 | 132.5 Ų | 132.5 | 96% | 0.957 | 74% | 0.735 | S | S | * | * | | | trans | -68.7 | 91.7 | 174.4 | -72.6 | -178.3 | 176.8 | -179.6 | 0 | 109.3 | | |
| 182 | L | 23.6 | Very low | 27.6 | Very low | 124 Ų | 124 | 130.9 Ų | 130.9 | 65% | 0.649 | 73% | 0.726 | S | S | * | * | | | trans | -99 | 128.6 | -180 | -152 | 75 | 0 | 0 | 0 | 109.5 | T180 Q184 | T180-L182 PolarHBondContact O-N 3.36Å; L182-Q184 VanDerWaalsContact C-N 3.29Å; L182-Q184 HydrophobicContact CB-CG 4.12Å; L182-Q184 HydrophobicContact CD2-CG 4.22Å; L182-Q184 PolarHBondContact O-N 3.33Å |
| 183 | N | 24.3 | Very low | 28.3 | Very low | 166 Ų | 166 | 124.8 Ų | 124.8 | 89% | 0.888 | 71% | 0.706 | S | S | * | * | | | trans | -66.3 | 92.8 | 163.3 | -82.2 | -15.6 | 0 | 0 | 0 | 107.6 | T185 | N183-T185 PolarHBondContact O-N 3.38Š|
| 184 | Q | 26.3 | Very low | 29 | Very low | 153 Ų | 153 | 120.2 Ų | 120.2 | 72% | 0.715 | 69% | 0.691 | S | S | * | * | | | trans | -83.3 | 112.8 | 179.8 | -66 | -169.5 | 20 | 0 | 0 | 110.1 | L182 V186 | L182-Q184 VanDerWaalsContact C-N 3.29Å; L182-Q184 HydrophobicContact CB-CG 4.12Å; L182-Q184 HydrophobicContact CD2-CG 4.22Å; L182-Q184 PolarHBondContact O-N 3.33Å; Q184-V186 PolarHBondContact O-N 3Å |
| 185 | T | 24.8 | Very low | 29.8 | Very low | 127 Ų | 127 | 122.5 Ų | 122.5 | 78% | 0.779 | 68% | 0.682 | S | S | * | * | | | trans | -67.1 | 98.6 | 164.1 | -53.8 | 0 | 0 | 0 | 0 | 108.1 | N183 T187 | N183-T185 PolarHBondContact O-N 3.38Å; T185-T187 PolarHBondContact O-N 3.01Å |
| 186 | V | 28.5 | Very low | 30.5 | Very low | 84 Ų | 84 | 123.7 Ų | 123.7 | 51% | 0.509 | 68% | 0.679 | S | S | . | * | | | trans | -67.7 | 101.3 | 173.2 | 179.4 | 0 | 0 | 0 | 0 | 108 | Q184 S188 | Q184-V186 PolarHBondContact O-N 3Å; V186-S188 PolarHBondContact O-N 3.25Å |
| 187 | T | 26.7 | Very low | 31.3 | Very low | 118 Ų | 118 | 120.3 Ų | 120.3 | 72% | 0.724 | 67% | 0.673 | S | S | * | * | | | trans | -76.7 | 79.5 | 174.5 | -54 | 0 | 0 | 0 | 0 | 108.9 | T185 K189 | T185-T187 PolarHBondContact O-N 3.01Å; T187-K189 PolarHBondContact O-N 3.38Å |
| 188 | S | 31.7 | Very low | 31.8 | Very low | 40 Ų | 40 | 118 Ų | 118 | 28% | 0.28 | 66% | 0.66 | S | S | . | * | | | trans | -63.5 | 119.1 | 177.7 | 35 | 0 | 0 | 0 | 0 | 110.8 | V186 W204 | V186-S188 PolarHBondContact O-N 3.25Å; S188-W204 WeakPolarHBondContact CA-O 3.26Å |
| 189 | K | 32.2 | Very low | 32.4 | Very low | 158 Ų | 158 | 117 Ų | 117 | 69% | 0.687 | 65% | 0.652 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -85.4 | 119.7 | 170.7 | -73.9 | -172.7 | 178.2 | -178.6 | 0 | 108.9 | T187 W204 | T187-K189 PolarHBondContact O-N 3.38Å; K189-W204 PolarHBondContact N-O 3.27Å; K189-W204 PolarHBondContact O-N 3.25Å |
| 190 | Y | 33.9 | Very low | 33.3 | Very low | 183 Ų | 183 | 116.2 Ų | 116.2 | 72% | 0.718 | 64% | 0.635 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -85.2 | 114.8 | 172.5 | -65.1 | -91.7 | 0 | 0 | 0 | 109.3 | V203 | Y190-V203 HydrophobicContact CD1-CG2 3.82Å; Y190-V203 HydrophobicContact CE1-CG2 3.77Å |
| 191 | G | 35.6 | Very low | 33.8 | Very low | 33 Ų | 33 | 113 Ų | 113 | 34% | 0.34 | 63% | 0.627 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -105.6 | 152.7 | 164.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | V202 | G191-V202 PolarHBondContact N-O 2.99Å; G191-V202 PolarHBondContact O-N 3.18Å |
| 192 | S | 40.7 | Very low | 34.5 | Very low | 94 Ų | 94 | 105.5 Ų | 105.5 | 66% | 0.657 | 60% | 0.6 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -130.7 | 139.5 | 165.1 | 62.4 | 0 | 0 | 0 | 0 | 110.6 | Y200 | S192-Y200 VanDerWaalsContact CA-O 3.26Å; S192-Y200 WeakPolarHBondContact CA-O 3.39Å |
| 193 | T | 38.6 | Very low | 35.2 | Very low | 79 Ų | 79 | 103.5 Ų | 103.5 | 49% | 0.485 | 59% | 0.592 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -122.4 | 147.9 | 170 | -176.4 | 0 | 0 | 0 | 0 | 109.1 | T199 Y200 | T193-T199 CarbonylContact O-C 3.58Å; T193-T199 WeakPolarHBondContact O-CA 3.27Å; T193-Y200 HydrophobicContact CG2-CD2 4.29Å; T193-Y200 PolarHBondContact N-O 2.98Å; T193-Y200 PolarHBondContact O-N 2.92Å |
| 194 | T | 38.9 | Very low | 35.7 | Very low | 86 Ų | 86 | 103.6 Ų | 103.6 | 53% | 0.528 | 58% | 0.581 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -122.5 | 121.6 | 177 | -57.5 | 0 | 0 | 0 | 0 | 109.7 | L198 T199 | T194-L198 CarbonylContact C-O 3.55Å; T194-L198 VanDerWaalsContact CA-O 3.26Å; T194-L198 WeakPolarHBondContact CA-O 3.5Å; T194-T199 PolarHBondContact OG1-OG1 3.26Å |
| 195 | E | 41.4 | Very low | 36.4 | Very low | 120 Ų | 120 | 103.1 Ų | 103.1 | 56% | 0.561 | 59% | 0.594 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -131.4 | 134.1 | 178.9 | -165.6 | -174.4 | 155.7 | 0 | 0 | 108.8 | G197 L198 Y200 | E195-G197 PolarHBondContact O-N 3Å; E195-L198 PolarHBondContact N-O 3.31Å; E195-L198 WeakPolarHBondContact O-CB 3.33Å; E195-L198 PolarHBondContact O-N 2.71Å; E195-Y200 HydrophobicContact CB-CE2 4.18Å |
| 196 | N | 38 | Very low | 37 | Very low | 150 Ų | 150 | 101.9 Ų | 101.9 | 80% | 0.802 | 59% | 0.585 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 52.1 | 29.1 | -179.4 | -57.7 | -44.3 | 0 | 0 | 0 | 114.9 | L198 | N196-L198 VanDerWaalsContact C-N 3.32Š|
| 197 | G | 44.1 | Very low | 37.4 | Very low | 70 Ų | 70 | 102.8 Ų | 102.8 | 72% | 0.722 | 59% | 0.588 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 81.2 | 3.2 | -176.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | E195 | E195-G197 PolarHBondContact O-N 3Š|
| 198 | L | 35.6 | Very low | 38 | Very low | 100 Ų | 100 | 102 Ų | 102 | 52% | 0.524 | 58% | 0.581 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -101.6 | 125.9 | 175.5 | -61.5 | 173 | 0 | 0 | 0 | 109.9 | T194 E195 N196 Y200 | T194-L198 CarbonylContact C-O 3.55Å; T194-L198 VanDerWaalsContact CA-O 3.26Å; T194-L198 WeakPolarHBondContact CA-O 3.5Å; E195-L198 PolarHBondContact N-O 3.31Å; E195-L198 WeakPolarHBondContact O-CB 3.33Å; E195-L198 PolarHBondContact O-N 2.71Å; N196-L198 VanDerWaalsContact C-N 3.32Å; L198-Y200 HydrophobicContact CB-CE2 3.75Å; L198-Y200 WeakPolarHBondContact CD1-OH 3.3Å; L198-Y200 WeakPolarHBondContact O-CD2 3.44Å; L198-Y200 VanDerWaalsContact O-CE2 3.3Å; L198-Y200 WeakPolarHBondContact O-CE2 3.2Å |
| 199 | T | 39.4 | Very low | 38.4 | Very low | 96 Ų | 96 | 105.6 Ų | 105.6 | 59% | 0.589 | 60% | 0.599 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -96.9 | 122.4 | 176.1 | -57.3 | 0 | 0 | 0 | 0 | 110.7 | T193 T194 | T193-T199 CarbonylContact O-C 3.58Å; T193-T199 WeakPolarHBondContact O-CA 3.27Å; T194-T199 PolarHBondContact OG1-OG1 3.26Å |
| 200 | Y | 42 | Very low | 38.7 | Very low | 111 Ų | 111 | 102.4 Ų | 102.4 | 44% | 0.435 | 59% | 0.593 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -104.7 | 121.7 | 178.7 | -55.2 | -93.3 | 0 | 0 | 0 | 109.2 | S192 T193 E195 L198 | S192-Y200 VanDerWaalsContact CA-O 3.26Å; S192-Y200 WeakPolarHBondContact CA-O 3.39Å; T193-Y200 HydrophobicContact CG2-CD2 4.29Å; T193-Y200 PolarHBondContact N-O 2.98Å; T193-Y200 PolarHBondContact O-N 2.92Å; E195-Y200 HydrophobicContact CB-CE2 4.18Å; L198-Y200 HydrophobicContact CB-CE2 3.75Å; L198-Y200 WeakPolarHBondContact CD1-OH 3.3Å; L198-Y200 WeakPolarHBondContact O-CD2 3.44Å; L198-Y200 VanDerWaalsContact O-CE2 3.3Å; L198-Y200 WeakPolarHBondContact O-CE2 3.2Å |
| 201 | G | 39.4 | Very low | 39.1 | Very low | 60 Ų | 60 | 97 Ų | 97 | 62% | 0.619 | 59% | 0.585 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -83.6 | 125.9 | 168.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 202 | V | 39.9 | Very low | 39.3 | Very low | 63 Ų | 63 | 101.6 Ų | 101.6 | 38% | 0.382 | 60% | 0.602 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -112.1 | 115 | 173.2 | -170.2 | 0 | 0 | 0 | 0 | 108.2 | G191 W204 | G191-V202 PolarHBondContact N-O 2.99Å; G191-V202 PolarHBondContact O-N 3.18Å; V202-W204 HydrophobicContact CG1-CD2 4.39Å; V202-W204 HydrophobicContact CG1-CZ2 4.05Å |
| 203 | V | 36.8 | Very low | 39.2 | Very low | 82 Ų | 82 | 102.2 Ų | 102.2 | 50% | 0.497 | 60% | 0.598 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -98.2 | 120 | 173 | -177 | 0 | 0 | 0 | 0 | 107.8 | Y190 | Y190-V203 HydrophobicContact CD1-CG2 3.82Å; Y190-V203 HydrophobicContact CE1-CG2 3.77Å |
| 204 | W | 35.1 | Very low | 39.3 | Very low | 169 Ų | 169 | 104.1 Ų | 104.1 | 64% | 0.64 | 61% | 0.608 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -98.6 | 133.3 | 173 | -55.3 | 77.8 | 0 | 0 | 0 | 108.9 | S188 K189 V202 | S188-W204 WeakPolarHBondContact CA-O 3.26Å; K189-W204 PolarHBondContact N-O 3.27Å; K189-W204 PolarHBondContact O-N 3.25Å; V202-W204 HydrophobicContact CG1-CD2 4.39Å; V202-W204 HydrophobicContact CG1-CZ2 4.05Å |
| 205 | S | 40.6 | Very low | 39.3 | Very low | 142 Ų | 142 | 105.7 Ų | 105.7 | 99% | 0.993 | 62% | 0.615 | S | S | * | * | | | trans | -119.9 | 0 | 176.1 | 63.2 | 0 | 0 | 0 | 0 | 110.5 | | |