| 1 | G | 46.4 | Very low | 60.7 | Low | 126 Ų | 126 | 116.4 Ų | 116.4 | 100% | 1.299 | 71% | 0.711 | S | S | * | * | | | | 0 | 121.9 | 0 | 0 | 0 | 0 | 0 | 0 | 107.7 | T3 | G1-T3 PolarHBondContact O-N 3Š|
| 2 | Q | 48.2 | Very low | 62.1 | Low | 184 Ų | 184 | 112.3 Ų | 112.3 | 86% | 0.86 | 68% | 0.681 | S | S | * | * | | | trans | -74.9 | 109 | 176 | -62 | -173.7 | 55.1 | 0 | 0 | 107.1 | N4 | Q2-N4 VanDerWaalsContact C-N 3.34Å; Q2-N4 PolarHBondContact O-N 3.47Å |
| 3 | T | 49.8 | Very low | 62.6 | Low | 121 Ų | 121 | 106.3 Ų | 106.3 | 74% | 0.742 | 65% | 0.65 | S | S | * | * | | | trans | -73.7 | 92.7 | 178.4 | 161.6 | 0 | 0 | 0 | 0 | 107.8 | G1 G5 | G1-T3 PolarHBondContact O-N 3Å; T3-G5 PolarHBondContact O-N 2.7Å |
| 4 | N | 56.1 | Low | 63 | Low | 165 Ų | 165 | 104.6 Ų | 104.6 | 88% | 0.882 | 64% | 0.64 | S | S | * | * | | | trans | -60.8 | 82.1 | 163.3 | -60.2 | -61.8 | 0 | 0 | 0 | 107.9 | Q2 | Q2-N4 VanDerWaalsContact C-N 3.34Å; Q2-N4 PolarHBondContact O-N 3.47Å |
| 5 | G | 59.7 | Low | 63.7 | Low | 47 Ų | 47 | 109.7 Ų | 109.7 | 49% | 0.485 | 64% | 0.643 | S | S | . | * | | | trans | -128.2 | -15.1 | -173.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | T3 S7 | T3-G5 PolarHBondContact O-N 2.7Å; G5-S7 PolarHBondContact O-N 3.49Å |
| 6 | D | 58 | Low | 64 | Low | 150 Ų | 150 | 113.2 Ų | 113.2 | 80% | 0.802 | 65% | 0.648 | S | S | * | * | | | trans | -99.1 | 30.3 | -170.9 | -58.2 | -59.4 | 0 | 0 | 0 | 114 | S8 | D6-S8 PolarHBondContact O-N 3.04Š|
| 7 | S | 62.5 | Low | 64.3 | Low | 78 Ų | 78 | 114.5 Ų | 114.5 | 55% | 0.545 | 65% | 0.647 | S | S | . | * | | | trans | -79.8 | 69.5 | 156.4 | 65 | 0 | 0 | 0 | 0 | 108.7 | G5 L9 | G5-S7 PolarHBondContact O-N 3.49Å; S7-L9 PolarHBondContact O-N 3.42Å |
| 8 | S | 69.4 | Low | 64.3 | Low | 45 Ų | 45 | 112.1 Ų | 112.1 | 32% | 0.315 | 65% | 0.652 | S | S | . | * | | | trans | -51.4 | 141.4 | 169.5 | 172.8 | 0 | 0 | 0 | 0 | 108.7 | D6 E10 V11 L12 | D6-S8 PolarHBondContact O-N 3.04Å; S8-E10 PolarHBondContact O-N 3.21Å; S8-E10 PolarHBondContact OG-N 3.15Å; S8-E10 PolarHBondContact OG-OE2 3.31Å; S8-V11 WeakPolarHBondContact O-CA 3.32Å; S8-V11 WeakPolarHBondContact O-CB 3.3Å; S8-V11 PolarHBondContact O-N 2.87Å; S8-L12 PolarHBondContact O-N 3.49Å |
| 9 | L | 70.4 | Confident | 64.2 | Low | 145 Ų | 145 | 111.6 Ų | 111.6 | 76% | 0.759 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -52.5 | -29.1 | 179.3 | -159.1 | 154.1 | 0 | 0 | 0 | 111.1 | S7 L12 A13 | S7-L9 PolarHBondContact O-N 3.42Å; L9-L12 PolarHBondContact O-N 3.23Å; L9-A13 VanDerWaalsContact O-CB 3.3Å; L9-A13 WeakPolarHBondContact O-CB 3.42Å; L9-A13 PolarHBondContact O-N 3.38Å |
| 10 | E | 71.5 | Confident | 64.2 | Low | 145 Ų | 145 | 112.1 Ų | 112.1 | 68% | 0.678 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -63.2 | -40.2 | 174 | -59.5 | 142.5 | -173 | 0 | 0 | 113.1 | S8 A13 T14 | S8-E10 PolarHBondContact O-N 3.21Å; S8-E10 PolarHBondContact OG-N 3.15Å; S8-E10 PolarHBondContact OG-OE2 3.31Å; E10-A13 PolarHBondContact O-N 3.32Å; E10-T14 PolarHBondContact O-N 3.46Å; E10-T14 VanDerWaalsContact O-N 3.09Å; E10-T14 PolarHBondContact O-OG1 2.8Å |
| 11 | V | 75.4 | Confident | 64.2 | Low | 74 Ų | 74 | 117.8 Ų | 117.8 | 45% | 0.448 | 67% | 0.67 | S | S | . | * | H | α-helix | trans | -72.3 | -33.7 | 177.8 | 179.7 | 0 | 0 | 0 | 0 | 111 | S8 T14 | S8-V11 WeakPolarHBondContact O-CA 3.32Å; S8-V11 WeakPolarHBondContact O-CB 3.3Å; S8-V11 PolarHBondContact O-N 2.87Å; V11-T14 WeakPolarHBondContact CA-OG1 3.39Å; V11-T14 PolarHBondContact O-OG1 3Å; V11-T14 VanDerWaalsContact O-OG1 3.12Å |
| 12 | L | 78 | Confident | 64.9 | Low | 68 Ų | 68 | 117 Ų | 117 | 36% | 0.356 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -72.5 | -42.6 | 173.5 | -63.4 | 178.3 | 0 | 0 | 0 | 111 | S8 L9 T14 R15 F16 | S8-L12 PolarHBondContact O-N 3.49Å; L9-L12 PolarHBondContact O-N 3.23Å; L12-T14 PolarHBondContact O-N 3.23Å; L12-R15 WeakPolarHBondContact O-CB 3.47Å; L12-R15 PolarHBondContact O-N 3.33Å; L12-F16 WeakPolarHBondContact O-CD2 3.15Å |
| 13 | A | 68.6 | Low | 65.6 | Low | 34 Ų | 34 | 114.9 Ų | 114.9 | 28% | 0.281 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -63.4 | -39.9 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | L9 E10 R15 F16 Q17 | L9-A13 VanDerWaalsContact O-CB 3.3Å; L9-A13 WeakPolarHBondContact O-CB 3.42Å; L9-A13 PolarHBondContact O-N 3.38Å; E10-A13 PolarHBondContact O-N 3.32Å; A13-R15 PolarHBondContact O-N 3.12Å; A13-F16 PolarHBondContact O-N 2.77Å; A13-F16 VanDerWaalsContact O-N 3.15Å; A13-Q17 WeakPolarHBondContact O-CG 3.33Å; A13-Q17 PolarHBondContact O-N 3.09Å |
| 14 | T | 68 | Low | 66 | Low | 83 Ų | 83 | 114.4 Ų | 114.4 | 51% | 0.509 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -63.7 | -28.3 | 176.4 | 32.6 | 0 | 0 | 0 | 0 | 113 | E10 V11 L12 F16 Q17 | E10-T14 PolarHBondContact O-N 3.46Å; E10-T14 VanDerWaalsContact O-N 3.09Å; E10-T14 PolarHBondContact O-OG1 2.8Å; V11-T14 WeakPolarHBondContact CA-OG1 3.39Å; V11-T14 PolarHBondContact O-OG1 3Å; V11-T14 VanDerWaalsContact O-OG1 3.12Å; L12-T14 PolarHBondContact O-N 3.23Å; T14-F16 PolarHBondContact O-N 2.82Å; T14-Q17 PolarHBondContact O-N 3.34Å |
| 15 | R | 73.5 | Confident | 66.1 | Low | 180 Ų | 180 | 113.9 Ų | 113.9 | 68% | 0.679 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -64.9 | -28.4 | 176.1 | -151.7 | -177.1 | -62.7 | 172.8 | 0.6 | 112.6 | L12 A13 | L12-R15 WeakPolarHBondContact O-CB 3.47Å; L12-R15 PolarHBondContact O-N 3.33Å; A13-R15 PolarHBondContact O-N 3.12Å |
| 16 | F | 68.8 | Low | 65.9 | Low | 166 Ų | 166 | 114.3 Ų | 114.3 | 73% | 0.728 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -95.4 | -16.4 | 179.3 | -62.2 | -75.5 | 0 | 0 | 0 | 113.6 | L12 A13 T14 G18 | L12-F16 WeakPolarHBondContact O-CD2 3.15Å; A13-F16 PolarHBondContact O-N 2.77Å; A13-F16 VanDerWaalsContact O-N 3.15Å; T14-F16 PolarHBondContact O-N 2.82Å; F16-G18 VanDerWaalsContact C-N 3.32Å; F16-G18 PolarHBondContact O-N 3.31Å |
| 17 | Q | 68.5 | Low | 65.8 | Low | 135 Ų | 135 | 112 Ų | 112 | 63% | 0.631 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -76.8 | -14.6 | -178.7 | -76.4 | 167.5 | 0.3 | 0 | 0 | 114.1 | A13 T14 S19 | A13-Q17 WeakPolarHBondContact O-CG 3.33Å; A13-Q17 PolarHBondContact O-N 3.09Å; T14-Q17 PolarHBondContact O-N 3.34Å; Q17-S19 VanDerWaalsContact C-N 3.27Å; Q17-S19 PolarHBondContact O-N 3.45Å |
| 18 | G | 64.4 | Low | 65.5 | Low | 72 Ų | 72 | 111.7 Ų | 111.7 | 74% | 0.742 | 59% | 0.593 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.8 | -1.6 | -178.7 | 0 | 0 | 0 | 0 | 0 | 116 | F16 | F16-G18 VanDerWaalsContact C-N 3.32Å; F16-G18 PolarHBondContact O-N 3.31Å |
| 19 | S | 62.5 | Low | 64.8 | Low | 102 Ų | 102 | 113.4 Ų | 113.4 | 71% | 0.713 | 60% | 0.604 | S | S | * | * | | | trans | -124.5 | 57.2 | -175.7 | -170.6 | 0 | 0 | 0 | 0 | 113.2 | Q17 | Q17-S19 VanDerWaalsContact C-N 3.27Å; Q17-S19 PolarHBondContact O-N 3.45Å |
| 20 | V | 63.5 | Low | 64 | Low | 122 Ų | 122 | 111.9 Ų | 111.9 | 74% | 0.739 | 60% | 0.597 | S | S | * | * | | | trans | -113.5 | 82.8 | 155.5 | -174.9 | 0 | 0 | 0 | 0 | 107.4 | T22 | V20-T22 HydrophobicContact CG1-CG2 4.44Å; V20-T22 PolarHBondContact O-N 3.19Å |
| 21 | R | 65.3 | Low | 63.6 | Low | 231 Ų | 231 | 114.9 Ų | 114.9 | 87% | 0.872 | 60% | 0.602 | S | S | * | * | | | trans | -82.1 | 101.4 | 160.3 | -61.7 | -158.5 | -174 | -163.1 | 3.4 | 106.1 | Y23 | R21-Y23 VanDerWaalsContact C-N 3.31Å; R21-Y23 PolarHBondContact O-N 3.05Å |
| 22 | T | 60.1 | Low | 62.6 | Low | 111 Ų | 111 | 115.9 Ų | 115.9 | 68% | 0.681 | 61% | 0.612 | S | S | * | * | | | trans | -52.3 | 99.7 | 164.4 | 36.7 | 0 | 0 | 0 | 0 | 108.3 | V20 T24 | V20-T22 HydrophobicContact CG1-CG2 4.44Å; V20-T22 PolarHBondContact O-N 3.19Å; T22-T24 VanDerWaalsContact C-N 3.27Å; T22-T24 PolarHBondContact O-N 2.85Å |
| 23 | Y | 63.1 | Low | 61.6 | Low | 138 Ų | 138 | 117.1 Ų | 117.1 | 54% | 0.541 | 63% | 0.626 | S | S | . | * | | | trans | -77.9 | 83.4 | 171.6 | 179.7 | -95.2 | 0 | 0 | 0 | 107.3 | R21 S26 Q27 | R21-Y23 VanDerWaalsContact C-N 3.31Å; R21-Y23 PolarHBondContact O-N 3.05Å; Y23-S26 WeakPolarHBondContact OH-CB 3.35Å; Y23-Q27 HydrophobicContact CD1-CG 4.43Å; Y23-Q27 HydrophobicContact CE1-CG 3.62Å; Y23-Q27 PolarHBondContact OH-NE2 3.45Å |
| 24 | T | 58 | Low | 61.3 | Low | 111 Ų | 111 | 126 Ų | 126 | 68% | 0.681 | 65% | 0.654 | S | S | * | * | | | trans | -123.2 | -13.3 | 176.5 | 42.5 | 0 | 0 | 0 | 0 | 113.6 | T22 | T22-T24 VanDerWaalsContact C-N 3.27Å; T22-T24 PolarHBondContact O-N 2.85Å |
| 25 | E | 59.4 | Low | 60.9 | Low | 154 Ų | 154 | 127 Ų | 127 | 72% | 0.72 | 67% | 0.665 | S | S | * | * | S | Bend | trans | -98.9 | -4 | -176.7 | -161.6 | 73.5 | -135.9 | 0 | 0 | 114 | | |
| 26 | S | 54.4 | Low | 60.1 | Low | 57 Ų | 57 | 123 Ų | 123 | 40% | 0.399 | 66% | 0.664 | S | S | . | * | S | Bend | trans | -99.8 | -11.9 | -176.3 | -66.5 | 0 | 0 | 0 | 0 | 114.8 | Y23 | Y23-S26 WeakPolarHBondContact OH-CB 3.35Š|
| 27 | Q | 56.1 | Low | 59.5 | Low | 101 Ų | 101 | 120.6 Ų | 120.6 | 47% | 0.472 | 67% | 0.665 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -83.9 | -22 | -179.6 | -70.8 | -68.8 | -50 | 0 | 0 | 113.2 | Y23 | Y23-Q27 HydrophobicContact CD1-CG 4.43Å; Y23-Q27 HydrophobicContact CE1-CG 3.62Å; Y23-Q27 PolarHBondContact OH-NE2 3.45Å |
| 28 | S | 55.8 | Low | 59 | Low | 72 Ų | 72 | 119.6 Ų | 119.6 | 50% | 0.503 | 67% | 0.669 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -75.5 | -41.5 | 177 | 55.9 | 0 | 0 | 0 | 0 | 112.1 | L30 R31 S32 | S28-L30 VanDerWaalsContact C-N 3.33Å; S28-L30 PolarHBondContact O-N 3.25Å; S28-R31 PolarHBondContact O-N 3.35Å; S28-S32 PolarHBondContact O-N 3.11Å |
| 29 | S | 54.6 | Low | 58.6 | Low | 80 Ų | 80 | 120.6 Ų | 120.6 | 56% | 0.559 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -64.3 | -32.4 | -178.6 | -70.2 | 0 | 0 | 0 | 0 | 113.8 | R31 | S29-R31 VanDerWaalsContact C-N 3.32Å; S29-R31 PolarHBondContact O-N 3.11Å |
| 30 | L | 55.4 | Low | 58.4 | Low | 114 Ų | 114 | 122.9 Ų | 122.9 | 60% | 0.597 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -72.6 | -23.6 | 179.5 | -67.8 | 173.7 | 0 | 0 | 0 | 113.4 | S28 | S28-L30 VanDerWaalsContact C-N 3.33Å; S28-L30 PolarHBondContact O-N 3.25Å |
| 31 | R | 61.4 | Low | 58.2 | Low | 208 Ų | 208 | 120.8 Ų | 120.8 | 79% | 0.785 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -91.6 | -17.9 | -177.8 | -66.3 | -73.7 | 149.4 | 120.1 | -3.1 | 112.9 | S28 S29 | S28-R31 PolarHBondContact O-N 3.35Å; S29-R31 VanDerWaalsContact C-N 3.32Å; S29-R31 PolarHBondContact O-N 3.11Å |
| 32 | S | 55.3 | Low | 57.8 | Low | 94 Ų | 94 | 115.7 Ų | 115.7 | 66% | 0.657 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -85.6 | -12.7 | -178.9 | -151.8 | 0 | 0 | 0 | 0 | 114.4 | S28 Y34 | S28-S32 PolarHBondContact O-N 3.11Å; S32-Y34 VanDerWaalsContact C-N 3.35Å; S32-Y34 PolarHBondContact O-N 3.45Å |
| 33 | S | 57.9 | Low | 57.6 | Low | 95 Ų | 95 | 120.5 Ų | 120.5 | 66% | 0.664 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.1 | -2.7 | -175.3 | -68.6 | 0 | 0 | 0 | 0 | 116.1 | | |
| 34 | Y | 61 | Low | 57.3 | Low | 219 Ų | 219 | 119 Ų | 119 | 86% | 0.859 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.7 | 11.3 | 178.4 | -72.2 | -79.1 | 0 | 0 | 0 | 114.3 | S32 S36 | S32-Y34 VanDerWaalsContact C-N 3.35Å; S32-Y34 PolarHBondContact O-N 3.45Å; Y34-S36 PolarHBondContact O-N 3.39Å |
| 35 | S | 59.7 | Low | 57.2 | Low | 105 Ų | 105 | 116.9 Ų | 116.9 | 73% | 0.734 | 68% | 0.677 | S | S | * | * | | | trans | -96.7 | 68.7 | 170.5 | -156.3 | 0 | 0 | 0 | 0 | 110.6 | | |
| 36 | S | 56.6 | Low | 57 | Low | 96 Ų | 96 | 112.3 Ų | 112.3 | 67% | 0.671 | 66% | 0.662 | S | S | * | * | | | trans | -91.6 | 116 | 155.1 | -64.9 | 0 | 0 | 0 | 0 | 106.1 | Y34 T38 | Y34-S36 PolarHBondContact O-N 3.39Å; S36-T38 PolarHBondContact O-N 3.45Å |
| 37 | P | 56.9 | Low | 57.3 | Low | 115 Ų | 115 | 115.8 Ų | 115.8 | 75% | 0.747 | 68% | 0.683 | S | S | * | * | | | trans | -57.8 | 116.2 | 158.8 | 25 | -29.2 | 0 | 0 | 0 | 105.4 | S39 | P37-S39 VanDerWaalsContact C-N 3.3Å; P37-S39 PolarHBondContact O-N 2.95Å |
| 38 | T | 56.8 | Low | 57.5 | Low | 115 Ų | 115 | 120 Ų | 120 | 71% | 0.706 | 70% | 0.701 | S | S | * | * | | | trans | -52.2 | 104.9 | 166.6 | -59.5 | 0 | 0 | 0 | 0 | 106 | S36 L40 | S36-T38 PolarHBondContact O-N 3.45Å; T38-L40 HydrophobicContact CG2-CD2 3.84Å; T38-L40 HydrophobicContact CG2-CG 3.95Å; T38-L40 PolarHBondContact O-N 3.16Å |
| 39 | S | 57.5 | Low | 57.3 | Low | 93 Ų | 93 | 119.5 Ų | 119.5 | 65% | 0.65 | 70% | 0.697 | S | S | * | * | | | trans | -67.4 | 85.6 | 175 | -175.8 | 0 | 0 | 0 | 0 | 107.1 | P37 S41 | P37-S39 VanDerWaalsContact C-N 3.3Å; P37-S39 PolarHBondContact O-N 2.95Å; S39-S41 PolarHBondContact O-N 2.98Å; S39-S41 PolarHBondContact OG-OG 3.26Å |
| 40 | L | 58.1 | Low | 57.8 | Low | 149 Ų | 149 | 121 Ų | 121 | 78% | 0.78 | 71% | 0.705 | S | S | * | * | | | trans | -76.6 | 53.6 | 164 | -63.7 | 178.1 | 0 | 0 | 0 | 108.8 | T38 P42 | T38-L40 HydrophobicContact CG2-CD2 3.84Å; T38-L40 HydrophobicContact CG2-CG 3.95Å; T38-L40 PolarHBondContact O-N 3.16Å; L40-P42 WeakPolarHBondContact O-CD 3.21Å |
| 41 | S | 59 | Low | 58.2 | Low | 79 Ų | 79 | 120.9 Ų | 120.9 | 55% | 0.552 | 71% | 0.711 | S | S | * | * | | | trans | -74 | 110.2 | 156.2 | 43.3 | 0 | 0 | 0 | 0 | 105.6 | S39 R43 | S39-S41 PolarHBondContact O-N 2.98Å; S39-S41 PolarHBondContact OG-OG 3.26Å; S41-R43 PolarHBondContact O-N 2.95Å |
| 42 | P | 56 | Low | 58.1 | Low | 123 Ų | 123 | 116.6 Ų | 116.6 | 80% | 0.799 | 71% | 0.71 | S | S | * | * | | | trans | -57.6 | 112.7 | 170.8 | 23.4 | -30.6 | 0 | 0 | 0 | 106.5 | L40 A44 | L40-P42 WeakPolarHBondContact O-CD 3.21Å; P42-A44 PolarHBondContact O-N 3.31Å |
| 43 | R | 57.3 | Low | 58.3 | Low | 213 Ų | 213 | 117.6 Ų | 117.6 | 80% | 0.804 | 72% | 0.717 | S | S | * | * | | | trans | -59.4 | 105.5 | 175.5 | -174.6 | 82 | 177.1 | 179.5 | 1.4 | 106.2 | S41 G45 S46 | S41-R43 PolarHBondContact O-N 2.95Å; R43-G45 VanDerWaalsContact C-N 3.31Å; R43-G45 PolarHBondContact O-N 3.19Å; R43-S46 PolarHBondContact O-N 3.13Å |
| 44 | A | 55.6 | Low | 58.1 | Low | 106 Ų | 106 | 119 Ų | 119 | 88% | 0.876 | 73% | 0.727 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.2 | 98.9 | 168.3 | 0 | 0 | 0 | 0 | 0 | 107.2 | P42 | P42-A44 PolarHBondContact O-N 3.31Š|
| 45 | G | 56 | Low | 57.7 | Low | 67 Ų | 67 | 113.8 Ų | 113.8 | 69% | 0.691 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 132.7 | 7.2 | -174.1 | 0 | 0 | 0 | 0 | 0 | 116.8 | R43 | R43-G45 VanDerWaalsContact C-N 3.31Å; R43-G45 PolarHBondContact O-N 3.19Å |
| 46 | S | 55.8 | Low | 57.3 | Low | 57 Ų | 57 | 114.4 Ų | 114.4 | 40% | 0.399 | 73% | 0.727 | S | S | . | * | | | trans | -70.2 | 130.2 | 160.7 | 173.1 | 0 | 0 | 0 | 0 | 109.1 | R43 F48 S49 | R43-S46 PolarHBondContact O-N 3.13Å; S46-F48 PolarHBondContact O-N 2.96Å; S46-F48 PolarHBondContact OG-N 2.91Å; S46-S49 WeakPolarHBondContact CB-OG 3.42Å; S46-S49 WeakPolarHBondContact O-CB 3.48Å; S46-S49 PolarHBondContact O-N 2.94Å; S46-S49 PolarHBondContact O-OG 2.93Å |
| 47 | P | 61.2 | Low | 56.9 | Low | 130 Ų | 130 | 117.6 Ų | 117.6 | 84% | 0.844 | 74% | 0.735 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.8 | -6.7 | 179.1 | 27.2 | -34.4 | 0 | 0 | 0 | 113.5 | | |
| 48 | F | 59.8 | Low | 56.8 | Low | 191 Ų | 191 | 119 Ų | 119 | 84% | 0.838 | 74% | 0.742 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.9 | 19 | 173.3 | -78.8 | -80.9 | 0 | 0 | 0 | 113.7 | S46 | S46-F48 PolarHBondContact O-N 2.96Å; S46-F48 PolarHBondContact OG-N 2.91Å |
| 49 | S | 51.8 | Low | 56.3 | Low | 60 Ų | 60 | 116.8 Ų | 116.8 | 42% | 0.42 | 74% | 0.742 | S | S | . | * | P | Polyproline II helix | trans | -85.8 | 125.6 | 173.2 | -45.8 | 0 | 0 | 0 | 0 | 109.5 | S46 | S46-S49 WeakPolarHBondContact CB-OG 3.42Å; S46-S49 WeakPolarHBondContact O-CB 3.48Å; S46-S49 PolarHBondContact O-N 2.94Å; S46-S49 PolarHBondContact O-OG 2.93Å |
| 50 | P | 65.4 | Low | 56 | Low | 112 Ų | 112 | 121.3 Ų | 121.3 | 73% | 0.727 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 142.8 | 166.7 | 26.8 | -31.5 | 0 | 0 | 0 | 108.6 | | |
| 51 | P | 64.1 | Low | 55.7 | Low | 112 Ų | 112 | 118 Ų | 118 | 73% | 0.727 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 143.2 | -179.1 | 24.5 | -32.9 | 0 | 0 | 0 | 110.3 | S53 | P51-S53 PolarHBondContact O-N 2.79Š|
| 52 | P | 57.8 | Low | 55.6 | Low | 117 Ų | 117 | 119 Ų | 119 | 76% | 0.76 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 127.4 | 175.2 | 25.6 | -32.2 | 0 | 0 | 0 | 109 | S54 | P52-S54 PolarHBondContact O-N 2.99Š|
| 53 | S | 60.3 | Low | 55.2 | Low | 115 Ų | 115 | 118.9 Ų | 118.9 | 80% | 0.804 | 75% | 0.751 | S | S | * | * | | | trans | -55.4 | 115.7 | 175.2 | -65.9 | 0 | 0 | 0 | 0 | 109.6 | P51 S55 | P51-S53 PolarHBondContact O-N 2.79Å; S53-S55 PolarHBondContact O-N 3.36Å |
| 54 | S | 54.1 | Low | 55.1 | Low | 125 Ų | 125 | 114.4 Ų | 114.4 | 87% | 0.874 | 75% | 0.753 | S | S | * | * | | | trans | -65.5 | 91 | 176.2 | -46.2 | 0 | 0 | 0 | 0 | 110 | P52 | P52-S54 PolarHBondContact O-N 2.99Š|
| 55 | S | 52.9 | Low | 55.2 | Low | 109 Ų | 109 | 119.3 Ų | 119.3 | 76% | 0.762 | 75% | 0.749 | S | S | * | * | | | trans | -103.9 | 95.8 | 164 | 58.3 | 0 | 0 | 0 | 0 | 109.3 | S53 L57 | S53-S55 PolarHBondContact O-N 3.36Å; S55-L57 PolarHBondContact O-N 2.9Å |
| 56 | S | 51.4 | Low | 54.9 | Low | 119 Ų | 119 | 120 Ų | 120 | 83% | 0.832 | 74% | 0.743 | S | S | * | * | | | trans | -66.2 | 112.6 | 160.4 | 41.4 | 0 | 0 | 0 | 0 | 108.9 | | |
| 57 | L | 47.8 | Very low | 54.9 | Low | 163 Ų | 163 | 125.7 Ų | 125.7 | 85% | 0.853 | 76% | 0.761 | S | S | * | * | | | trans | -149.2 | 97.1 | 160.5 | -163.9 | 58.3 | 0 | 0 | 0 | 111.3 | S55 | S55-L57 PolarHBondContact O-N 2.9Š|
| 58 | T | 53.7 | Low | 54.8 | Low | 145 Ų | 145 | 128.3 Ų | 128.3 | 89% | 0.89 | 76% | 0.762 | S | S | * | * | | | trans | -50.3 | 127.3 | 156.3 | -61.5 | 0 | 0 | 0 | 0 | 110.3 | | |
| 59 | G | 47.7 | Very low | 54.3 | Low | 67 Ų | 67 | 124.2 Ų | 124.2 | 69% | 0.691 | 76% | 0.756 | S | S | * | * | | | trans | 148.8 | 96.4 | 166.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | A61 | G59-A61 PolarHBondContact O-N 3.37Š|
| 60 | E | 51.1 | Low | 54.2 | Low | 188 Ų | 188 | 129.4 Ų | 129.4 | 88% | 0.879 | 78% | 0.779 | S | S | * | * | | | trans | -46.3 | 127.5 | 163.8 | -90.7 | -73.9 | 158.9 | 0 | 0 | 112.5 | | |
| 61 | A | 52 | Low | 53.5 | Low | 81 Ų | 81 | 127.8 Ų | 127.8 | 67% | 0.669 | 78% | 0.775 | S | S | * | * | | | trans | -175.1 | 101.6 | 141.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | G59 I63 | G59-A61 PolarHBondContact O-N 3.37Å; A61-I63 PolarHBondContact O-N 2.95Å; A61-I63 VanDerWaalsContact O-N 3.11Å |
| 62 | A | 56.2 | Low | 52.5 | Low | 100 Ų | 100 | 128 Ų | 128 | 83% | 0.826 | 78% | 0.777 | S | S | * | * | | | trans | -59.5 | 108.8 | 165 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 63 | I | 48 | Very low | 52 | Low | 120 Ų | 120 | 128 Ų | 128 | 62% | 0.615 | 78% | 0.781 | S | S | * | * | | | trans | -137.5 | 92.8 | 158.1 | -50.6 | 179 | 0 | 0 | 0 | 108.4 | A61 R65 | A61-I63 PolarHBondContact O-N 2.95Å; A61-I63 VanDerWaalsContact O-N 3.11Å; I63-R65 PolarHBondContact O-N 2.77Å; I63-R65 VanDerWaalsContact O-N 3.11Å |
| 64 | S | 54.7 | Low | 51.8 | Low | 119 Ų | 119 | 128.2 Ų | 128.2 | 83% | 0.832 | 78% | 0.779 | S | S | * | * | | | trans | -64.9 | 100.4 | 166.4 | 175.9 | 0 | 0 | 0 | 0 | 109.6 | | |
| 65 | R | 56.9 | Low | 51.4 | Low | 209 Ų | 209 | 125.6 Ų | 125.6 | 79% | 0.789 | 77% | 0.772 | S | S | * | * | | | trans | -155.1 | 93.5 | 155.5 | -69.1 | -166.8 | -85.3 | -81 | 1.6 | 109.5 | I63 | I63-R65 PolarHBondContact O-N 2.77Å; I63-R65 VanDerWaalsContact O-N 3.11Å |
| 66 | S | 51 | Low | 51.4 | Low | 81 Ų | 81 | 128.4 Ų | 128.4 | 57% | 0.566 | 78% | 0.778 | S | S | * | * | | | trans | -66.8 | 157.1 | 156.5 | 55.8 | 0 | 0 | 0 | 0 | 108.4 | | |
| 67 | F | 55.3 | Low | 51.3 | Low | 176 Ų | 176 | 128.8 Ų | 128.8 | 77% | 0.772 | 78% | 0.777 | S | S | * | * | | | cis | -154.2 | 138.7 | 39.2 | -61.7 | -94.9 | 0 | 0 | 0 | 109.4 | | |
| 68 | Q | 58 | Low | 51.5 | Low | 186 Ų | 186 | 125.1 Ų | 125.1 | 87% | 0.869 | 77% | 0.77 | S | S | * | * | | | trans | 54.9 | 119.3 | 151.5 | -55.6 | -170.5 | 47.3 | 0 | 0 | 118.8 | | |
| 69 | S | 50.5 | Low | 51.5 | Low | 104 Ų | 104 | 122.7 Ų | 122.7 | 73% | 0.727 | 77% | 0.765 | S | S | * | * | | | trans | 89.9 | 99.3 | 160 | -160.6 | 0 | 0 | 0 | 0 | 116.6 | | |
| 70 | L | 49.3 | Very low | 51.8 | Low | 169 Ų | 169 | 125.7 Ų | 125.7 | 89% | 0.885 | 77% | 0.765 | S | S | * | * | | | | -150 | 79.8 | 122.3 | -78.1 | -179.5 | 0 | 0 | 0 | 105.1 | | |
| 71 | A | 49.7 | Very low | 52.1 | Low | 79 Ų | 79 | 126.4 Ų | 126.4 | 65% | 0.653 | 76% | 0.76 | S | S | * | * | | | | 47 | 92.6 | 101.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 72 | C | 44.3 | Very low | 52.2 | Low | 115 Ų | 115 | 130.6 Ų | 130.6 | 78% | 0.777 | 77% | 0.77 | S | S | * | * | | | trans | 31.1 | 112.8 | 151.5 | -150.9 | 0 | 0 | 0 | 0 | 117.8 | | |
| 73 | S | 48 | Very low | 51.9 | Low | 119 Ų | 119 | 130.9 Ų | 130.9 | 83% | 0.832 | 77% | 0.766 | S | S | * | * | | | trans | -144.4 | 101.3 | 150.7 | -71.2 | 0 | 0 | 0 | 0 | 108.7 | G75 | S73-G75 PolarHBondContact O-N 2.98Š|
| 74 | P | 55.8 | Low | 51.7 | Low | 119 Ų | 119 | 135.1 Ų | 135.1 | 77% | 0.773 | 78% | 0.776 | S | S | * | * | | | trans | -76.6 | 100.6 | 173.8 | 1.1 | 15.8 | 0 | 0 | 0 | 108.5 | | |
| 75 | G | 45.9 | Very low | 51.5 | Low | 70 Ų | 70 | 134.3 Ų | 134.3 | 72% | 0.722 | 77% | 0.771 | S | S | * | * | | | trans | -110.3 | 86.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | S73 P77 | S73-G75 PolarHBondContact O-N 2.98Å; G75-P77 WeakPolarHBondContact O-CD 3.45Å |
| 76 | L | 53 | Low | 51.2 | Low | 168 Ų | 168 | 127.8 Ų | 127.8 | 88% | 0.88 | 77% | 0.768 | S | S | * | * | | | trans | -64.7 | 141 | 165.9 | -67.9 | 170 | 0 | 0 | 0 | 109.6 | | |
| 77 | P | 48 | Very low | 51.5 | Low | 126 Ų | 126 | 135.1 Ų | 135.1 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | | | trans | -111 | 119.6 | 131.4 | 28.8 | -27.2 | 0 | 0 | 0 | 110.2 | G75 | G75-P77 WeakPolarHBondContact O-CD 3.45Š|
| 78 | A | 52.9 | Low | 51.5 | Low | 86 Ų | 86 | 132.9 Ų | 132.9 | 71% | 0.711 | 79% | 0.787 | S | S | * | * | | | trans | -62.9 | 148 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 79 | A | 52.6 | Low | 51.1 | Low | 95 Ų | 95 | 127.5 Ų | 127.5 | 79% | 0.785 | 78% | 0.781 | S | S | * | * | | | trans | 58.7 | 133.9 | 157.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 80 | D | 54 | Low | 51.6 | Low | 129 Ų | 129 | 126.4 Ų | 126.4 | 69% | 0.69 | 77% | 0.773 | S | S | * | * | | | | -168.8 | 128.9 | 77.8 | -156.8 | 29.8 | 0 | 0 | 0 | 110.8 | | |
| 81 | R | 57.7 | Low | 52.2 | Low | 204 Ų | 204 | 130.3 Ų | 130.3 | 77% | 0.77 | 78% | 0.776 | S | S | * | * | | | trans | 78.5 | 93.1 | 143.3 | -73.3 | 165.3 | 104.4 | 160.2 | 12.3 | 122.3 | | |
| 82 | L | 54.4 | Low | 52.5 | Low | 168 Ų | 168 | 135 Ų | 135 | 88% | 0.88 | 78% | 0.784 | S | S | * | * | | | | 32.4 | 124.4 | 111.8 | -67.7 | 169.7 | 0 | 0 | 0 | 119.6 | | |
| 83 | S | 50.3 | Low | 52.7 | Low | 107 Ų | 107 | 137.5 Ų | 137.5 | 75% | 0.748 | 78% | 0.784 | S | S | * | * | | | trans | 82.2 | 120.4 | 130.1 | -159.6 | 0 | 0 | 0 | 0 | 118.9 | | |
| 84 | Y | 44.4 | Very low | 52.7 | Low | 208 Ų | 208 | 135.4 Ų | 135.4 | 82% | 0.816 | 78% | 0.782 | S | S | * | * | | | | 177.1 | 131.5 | 101.6 | -162.1 | -110.3 | 0 | 0 | 0 | 112.5 | | |
| 85 | S | 49.6 | Very low | 52.9 | Low | 103 Ų | 103 | 136.6 Ų | 136.6 | 72% | 0.72 | 78% | 0.781 | S | S | * | * | | | trans | 66.4 | 129.3 | 159.7 | 70.8 | 0 | 0 | 0 | 0 | 118.5 | | |
| 86 | G | 51.7 | Low | 53.1 | Low | 72 Ų | 72 | 136.9 Ų | 136.9 | 74% | 0.742 | 78% | 0.783 | S | S | * | * | | | cis | 109.6 | 83.2 | 17.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 87 | R | 55.8 | Low | 53.3 | Low | 235 Ų | 235 | 140.7 Ų | 140.7 | 89% | 0.887 | 79% | 0.786 | S | S | * | * | | | trans | 170.7 | 129.2 | 140.9 | -105.1 | 173.3 | 178.8 | -103.6 | -1 | 113.7 | | |
| 88 | P | 55.7 | Low | 53.3 | Low | 129 Ų | 129 | 138 Ų | 138 | 84% | 0.838 | 78% | 0.781 | S | S | * | * | | | trans | -86.6 | 113.6 | 155.3 | 12.3 | 4.8 | 0 | 0 | 0 | 109.5 | S90 | P88-S90 PolarHBondContact O-N 3.27Š|
| 89 | G | 50.1 | Low | 53.6 | Low | 72 Ų | 72 | 143 Ų | 143 | 74% | 0.742 | 79% | 0.787 | S | S | * | * | | | trans | -81.8 | 109.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 90 | S | 60.8 | Low | 54 | Low | 81 Ų | 81 | 143.6 Ų | 143.6 | 57% | 0.566 | 78% | 0.782 | S | S | * | * | | | trans | 57.9 | 100.7 | 136.8 | -165.3 | 0 | 0 | 0 | 0 | 119.4 | P88 Q92 | P88-S90 PolarHBondContact O-N 3.27Å; S90-Q92 PolarHBondContact O-N 2.99Å; S90-Q92 WeakPolarHBondContact OG-CG 3.49Å; S90-Q92 PolarHBondContact OG-OE1 3.19Å |
| 91 | R | 61.3 | Low | 54.4 | Low | 251 Ų | 251 | 143 Ų | 143 | 95% | 0.947 | 79% | 0.786 | S | S | * | * | | | trans | -59.2 | 110.9 | 146.3 | -98.7 | -176.3 | 162 | -121.9 | 0.3 | 108.4 | | |
| 92 | Q | 56.2 | Low | 54.3 | Low | 177 Ų | 177 | 139.2 Ų | 139.2 | 83% | 0.827 | 79% | 0.788 | S | S | * | * | | | trans | -126.5 | 121.9 | 159.6 | -83 | 175.4 | -81.7 | 0 | 0 | 111.8 | S90 G94 | S90-Q92 PolarHBondContact O-N 2.99Å; S90-Q92 WeakPolarHBondContact OG-CG 3.49Å; S90-Q92 PolarHBondContact OG-OE1 3.19Å; Q92-G94 PolarHBondContact O-N 2.88Å |
| 93 | H | 49.1 | Very low | 54.4 | Low | 168 Ų | 168 | 134.4 Ų | 134.4 | 78% | 0.778 | 78% | 0.778 | S | S | * | * | | | trans | -70.3 | 105.7 | -174.5 | -159.9 | -130.2 | 0 | 0 | 0 | 109.5 | L95 | H93-L95 PolarHBondContact O-N 2.92Š|
| 94 | G | 48.6 | Very low | 54.7 | Low | 75 Ų | 75 | 141.5 Ų | 141.5 | 77% | 0.773 | 79% | 0.789 | S | S | * | * | | | trans | -85.3 | 102.9 | 168.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | Q92 G96 | Q92-G94 PolarHBondContact O-N 2.88Å; G94-G96 VanDerWaalsContact C-N 3.27Å; G94-G96 PolarHBondContact O-N 2.96Å |
| 95 | L | 58.5 | Low | 54.7 | Low | 145 Ų | 145 | 135.2 Ų | 135.2 | 76% | 0.759 | 79% | 0.787 | S | S | * | * | | | trans | -63.4 | 85.4 | 170.5 | -70.5 | 165.8 | 0 | 0 | 0 | 110 | H93 R97 | H93-L95 PolarHBondContact O-N 2.92Å; L95-R97 PolarHBondContact O-N 2.92Å; L95-R97 VanDerWaalsContact O-N 3.07Å |
| 96 | G | 50.7 | Low | 55 | Low | 75 Ų | 75 | 139.2 Ų | 139.2 | 77% | 0.773 | 80% | 0.799 | S | S | * | * | | | trans | -70.6 | 94.6 | 165.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | G94 G98 | G94-G96 VanDerWaalsContact C-N 3.27Å; G94-G96 PolarHBondContact O-N 2.96Å; G96-G98 PolarHBondContact O-N 3.07Å |
| 97 | R | 57.4 | Low | 54.8 | Low | 248 Ų | 248 | 139 Ų | 139 | 94% | 0.936 | 80% | 0.797 | S | S | * | * | | | trans | -59.7 | 133.3 | 167.2 | -65.2 | -172.6 | -175.7 | -139.7 | 3 | 109.1 | L95 | L95-R97 PolarHBondContact O-N 2.92Å; L95-R97 VanDerWaalsContact O-N 3.07Å |
| 98 | G | 48.1 | Very low | 54.5 | Low | 69 Ų | 69 | 133.3 Ų | 133.3 | 71% | 0.711 | 79% | 0.794 | S | S | * | * | | | trans | 113.2 | 82.7 | 159.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | G96 P100 | G96-G98 PolarHBondContact O-N 3.07Å; G98-P100 WeakPolarHBondContact O-CD 3.37Å |
| 99 | K | 58.8 | Low | 54.6 | Low | 193 Ų | 193 | 134.4 Ų | 134.4 | 84% | 0.839 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -73.7 | 119 | 153.7 | -178.1 | -177.4 | -178.4 | 172.9 | 0 | 107.7 | | |
| 100 | P | 61.5 | Low | 54.8 | Low | 106 Ų | 106 | 139 Ų | 139 | 69% | 0.688 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -74.7 | 144.9 | 165.4 | 28.8 | -29.8 | 0 | 0 | 0 | 110 | G98 | G98-P100 WeakPolarHBondContact O-CD 3.37Š|
| 101 | P | 61.2 | Low | 54.5 | Low | 118 Ų | 118 | 143.1 Ų | 143.1 | 77% | 0.766 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 150.1 | -175.1 | 27.9 | -34.4 | 0 | 0 | 0 | 112.4 | G103 | P101-G103 PolarHBondContact O-N 3.26Š|
| 102 | P | 57.1 | Low | 54.3 | Low | 124 Ų | 124 | 135.9 Ų | 135.9 | 81% | 0.805 | 80% | 0.803 | S | S | * | * | | | trans | -79.3 | 115.6 | 172.6 | 31.9 | -29.6 | 0 | 0 | 0 | 109.3 | | |
| 103 | G | 55.8 | Low | 53.9 | Low | 66 Ų | 66 | 131.8 Ų | 131.8 | 68% | 0.68 | 80% | 0.8 | S | S | * | * | | | trans | 159.5 | 122.2 | 162.7 | 0 | 0 | 0 | 0 | 0 | 116.8 | P101 | P101-G103 PolarHBondContact O-N 3.26Š|
| 104 | R | 56.1 | Low | 53.8 | Low | 257 Ų | 257 | 128 Ų | 128 | 97% | 0.97 | 81% | 0.807 | S | S | * | * | | | trans | 78.3 | 73.9 | 143.4 | -51.6 | -179 | -166.6 | -118.7 | 2.5 | 116.5 | | |
| 105 | G | 44.7 | Very low | 54.2 | Low | 76 Ų | 76 | 133.3 Ų | 133.3 | 78% | 0.784 | 81% | 0.808 | S | S | * | * | | | trans | -124.5 | 103.5 | 147.8 | 0 | 0 | 0 | 0 | 0 | 108 | G107 | G105-G107 VanDerWaalsContact C-N 3.31Å; G105-G107 PolarHBondContact O-N 2.85Å |
| 106 | L | 56.1 | Low | 53.7 | Low | 186 Ų | 186 | 131.7 Ų | 131.7 | 97% | 0.974 | 81% | 0.809 | S | S | * | * | | | trans | -67.4 | 93.5 | 171 | -70.1 | 168.7 | 0 | 0 | 0 | 107.7 | | |
| 107 | G | 47.5 | Very low | 54 | Low | 67 Ų | 67 | 138.8 Ų | 138.8 | 69% | 0.691 | 81% | 0.812 | S | S | * | * | | | trans | -78.2 | 127.7 | 170.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | G105 | G105-G107 VanDerWaalsContact C-N 3.31Å; G105-G107 PolarHBondContact O-N 2.85Å |
| 108 | S | 50.2 | Low | 53.6 | Low | 117 Ų | 117 | 130 Ų | 130 | 82% | 0.818 | 80% | 0.799 | S | S | * | * | | | trans | 81.3 | 84.7 | 152.1 | -50 | 0 | 0 | 0 | 0 | 117.4 | Q110 | S108-Q110 VanDerWaalsContact C-N 3.27Å; S108-Q110 PolarHBondContact O-N 3.2Å |
| 109 | L | 56.3 | Low | 53.8 | Low | 152 Ų | 152 | 132.9 Ų | 132.9 | 80% | 0.796 | 80% | 0.803 | S | S | * | * | | | trans | -65.5 | 92.6 | 149.1 | -173.2 | 76.6 | 0 | 0 | 0 | 108.2 | D111 | L109-D111 PolarHBondContact O-N 2.83Š|
| 110 | Q | 54.6 | Low | 53.5 | Low | 169 Ų | 169 | 127.7 Ų | 127.7 | 79% | 0.79 | 81% | 0.805 | S | S | * | * | | | trans | 29.5 | 81.9 | 133.6 | -57.5 | 170 | 99.4 | 0 | 0 | 116.4 | S108 | S108-Q110 VanDerWaalsContact C-N 3.27Å; S108-Q110 PolarHBondContact O-N 3.2Å |
| 111 | D | 54.2 | Low | 53 | Low | 166 Ų | 166 | 125.4 Ų | 125.4 | 89% | 0.888 | 80% | 0.8 | S | S | * | * | | | trans | -98.4 | 100 | 154.6 | -90.7 | -50.3 | 0 | 0 | 0 | 108.4 | L109 | L109-D111 PolarHBondContact O-N 2.83Š|
| 112 | A | 57 | Low | 52.7 | Low | 99 Ų | 99 | 125.4 Ų | 125.4 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | | | trans | 162.1 | 102.3 | 149.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 113 | A | 48.9 | Very low | 52.7 | Low | 92 Ų | 92 | 125 Ų | 125 | 76% | 0.76 | 80% | 0.798 | S | S | * | * | | | trans | 179.2 | 73.9 | 141.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | K115 | A113-K115 PolarHBondContact O-N 2.96Š|
| 114 | G | 47.4 | Very low | 52.7 | Low | 89 Ų | 89 | 127.6 Ų | 127.6 | 92% | 0.918 | 80% | 0.8 | S | S | * | * | | | trans | -69.2 | 77.3 | 156.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | S116 | G114-S116 PolarHBondContact O-N 3.43Å; G114-S116 VanDerWaalsContact O-N 3.16Å |
| 115 | K | 55.6 | Low | 52.7 | Low | 185 Ų | 185 | 121.7 Ų | 121.7 | 80% | 0.804 | 79% | 0.793 | S | S | * | * | | | trans | -83 | 86.7 | 173.4 | -160.7 | 96.4 | 167.9 | -173.5 | 0 | 107.8 | A113 R117 | A113-K115 PolarHBondContact O-N 2.96Å; K115-R117 PolarHBondContact O-N 3.43Å |
| 116 | S | 49 | Very low | 53.2 | Low | 112 Ų | 112 | 126 Ų | 126 | 78% | 0.783 | 79% | 0.793 | S | S | * | * | | | trans | -51.6 | 106.5 | 164.3 | 170.8 | 0 | 0 | 0 | 0 | 109.1 | G114 G118 | G114-S116 PolarHBondContact O-N 3.43Å; G114-S116 VanDerWaalsContact O-N 3.16Å; S116-G118 VanDerWaalsContact C-N 3.26Å; S116-G118 PolarHBondContact O-N 2.99Å |
| 117 | R | 56.7 | Low | 53.1 | Low | 223 Ų | 223 | 125.6 Ų | 125.6 | 84% | 0.842 | 79% | 0.79 | S | S | * | * | | | trans | -86.7 | 74.4 | 165.3 | -83.7 | -177.5 | 148 | -164.9 | -5.1 | 107.8 | K115 T119 | K115-R117 PolarHBondContact O-N 3.43Å; R117-T119 VanDerWaalsContact C-N 3.31Å; R117-T119 PolarHBondContact O-N 3.28Å |
| 118 | G | 49 | Very low | 53.4 | Low | 63 Ų | 63 | 129.7 Ų | 129.7 | 65% | 0.649 | 80% | 0.795 | S | S | * | * | | | trans | -76.8 | 85.5 | 158.2 | 0 | 0 | 0 | 0 | 0 | 108.6 | S116 G120 | S116-G118 VanDerWaalsContact C-N 3.26Å; S116-G118 PolarHBondContact O-N 2.99Å; G118-G120 PolarHBondContact O-N 3.02Å |
| 119 | T | 52 | Low | 53.3 | Low | 130 Ų | 130 | 130 Ų | 130 | 80% | 0.798 | 80% | 0.798 | S | S | * | * | | | trans | -76.2 | 75.7 | 166.1 | 51.6 | 0 | 0 | 0 | 0 | 108.4 | R117 G121 | R117-T119 VanDerWaalsContact C-N 3.31Å; R117-T119 PolarHBondContact O-N 3.28Å; T119-G121 PolarHBondContact O-N 3.41Å |
| 120 | G | 52.8 | Low | 53.1 | Low | 85 Ų | 85 | 127.1 Ų | 127.1 | 88% | 0.876 | 80% | 0.796 | S | S | * | * | | | trans | -77.9 | 94.2 | 160.4 | 0 | 0 | 0 | 0 | 0 | 108.5 | G118 | G118-G120 PolarHBondContact O-N 3.02Š|
| 121 | G | 51.9 | Low | 52.8 | Low | 58 Ų | 58 | 127.1 Ų | 127.1 | 60% | 0.598 | 80% | 0.8 | S | S | * | * | | | trans | -138.8 | 139.6 | 167.7 | 0 | 0 | 0 | 0 | 0 | 108.3 | T119 | T119-G121 PolarHBondContact O-N 3.41Š|
| 122 | P | 54.2 | Low | 52.5 | Low | 117 Ų | 117 | 124 Ų | 124 | 76% | 0.76 | 80% | 0.797 | S | S | * | * | | | trans | -64.5 | 155.8 | -166.8 | 27.7 | -35.1 | 0 | 0 | 0 | 111.9 | T124 | P122-T124 PolarHBondContact O-N 2.85Å; P122-T124 VanDerWaalsContact O-N 3.13Å |
| 123 | P | 57.1 | Low | 51.9 | Low | 116 Ų | 116 | 123 Ų | 123 | 75% | 0.753 | 80% | 0.797 | S | S | * | * | | | trans | -59.1 | 122.2 | 173.6 | 26.1 | -32.9 | 0 | 0 | 0 | 108.9 | V125 | P123-V125 PolarHBondContact O-N 3.47Š|
| 124 | T | 55.8 | Low | 52 | Low | 120 Ų | 120 | 124.1 Ų | 124.1 | 74% | 0.736 | 80% | 0.799 | S | S | * | * | | | trans | -52.7 | 104.3 | 161.6 | -65.3 | 0 | 0 | 0 | 0 | 107.3 | P122 Q126 | P122-T124 PolarHBondContact O-N 2.85Å; P122-T124 VanDerWaalsContact O-N 3.13Å; T124-Q126 VanDerWaalsContact C-N 3.34Å; T124-Q126 PolarHBondContact O-N 3.5Å |
| 125 | V | 56.3 | Low | 52.7 | Low | 134 Ų | 134 | 126 Ų | 126 | 81% | 0.812 | 80% | 0.795 | S | S | * | * | | | trans | -64 | 102.5 | 165.3 | -86.3 | 0 | 0 | 0 | 0 | 106.6 | P123 L127 | P123-V125 PolarHBondContact O-N 3.47Å; V125-L127 PolarHBondContact O-N 3.07Å |
| 126 | Q | 54.2 | Low | 52.1 | Low | 167 Ų | 167 | 121.2 Ų | 121.2 | 78% | 0.78 | 80% | 0.798 | S | S | * | * | | | trans | -58.4 | 101.5 | 169.9 | -68.7 | -81.3 | 50.9 | 0 | 0 | 107.4 | T124 L128 | T124-Q126 VanDerWaalsContact C-N 3.34Å; T124-Q126 PolarHBondContact O-N 3.5Å; Q126-L128 PolarHBondContact O-N 3.41Å |
| 127 | L | 54.5 | Low | 51.7 | Low | 177 Ų | 177 | 123.4 Ų | 123.4 | 93% | 0.927 | 84% | 0.839 | S | S | * | * | | | trans | -73.9 | 83.2 | 168.5 | -173.4 | 74.9 | 0 | 0 | 0 | 107.5 | V125 | V125-L127 PolarHBondContact O-N 3.07Š|
| 128 | L | 53.2 | Low | 51.4 | Low | 152 Ų | 152 | 118.4 Ų | 118.4 | 80% | 0.796 | 84% | 0.838 | S | S | * | * | | | trans | -146.7 | 95.7 | 163.8 | -161.2 | 75 | 0 | 0 | 0 | 110 | Q126 | Q126-L128 PolarHBondContact O-N 3.41Š|
| 129 | S | 48.5 | Very low | 51.6 | Low | 124 Ų | 124 | 121.3 Ų | 121.3 | 87% | 0.867 | 85% | 0.848 | S | S | * | * | | | trans | -152.7 | 103.2 | 143.9 | -77.7 | 0 | 0 | 0 | 0 | 108.2 | | |
| 130 | A | 52.3 | Low | 51.5 | Low | 91 Ų | 91 | 120.8 Ų | 120.8 | 75% | 0.752 | 85% | 0.851 | S | S | * | * | | | trans | -66.4 | 162.2 | 157.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 131 | L | 47.5 | Very low | 51.5 | Low | 170 Ų | 170 | 122.9 Ų | 122.9 | 89% | 0.89 | 85% | 0.85 | S | S | * | * | | | trans | 108.4 | 122.4 | 145.5 | -156.2 | 69.8 | 0 | 0 | 0 | 117.6 | | |
| 132 | A | 49.7 | Very low | 51.4 | Low | 99 Ų | 99 | 127 Ų | 127 | 82% | 0.818 | 87% | 0.865 | S | S | * | * | | | trans | 79.7 | 120.3 | 150.1 | 0 | 0 | 0 | 0 | 0 | 119.4 | | |
| 133 | G | 42.6 | Very low | 51.3 | Low | 80 Ų | 80 | 127.7 Ų | 127.7 | 83% | 0.825 | 87% | 0.872 | S | S | * | * | | | trans | 145.5 | 71.1 | 152.7 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 134 | S | 51.5 | Low | 50.8 | Low | 114 Ų | 114 | 128.5 Ų | 128.5 | 80% | 0.797 | 88% | 0.881 | S | S | * | * | | | trans | -74.8 | -177.5 | 161.6 | -152.3 | 0 | 0 | 0 | 0 | 110.2 | | |
| 135 | P | 62.1 | Low | 50.5 | Low | 129 Ų | 129 | 129.2 Ų | 129.2 | 84% | 0.838 | 89% | 0.892 | S | S | * | * | | | | -98.3 | 177.3 | -114.3 | 37.2 | -19.3 | 0 | 0 | 0 | 115 | | |
| 136 | G | 43.2 | Very low | 50 | Low | 84 Ų | 84 | 128.8 Ų | 128.8 | 87% | 0.866 | 90% | 0.899 | S | S | * | * | | | trans | 148.9 | 130.7 | 154.2 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 137 | G | 40.6 | Very low | 49.6 | Very low | 158 Ų | 158 | 125.3 Ų | 125.3 | 100% | 1.629 | 91% | 0.909 | S | S | * | * | | | trans | 155.3 | 0 | 170.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |