| 1 | M | 45.8 | Very low | 50.1 | Low | 240 Ų | 240 | 166.2 Ų | 166.2 | 100% | 1.182 | 85% | 0.848 | S | S | * | * | | | | 0 | 119.6 | 0 | -74.9 | 171.4 | 177 | 0 | 0 | 107.5 | | |
| 2 | A | 41.2 | Very low | 49.8 | Very low | 83 Ų | 83 | 158.1 Ų | 158.1 | 69% | 0.686 | 84% | 0.837 | S | S | * | * | | | trans | 154.4 | 92.8 | 154 | 0 | 0 | 0 | 0 | 0 | 108.7 | | |
| 3 | H | 45.1 | Very low | 49.7 | Very low | 172 Ų | 172 | 156.4 Ų | 156.4 | 80% | 0.796 | 84% | 0.836 | S | S | * | * | | | trans | -69.5 | 126.5 | 158.6 | 16 | -105.7 | 0 | 0 | 0 | 108.5 | | |
| 4 | E | 48.6 | Very low | 49.9 | Very low | 186 Ų | 186 | 153.3 Ų | 153.3 | 87% | 0.869 | 83% | 0.829 | S | S | * | * | | | trans | -121.3 | 107.3 | 166.9 | -64.3 | -86.3 | 101.9 | 0 | 0 | 106.8 | | |
| 5 | S | 46.9 | Very low | 50.1 | Low | 110 Ų | 110 | 150.9 Ų | 150.9 | 77% | 0.769 | 83% | 0.827 | S | S | * | * | | | trans | -82.2 | 132.1 | 178.9 | -168 | 0 | 0 | 0 | 0 | 110 | | |
| 6 | E | 52.9 | Low | 49.8 | Very low | 182 Ų | 182 | 145.9 Ų | 145.9 | 85% | 0.85 | 82% | 0.821 | S | S | * | * | | | trans | 52.1 | 112.3 | 141.2 | -161.3 | 164.7 | 90 | 0 | 0 | 119.3 | | |
| 7 | R | 53.4 | Low | 49.6 | Very low | 241 Ų | 241 | 147.2 Ų | 147.2 | 91% | 0.909 | 82% | 0.818 | S | S | * | * | | | trans | -162.4 | 148.7 | 130.3 | 51.4 | 179.8 | 158.1 | -169 | -8.2 | 111.9 | | |
| 8 | S | 48.1 | Very low | 49.7 | Very low | 88 Ų | 88 | 144.9 Ų | 144.9 | 62% | 0.615 | 81% | 0.811 | S | S | * | * | | | trans | 104.8 | 80.8 | 155.9 | -145.9 | 0 | 0 | 0 | 0 | 115.6 | R10 | S8-R10 PolarHBondContact O-N 3.06Å; S8-R10 VanDerWaalsContact O-N 3.15Å |
| 9 | S | 55 | Low | 49.6 | Very low | 125 Ų | 125 | 141.9 Ų | 141.9 | 87% | 0.874 | 81% | 0.807 | S | S | * | * | | | trans | -34.6 | 113.2 | 143.6 | -45.6 | 0 | 0 | 0 | 0 | 111.5 | | |
| 10 | R | 58.8 | Low | 50 | Low | 218 Ų | 218 | 143.5 Ų | 143.5 | 82% | 0.823 | 81% | 0.807 | S | S | * | * | | | trans | -143.1 | 100 | 159.6 | -70.1 | -170.2 | 175.9 | -111.8 | -1.7 | 108.2 | S8 | S8-R10 PolarHBondContact O-N 3.06Å; S8-R10 VanDerWaalsContact O-N 3.15Å |
| 11 | L | 55.3 | Low | 50.3 | Low | 183 Ų | 183 | 144.7 Ų | 144.7 | 96% | 0.958 | 81% | 0.81 | S | S | * | * | | | trans | 17 | 125.5 | 138.2 | -62.7 | 165.2 | 0 | 0 | 0 | 116.9 | | |
| 12 | G | 46.3 | Very low | 49.9 | Very low | 69 Ų | 69 | 136.6 Ų | 136.6 | 71% | 0.711 | 79% | 0.788 | S | S | * | * | | | trans | 136.5 | 65.8 | 160.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | P14 | G12-P14 VanDerWaalsContact O-CD 3.24Å; G12-P14 WeakPolarHBondContact O-CD 3.44Å |
| 13 | V | 48.2 | Very low | 50.3 | Low | 136 Ų | 136 | 136.7 Ų | 136.7 | 82% | 0.824 | 80% | 0.798 | S | S | * | * | | | trans | -65.5 | 115.2 | 155.7 | 177.9 | 0 | 0 | 0 | 0 | 104.9 | C15 | V13-C15 PolarHBondContact O-N 3.48Š|
| 14 | P | 53 | Low | 50.3 | Low | 113 Ų | 113 | 134 Ų | 134 | 73% | 0.734 | 79% | 0.789 | S | S | * | * | | | trans | -61.6 | 124.5 | 168.5 | 26.8 | -30.8 | 0 | 0 | 0 | 106.4 | G12 G16 | G12-P14 VanDerWaalsContact O-CD 3.24Å; G12-P14 WeakPolarHBondContact O-CD 3.44Å; P14-G16 PolarHBondContact O-N 3.06Å |
| 15 | C | 52.9 | Low | 50.5 | Low | 118 Ų | 118 | 129.9 Ų | 129.9 | 80% | 0.797 | 79% | 0.787 | S | S | * | * | | | trans | -37.1 | 114.8 | 170 | -68.8 | 0 | 0 | 0 | 0 | 109.4 | V13 E17 | V13-C15 PolarHBondContact O-N 3.48Å; C15-E17 VanDerWaalsContact C-N 3.28Å; C15-E17 PolarHBondContact O-N 2.9Å; C15-E17 VanDerWaalsContact O-N 3.08Å |
| 16 | G | 45 | Very low | 51.1 | Low | 71 Ų | 71 | 128.1 Ų | 128.1 | 73% | 0.732 | 77% | 0.774 | S | S | * | * | | | trans | -68.2 | 99.9 | 154 | 0 | 0 | 0 | 0 | 0 | 105.6 | P14 P18 | P14-G16 PolarHBondContact O-N 3.06Å; G16-P18 VanDerWaalsContact O-CD 3.3Å; G16-P18 WeakPolarHBondContact O-CD 3.33Å |
| 17 | E | 47.1 | Very low | 51.2 | Low | 167 Ų | 167 | 127.2 Ų | 127.2 | 78% | 0.78 | 77% | 0.77 | S | S | * | * | | | trans | -54.2 | 119.9 | 156.4 | -74.9 | -175.4 | 89.8 | 0 | 0 | 106.8 | C15 A19 | C15-E17 VanDerWaalsContact C-N 3.28Å; C15-E17 PolarHBondContact O-N 2.9Å; C15-E17 VanDerWaalsContact O-N 3.08Å; E17-A19 PolarHBondContact O-N 2.8Å; E17-A19 VanDerWaalsContact O-N 3.13Å |
| 18 | P | 50.1 | Low | 51.2 | Low | 107 Ų | 107 | 124 Ų | 124 | 70% | 0.695 | 77% | 0.766 | S | S | * | * | | | trans | -66.2 | 110.3 | 152.7 | 28.7 | -26.3 | 0 | 0 | 0 | 104.8 | G16 E20 | G16-P18 VanDerWaalsContact O-CD 3.3Å; G16-P18 WeakPolarHBondContact O-CD 3.33Å; P18-E20 PolarHBondContact O-N 2.96Å |
| 19 | A | 48 | Very low | 51.9 | Low | 87 Ų | 87 | 126.5 Ų | 126.5 | 72% | 0.719 | 77% | 0.772 | S | S | * | * | | | trans | -55 | 110.6 | 171.5 | 0 | 0 | 0 | 0 | 0 | 108.8 | E17 L21 | E17-A19 PolarHBondContact O-N 2.8Å; E17-A19 VanDerWaalsContact O-N 3.13Å; A19-L21 PolarHBondContact O-N 3.09Å |
| 20 | E | 58.5 | Low | 52.7 | Low | 174 Ų | 174 | 127.5 Ų | 127.5 | 81% | 0.813 | 76% | 0.763 | S | S | * | * | | | trans | -54.6 | 89.7 | 150.9 | 26.2 | -102.3 | 76.7 | 0 | 0 | 109.5 | P18 | P18-E20 PolarHBondContact O-N 2.96Š|
| 21 | L | 56.1 | Low | 53.8 | Low | 168 Ų | 168 | 120 Ų | 120 | 88% | 0.88 | 74% | 0.742 | S | S | * | * | | | trans | -148.2 | 92.1 | 163.4 | -170.5 | 64.1 | 0 | 0 | 0 | 110.2 | A19 | A19-L21 PolarHBondContact O-N 3.09Š|
| 22 | G | 36.8 | Very low | 55.4 | Low | 70 Ų | 70 | 114.8 Ų | 114.8 | 72% | 0.722 | 71% | 0.713 | S | S | * | * | | | trans | 143.1 | 65.8 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | D24 | G22-D24 PolarHBondContact O-N 3.14Š|
| 23 | G | 50 | Low | 57.6 | Low | 85 Ų | 85 | 114.9 Ų | 114.9 | 88% | 0.876 | 70% | 0.699 | S | S | * | * | | | trans | -66.1 | 82.4 | 157.4 | 0 | 0 | 0 | 0 | 0 | 107.8 | A25 | G23-A25 PolarHBondContact O-N 3.42Š|
| 24 | D | 44.8 | Very low | 59.7 | Low | 117 Ų | 117 | 108.6 Ų | 108.6 | 63% | 0.626 | 66% | 0.662 | S | S | * | * | | | trans | -70.3 | 93.9 | 160.4 | -166.8 | -109.9 | 0 | 0 | 0 | 105.6 | G22 S26 | G22-D24 PolarHBondContact O-N 3.14Å; D24-S26 PolarHBondContact O-N 3.31Å; D24-S26 WeakPolarHBondContact OD1-CB 3.08Å |
| 25 | A | 53.1 | Low | 61.5 | Low | 99 Ų | 99 | 108.3 Ų | 108.3 | 82% | 0.818 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.7 | 65 | 175.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | G23 | G23-A25 PolarHBondContact O-N 3.42Š|
| 26 | S | 59 | Low | 63.2 | Low | 72 Ų | 72 | 107.3 Ų | 107.3 | 50% | 0.503 | 65% | 0.651 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -148.8 | 7.1 | 179.6 | -164.8 | 0 | 0 | 0 | 0 | 115.1 | D24 | D24-S26 PolarHBondContact O-N 3.31Å; D24-S26 WeakPolarHBondContact OD1-CB 3.08Å |
| 27 | E | 55.3 | Low | 65.3 | Low | 164 Ų | 164 | 106.8 Ų | 106.8 | 77% | 0.766 | 64% | 0.635 | S | S | * | * | S | Bend | trans | -100.9 | 2.4 | 176.3 | 60.6 | -177.5 | 85.9 | 0 | 0 | 115.1 | | |
| 28 | E | 54.7 | Low | 67.5 | Low | 173 Ų | 173 | 103.3 Ų | 103.3 | 81% | 0.808 | 63% | 0.628 | S | S | * | * | S | Bend | trans | -109.1 | -0.1 | -173.3 | -71.2 | 166.5 | 91.2 | 0 | 0 | 115.6 | | |
| 29 | D | 62.4 | Low | 69.4 | Low | 141 Ų | 141 | 99.9 Ų | 99.9 | 75% | 0.754 | 61% | 0.609 | S | S | * | * | | | trans | -111.4 | 29.3 | -175.8 | -159.3 | -116.4 | 0 | 0 | 0 | 113.6 | P31 | D29-P31 VanDerWaalsContact O-CD 3.25Å; D29-P31 WeakPolarHBondContact O-CD 3.3Å |
| 30 | H | 70.4 | Confident | 71.6 | Confident | 146 Ų | 146 | 102.2 Ų | 102.2 | 68% | 0.676 | 61% | 0.605 | S | S | * | * | | | trans | -104.3 | 97.9 | 170.5 | -63 | 93.1 | 0 | 0 | 0 | 109 | Q32 | H30-Q32 PolarHBondContact O-N 2.78Š|
| 31 | P | 82.4 | Confident | 73.2 | Confident | 59 Ų | 59 | 95.5 Ų | 95.5 | 38% | 0.383 | 57% | 0.573 | S | S | . | * | | | trans | -59.2 | 123.9 | 179.2 | 20.9 | -30.3 | 0 | 0 | 0 | 110.2 | D29 Q40 F41 | D29-P31 VanDerWaalsContact O-CD 3.25Å; D29-P31 WeakPolarHBondContact O-CD 3.3Å; P31-Q40 HydrophobicContact CB-CB 4.23Å; P31-F41 CarbonylContact C-O 3.58Å; P31-F41 WeakPolarHBondContact CA-O 3.45Å |
| 32 | Q | 90.1 | Very high | 74.8 | Confident | 74 Ų | 74 | 93.2 Ų | 93.2 | 35% | 0.346 | 57% | 0.566 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -76.3 | 130.2 | 177 | -65.9 | -173.9 | 56.9 | 0 | 0 | 109.6 | H30 Q40 F41 F47 | H30-Q32 PolarHBondContact O-N 2.78Å; Q32-Q40 CarbonylContact O-C 3.49Å; Q32-Q40 WeakPolarHBondContact O-CA 3.5Å; Q32-F41 PolarHBondContact N-O 2.94Å; Q32-F41 PolarHBondContact O-N 3.43Å; Q32-F47 HydrophobicContact CB-CB 4.4Å; Q32-F47 HydrophobicContact CB-CD1 4.09Å; Q32-F47 HydrophobicContact CB-CD2 3.98Å; Q32-F47 HydrophobicContact CB-CE1 4.34Å; Q32-F47 HydrophobicContact CB-CE2 4.23Å; Q32-F47 HydrophobicContact CB-CG 3.89Å; Q32-F47 HydrophobicContact CB-CZ 4.41Å |
| 33 | V | 92.1 | Very high | 77.4 | Confident | 72 Ų | 72 | 92.9 Ų | 92.9 | 44% | 0.436 | 55% | 0.548 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 130.2 | -174.3 | -166.9 | 0 | 0 | 0 | 0 | 110.7 | A35 C38 A39 Q40 | V33-A35 PolarHBondContact O-N 3.13Å; V33-C38 HydrophobicContact CG1-CB 4.44Å; V33-A39 CarbonylContact C-O 3.55Å; V33-A39 WeakPolarHBondContact CA-O 3.3Å; V33-Q40 HydrophobicContact CG1-CG 4.28Å; V33-Q40 HydrophobicContact CG2-CG 3.89Å |
| 34 | C | 92.5 | Very high | 79.2 | Confident | 4 Ų | 4 | 91.9 Ų | 91.9 | 3% | 0.027 | 53% | 0.526 | C | S | . | . | | | trans | -72.9 | 121.4 | 177 | -172.6 | 0 | 0 | 0 | 0 | 110.7 | K36 C37 C38 A39 F41 F47 | C34-K36 PolarHBondContact O-N 3.36Å; C34-K36 VanDerWaalsContact O-N 3.08Å; C34-C37 PolarHBondContact O-N 2.91Å; C34-C38 WeakPolarHBondContact O-CA 3.07Å; C34-C38 PolarHBondContact O-N 3.39Å; C34-A39 PolarHBondContact N-O 3.47Å; C34-F41 HydrophobicContact CB-CE2 4.44Å; C34-F47 HydrophobicContact CB-CE2 4.2Å |
| 35 | A | 89.4 | Confident | 81.5 | Confident | 106 Ų | 106 | 91.3 Ų | 91.3 | 88% | 0.876 | 53% | 0.527 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | -15 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | V33 | V33-A35 PolarHBondContact O-N 3.13Š|
| 36 | K | 88.9 | Confident | 83.4 | Confident | 98 Ų | 98 | 92.3 Ų | 92.3 | 43% | 0.426 | 52% | 0.515 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.7 | -34.1 | -176 | -72.7 | -179 | -176.2 | 170.6 | 0 | 113.8 | C34 Q51 C54 T56 | C34-K36 PolarHBondContact O-N 3.36Å; C34-K36 VanDerWaalsContact O-N 3.08Å; K36-Q51 PolarHBondContact NZ-O 3.21Å; K36-C54 VanDerWaalsContact CB-SG 3.56Å; K36-C54 HydrophobicContact CD-CB 4.17Å; K36-C54 WeakPolarHBondContact CD-O 3.47Å; K36-C54 WeakPolarHBondContact CE-O 3.44Å; K36-C54 PolarHBondContact NZ-O 2.95Å; K36-T56 VanDerWaalsContact CB-OG1 3.3Å; K36-T56 WeakPolarHBondContact CB-OG1 3.31Å; K36-T56 PolarHBondContact O-OG1 3.12Å |
| 37 | C | 90.1 | Very high | 85 | Confident | 60 Ų | 60 | 90 Ų | 90 | 41% | 0.405 | 50% | 0.495 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -136.7 | -1.3 | -172.6 | 70.4 | 0 | 0 | 0 | 0 | 113.9 | C34 A39 H50 | C34-C37 PolarHBondContact O-N 2.91Å; C37-A39 PolarHBondContact O-N 3.13Å; C37-A39 VanDerWaalsContact O-N 3.16Å; C37-A39 WeakPolarHBondContact SG-CB 3.39Å; C37-A39 PolarHBondContact SG-N 3.4Å; C37-A39 VanDerWaalsContact SG-N 3.44Å; C37-H50 PolarHBondContact SG-NE2 2.99Å |
| 38 | C | 91.9 | Very high | 86.8 | Confident | 94 Ų | 94 | 86.6 Ų | 86.6 | 64% | 0.635 | 48% | 0.482 | S | S | * | . | | | trans | 60.6 | 16 | -177.6 | -54.4 | 0 | 0 | 0 | 0 | 115.4 | V33 C34 | V33-C38 HydrophobicContact CG1-CB 4.44Å; C34-C38 WeakPolarHBondContact O-CA 3.07Å; C34-C38 PolarHBondContact O-N 3.39Å |
| 39 | A | 90.7 | Very high | 88.7 | Confident | 35 Ų | 35 | 81.4 Ų | 81.4 | 29% | 0.289 | 47% | 0.469 | S | S | . | . | | | trans | -67.7 | 136.9 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | V33 C34 C37 F41 | V33-A39 CarbonylContact C-O 3.55Å; V33-A39 WeakPolarHBondContact CA-O 3.3Å; C34-A39 PolarHBondContact N-O 3.47Å; C37-A39 PolarHBondContact O-N 3.13Å; C37-A39 VanDerWaalsContact O-N 3.16Å; C37-A39 WeakPolarHBondContact SG-CB 3.39Å; C37-A39 PolarHBondContact SG-N 3.4Å; C37-A39 VanDerWaalsContact SG-N 3.44Å; A39-F41 HydrophobicContact CB-CE2 3.6Å; A39-F41 HydrophobicContact CB-CZ 3.93Å; A39-F41 WeakPolarHBondContact O-CD2 3.2Å; A39-F41 WeakPolarHBondContact O-CE2 3.05Å |
| 40 | Q | 94.6 | Very high | 90.2 | Very high | 136 Ų | 136 | 77 Ų | 77 | 64% | 0.636 | 44% | 0.444 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 142.2 | -179.6 | -57.8 | -168.2 | 17.1 | 0 | 0 | 110.8 | P31 Q32 V33 | P31-Q40 HydrophobicContact CB-CB 4.23Å; Q32-Q40 CarbonylContact O-C 3.49Å; Q32-Q40 WeakPolarHBondContact O-CA 3.5Å; V33-Q40 HydrophobicContact CG1-CG 4.28Å; V33-Q40 HydrophobicContact CG2-CG 3.89Å |
| 41 | F | 91.8 | Very high | 91.2 | Very high | 33 Ų | 33 | 74.5 Ų | 74.5 | 15% | 0.145 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 131.5 | -177.4 | -62.8 | -92.6 | 0 | 0 | 0 | 109.6 | P31 Q32 C34 A39 E46 F47 H50 | P31-F41 CarbonylContact C-O 3.58Å; P31-F41 WeakPolarHBondContact CA-O 3.45Å; Q32-F41 PolarHBondContact N-O 2.94Å; Q32-F41 PolarHBondContact O-N 3.43Å; C34-F41 HydrophobicContact CB-CE2 4.44Å; A39-F41 HydrophobicContact CB-CE2 3.6Å; A39-F41 HydrophobicContact CB-CZ 3.93Å; A39-F41 WeakPolarHBondContact O-CD2 3.2Å; A39-F41 WeakPolarHBondContact O-CE2 3.05Å; F41-E46 HydrophobicContact CD1-CB 4.03Å; F41-F47 HydrophobicContact CB-CB 3.82Å; F41-F47 HydrophobicContact CB-CD2 4.31Å; F41-F47 HydrophobicContact CD2-CB 4.38Å; F41-F47 AromaticContact CD2-CD2 3.62Å; F41-F47 HydrophobicContact CD2-CD2 3.62Å; F41-F47 HydrophobicContact CD2-CE2 4.47Å; F41-F47 HydrophobicContact CD2-CG 4.49Å; F41-F47 HydrophobicContact CE2-CD2 4.28Å; F41-F47 HydrophobicContact CG-CB 4.07Å; F41-F47 HydrophobicContact CG-CD2 4.16Å; F41-H50 HydrophobicContact CE1-CB 3.87Å; F41-H50 HydrophobicContact CE2-CB 4.08Å; F41-H50 AromaticContact CE2-CD2 3.56Å; F41-H50 AromaticContact CE2-CG 3.7Å; F41-H50 HydrophobicContact CZ-CB 3.52Å; F41-H50 AromaticContact CZ-CD2 3.55Å; F41-H50 AromaticContact CZ-CE1 3.9Å; F41-H50 AromaticContact CZ-CG 3.21Å; F41-H50 AromaticContact CZ-ND1 3.47Å; F41-H50 WeakPolarHBondContact CZ-ND1 3.25Å; F41-H50 AromaticContact CZ-NE2 3.99Å |
| 42 | T | 90.8 | Very high | 91.5 | Very high | 119 Ų | 119 | 78 Ų | 78 | 73% | 0.73 | 45% | 0.447 | S | S | * | . | S | Bend | trans | -88.8 | -23.2 | 172.8 | 52 | 0 | 0 | 0 | 0 | 111.7 | | |
| 43 | D | 90.4 | Very high | 91.5 | Very high | 63 Ų | 63 | 78.2 Ų | 78.2 | 34% | 0.337 | 46% | 0.462 | S | S | . | . | S | Bend | trans | -100.1 | 126.3 | 177 | -173.7 | -87 | 0 | 0 | 0 | 111.6 | T45 E46 F47 | D43-T45 VanDerWaalsContact C-N 3.31Å; D43-T45 PolarHBondContact O-N 2.7Å; D43-T45 VanDerWaalsContact OD1-CA 3.25Å; D43-T45 WeakPolarHBondContact OD1-CA 3.49Å; D43-T45 WeakPolarHBondContact OD1-CB 3.48Å; D43-T45 PolarHBondContact OD1-N 3.45Å; D43-T45 PolarHBondContact OD1-OG1 2.76Å; D43-E46 HydrophobicContact CB-CB 4.13Å; D43-E46 HydrophobicContact CB-CG 3.97Å; D43-E46 PolarHBondContact O-N 3.1Å; D43-E46 PolarHBondContact OD1-N 3.12Å; D43-F47 PolarHBondContact O-N 2.91Å |
| 44 | P | 87.6 | Confident | 91.5 | Very high | 65 Ų | 65 | 75.5 Ų | 75.5 | 42% | 0.422 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -66.6 | -30.9 | -179.6 | 25.2 | -33 | 0 | 0 | 0 | 112.9 | F47 L48 | P44-F47 PolarHBondContact O-N 2.81Å; P44-L48 WeakPolarHBondContact O-CD1 3.41Å; P44-L48 PolarHBondContact O-N 3.16Å |
| 45 | T | 93 | Very high | 91 | Very high | 105 Ų | 105 | 80.3 Ų | 80.3 | 64% | 0.644 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -70.3 | -42.8 | 179.8 | -46.6 | 0 | 0 | 0 | 0 | 110.4 | D43 L48 A49 | D43-T45 VanDerWaalsContact C-N 3.31Å; D43-T45 PolarHBondContact O-N 2.7Å; D43-T45 VanDerWaalsContact OD1-CA 3.25Å; D43-T45 WeakPolarHBondContact OD1-CA 3.49Å; D43-T45 WeakPolarHBondContact OD1-CB 3.48Å; D43-T45 PolarHBondContact OD1-N 3.45Å; D43-T45 PolarHBondContact OD1-OG1 2.76Å; T45-L48 PolarHBondContact O-N 3.09Å; T45-A49 PolarHBondContact O-N 3.03Å |
| 46 | E | 92.8 | Very high | 90 | Very high | 120 Ų | 120 | 79.5 Ų | 79.5 | 56% | 0.561 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -63.8 | -41.9 | 173.9 | -66 | -172.3 | 169.3 | 0 | 0 | 111.8 | F41 D43 L48 A49 H50 | F41-E46 HydrophobicContact CD1-CB 4.03Å; D43-E46 HydrophobicContact CB-CB 4.13Å; D43-E46 HydrophobicContact CB-CG 3.97Å; D43-E46 PolarHBondContact O-N 3.1Å; D43-E46 PolarHBondContact OD1-N 3.12Å; E46-L48 PolarHBondContact O-N 2.93Å; E46-A49 PolarHBondContact O-N 3.42Å; E46-H50 VanDerWaalsContact O-CB 3.31Å; E46-H50 WeakPolarHBondContact O-CB 3.1Å; E46-H50 PolarHBondContact O-N 3.16Å |
| 47 | F | 93.4 | Very high | 89.1 | Confident | 22 Ų | 22 | 81.5 Ų | 81.5 | 10% | 0.096 | 48% | 0.48 | C | S | . | . | H | α-helix | trans | -58.6 | -46.4 | 174.8 | 178.4 | -114.9 | 0 | 0 | 0 | 112.2 | Q32 C34 F41 D43 P44 H50 Q51 | Q32-F47 HydrophobicContact CB-CB 4.4Å; Q32-F47 HydrophobicContact CB-CD1 4.09Å; Q32-F47 HydrophobicContact CB-CD2 3.98Å; Q32-F47 HydrophobicContact CB-CE1 4.34Å; Q32-F47 HydrophobicContact CB-CE2 4.23Å; Q32-F47 HydrophobicContact CB-CG 3.89Å; Q32-F47 HydrophobicContact CB-CZ 4.41Å; C34-F47 HydrophobicContact CB-CE2 4.2Å; F41-F47 HydrophobicContact CB-CB 3.82Å; F41-F47 HydrophobicContact CB-CD2 4.31Å; F41-F47 HydrophobicContact CD2-CB 4.38Å; F41-F47 AromaticContact CD2-CD2 3.62Å; F41-F47 HydrophobicContact CD2-CD2 3.62Å; F41-F47 HydrophobicContact CD2-CE2 4.47Å; F41-F47 HydrophobicContact CD2-CG 4.49Å; F41-F47 HydrophobicContact CE2-CD2 4.28Å; F41-F47 HydrophobicContact CG-CB 4.07Å; F41-F47 HydrophobicContact CG-CD2 4.16Å; D43-F47 PolarHBondContact O-N 2.91Å; P44-F47 PolarHBondContact O-N 2.81Å; F47-H50 PolarHBondContact O-N 2.92Å; F47-Q51 WeakPolarHBondContact O-CB 3.45Å; F47-Q51 PolarHBondContact O-N 2.79Å |
| 48 | L | 92.1 | Very high | 87.9 | Confident | 93 Ų | 93 | 82.8 Ų | 82.8 | 49% | 0.487 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -63.8 | -44.9 | 178.4 | -97.5 | 74.2 | 0 | 0 | 0 | 111.7 | P44 T45 E46 H50 Q51 N52 | P44-L48 WeakPolarHBondContact O-CD1 3.41Å; P44-L48 PolarHBondContact O-N 3.16Å; T45-L48 PolarHBondContact O-N 3.09Å; E46-L48 PolarHBondContact O-N 2.93Å; L48-H50 VanDerWaalsContact C-N 3.28Å; L48-H50 PolarHBondContact O-N 2.9Å; L48-Q51 PolarHBondContact O-N 2.96Å; L48-N52 PolarHBondContact O-N 3.15Å; L48-N52 PolarHBondContact O-ND2 2.88Å |
| 49 | A | 94.6 | Very high | 87 | Confident | 64 Ų | 64 | 83.9 Ų | 83.9 | 53% | 0.529 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -60 | -42.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | T45 E46 N52 A53 | T45-A49 PolarHBondContact O-N 3.03Å; E46-A49 PolarHBondContact O-N 3.42Å; A49-N52 PolarHBondContact O-N 2.99Å; A49-A53 PolarHBondContact O-N 2.85Å |
| 50 | H | 94.2 | Very high | 86.3 | Confident | 50 Ų | 50 | 88 Ų | 88 | 23% | 0.231 | 51% | 0.514 | C | S | . | . | H | α-helix | trans | -64.9 | -44.1 | 176.4 | -179 | 85.3 | 0 | 0 | 0 | 112.5 | C37 F41 E46 F47 L48 N52 A53 C54 | C37-H50 PolarHBondContact SG-NE2 2.99Å; F41-H50 HydrophobicContact CE1-CB 3.87Å; F41-H50 HydrophobicContact CE2-CB 4.08Å; F41-H50 AromaticContact CE2-CD2 3.56Å; F41-H50 AromaticContact CE2-CG 3.7Å; F41-H50 HydrophobicContact CZ-CB 3.52Å; F41-H50 AromaticContact CZ-CD2 3.55Å; F41-H50 AromaticContact CZ-CE1 3.9Å; F41-H50 AromaticContact CZ-CG 3.21Å; F41-H50 AromaticContact CZ-ND1 3.47Å; F41-H50 WeakPolarHBondContact CZ-ND1 3.25Å; F41-H50 AromaticContact CZ-NE2 3.99Å; E46-H50 VanDerWaalsContact O-CB 3.31Å; E46-H50 WeakPolarHBondContact O-CB 3.1Å; E46-H50 PolarHBondContact O-N 3.16Å; F47-H50 PolarHBondContact O-N 2.92Å; L48-H50 VanDerWaalsContact C-N 3.28Å; L48-H50 PolarHBondContact O-N 2.9Å; H50-N52 PolarHBondContact O-N 3.13Å; H50-A53 PolarHBondContact O-N 3.09Å; H50-A53 VanDerWaalsContact O-N 3.1Å; H50-C54 WeakPolarHBondContact O-CB 3.34Å; H50-C54 PolarHBondContact O-N 3.47Å |
| 51 | Q | 91.6 | Very high | 85.5 | Confident | 93 Ų | 93 | 89.6 Ų | 89.6 | 44% | 0.435 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -57.1 | -37.6 | 179.7 | -174.3 | -174.6 | 91.9 | 0 | 0 | 112.4 | K36 F47 L48 | K36-Q51 PolarHBondContact NZ-O 3.21Å; F47-Q51 WeakPolarHBondContact O-CB 3.45Å; F47-Q51 PolarHBondContact O-N 2.79Å; L48-Q51 PolarHBondContact O-N 2.96Å |
| 52 | N | 89.6 | Confident | 84.9 | Confident | 131 Ų | 131 | 93.5 Ų | 93.5 | 70% | 0.701 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -74.1 | -31.7 | 178.7 | -73.5 | -64.4 | 0 | 0 | 0 | 113.1 | L48 A49 H50 | L48-N52 PolarHBondContact O-N 3.15Å; L48-N52 PolarHBondContact O-ND2 2.88Å; A49-N52 PolarHBondContact O-N 2.99Å; H50-N52 PolarHBondContact O-N 3.13Å |
| 53 | A | 90.3 | Very high | 84.3 | Confident | 80 Ų | 80 | 95.4 Ų | 95.4 | 66% | 0.661 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -93.3 | -22.9 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | A49 H50 S55 | A49-A53 PolarHBondContact O-N 2.85Å; H50-A53 PolarHBondContact O-N 3.09Å; H50-A53 VanDerWaalsContact O-N 3.1Å; A53-S55 PolarHBondContact O-N 3.32Å |
| 54 | C | 91.2 | Very high | 83.6 | Confident | 15 Ų | 15 | 99.5 Ų | 99.5 | 10% | 0.101 | 58% | 0.575 | C | S | . | * | | | trans | -72.6 | 110.4 | -176.7 | -172.6 | 0 | 0 | 0 | 0 | 109.7 | K36 H50 | K36-C54 VanDerWaalsContact CB-SG 3.56Å; K36-C54 HydrophobicContact CD-CB 4.17Å; K36-C54 WeakPolarHBondContact CD-O 3.47Å; K36-C54 WeakPolarHBondContact CE-O 3.44Å; K36-C54 PolarHBondContact NZ-O 2.95Å; H50-C54 WeakPolarHBondContact O-CB 3.34Å; H50-C54 PolarHBondContact O-N 3.47Å |
| 55 | S | 83 | Confident | 82.8 | Confident | 105 Ų | 105 | 99.3 Ų | 99.3 | 73% | 0.734 | 58% | 0.584 | S | S | * | * | | | trans | -116.6 | 121.8 | 170 | -71.9 | 0 | 0 | 0 | 0 | 108.5 | A53 D57 | A53-S55 PolarHBondContact O-N 3.32Å; S55-D57 PolarHBondContact O-N 3.21Å |
| 56 | T | 68 | Low | 81.6 | Confident | 89 Ų | 89 | 97.6 Ų | 97.6 | 55% | 0.546 | 59% | 0.588 | S | S | . | * | | | trans | -91.8 | 79.8 | 172.4 | -29.4 | 0 | 0 | 0 | 0 | 107.4 | K36 P58 | K36-T56 VanDerWaalsContact CB-OG1 3.3Å; K36-T56 WeakPolarHBondContact CB-OG1 3.31Å; K36-T56 PolarHBondContact O-OG1 3.12Å; T56-P58 WeakPolarHBondContact O-CD 3.15Å |
| 57 | D | 69.3 | Low | 79.8 | Confident | 140 Ų | 140 | 100.7 Ų | 100.7 | 75% | 0.749 | 60% | 0.602 | S | S | * | * | | | trans | -89.8 | 97.3 | 160.6 | -163.8 | 41.5 | 0 | 0 | 0 | 106.7 | S55 | S55-D57 PolarHBondContact O-N 3.21Š|
| 58 | P | 65.7 | Low | 78 | Confident | 86 Ų | 86 | 108 Ų | 108 | 56% | 0.558 | 64% | 0.637 | S | S | * | * | | | trans | -61.4 | 127.8 | 173.3 | 24.9 | -31.2 | 0 | 0 | 0 | 107.7 | T56 V60 | T56-P58 WeakPolarHBondContact O-CD 3.15Å; P58-V60 PolarHBondContact O-N 2.66Å |
| 59 | P | 71.7 | Confident | 75.9 | Confident | 117 Ų | 117 | 109.6 Ų | 109.6 | 76% | 0.76 | 65% | 0.645 | S | S | * | * | | | trans | -59.9 | 113.5 | -179.9 | 23.4 | -32.3 | 0 | 0 | 0 | 109.2 | M61 | P59-M61 PolarHBondContact O-N 2.94Š|
| 60 | V | 77.3 | Confident | 74.4 | Confident | 122 Ų | 122 | 112 Ų | 112 | 74% | 0.739 | 66% | 0.655 | S | S | * | * | | | trans | -67.6 | 104.2 | 175.4 | 178.5 | 0 | 0 | 0 | 0 | 107.7 | P58 V62 | P58-V60 PolarHBondContact O-N 2.66Å; V60-V62 HydrophobicContact CG1-CG2 4.28Å; V60-V62 PolarHBondContact O-N 3.47Å |
| 61 | M | 76.5 | Confident | 72.7 | Confident | 170 Ų | 170 | 116.2 Ų | 116.2 | 84% | 0.837 | 68% | 0.68 | S | S | * | * | | | trans | -75.6 | 105.7 | 170.6 | -70.9 | -164.4 | -65.9 | 0 | 0 | 109.3 | P59 I63 | P59-M61 PolarHBondContact O-N 2.94Å; M61-I63 PolarHBondContact O-N 2.96Å |
| 62 | V | 80.3 | Confident | 70.9 | Confident | 115 Ų | 115 | 118 Ų | 118 | 70% | 0.697 | 69% | 0.693 | S | S | * | * | | | trans | -80.5 | 103.1 | 170.3 | -177.6 | 0 | 0 | 0 | 0 | 108.2 | V60 I64 | V60-V62 HydrophobicContact CG1-CG2 4.28Å; V60-V62 PolarHBondContact O-N 3.47Å; V62-I64 HydrophobicContact CG1-CG1 4Å; V62-I64 PolarHBondContact O-N 3.07Å; V62-I64 VanDerWaalsContact O-N 3.12Å |
| 63 | I | 77.6 | Confident | 68.8 | Low | 159 Ų | 159 | 117.8 Ų | 117.8 | 82% | 0.815 | 70% | 0.701 | S | S | * | * | | | trans | -75.7 | 97.5 | 167.7 | -56.7 | 172.1 | 0 | 0 | 0 | 106.6 | M61 G65 | M61-I63 PolarHBondContact O-N 2.96Å; I63-G65 VanDerWaalsContact C-N 3.32Å; I63-G65 PolarHBondContact O-N 3.34Å |
| 64 | I | 76.9 | Confident | 67.2 | Low | 149 Ų | 149 | 120.1 Ų | 120.1 | 76% | 0.764 | 71% | 0.713 | S | S | * | * | | | trans | -70.5 | 95.5 | 170.1 | -56.3 | 178.3 | 0 | 0 | 0 | 106.5 | V62 G66 | V62-I64 HydrophobicContact CG1-CG1 4Å; V62-I64 PolarHBondContact O-N 3.07Å; V62-I64 VanDerWaalsContact O-N 3.12Å; I64-G66 PolarHBondContact O-N 3.29Å; I64-G66 VanDerWaalsContact O-N 3.15Å |
| 65 | G | 69 | Low | 64.8 | Low | 60 Ų | 60 | 123.9 Ų | 123.9 | 62% | 0.619 | 75% | 0.745 | S | S | * | * | | | trans | -56.9 | 118.1 | 167.7 | 0 | 0 | 0 | 0 | 0 | 108.3 | I63 Q67 | I63-G65 VanDerWaalsContact C-N 3.32Å; I63-G65 PolarHBondContact O-N 3.34Å; G65-Q67 PolarHBondContact O-N 3.44Å |
| 66 | G | 69.6 | Low | 63 | Low | 70 Ų | 70 | 124.3 Ų | 124.3 | 72% | 0.722 | 75% | 0.748 | S | S | * | * | | | trans | -55.5 | 111.5 | 172.6 | 0 | 0 | 0 | 0 | 0 | 108.5 | I64 E68 | I64-G66 PolarHBondContact O-N 3.29Å; I64-G66 VanDerWaalsContact O-N 3.15Å; G66-E68 VanDerWaalsContact C-N 3.31Å; G66-E68 PolarHBondContact O-N 3.38Å |
| 67 | Q | 54.6 | Low | 61.8 | Low | 184 Ų | 184 | 125.5 Ų | 125.5 | 86% | 0.86 | 76% | 0.76 | S | S | * | * | | | trans | -65 | 98.4 | 169.5 | -174.6 | -171.4 | 33.8 | 0 | 0 | 107 | G65 N69 | G65-Q67 PolarHBondContact O-N 3.44Å; Q67-N69 PolarHBondContact O-N 3.44Å; Q67-N69 VanDerWaalsContact O-N 3.09Å |
| 68 | E | 55.9 | Low | 60.8 | Low | 177 Ų | 177 | 127.9 Ų | 127.9 | 83% | 0.827 | 77% | 0.766 | S | S | * | * | | | trans | -57.3 | 110.6 | 162.1 | 56.6 | -163.1 | 105 | 0 | 0 | 108.1 | G66 P70 | G66-E68 VanDerWaalsContact C-N 3.31Å; G66-E68 PolarHBondContact O-N 3.38Å; E68-P70 WeakPolarHBondContact O-CD 3.34Å |
| 69 | N | 47.4 | Very low | 60.3 | Low | 125 Ų | 125 | 129.3 Ų | 129.3 | 67% | 0.668 | 78% | 0.776 | S | S | * | * | | | trans | -72.5 | 116.3 | 171.5 | 177.5 | 32.2 | 0 | 0 | 0 | 108.3 | Q67 N71 | Q67-N69 PolarHBondContact O-N 3.44Å; Q67-N69 VanDerWaalsContact O-N 3.09Å; N69-N71 PolarHBondContact O-N 2.79Å |
| 70 | P | 63.3 | Low | 59.5 | Low | 114 Ų | 114 | 135.5 Ų | 135.5 | 74% | 0.74 | 78% | 0.784 | S | S | * | * | | | trans | -81.7 | 107.8 | 174.9 | 31.7 | -26 | 0 | 0 | 0 | 108 | E68 | E68-P70 WeakPolarHBondContact O-CD 3.34Š|
| 71 | N | 57.6 | Low | 58.2 | Low | 139 Ų | 139 | 134 Ų | 134 | 74% | 0.743 | 78% | 0.777 | S | S | * | * | S | Bend | trans | 92.3 | 139.3 | 159.7 | -147.3 | -4.8 | 0 | 0 | 0 | 116.5 | N69 | N69-N71 PolarHBondContact O-N 2.79Š|
| 72 | N | 54.5 | Low | 57 | Low | 131 Ų | 131 | 134.9 Ų | 134.9 | 70% | 0.701 | 78% | 0.779 | S | S | * | * | | | trans | 67.1 | 93.9 | 167.3 | 86.9 | -10.8 | 0 | 0 | 0 | 122.2 | | |
| 73 | S | 45.6 | Very low | 55.2 | Low | 127 Ų | 127 | 133.4 Ų | 133.4 | 89% | 0.888 | 79% | 0.787 | S | S | * | * | | | trans | -166.2 | 91.4 | 131.7 | -82.2 | 0 | 0 | 0 | 0 | 110.3 | | |
| 74 | S | 55.9 | Low | 53.8 | Low | 129 Ų | 129 | 134.3 Ų | 134.3 | 90% | 0.902 | 79% | 0.787 | S | S | * | * | | | trans | -77.6 | 124.9 | 160.2 | -53 | 0 | 0 | 0 | 0 | 108.9 | | |
| 75 | A | 40.4 | Very low | 52.2 | Low | 93 Ų | 93 | 132.4 Ų | 132.4 | 77% | 0.769 | 78% | 0.779 | S | S | * | * | | | trans | 174.5 | 110.6 | 148.5 | 0 | 0 | 0 | 0 | 0 | 108.9 | | |
| 76 | S | 45.2 | Very low | 51.1 | Low | 114 Ų | 114 | 135.3 Ų | 135.3 | 80% | 0.797 | 78% | 0.78 | S | S | * | * | | | | 84.7 | 120.6 | 102.2 | -165.9 | 0 | 0 | 0 | 0 | 112.1 | | |
| 77 | S | 44.4 | Very low | 50.6 | Low | 114 Ų | 114 | 137 Ų | 137 | 80% | 0.797 | 78% | 0.778 | S | S | * | * | | | | -149.3 | 148.8 | 50 | -80.4 | 0 | 0 | 0 | 0 | 113.9 | | |
| 78 | E | 47.1 | Very low | 50.4 | Low | 190 Ų | 190 | 136.1 Ų | 136.1 | 89% | 0.888 | 77% | 0.774 | S | S | * | * | | | trans | -67.8 | 173 | 175.2 | -110.6 | 175.6 | 71 | 0 | 0 | 114.6 | | |
| 79 | P | 55.8 | Low | 50.3 | Low | 117 Ų | 117 | 134.5 Ų | 134.5 | 76% | 0.76 | 78% | 0.776 | S | S | * | * | | | trans | -83.8 | 161.6 | -163.7 | 36.9 | -36.5 | 0 | 0 | 0 | 113 | | |
| 80 | R | 53.8 | Low | 50.9 | Low | 246 Ų | 246 | 137.6 Ų | 137.6 | 93% | 0.928 | 79% | 0.789 | S | S | * | * | | | trans | -119.3 | 141.2 | 173.7 | -167.5 | 169.3 | 178.1 | 157.7 | 0.7 | 112.3 | | |
| 81 | P | 51.8 | Low | 50.4 | Low | 92 Ų | 92 | 138.5 Ų | 138.5 | 60% | 0.597 | 79% | 0.787 | S | S | * | * | | | trans | -98.1 | 165.3 | -156.2 | 36.5 | -30.4 | 0 | 0 | 0 | 115.9 | | |
| 82 | E | 51.1 | Low | 50 | Low | 188 Ų | 188 | 138.2 Ų | 138.2 | 88% | 0.879 | 79% | 0.791 | S | S | * | * | | | trans | 29.4 | 122 | 154.9 | -73.4 | 86.6 | 113.9 | 0 | 0 | 121.4 | | |
| 83 | G | 42.1 | Very low | 49.9 | Very low | 84 Ų | 84 | 140 Ų | 140 | 87% | 0.866 | 80% | 0.795 | S | S | * | * | | | trans | -144.6 | 133.1 | 160.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 84 | H | 47.9 | Very low | 49.9 | Very low | 177 Ų | 177 | 142.2 Ų | 142.2 | 82% | 0.819 | 79% | 0.791 | S | S | * | * | | | trans | -105.3 | 153.7 | -153 | 170.4 | 70.1 | 0 | 0 | 0 | 113.9 | | |
| 85 | N | 42.5 | Very low | 49.3 | Very low | 110 Ų | 110 | 141 Ų | 141 | 59% | 0.588 | 78% | 0.782 | S | S | * | * | | | trans | 96.5 | 107 | 146.4 | -140.8 | -102.6 | 0 | 0 | 0 | 122.2 | | |
| 86 | N | 46.3 | Very low | 49.4 | Very low | 121 Ų | 121 | 143.9 Ų | 143.9 | 65% | 0.647 | 79% | 0.785 | S | S | * | * | | | | 77.1 | 140.5 | 125 | -145.4 | 36.1 | 0 | 0 | 0 | 121.7 | | |
| 87 | P | 58.5 | Low | 50 | Low | 104 Ų | 104 | 143.6 Ų | 143.6 | 68% | 0.675 | 78% | 0.78 | S | S | * | * | | | trans | -85.4 | 141.5 | -167.2 | 36.3 | -28.3 | 0 | 0 | 0 | 111.9 | | |
| 88 | Q | 51.6 | Low | 50.3 | Low | 166 Ų | 166 | 143.9 Ų | 143.9 | 78% | 0.776 | 78% | 0.78 | S | S | * | * | | | trans | -120.3 | 107.6 | 176.6 | -47.9 | -62.9 | -38.7 | 0 | 0 | 108.4 | | |
| 89 | V | 52.9 | Low | 50.5 | Low | 143 Ų | 143 | 142.1 Ų | 142.1 | 87% | 0.867 | 78% | 0.776 | S | S | * | * | | | trans | -63.6 | 133.7 | 160.9 | -73.3 | 0 | 0 | 0 | 0 | 109.4 | | |
| 90 | M | 61.4 | Low | 50.2 | Low | 191 Ų | 191 | 142.1 Ų | 142.1 | 94% | 0.941 | 78% | 0.779 | S | S | * | * | | | trans | -142.3 | 121.3 | 137.1 | 68.5 | 174.7 | 157.3 | 0 | 0 | 109.5 | | |
| 91 | D | 52.1 | Low | 50.1 | Low | 132 Ų | 132 | 134.2 Ų | 134.2 | 71% | 0.706 | 77% | 0.774 | S | S | * | * | | | trans | -85.1 | 137.8 | 168.7 | -174.9 | -77.6 | 0 | 0 | 0 | 108.2 | | |
| 92 | T | 50 | Low | 49.7 | Very low | 134 Ų | 134 | 135.7 Ų | 135.7 | 82% | 0.822 | 79% | 0.786 | S | S | * | * | | | trans | -165.1 | 109 | 155 | -85.7 | 0 | 0 | 0 | 0 | 109.9 | | |
| 93 | E | 51.2 | Low | 49.5 | Very low | 167 Ų | 167 | 132 Ų | 132 | 78% | 0.78 | 78% | 0.781 | S | S | * | * | | | trans | -53 | 132.6 | 160.1 | -55 | 172.7 | 75.1 | 0 | 0 | 112 | | |
| 94 | H | 46.6 | Very low | 49.6 | Very low | 175 Ų | 175 | 134.2 Ų | 134.2 | 81% | 0.81 | 78% | 0.778 | S | S | * | * | | | trans | -179.7 | 129.3 | 137.7 | -130.7 | -108.1 | 0 | 0 | 0 | 114.6 | | |
| 95 | S | 42.8 | Very low | 49.5 | Very low | 102 Ų | 102 | 130.9 Ų | 130.9 | 71% | 0.713 | 77% | 0.772 | S | S | * | * | | | trans | 69.4 | 125.5 | 147.3 | -67.1 | 0 | 0 | 0 | 0 | 122.8 | | |
| 96 | N | 42.8 | Very low | 49.7 | Very low | 155 Ų | 155 | 132.3 Ų | 132.3 | 83% | 0.829 | 79% | 0.785 | S | S | * | * | | | trans | -92.7 | 167.5 | 149.6 | -115.8 | -65.6 | 0 | 0 | 0 | 109.4 | | |
| 97 | P | 58 | Low | 49.6 | Very low | 107 Ų | 107 | 132.1 Ų | 132.1 | 70% | 0.695 | 78% | 0.784 | S | S | * | * | | | | -116.9 | -168.7 | -66.1 | 33.5 | -13.7 | 0 | 0 | 0 | 111.7 | | |
| 98 | P | 50.8 | Low | 49.2 | Very low | 121 Ų | 121 | 132.2 Ų | 132.2 | 79% | 0.786 | 78% | 0.784 | S | S | * | * | | | | -141.4 | 159.9 | 103.1 | 38.4 | -24.6 | 0 | 0 | 0 | 115.8 | | |
| 99 | D | 50.2 | Low | 49.2 | Very low | 153 Ų | 153 | 129.8 Ų | 129.8 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | | | trans | -52.8 | 130 | 171.5 | -142.8 | -75.7 | 0 | 0 | 0 | 112.4 | | |
| 100 | S | 50.2 | Low | 49.2 | Very low | 117 Ų | 117 | 134.6 Ų | 134.6 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | | | trans | -155 | 104 | 162.4 | -79.3 | 0 | 0 | 0 | 0 | 108.7 | | |
| 101 | G | 51.2 | Low | 48.9 | Very low | 79 Ų | 79 | 128.4 Ų | 128.4 | 81% | 0.814 | 77% | 0.769 | S | S | * | * | | | trans | -55.2 | 138.8 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 102 | S | 43.3 | Very low | 48.9 | Very low | 123 Ų | 123 | 126.4 Ų | 126.4 | 86% | 0.86 | 76% | 0.763 | S | S | * | * | | | trans | -136.8 | 122.3 | 159.1 | -173.4 | 0 | 0 | 0 | 0 | 108 | | |
| 103 | S | 47.1 | Very low | 49 | Very low | 110 Ų | 110 | 129 Ų | 129 | 77% | 0.769 | 77% | 0.766 | S | S | * | * | | | trans | -71 | 130.6 | -176.1 | -71.2 | 0 | 0 | 0 | 0 | 112.9 | | |
| 104 | V | 45.3 | Very low | 49.2 | Very low | 132 Ų | 132 | 130.3 Ų | 130.3 | 80% | 0.8 | 76% | 0.764 | S | S | * | * | | | trans | 66.5 | 148.5 | 140.9 | -177.4 | 0 | 0 | 0 | 0 | 117.4 | | |
| 105 | P | 45.9 | Very low | 50 | Low | 107 Ų | 107 | 133.6 Ų | 133.6 | 70% | 0.695 | 77% | 0.769 | S | S | * | * | | | cis | -119.7 | 142.5 | -4 | 29.1 | -10.3 | 0 | 0 | 0 | 113.5 | D107 | P105-D107 VanDerWaalsContact C-N 3.29Å; P105-D107 PolarHBondContact O-N 3.44Å |
| 106 | T | 45.8 | Very low | 49.9 | Very low | 140 Ų | 140 | 131.9 Ų | 131.9 | 86% | 0.859 | 77% | 0.767 | S | S | * | * | | | trans | -77.4 | 88.3 | 160.8 | -54.4 | 0 | 0 | 0 | 0 | 108.2 | P108 | T106-P108 WeakPolarHBondContact O-CD 3.07Š|
| 107 | D | 43.6 | Very low | 49.8 | Very low | 117 Ų | 117 | 133 Ų | 133 | 63% | 0.626 | 77% | 0.767 | S | S | * | * | | | trans | -61.8 | 122.5 | 151.7 | 179.2 | -103.6 | 0 | 0 | 0 | 107.2 | P105 T109 | P105-D107 VanDerWaalsContact C-N 3.29Å; P105-D107 PolarHBondContact O-N 3.44Å; D107-T109 PolarHBondContact O-N 3.03Å; D107-T109 PolarHBondContact OD1-N 3.04Å |
| 108 | P | 51.8 | Low | 49.4 | Very low | 105 Ų | 105 | 137 Ų | 137 | 68% | 0.682 | 78% | 0.777 | S | S | * | * | | | trans | -70.9 | 78.4 | 170 | 29 | -30.3 | 0 | 0 | 0 | 108.2 | T106 W110 | T106-P108 WeakPolarHBondContact O-CD 3.07Å; P108-W110 PolarHBondContact O-N 3Å; P108-W110 VanDerWaalsContact O-N 3.1Å |
| 109 | T | 50.1 | Low | 49.1 | Very low | 115 Ų | 115 | 136.5 Ų | 136.5 | 71% | 0.706 | 78% | 0.776 | S | S | * | * | | | trans | -50.9 | 117.7 | 161 | -176.7 | 0 | 0 | 0 | 0 | 107.2 | D107 G111 | D107-T109 PolarHBondContact O-N 3.03Å; D107-T109 PolarHBondContact OD1-N 3.04Å; T109-G111 PolarHBondContact O-N 3.33Å |
| 110 | W | 53.3 | Low | 49.3 | Very low | 244 Ų | 244 | 135.2 Ų | 135.2 | 92% | 0.924 | 78% | 0.779 | S | S | * | * | | | trans | -45.4 | 113.1 | 178.1 | -71.5 | 81.7 | 0 | 0 | 0 | 109.6 | P108 | P108-W110 PolarHBondContact O-N 3Å; P108-W110 VanDerWaalsContact O-N 3.1Å |
| 111 | G | 55.9 | Low | 48.9 | Very low | 61 Ų | 61 | 132.7 Ų | 132.7 | 63% | 0.629 | 77% | 0.771 | S | S | * | * | | | trans | -63.4 | 175.2 | -180 | 0 | 0 | 0 | 0 | 0 | 113.5 | T109 | T109-G111 PolarHBondContact O-N 3.33Š|
| 112 | P | 50.3 | Low | 49 | Very low | 90 Ų | 90 | 136.6 Ų | 136.6 | 58% | 0.584 | 77% | 0.768 | S | S | * | * | | | | -74.7 | 150.9 | -124.4 | 15.3 | -24 | 0 | 0 | 0 | 115 | R114 | P112-R114 PolarHBondContact O-N 2.94Å; P112-R114 PolarHBondContact O-NH1 3.1Å |
| 113 | E | 52.4 | Low | 49.1 | Very low | 188 Ų | 188 | 138.9 Ų | 138.9 | 88% | 0.879 | 76% | 0.763 | S | S | * | * | | | trans | -38 | 109.6 | 159.2 | -78.2 | 169.4 | 67.6 | 0 | 0 | 110.8 | | |
| 114 | R | 55.5 | Low | 49.4 | Very low | 196 Ų | 196 | 140.6 Ų | 140.6 | 74% | 0.74 | 76% | 0.762 | S | S | * | * | | | trans | -95.8 | 98.3 | 160.6 | -49.9 | -59.5 | -165.6 | -71.2 | 0.6 | 105.2 | P112 | P112-R114 PolarHBondContact O-N 2.94Å; P112-R114 PolarHBondContact O-NH1 3.1Å |
| 115 | R | 63 | Low | 49.9 | Very low | 244 Ų | 244 | 139.6 Ų | 139.6 | 92% | 0.921 | 76% | 0.756 | S | S | * | * | | | trans | -61.1 | 135.2 | 155.8 | -81 | -162.7 | -167.3 | 162 | 2.7 | 107.9 | | |
| 116 | G | 42.4 | Very low | 50.1 | Low | 65 Ų | 65 | 138.8 Ų | 138.8 | 67% | 0.67 | 76% | 0.759 | S | S | * | * | | | trans | -174.5 | 120.2 | 167.6 | 0 | 0 | 0 | 0 | 0 | 108.9 | | |
| 117 | E | 39.4 | Very low | 50.2 | Low | 178 Ų | 178 | 135.4 Ų | 135.4 | 83% | 0.832 | 75% | 0.745 | S | S | * | * | | | trans | -30.9 | 141.9 | -175.4 | -74.8 | 99.1 | 82.8 | 0 | 0 | 117.5 | S119 | E117-S119 PolarHBondContact O-N 2.77Š|
| 118 | E | 49.6 | Very low | 50.7 | Low | 192 Ų | 192 | 136.2 Ų | 136.2 | 90% | 0.897 | 76% | 0.755 | S | S | * | * | | | trans | -48.6 | 76 | 156.1 | 55.5 | -170.6 | 120.4 | 0 | 0 | 112.6 | S120 | E118-S120 PolarHBondContact O-N 3.28Š|
| 119 | S | 44.8 | Very low | 50.6 | Low | 111 Ų | 111 | 138.1 Ų | 138.1 | 78% | 0.776 | 75% | 0.754 | S | S | * | * | | | trans | -80.7 | 118 | 166.1 | -163 | 0 | 0 | 0 | 0 | 108.1 | E117 G121 | E117-S119 PolarHBondContact O-N 2.77Å; S119-G121 PolarHBondContact O-N 2.74Å |
| 120 | S | 54.3 | Low | 50.6 | Low | 125 Ų | 125 | 137.7 Ų | 137.7 | 87% | 0.874 | 75% | 0.753 | S | S | * | * | | | trans | -55.6 | 81.1 | 175.7 | -50.6 | 0 | 0 | 0 | 0 | 111.6 | E118 H122 | E118-S120 PolarHBondContact O-N 3.28Å; S120-H122 PolarHBondContact O-N 2.84Å; S120-H122 VanDerWaalsContact O-N 3.16Å |
| 121 | G | 41.7 | Very low | 50 | Low | 64 Ų | 64 | 131 Ų | 131 | 66% | 0.66 | 74% | 0.739 | S | S | * | * | | | trans | -80.4 | 91.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | S119 F123 | S119-G121 PolarHBondContact O-N 2.74Å; G121-F123 PolarHBondContact O-N 3.37Å |
| 122 | H | 52.8 | Low | 49.8 | Very low | 162 Ų | 162 | 134.4 Ų | 134.4 | 75% | 0.75 | 75% | 0.752 | S | S | * | * | | | trans | -53.4 | 102.3 | 161.6 | -171.3 | 96.1 | 0 | 0 | 0 | 108.3 | S120 L124 | S120-H122 PolarHBondContact O-N 2.84Å; S120-H122 VanDerWaalsContact O-N 3.16Å; H122-L124 WeakPolarHBondContact NE2-CD2 3.25Å; H122-L124 PolarHBondContact O-N 3.08Å |
| 123 | F | 46.6 | Very low | 49.5 | Very low | 171 Ų | 171 | 133.1 Ų | 133.1 | 75% | 0.75 | 76% | 0.755 | S | S | * | * | | | trans | -87.3 | 108.3 | 174.9 | 73.4 | -85.4 | 0 | 0 | 0 | 108.4 | G121 V125 | G121-F123 PolarHBondContact O-N 3.37Å; F123-V125 HydrophobicContact CD2-CG2 3.61Å; F123-V125 HydrophobicContact CE2-CG2 3.51Å; F123-V125 PolarHBondContact O-N 2.8Å |
| 124 | L | 52.8 | Low | 48.9 | Very low | 145 Ų | 145 | 129.7 Ų | 129.7 | 76% | 0.759 | 74% | 0.742 | S | S | * | * | | | trans | -76.2 | 112.8 | 161.6 | -67.1 | 169.5 | 0 | 0 | 0 | 106.7 | H122 A126 | H122-L124 WeakPolarHBondContact NE2-CD2 3.25Å; H122-L124 PolarHBondContact O-N 3.08Å; L124-A126 PolarHBondContact O-N 3.45Å; L124-A126 VanDerWaalsContact O-N 3.13Å |
| 125 | V | 55.1 | Low | 48.5 | Very low | 111 Ų | 111 | 126 Ų | 126 | 67% | 0.673 | 74% | 0.744 | S | S | * | * | | | trans | -68.3 | 105.5 | 163.8 | 177.8 | 0 | 0 | 0 | 0 | 106.4 | F123 A127 | F123-V125 HydrophobicContact CD2-CG2 3.61Å; F123-V125 HydrophobicContact CE2-CG2 3.51Å; F123-V125 PolarHBondContact O-N 2.8Å; V125-A127 VanDerWaalsContact C-N 3.31Å; V125-A127 PolarHBondContact O-N 3.18Å |
| 126 | A | 51.3 | Low | 47.8 | Very low | 90 Ų | 90 | 118.2 Ų | 118.2 | 74% | 0.744 | 72% | 0.723 | S | S | * | * | | | trans | -68.5 | 97.3 | 163.3 | 0 | 0 | 0 | 0 | 0 | 107 | L124 T128 | L124-A126 PolarHBondContact O-N 3.45Å; L124-A126 VanDerWaalsContact O-N 3.13Å; A126-T128 PolarHBondContact O-N 3.16Å |
| 127 | A | 48.4 | Very low | 48.1 | Very low | 69 Ų | 69 | 124.4 Ų | 124.4 | 57% | 0.57 | 73% | 0.731 | S | S | * | * | | | trans | -62.5 | 104.3 | 164.7 | 0 | 0 | 0 | 0 | 0 | 107 | V125 E129 | V125-A127 VanDerWaalsContact C-N 3.31Å; V125-A127 PolarHBondContact O-N 3.18Å; A127-E129 PolarHBondContact O-N 3.44Å |
| 128 | T | 52.9 | Low | 48.2 | Very low | 135 Ų | 135 | 123.8 Ų | 123.8 | 83% | 0.828 | 72% | 0.721 | S | S | * | * | | | trans | -70.8 | 89.2 | 159.6 | -70.3 | 0 | 0 | 0 | 0 | 105.9 | A126 | A126-T128 PolarHBondContact O-N 3.16Š|
| 129 | E | 51.2 | Low | 47.9 | Very low | 144 Ų | 144 | 119 Ų | 119 | 67% | 0.673 | 71% | 0.707 | S | S | * | * | | | trans | -55.1 | 137.4 | 161.8 | -63.6 | -68.5 | 122 | 0 | 0 | 107.7 | A127 V131 | A127-E129 PolarHBondContact O-N 3.44Å; E129-V131 PolarHBondContact O-N 3.09Å |
| 130 | P | 48.6 | Very low | 48.3 | Very low | 106 Ų | 106 | 118.6 Ų | 118.6 | 69% | 0.688 | 71% | 0.71 | S | S | * | * | | | trans | -58.7 | 111 | 167.6 | 25.2 | -30.7 | 0 | 0 | 0 | 106.9 | C132 | P130-C132 VanDerWaalsContact C-N 3.29Å; P130-C132 PolarHBondContact O-N 3.34Å |
| 131 | V | 41.6 | Very low | 47.9 | Very low | 104 Ų | 104 | 120.8 Ų | 120.8 | 63% | 0.63 | 71% | 0.706 | S | S | * | * | | | trans | -65.9 | 97.6 | 174.1 | 75 | 0 | 0 | 0 | 0 | 107 | E129 G133 I134 | E129-V131 PolarHBondContact O-N 3.09Å; V131-G133 VanDerWaalsContact C-N 3.3Å; V131-G133 PolarHBondContact O-N 3Å; V131-I134 HydrophobicContact CG1-CD1 3.9Å; V131-I134 HydrophobicContact CG1-CG1 3.53Å |
| 132 | C | 51.3 | Low | 48.1 | Very low | 132 Ų | 132 | 123.2 Ų | 123.2 | 89% | 0.892 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.6 | 98.8 | 164.2 | -77.2 | 0 | 0 | 0 | 0 | 106.4 | P130 | P130-C132 VanDerWaalsContact C-N 3.29Å; P130-C132 PolarHBondContact O-N 3.34Å |
| 133 | G | 44.3 | Very low | 47.8 | Very low | 64 Ų | 64 | 118.8 Ų | 118.8 | 66% | 0.66 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 149.6 | 7.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 117.4 | V131 P135 | V131-G133 VanDerWaalsContact C-N 3.3Å; V131-G133 PolarHBondContact O-N 3Å; G133-P135 WeakPolarHBondContact O-CD 3.3Å |
| 134 | I | 40.2 | Very low | 48 | Very low | 115 Ų | 115 | 117.2 Ų | 117.2 | 59% | 0.59 | 69% | 0.691 | S | S | * | * | | | trans | -81.2 | 109.2 | 163.4 | -49.6 | -155.2 | 0 | 0 | 0 | 107.4 | V131 V136 | V131-I134 HydrophobicContact CG1-CD1 3.9Å; V131-I134 HydrophobicContact CG1-CG1 3.53Å; I134-V136 HydrophobicContact CB-CG1 4.45Å; I134-V136 HydrophobicContact CG2-CG1 3.87Å; I134-V136 PolarHBondContact O-N 3.31Å |
| 135 | P | 46 | Very low | 47.7 | Very low | 120 Ų | 120 | 116.1 Ų | 116.1 | 78% | 0.779 | 68% | 0.681 | S | S | * | * | | | trans | -71.6 | 85.3 | 170.1 | 31.9 | -33.7 | 0 | 0 | 0 | 106.5 | G133 K137 | G133-P135 WeakPolarHBondContact O-CD 3.3Å; P135-K137 PolarHBondContact O-N 2.83Å; P135-K137 VanDerWaalsContact O-N 3.13Å |
| 136 | V | 49.5 | Very low | 47.3 | Very low | 79 Ų | 79 | 118 Ų | 118 | 48% | 0.479 | 68% | 0.681 | S | S | . | * | | | trans | -71.3 | 111.6 | 170.3 | -79.3 | 0 | 0 | 0 | 0 | 108.1 | I134 W138 | I134-V136 HydrophobicContact CB-CG1 4.45Å; I134-V136 HydrophobicContact CG2-CG1 3.87Å; I134-V136 PolarHBondContact O-N 3.31Å; V136-W138 VanDerWaalsContact C-N 3.29Å; V136-W138 HydrophobicContact CB-CD2 4.48Å; V136-W138 HydrophobicContact CB-CE3 3.36Å; V136-W138 HydrophobicContact CB-CH2 3.69Å; V136-W138 HydrophobicContact CB-CZ3 2.98Å; V136-W138 HydrophobicContact CG1-CE3 4.41Å; V136-W138 HydrophobicContact CG1-CH2 4.06Å; V136-W138 HydrophobicContact CG1-CZ3 3.6Å; V136-W138 HydrophobicContact CG2-CD2 4.13Å; V136-W138 HydrophobicContact CG2-CE3 3.42Å; V136-W138 VanDerWaalsContact CG2-CE3 3.42Å; V136-W138 HydrophobicContact CG2-CH2 3.33Å; V136-W138 HydrophobicContact CG2-CZ2 4.03Å; V136-W138 HydrophobicContact CG2-CZ3 3.11Å; V136-W138 PolarHBondContact O-N 3.32Å |
| 137 | K | 48 | Very low | 47.3 | Very low | 196 Ų | 196 | 120.9 Ų | 120.9 | 85% | 0.852 | 68% | 0.679 | S | S | * | * | | | trans | -70.4 | 89.1 | 177.2 | -178.9 | 74.8 | 70.1 | -177.8 | 0 | 107.8 | P135 | P135-K137 PolarHBondContact O-N 2.83Å; P135-K137 VanDerWaalsContact O-N 3.13Å |
| 138 | W | 41.9 | Very low | 47.4 | Very low | 165 Ų | 165 | 123.3 Ų | 123.3 | 63% | 0.625 | 68% | 0.682 | S | S | * | * | | | trans | -68.1 | 133.1 | 167.8 | -89 | -140.7 | 0 | 0 | 0 | 108.8 | V136 A140 | V136-W138 VanDerWaalsContact C-N 3.29Å; V136-W138 HydrophobicContact CB-CD2 4.48Å; V136-W138 HydrophobicContact CB-CE3 3.36Å; V136-W138 HydrophobicContact CB-CH2 3.69Å; V136-W138 HydrophobicContact CB-CZ3 2.98Å; V136-W138 HydrophobicContact CG1-CE3 4.41Å; V136-W138 HydrophobicContact CG1-CH2 4.06Å; V136-W138 HydrophobicContact CG1-CZ3 3.6Å; V136-W138 HydrophobicContact CG2-CD2 4.13Å; V136-W138 HydrophobicContact CG2-CE3 3.42Å; V136-W138 VanDerWaalsContact CG2-CE3 3.42Å; V136-W138 HydrophobicContact CG2-CH2 3.33Å; V136-W138 HydrophobicContact CG2-CZ2 4.03Å; V136-W138 HydrophobicContact CG2-CZ3 3.11Å; V136-W138 PolarHBondContact O-N 3.32Å; W138-A140 PolarHBondContact O-N 2.75Å |
| 139 | P | 42.6 | Very low | 47.1 | Very low | 92 Ų | 92 | 123.3 Ų | 123.3 | 60% | 0.597 | 67% | 0.672 | S | S | * | * | | | trans | -61.2 | 134.7 | 166.2 | 25 | -29.7 | 0 | 0 | 0 | 108.8 | H141 E142 | P139-H141 PolarHBondContact O-N 3.1Å; P139-E142 PolarHBondContact O-N 3.25Å |
| 140 | A | 54.4 | Low | 46.9 | Very low | 102 Ų | 102 | 122.4 Ų | 122.4 | 84% | 0.843 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.1 | 4.4 | -165.1 | 0 | 0 | 0 | 0 | 0 | 116.4 | W138 | W138-A140 PolarHBondContact O-N 2.75Š|
| 141 | H | 45.3 | Very low | 46.9 | Very low | 170 Ų | 170 | 124.9 Ų | 124.9 | 79% | 0.787 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92 | -14.4 | -177.3 | -160.5 | -109.7 | 0 | 0 | 0 | 113.8 | P139 | P139-H141 PolarHBondContact O-N 3.1Š|
| 142 | E | 46.2 | Very low | 46.8 | Very low | 116 Ų | 116 | 129.4 Ų | 129.4 | 54% | 0.542 | 68% | 0.68 | S | S | . | * | S | Bend | trans | -103.9 | 6.1 | -173.3 | -56.9 | -131.9 | 113.6 | 0 | 0 | 114.1 | P139 | P139-E142 PolarHBondContact O-N 3.25Š|
| 143 | A | 45.8 | Very low | 46.6 | Very low | 68 Ų | 68 | 131 Ų | 131 | 56% | 0.562 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -83.3 | -18.1 | -179 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 144 | L | 49.7 | Very low | 46.6 | Very low | 139 Ų | 139 | 132 Ų | 132 | 73% | 0.728 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -86.6 | -31.4 | -177.3 | -83.9 | 156.3 | 0 | 0 | 0 | 113.1 | | |
| 145 | E | 47.5 | Very low | 46.5 | Very low | 121 Ų | 121 | 135.4 Ų | 135.4 | 57% | 0.565 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -73.2 | -35.5 | -176.3 | -70.3 | -62.1 | 123.4 | 0 | 0 | 113.2 | L148 H149 | E145-L148 PolarHBondContact O-N 3.23Å; E145-H149 PolarHBondContact O-N 3.46Å |
| 146 | F | 45.9 | Very low | 46.3 | Very low | 151 Ų | 151 | 135.9 Ų | 135.9 | 66% | 0.662 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -73.1 | -31.2 | 178.7 | -91 | -87.1 | 0 | 0 | 0 | 113.5 | L148 L150 | F146-L148 VanDerWaalsContact C-N 3.32Å; F146-L150 PolarHBondContact O-N 3.25Å |
| 147 | Q | 51.3 | Low | 45.8 | Very low | 151 Ų | 151 | 134.4 Ų | 134.4 | 71% | 0.706 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -68.2 | -33.7 | 175.3 | -73.6 | -114.2 | 78.4 | 0 | 0 | 111.6 | H151 | Q147-H151 PolarHBondContact O-N 2.81Å |
| 148 | L | 50.9 | Low | 45.8 | Very low | 120 Ų | 120 | 131.7 Ų | 131.7 | 63% | 0.628 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -72.2 | -39.3 | 178.5 | -152.3 | 77.1 | 0 | 0 | 0 | 111.8 | E145 F146 H151 Y152 | E145-L148 PolarHBondContact O-N 3.23Å; F146-L148 VanDerWaalsContact C-N 3.32Å; L148-H151 PolarHBondContact O-N 3.18Å; L148-Y152 PolarHBondContact O-N 2.79Å |
| 149 | H | 46.4 | Very low | 46 | Very low | 135 Ų | 135 | 129.7 Ų | 129.7 | 63% | 0.625 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -66.2 | -38.6 | -179.6 | -108.3 | 86.2 | 0 | 0 | 0 | 113.9 | E145 | E145-H149 PolarHBondContact O-N 3.46Å |
| 150 | L | 48.5 | Very low | 46.2 | Very low | 125 Ų | 125 | 131 Ų | 131 | 65% | 0.654 | 71% | 0.705 | S | S | * | * | H | α-helix | trans | -68.7 | -35.4 | 175.6 | -85.5 | 150.7 | 0 | 0 | 0 | 112.3 | F146 S154 | F146-L150 PolarHBondContact O-N 3.25Å; L150-S154 PolarHBondContact O-OG 2.77Å; L150-S154 VanDerWaalsContact O-OG 3.09Å |
| 151 | H | 46.8 | Very low | 45.5 | Very low | 158 Ų | 158 | 129 Ų | 129 | 73% | 0.731 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -75.6 | -31.1 | -179.2 | -139.6 | -47.6 | 0 | 0 | 0 | 112.6 | Q147 L148 | Q147-H151 PolarHBondContact O-N 2.81Å; L148-H151 PolarHBondContact O-N 3.18Å |
| 152 | Y | 41.3 | Very low | 45.5 | Very low | 199 Ų | 199 | 127.4 Ų | 127.4 | 78% | 0.78 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -73.3 | -28.5 | 179.9 | -159.3 | -100.3 | 0 | 0 | 0 | 113.4 | L148 | L148-Y152 PolarHBondContact O-N 2.79Å |
| 153 | H | 46.2 | Very low | 45.2 | Very low | 166 Ų | 166 | 131.8 Ų | 131.8 | 77% | 0.769 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.9 | -8.6 | 177 | -109.1 | -93.9 | 0 | 0 | 0 | 114.6 | K155 | H153-K155 PolarHBondContact O-N 2.78Š|
| 154 | S | 43.8 | Very low | 44.8 | Very low | 85 Ų | 85 | 133.5 Ų | 133.5 | 59% | 0.594 | 71% | 0.708 | S | S | * | * | | | trans | -98.9 | 34.5 | -174.3 | -62.9 | 0 | 0 | 0 | 0 | 113.9 | L150 P156 | L150-S154 PolarHBondContact O-OG 2.77Å; L150-S154 VanDerWaalsContact O-OG 3.09Å; S154-P156 VanDerWaalsContact O-CD 3.3Å; S154-P156 WeakPolarHBondContact O-CD 3.24Å |
| 155 | K | 38.5 | Very low | 44.8 | Very low | 185 Ų | 185 | 138.6 Ų | 138.6 | 80% | 0.804 | 72% | 0.718 | S | S | * | * | | | trans | -70.8 | 118.1 | 167.9 | -111.1 | 172 | 175.6 | 172.8 | 0 | 108.8 | H153 G157 | H153-K155 PolarHBondContact O-N 2.78Å; K155-G157 PolarHBondContact O-N 3.47Å |
| 156 | P | 42.9 | Very low | 44.8 | Very low | 131 Ų | 131 | 140.3 Ų | 140.3 | 85% | 0.851 | 73% | 0.731 | S | S | * | * | | | trans | -74.9 | 94.9 | -179.5 | 29.5 | -32.5 | 0 | 0 | 0 | 110 | S154 | S154-P156 VanDerWaalsContact O-CD 3.3Å; S154-P156 WeakPolarHBondContact O-CD 3.24Å |
| 157 | G | 38.9 | Very low | 44.5 | Very low | 48 Ų | 48 | 138.5 Ų | 138.5 | 50% | 0.495 | 74% | 0.736 | S | S | . | * | | | trans | -76.9 | 150.2 | 158.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | K155 T159 | K155-G157 PolarHBondContact O-N 3.47Å; G157-T159 PolarHBondContact O-N 3.04Å |
| 158 | P | 48 | Very low | 43.9 | Very low | 138 Ų | 138 | 134.6 Ų | 134.6 | 90% | 0.896 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -79.2 | 68.9 | -177.5 | 35 | -35.1 | 0 | 0 | 0 | 110.1 | | |
| 159 | T | 45.2 | Very low | 43.3 | Very low | 123 Ų | 123 | 140.4 Ų | 140.4 | 76% | 0.755 | 75% | 0.749 | S | S | * | * | | | trans | -125.3 | 106.6 | 168.7 | 49.7 | 0 | 0 | 0 | 0 | 108.4 | G157 A161 | G157-T159 PolarHBondContact O-N 3.04Å; T159-A161 PolarHBondContact O-N 2.78Å |
| 160 | S | 46.6 | Very low | 42.9 | Very low | 119 Ų | 119 | 142.9 Ų | 142.9 | 83% | 0.832 | 76% | 0.761 | S | S | * | * | | | trans | -32.9 | 92.1 | 170.1 | 174.1 | 0 | 0 | 0 | 0 | 113.3 | | |
| 161 | A | 40.4 | Very low | 42.4 | Very low | 62 Ų | 62 | 139.5 Ų | 139.5 | 51% | 0.512 | 76% | 0.757 | S | S | . | * | | | trans | -82.8 | 115.2 | 155.8 | 0 | 0 | 0 | 0 | 0 | 106.9 | T159 W163 | T159-A161 PolarHBondContact O-N 2.78Å; A161-W163 PolarHBondContact O-N 3.41Å; A161-W163 VanDerWaalsContact O-N 3.1Å; A161-W163 PolarHBondContact O-NE1 3Å |
| 162 | V | 44.3 | Very low | 42 | Very low | 135 Ų | 135 | 136 Ų | 136 | 82% | 0.818 | 76% | 0.755 | S | S | * | * | | | trans | -66 | 106.6 | 165.1 | 163.5 | 0 | 0 | 0 | 0 | 106.6 | | |
| 163 | W | 40.3 | Very low | 42 | Very low | 209 Ų | 209 | 132 Ų | 132 | 79% | 0.792 | 76% | 0.756 | S | S | * | * | | | trans | -74.9 | 141.6 | 172.6 | -61.6 | 80.9 | 0 | 0 | 0 | 109.1 | A161 R165 | A161-W163 PolarHBondContact O-N 3.41Å; A161-W163 VanDerWaalsContact O-N 3.1Å; A161-W163 PolarHBondContact O-NE1 3Å; W163-R165 PolarHBondContact O-N 3.42Å; W163-R165 VanDerWaalsContact O-N 3.13Å |
| 164 | P | 38.2 | Very low | 41.7 | Very low | 103 Ų | 103 | 131.6 Ų | 131.6 | 67% | 0.669 | 76% | 0.76 | S | S | * | * | | | trans | -56.4 | 122.3 | 166.3 | 22.3 | -29.6 | 0 | 0 | 0 | 108.5 | N166 | P164-N166 PolarHBondContact O-N 2.9Š|
| 165 | R | 48.1 | Very low | 41.5 | Very low | 247 Ų | 247 | 135.5 Ų | 135.5 | 93% | 0.932 | 77% | 0.774 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.4 | 26.7 | -165 | -165.9 | 173.8 | 155.7 | -158 | -6 | 114.7 | W163 | W163-R165 PolarHBondContact O-N 3.42Å; W163-R165 VanDerWaalsContact O-N 3.13Å |
| 166 | N | 47.7 | Very low | 41.5 | Very low | 157 Ų | 157 | 129.4 Ų | 129.4 | 84% | 0.84 | 76% | 0.764 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -141.2 | 12.4 | -176.3 | -128.6 | 48.6 | 0 | 0 | 0 | 116.5 | P164 G168 | P164-N166 PolarHBondContact O-N 2.9Å; N166-G168 PolarHBondContact O-N 3.02Å |
| 167 | C | 39.8 | Very low | 41.3 | Very low | 113 Ų | 113 | 131.4 Ų | 131.4 | 76% | 0.764 | 77% | 0.765 | S | S | * | * | | | trans | -93.8 | 86.9 | 167.3 | -65.2 | 0 | 0 | 0 | 0 | 109.2 | W169 | C167-W169 PolarHBondContact O-N 3.36Š|
| 168 | G | 38.2 | Very low | 41.4 | Very low | 68 Ų | 68 | 138.4 Ų | 138.4 | 70% | 0.701 | 79% | 0.785 | S | S | * | * | | | trans | -71.5 | 110.7 | 169 | 0 | 0 | 0 | 0 | 0 | 109.9 | N166 E170 | N166-G168 PolarHBondContact O-N 3.02Å; G168-E170 PolarHBondContact O-N 3.38Å; G168-E170 VanDerWaalsContact O-N 3.14Å |
| 169 | W | 38.3 | Very low | 40.8 | Very low | 242 Ų | 242 | 134.9 Ų | 134.9 | 92% | 0.917 | 77% | 0.774 | S | S | * | * | | | trans | -73.4 | 92.4 | 164 | 68.3 | -51.6 | 0 | 0 | 0 | 108.7 | C167 G171 | C167-W169 PolarHBondContact O-N 3.36Å; W169-G171 VanDerWaalsContact C-N 3.29Å; W169-G171 PolarHBondContact O-N 3.46Å; W169-G171 VanDerWaalsContact O-N 3.09Å |
| 170 | E | 38.6 | Very low | 40.5 | Very low | 187 Ų | 187 | 135.1 Ų | 135.1 | 87% | 0.874 | 78% | 0.781 | S | S | * | * | | | trans | -79.5 | 87.3 | 166.4 | -51.2 | -168.4 | 118.5 | 0 | 0 | 107.3 | G168 A172 | G168-E170 PolarHBondContact O-N 3.38Å; G168-E170 VanDerWaalsContact O-N 3.14Å; E170-A172 PolarHBondContact O-N 3.06Å |
| 171 | G | 38.8 | Very low | 40.4 | Very low | 55 Ų | 55 | 139.1 Ų | 139.1 | 57% | 0.567 | 79% | 0.786 | S | S | * | * | | | trans | -61.9 | 102.9 | 167.3 | 0 | 0 | 0 | 0 | 0 | 108.6 | W169 S173 | W169-G171 VanDerWaalsContact C-N 3.29Å; W169-G171 PolarHBondContact O-N 3.46Å; W169-G171 VanDerWaalsContact O-N 3.09Å; G171-S173 VanDerWaalsContact C-N 3.3Å; G171-S173 PolarHBondContact O-N 3.44Å |
| 172 | A | 37.4 | Very low | 40.6 | Very low | 83 Ų | 83 | 139.1 Ų | 139.1 | 69% | 0.686 | 79% | 0.793 | S | S | * | * | | | trans | -59.4 | 95.6 | 171.1 | 0 | 0 | 0 | 0 | 0 | 108.6 | E170 N174 | E170-A172 PolarHBondContact O-N 3.06Å; A172-N174 PolarHBondContact O-N 2.96Å |
| 173 | S | 41.7 | Very low | 40.4 | Very low | 117 Ų | 117 | 142.1 Ų | 142.1 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | | | trans | -70.8 | 99.7 | 168.5 | -69.9 | 0 | 0 | 0 | 0 | 106.9 | G171 N175 | G171-S173 VanDerWaalsContact C-N 3.3Å; G171-S173 PolarHBondContact O-N 3.44Å; S173-N175 PolarHBondContact O-N 2.85Å |
| 174 | N | 40 | Very low | 40.7 | Very low | 156 Ų | 156 | 140.3 Ų | 140.3 | 83% | 0.834 | 80% | 0.804 | S | S | * | * | | | trans | -63.3 | 96.4 | 176.8 | -62.3 | -43.8 | 0 | 0 | 0 | 109.4 | A172 | A172-N174 PolarHBondContact O-N 2.96Š|
| 175 | N | 38.6 | Very low | 41.1 | Very low | 168 Ų | 168 | 140.4 Ų | 140.4 | 90% | 0.898 | 81% | 0.806 | S | S | * | * | | | trans | -94.1 | 97.1 | 165.2 | -140.8 | 5.9 | 0 | 0 | 0 | 108.1 | S173 | S173-N175 PolarHBondContact O-N 2.85Š|
| 176 | G | 40 | Very low | 41.4 | Very low | 57 Ų | 57 | 134 Ų | 134 | 59% | 0.588 | 80% | 0.797 | S | S | * | * | | | trans | 74.3 | 115.8 | 160.7 | 0 | 0 | 0 | 0 | 0 | 116.9 | | |
| 177 | I | 38.8 | Very low | 41.6 | Very low | 172 Ų | 172 | 131.8 Ų | 131.8 | 88% | 0.882 | 79% | 0.791 | S | S | * | * | | | | -154.6 | 126.5 | 123.7 | -73.8 | -45.4 | 0 | 0 | 0 | 107.5 | | |
| 178 | Q | 40.3 | Very low | 41.9 | Very low | 195 Ų | 195 | 131.9 Ų | 131.9 | 91% | 0.911 | 79% | 0.79 | S | S | * | * | | | trans | -62.2 | 146.2 | 170.2 | -70.4 | 166.2 | -78.6 | 0 | 0 | 111.1 | | |
| 179 | G | 35 | Very low | 42.4 | Very low | 65 Ų | 65 | 136.9 Ų | 136.9 | 67% | 0.67 | 80% | 0.799 | S | S | * | * | | | trans | 130 | 121.9 | 138.7 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 180 | S | 38.5 | Very low | 42.7 | Very low | 128 Ų | 128 | 130.1 Ų | 130.1 | 90% | 0.895 | 79% | 0.789 | S | S | * | * | | | trans | 93.2 | 110.3 | 146.4 | -36.5 | 0 | 0 | 0 | 0 | 116.5 | | |
| 181 | Q | 45.1 | Very low | 43 | Very low | 203 Ų | 203 | 126.1 Ų | 126.1 | 95% | 0.949 | 79% | 0.787 | S | S | * | * | | | trans | -48.5 | 143.3 | 164.1 | -66.3 | 167.5 | -40 | 0 | 0 | 111.8 | | |
| 182 | G | 44.2 | Very low | 43.3 | Very low | 62 Ų | 62 | 128.7 Ų | 128.7 | 64% | 0.639 | 80% | 0.797 | S | S | * | * | | | trans | 147.9 | 100.2 | 163 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 183 | E | 41.5 | Very low | 43.4 | Very low | 197 Ų | 197 | 130.9 Ų | 130.9 | 92% | 0.921 | 81% | 0.806 | S | S | * | * | | | trans | 84.2 | 119.2 | 147.5 | -46.8 | -178 | 123.3 | 0 | 0 | 117.1 | S185 | E183-S185 PolarHBondContact O-N 3.4Å; E183-S185 VanDerWaalsContact O-N 3.16Å |
| 184 | D | 46.8 | Very low | 43.9 | Very low | 172 Ų | 172 | 131.6 Ų | 131.6 | 92% | 0.92 | 81% | 0.805 | S | S | * | * | | | trans | -62.2 | 95.9 | -178.7 | -174.4 | -103.4 | 0 | 0 | 0 | 111.7 | | |
| 185 | S | 44.8 | Very low | 43.9 | Very low | 104 Ų | 104 | 133.2 Ų | 133.2 | 73% | 0.727 | 81% | 0.808 | S | S | * | * | | | trans | -157.6 | 118 | 165.6 | -155.1 | 0 | 0 | 0 | 0 | 110.1 | E183 | E183-S185 PolarHBondContact O-N 3.4Å; E183-S185 VanDerWaalsContact O-N 3.16Å |
| 186 | P | 55 | Low | 44.2 | Very low | 113 Ų | 113 | 128.7 Ų | 128.7 | 73% | 0.734 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 139.2 | 172.5 | 26.5 | -31.9 | 0 | 0 | 0 | 109.6 | | |
| 187 | P | 52.7 | Low | 44.2 | Very low | 110 Ų | 110 | 131.8 Ų | 131.8 | 71% | 0.714 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 148.6 | 179 | 27.6 | -33.9 | 0 | 0 | 0 | 110.4 | I189 | P187-I189 PolarHBondContact O-N 3.13Å; P187-I189 VanDerWaalsContact O-N 3.12Å |
| 188 | P | 45 | Very low | 44.2 | Very low | 115 Ų | 115 | 132 Ų | 132 | 75% | 0.747 | 84% | 0.842 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 117.3 | 174.4 | 27 | -32.7 | 0 | 0 | 0 | 109.3 | S190 | P188-S190 PolarHBondContact O-N 2.88Å; P188-S190 PolarHBondContact O-OG 2.95Å |
| 189 | I | 50.2 | Low | 44.4 | Very low | 174 Ų | 174 | 128.9 Ų | 128.9 | 89% | 0.892 | 84% | 0.838 | S | S | * | * | | | trans | -59.6 | 98.4 | 167.5 | 39.6 | 166.3 | 0 | 0 | 0 | 108.9 | P187 A191 | P187-I189 PolarHBondContact O-N 3.13Å; P187-I189 VanDerWaalsContact O-N 3.12Å; I189-A191 PolarHBondContact O-N 3.19Å |
| 190 | S | 43.7 | Very low | 44.9 | Very low | 100 Ų | 100 | 132.3 Ų | 132.3 | 70% | 0.699 | 85% | 0.847 | S | S | * | * | | | trans | -86.1 | 100.8 | 176 | -63.8 | 0 | 0 | 0 | 0 | 108.6 | P188 S192 | P188-S190 PolarHBondContact O-N 2.88Å; P188-S190 PolarHBondContact O-OG 2.95Å; S190-S192 PolarHBondContact O-N 3.02Å |
| 191 | A | 45.2 | Very low | 45.2 | Very low | 102 Ų | 102 | 132.5 Ų | 132.5 | 84% | 0.843 | 84% | 0.844 | S | S | * | * | | | trans | -77.8 | 111.5 | 170.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | I189 | I189-A191 PolarHBondContact O-N 3.19Š|
| 192 | S | 44.8 | Very low | 45.2 | Very low | 109 Ų | 109 | 128.4 Ų | 128.4 | 76% | 0.762 | 84% | 0.838 | S | S | * | * | | | trans | -103 | 116.2 | 172.1 | -58 | 0 | 0 | 0 | 0 | 108.6 | S190 | S190-S192 PolarHBondContact O-N 3.02Š|
| 193 | C | 40.7 | Very low | 45.3 | Very low | 130 Ų | 130 | 132.5 Ų | 132.5 | 88% | 0.878 | 85% | 0.85 | S | S | * | * | | | trans | -90.6 | 104 | 174.2 | 27.5 | 0 | 0 | 0 | 0 | 109.5 | | |
| 194 | T | 51.3 | Low | 45.6 | Very low | 132 Ų | 132 | 128.2 Ų | 128.2 | 81% | 0.81 | 85% | 0.846 | S | S | * | * | | | trans | -88 | 109.6 | 165.3 | 53.6 | 0 | 0 | 0 | 0 | 108.6 | G196 | T194-G196 PolarHBondContact O-N 3.08Š|
| 195 | Q | 40.8 | Very low | 45.5 | Very low | 189 Ų | 189 | 125.1 Ų | 125.1 | 88% | 0.883 | 84% | 0.841 | S | S | * | * | | | trans | -69.2 | 101.3 | 174.8 | -169.2 | 171 | 2 | 0 | 0 | 109 | S197 | Q195-S197 PolarHBondContact O-N 3.15Š|
| 196 | G | 43.5 | Very low | 45.5 | Very low | 73 Ų | 73 | 126.7 Ų | 126.7 | 75% | 0.753 | 85% | 0.849 | S | S | * | * | | | trans | -77.8 | 114.8 | 170.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | T194 | T194-G196 PolarHBondContact O-N 3.08Š|
| 197 | S | 40.5 | Very low | 44.7 | Very low | 122 Ų | 122 | 127.8 Ų | 127.8 | 85% | 0.853 | 86% | 0.859 | S | S | * | * | | | trans | -73.4 | 130.8 | 170.4 | -58.8 | 0 | 0 | 0 | 0 | 110.7 | Q195 | Q195-S197 PolarHBondContact O-N 3.15Š|
| 198 | A | 38.7 | Very low | 44 | Very low | 178 Ų | 178 | 129.5 Ų | 129.5 | 100% | 1.471 | 87% | 0.872 | S | S | * | * | | | trans | -145 | 0 | 157.2 | 0 | 0 | 0 | 0 | 0 | 108.7 | | |