| 1 | M | 68.7 | Low | 91.7 | Very high | 234 Ų | 234 | 107.6 Ų | 107.6 | 100% | 1.153 | 59% | 0.593 | S | S | * | * | | | | 0 | 129.1 | 0 | -79 | 174.4 | 153.3 | 0 | 0 | 106.7 | | |
| 2 | N | 85.6 | Confident | 92 | Very high | 163 Ų | 163 | 116.3 Ų | 116.3 | 87% | 0.872 | 63% | 0.626 | S | S | * | * | | | trans | -87.7 | 133.5 | 177.8 | -62.1 | -9.4 | 0 | 0 | 0 | 108.8 | | |
| 3 | A | 88.6 | Confident | 92.3 | Very high | 67 Ų | 67 | 118.2 Ų | 118.2 | 55% | 0.554 | 64% | 0.635 | S | S | * | * | | | trans | -138.1 | 142.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 4 | I | 92.2 | Very high | 92.4 | Very high | 117 Ų | 117 | 118.2 Ų | 118.2 | 60% | 0.6 | 63% | 0.629 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -115.8 | 127.9 | 175.9 | -58.6 | 174.2 | 0 | 0 | 0 | 107.3 | C21 E23 | I4-C21 HydrophobicContact CG2-CB 4.45Å; I4-E23 HydrophobicContact CG1-CB 4.25Å |
| 5 | V | 94.1 | Very high | 92.6 | Very high | 99 Ų | 99 | 112 Ų | 112 | 60% | 0.6 | 60% | 0.604 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -107.1 | 126.7 | 172.5 | -178.5 | 0 | 0 | 0 | 0 | 107.8 | C21 T22 | V5-C21 WeakPolarHBondContact O-CA 2.82Å; V5-T22 HydrophobicContact CB-CG2 3.87Å; V5-T22 PolarHBondContact N-O 2.65Å; V5-T22 PolarHBondContact O-N 2.93Å |
| 6 | A | 96.4 | Very high | 92.8 | Very high | 52 Ų | 52 | 110.5 Ų | 110.5 | 43% | 0.43 | 60% | 0.602 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -126.8 | 139.3 | -177.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | T18 F20 | A6-T18 HydrophobicContact CB-CG2 4.46Å; A6-F20 CarbonylContact C-O 3.59Å; A6-F20 VanDerWaalsContact CA-O 3.25Å; A6-F20 WeakPolarHBondContact CA-O 2.88Å |
| 7 | L | 97 | Very high | 93 | Very high | 105 Ų | 105 | 112.4 Ų | 112.4 | 55% | 0.55 | 60% | 0.598 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -97.6 | 122.5 | 167.4 | -177.2 | 65.3 | 0 | 0 | 0 | 108.8 | L19 F20 | L7-L19 PolarHBondContact O-N 2.84Å; L7-F20 HydrophobicContact CB-CB 4.16Å; L7-F20 PolarHBondContact N-O 2.7Å; L7-F20 PolarHBondContact O-N 2.79Å |
| 8 | C | 97 | Very high | 93.2 | Very high | 62 Ų | 62 | 111 Ų | 111 | 42% | 0.419 | 60% | 0.595 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -116.1 | 148.6 | 178.9 | -63.4 | 0 | 0 | 0 | 0 | 110.5 | F10 R17 | C8-F10 HydrophobicContact CB-CE2 4Å; C8-F10 HydrophobicContact CB-CD2 4.42Å; C8-R17 CarbonylContact C-O 3.5Å; C8-R17 WeakPolarHBondContact CA-O 3.35Å |
| 9 | H | 97 | Very high | 93.3 | Very high | 94 Ų | 94 | 110.9 Ų | 110.9 | 44% | 0.435 | 59% | 0.594 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -119.1 | 128.2 | 172.3 | 168.6 | -104.6 | 0 | 0 | 0 | 109 | C11 P16 R17 L19 | H9-C11 WeakPolarHBondContact CE1-CB 3.25Å; H9-P16 CarbonylContact O-C 3.54Å; H9-R17 PolarHBondContact N-O 2.78Å; H9-R17 PolarHBondContact O-N 3.35Å; H9-L19 HydrophobicContact CB-CD1 3.54Å; H9-L19 HydrophobicContact CB-CD2 4.11Å; H9-L19 HydrophobicContact CB-CG 3.76Å |
| 10 | F | 96.7 | Very high | 93.4 | Very high | 159 Ų | 159 | 110.3 Ų | 110.3 | 70% | 0.697 | 59% | 0.585 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -108 | 108.1 | 176.6 | -76.7 | -110.9 | 0 | 0 | 0 | 107.8 | C8 P16 | C8-F10 HydrophobicContact CB-CE2 4Å; C8-F10 HydrophobicContact CB-CD2 4.42Å; F10-P16 HydrophobicContact CD1-CB 3.79Å; F10-P16 HydrophobicContact CZ-CB 3.69Å; F10-P16 HydrophobicContact CG-CB 4.25Å; F10-P16 HydrophobicContact CE2-CB 4.14Å; F10-P16 HydrophobicContact CE1-CB 3.51Å; F10-P16 HydrophobicContact CD2-CB 4.41Å; F10-P16 HydrophobicContact CD1-CG 4.37Å; F10-P16 HydrophobicContact CE1-CG 4.04Å |
| 11 | C | 95.2 | Very high | 93.5 | Very high | 32 Ų | 32 | 108.6 Ų | 108.6 | 22% | 0.216 | 58% | 0.581 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -110.9 | 142.4 | 177.2 | 150.2 | 0 | 0 | 0 | 0 | 109.8 | H9 L13 H14 G15 | H9-C11 WeakPolarHBondContact CE1-CB 3.25Å; C11-L13 VanDerWaalsContact C-N 3.27Å; C11-L13 PolarHBondContact O-N 2.88Å; C11-L13 PolarHBondContact SG-N 3.28Å; C11-H14 PolarHBondContact SG-ND1 3.18Å; C11-H14 PolarHBondContact SG-N 3.36Å; C11-H14 PolarHBondContact O-N 3.29Å; C11-G15 PolarHBondContact N-O 2.95Å; C11-G15 VanDerWaalsContact O-CA 3.25Å; C11-G15 WeakPolarHBondContact O-CA 3.43Å; C11-G15 PolarHBondContact O-N 3.07Å |
| 12 | E | 95.2 | Very high | 94.7 | Very high | 211 Ų | 211 | 100.7 Ų | 100.7 | 99% | 0.986 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | -34.7 | 180 | -63 | 179.2 | -179.1 | 0 | 0 | 112.8 | | |
| 13 | L | 96.1 | Very high | 95.1 | Very high | 141 Ų | 141 | 98 Ų | 98 | 74% | 0.738 | 53% | 0.529 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.6 | -35.8 | -179.3 | -178.2 | 60.6 | 0 | 0 | 0 | 113.3 | C11 | C11-L13 VanDerWaalsContact C-N 3.27Å; C11-L13 PolarHBondContact O-N 2.88Å; C11-L13 PolarHBondContact SG-N 3.28Å |
| 14 | H | 93.8 | Very high | 95.1 | Very high | 119 Ų | 119 | 100.3 Ų | 100.3 | 55% | 0.551 | 54% | 0.536 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117.2 | -6.8 | -168.7 | -54.3 | 107.9 | 0 | 0 | 0 | 114.2 | C11 | C11-H14 PolarHBondContact SG-ND1 3.18Å; C11-H14 PolarHBondContact SG-N 3.36Å; C11-H14 PolarHBondContact O-N 3.29Å |
| 15 | G | 95.5 | Very high | 94.7 | Very high | 25 Ų | 25 | 100.8 Ų | 100.8 | 26% | 0.258 | 54% | 0.539 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 71.5 | -163.1 | -174.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | C11 R17 | C11-G15 PolarHBondContact N-O 2.95Å; C11-G15 VanDerWaalsContact O-CA 3.25Å; C11-G15 WeakPolarHBondContact O-CA 3.43Å; C11-G15 PolarHBondContact O-N 3.07Å; G15-R17 PolarHBondContact O-N 2.92Å |
| 16 | P | 96.4 | Very high | 94.3 | Very high | 88 Ų | 88 | 103.7 Ų | 103.7 | 57% | 0.571 | 55% | 0.546 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -65 | 128.8 | 175 | 21.2 | -28.7 | 0 | 0 | 0 | 112.2 | H9 F10 | H9-P16 CarbonylContact O-C 3.54Å; F10-P16 HydrophobicContact CD1-CB 3.79Å; F10-P16 HydrophobicContact CZ-CB 3.69Å; F10-P16 HydrophobicContact CG-CB 4.25Å; F10-P16 HydrophobicContact CE2-CB 4.14Å; F10-P16 HydrophobicContact CE1-CB 3.51Å; F10-P16 HydrophobicContact CD2-CB 4.41Å; F10-P16 HydrophobicContact CD1-CG 4.37Å; F10-P16 HydrophobicContact CE1-CG 4.04Å |
| 17 | R | 95.8 | Very high | 93.5 | Very high | 143 Ų | 143 | 105.4 Ų | 105.4 | 54% | 0.54 | 56% | 0.56 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -131.9 | 132.1 | 170 | -77.5 | -166.7 | 170.2 | -145.3 | -1.3 | 111.2 | C8 H9 G15 | C8-R17 CarbonylContact C-O 3.5Å; C8-R17 WeakPolarHBondContact CA-O 3.35Å; H9-R17 PolarHBondContact N-O 2.78Å; H9-R17 PolarHBondContact O-N 3.35Å; G15-R17 PolarHBondContact O-N 2.92Å |
| 18 | T | 95.8 | Very high | 92.4 | Very high | 87 Ų | 87 | 106.2 Ų | 106.2 | 53% | 0.534 | 57% | 0.571 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -72.3 | 127.2 | 167.6 | -54.9 | 0 | 0 | 0 | 0 | 109.3 | A6 C21 | A6-T18 HydrophobicContact CB-CG2 4.46Å; T18-C21 WeakPolarHBondContact CG2-SG 3.39Å |
| 19 | L | 95.9 | Very high | 90.9 | Very high | 110 Ų | 110 | 110.4 Ų | 110.4 | 58% | 0.576 | 59% | 0.588 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -99.3 | -35.8 | 176.8 | -60.4 | -173 | 0 | 0 | 0 | 111.6 | L7 H9 | L7-L19 PolarHBondContact O-N 2.84Å; H9-L19 HydrophobicContact CB-CD1 3.54Å; H9-L19 HydrophobicContact CB-CD2 4.11Å; H9-L19 HydrophobicContact CB-CG 3.76Å |
| 20 | F | 95.9 | Very high | 89.5 | Confident | 98 Ų | 98 | 111.1 Ų | 111.1 | 43% | 0.43 | 60% | 0.601 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -150.6 | 141 | -176.7 | -177.8 | -104.2 | 0 | 0 | 0 | 110.6 | A6 L7 T22 | A6-F20 CarbonylContact C-O 3.59Å; A6-F20 VanDerWaalsContact CA-O 3.25Å; A6-F20 WeakPolarHBondContact CA-O 2.88Å; L7-F20 HydrophobicContact CB-CB 4.16Å; L7-F20 PolarHBondContact N-O 2.7Å; L7-F20 PolarHBondContact O-N 2.79Å; F20-T22 HydrophobicContact CE1-CG2 4.01Å |
| 21 | C | 95.6 | Very high | 87.9 | Confident | 74 Ų | 74 | 112.8 Ų | 112.8 | 50% | 0.5 | 61% | 0.611 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -129.5 | 138.9 | 169.5 | -70.6 | 0 | 0 | 0 | 0 | 108.8 | I4 V5 T18 | I4-C21 HydrophobicContact CG2-CB 4.45Å; V5-C21 WeakPolarHBondContact O-CA 2.82Å; T18-C21 WeakPolarHBondContact CG2-SG 3.39Å |
| 22 | T | 93.6 | Very high | 85.7 | Confident | 69 Ų | 69 | 114.3 Ų | 114.3 | 42% | 0.423 | 63% | 0.632 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -129.3 | 145 | 168.4 | -176.7 | 0 | 0 | 0 | 0 | 109.4 | V5 F20 | V5-T22 HydrophobicContact CB-CG2 3.87Å; V5-T22 PolarHBondContact N-O 2.65Å; V5-T22 PolarHBondContact O-N 2.93Å; F20-T22 HydrophobicContact CE1-CG2 4.01Å |
| 23 | E | 92.4 | Very high | 83.6 | Confident | 107 Ų | 107 | 108.4 Ų | 108.4 | 50% | 0.5 | 62% | 0.62 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -134.7 | 149.8 | 174.7 | 63.9 | -173 | 175.8 | 0 | 0 | 108.2 | I4 L25 | I4-E23 HydrophobicContact CG1-CB 4.25Å; E23-L25 PolarHBondContact O-N 2.8Å; E23-L25 HydrophobicContact CG-CG 4.15Å; E23-L25 HydrophobicContact CG-CD2 4.05Å |
| 24 | V | 89.6 | Confident | 81.3 | Confident | 115 Ų | 115 | 105.2 Ų | 105.2 | 70% | 0.697 | 62% | 0.621 | S | S | * | * | | | trans | -82.9 | 104.5 | 176 | -178.2 | 0 | 0 | 0 | 0 | 108 | | |
| 25 | L | 83.9 | Confident | 79 | Confident | 127 Ų | 127 | 102.7 Ų | 102.7 | 67% | 0.665 | 62% | 0.617 | S | S | * | * | P | Polyproline II helix | trans | -87.5 | 122.6 | 169.2 | -62.7 | 177.8 | 0 | 0 | 0 | 108.6 | E23 A27 | E23-L25 PolarHBondContact O-N 2.8Å; E23-L25 HydrophobicContact CG-CG 4.15Å; E23-L25 HydrophobicContact CG-CD2 4.05Å; L25-A27 PolarHBondContact O-N 3.22Å |
| 26 | H | 84.6 | Confident | 76.5 | Confident | 160 Ų | 160 | 104.8 Ų | 104.8 | 74% | 0.741 | 64% | 0.638 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 123.2 | 168.9 | -73.3 | -140 | 0 | 0 | 0 | 107.3 | | |
| 27 | A | 80.5 | Confident | 73.8 | Confident | 88 Ų | 88 | 108.2 Ų | 108.2 | 73% | 0.727 | 65% | 0.652 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 138.8 | 170.5 | 0 | 0 | 0 | 0 | 0 | 108.8 | L25 L29 | L25-A27 PolarHBondContact O-N 3.22Å; A27-L29 PolarHBondContact O-N 3.47Å; A27-L29 VanDerWaalsContact O-N 3.07Å |
| 28 | P | 73.3 | Confident | 71.3 | Confident | 121 Ų | 121 | 105.2 Ų | 105.2 | 79% | 0.786 | 65% | 0.653 | S | S | * | * | P | Polyproline II helix | trans | -54.9 | 120.9 | 165.8 | -17.3 | 29.3 | 0 | 0 | 0 | 106.9 | | |
| 29 | L | 66.4 | Low | 68.9 | Low | 150 Ų | 150 | 106.6 Ų | 106.6 | 79% | 0.785 | 66% | 0.663 | S | S | * | * | P | Polyproline II helix | trans | -53.2 | 127.6 | 171.3 | -167.1 | 80.7 | 0 | 0 | 0 | 105.9 | A27 Q31 | A27-L29 PolarHBondContact O-N 3.47Å; A27-L29 VanDerWaalsContact O-N 3.07Å; L29-Q31 PolarHBondContact O-N 2.78Å |
| 30 | P | 66.7 | Low | 66.1 | Low | 109 Ų | 109 | 107.1 Ų | 107.1 | 71% | 0.708 | 67% | 0.667 | S | S | * | * | P | Polyproline II helix | trans | -53.6 | 119.4 | 165.6 | 22.9 | -29.8 | 0 | 0 | 0 | 104.1 | G32 | P30-G32 PolarHBondContact O-N 2.79Š|
| 31 | Q | 64.3 | Low | 63.5 | Low | 194 Ų | 194 | 109.7 Ų | 109.7 | 91% | 0.907 | 68% | 0.68 | S | S | * | * | | | trans | -55.2 | 98.9 | 172.2 | -83.9 | 173.1 | -35.6 | 0 | 0 | 104.3 | L29 A33 | L29-Q31 PolarHBondContact O-N 2.78Å; Q31-A33 PolarHBondContact O-N 3.3Å |
| 32 | G | 48 | Very low | 60.8 | Low | 64 Ų | 64 | 111 Ų | 111 | 66% | 0.66 | 69% | 0.686 | S | S | * | * | | | trans | -52.3 | 118.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 103.9 | P30 G34 | P30-G32 PolarHBondContact O-N 2.79Å; G32-G34 PolarHBondContact O-N 2.82Å |
| 33 | A | 52.1 | Low | 58.5 | Low | 87 Ų | 87 | 115.9 Ų | 115.9 | 72% | 0.719 | 70% | 0.704 | S | S | * | * | | | trans | -48.7 | 95.7 | 156.5 | 0 | 0 | 0 | 0 | 0 | 105.1 | Q31 S35 | Q31-A33 PolarHBondContact O-N 3.3Å; A33-S35 PolarHBondContact O-N 3.27Å |
| 34 | G | 47 | Very low | 55.7 | Low | 74 Ų | 74 | 118.8 Ų | 118.8 | 76% | 0.763 | 72% | 0.717 | S | S | * | * | | | trans | -59.5 | 84.6 | 149 | 0 | 0 | 0 | 0 | 0 | 103.5 | G32 G36 | G32-G34 PolarHBondContact O-N 2.82Å; G34-G36 PolarHBondContact O-N 3.14Å |
| 35 | S | 45.5 | Very low | 53.7 | Low | 66 Ų | 66 | 118 Ų | 118 | 46% | 0.462 | 72% | 0.723 | S | S | . | * | | | trans | -75.8 | 117.7 | 179.1 | 112.6 | 0 | 0 | 0 | 0 | 105.7 | A33 S38 | A33-S35 PolarHBondContact O-N 3.27Å; S35-S38 WeakPolarHBondContact CA-O 3.25Å; S35-S38 PolarHBondContact OG-O 3.33Å; S35-S38 WeakPolarHBondContact CB-O 3.23Å; S35-S38 CarbonylContact C-O 3.13Å |
| 36 | G | 42.6 | Very low | 51.4 | Low | 69 Ų | 69 | 119.6 Ų | 119.6 | 71% | 0.711 | 73% | 0.727 | S | S | * | * | S | Bend | trans | 117.5 | 73.6 | 167 | 0 | 0 | 0 | 0 | 0 | 111.9 | G34 S38 | G34-G36 PolarHBondContact O-N 3.14Å; G36-S38 PolarHBondContact N-O 2.78Å |
| 37 | D | 40.4 | Very low | 49.9 | Very low | 161 Ų | 161 | 121.8 Ų | 121.8 | 86% | 0.861 | 74% | 0.737 | S | S | * | * | S | Bend | cis | -74.2 | 126.1 | 29.5 | -156.9 | -117.6 | 0 | 0 | 0 | 114.9 | | |
| 38 | S | 42.6 | Very low | 48.4 | Very low | 80 Ų | 80 | 126.2 Ų | 126.2 | 56% | 0.559 | 74% | 0.743 | S | S | * | * | S | Bend | trans | 92.6 | 125.6 | -178.2 | -64.4 | 0 | 0 | 0 | 0 | 119.5 | S35 G36 | S35-S38 WeakPolarHBondContact CA-O 3.25Å; S35-S38 PolarHBondContact OG-O 3.33Å; S35-S38 WeakPolarHBondContact CB-O 3.23Å; S35-S38 CarbonylContact C-O 3.13Å; G36-S38 PolarHBondContact N-O 2.78Å |
| 39 | P | 46.3 | Very low | 47.2 | Very low | 115 Ų | 115 | 128.7 Ų | 128.7 | 75% | 0.747 | 74% | 0.744 | S | S | * | * | | | trans | -100.8 | 145.3 | -172.5 | 38.2 | -30.9 | 0 | 0 | 0 | 114.2 | | |
| 40 | D | 36.1 | Very low | 46.4 | Very low | 121 Ų | 121 | 125.4 Ų | 125.4 | 65% | 0.647 | 75% | 0.747 | S | S | * | * | | | trans | 176.1 | 106.4 | 139.4 | -137.3 | -129.2 | 0 | 0 | 0 | 109.5 | | |
| 41 | Q | 42.1 | Very low | 46.1 | Very low | 152 Ų | 152 | 123.6 Ų | 123.6 | 71% | 0.71 | 75% | 0.748 | S | S | * | * | | | | 92.9 | 105 | 88.2 | -151.1 | 175.8 | 136.5 | 0 | 0 | 113.8 | | |
| 42 | V | 38.1 | Very low | 46 | Very low | 103 Ų | 103 | 120.3 Ų | 120.3 | 62% | 0.624 | 74% | 0.735 | S | S | * | * | | | trans | 53.1 | 122 | 131.2 | -176.2 | 0 | 0 | 0 | 0 | 120 | | |
| 43 | E | 45.2 | Very low | 47.3 | Very low | 171 Ų | 171 | 125.8 Ų | 125.8 | 80% | 0.799 | 74% | 0.743 | S | S | * | * | | | trans | 31.1 | 121.9 | 138.8 | -49.2 | 174.5 | 95.4 | 0 | 0 | 118.9 | | |
| 44 | Q | 34.3 | Very low | 47.9 | Very low | 168 Ų | 168 | 128.6 Ų | 128.6 | 79% | 0.785 | 74% | 0.744 | S | S | * | * | | | trans | -159.7 | 121.3 | 139.2 | -111.1 | 157.8 | 114.8 | 0 | 0 | 111.5 | | |
| 45 | A | 47.7 | Very low | 48.9 | Very low | 99 Ų | 99 | 129.2 Ų | 129.2 | 82% | 0.818 | 74% | 0.736 | S | S | * | * | | | trans | -78.9 | 119.3 | 165.7 | 0 | 0 | 0 | 0 | 0 | 108 | | |
| 46 | E | 35.2 | Very low | 49.3 | Very low | 159 Ų | 159 | 131.8 Ų | 131.8 | 74% | 0.743 | 75% | 0.754 | S | S | * | * | | | trans | -147.4 | 117.3 | 157.9 | -7.7 | -145.9 | 93.6 | 0 | 0 | 108.6 | E48 | E46-E48 PolarHBondContact O-N 3.4Š|
| 47 | E | 53.2 | Low | 50.7 | Low | 206 Ų | 206 | 139.4 Ų | 139.4 | 96% | 0.963 | 76% | 0.761 | S | S | * | * | | | trans | -59.6 | 109.6 | 163.7 | -70 | 178.1 | 100.2 | 0 | 0 | 107.8 | | |
| 48 | E | 48.8 | Very low | 51.6 | Low | 181 Ų | 181 | 138.2 Ų | 138.2 | 85% | 0.846 | 76% | 0.759 | S | S | * | * | | | trans | -110.4 | 93.3 | 168.8 | -156.2 | -145.6 | 121.6 | 0 | 0 | 109.7 | E46 | E46-E48 PolarHBondContact O-N 3.4Š|
| 49 | E | 48.2 | Very low | 52.7 | Low | 173 Ų | 173 | 145.5 Ų | 145.5 | 81% | 0.808 | 78% | 0.775 | S | S | * | * | | | trans | 23.2 | 109.6 | 142.5 | -161.2 | 156.8 | 117.2 | 0 | 0 | 117 | G51 | E49-G51 VanDerWaalsContact C-N 3.34Å; E49-G51 PolarHBondContact O-N 3.21Å |
| 50 | G | 49.7 | Very low | 53.1 | Low | 82 Ų | 82 | 144.3 Ų | 144.3 | 85% | 0.845 | 78% | 0.775 | S | S | * | * | | | trans | -58.8 | 89.7 | 170.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | I52 | G50-I52 PolarHBondContact O-N 3.09Š|
| 51 | G | 61.1 | Low | 53.9 | Low | 70 Ų | 70 | 146.2 Ų | 146.2 | 72% | 0.722 | 78% | 0.779 | S | S | * | * | | | trans | -77.9 | 114.8 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | E49 Q53 | E49-G51 VanDerWaalsContact C-N 3.34Å; E49-G51 PolarHBondContact O-N 3.21Å; G51-Q53 PolarHBondContact O-N 3.48Å |
| 52 | I | 62.7 | Low | 54.4 | Low | 125 Ų | 125 | 144.3 Ų | 144.3 | 64% | 0.641 | 78% | 0.783 | S | S | * | * | | | trans | -76.2 | 102 | 169.3 | 48.7 | 162.8 | 0 | 0 | 0 | 110.2 | G50 M54 | G50-I52 PolarHBondContact O-N 3.09Å; I52-M54 VanDerWaalsContact O-N 3.14Å; I52-M54 PolarHBondContact O-N 3.34Å; I52-M54 HydrophobicContact CD1-CE 3.36Å; I52-M54 HydrophobicContact CG1-CE 4.15Å |
| 53 | Q | 74.3 | Confident | 54.7 | Low | 179 Ų | 179 | 144.6 Ų | 144.6 | 84% | 0.836 | 79% | 0.787 | S | S | * | * | | | trans | -72.9 | 105.7 | 174.5 | -168.1 | -176.8 | 2.8 | 0 | 0 | 110.4 | G51 | G51-Q53 PolarHBondContact O-N 3.48Š|
| 54 | M | 65.4 | Low | 55 | Low | 147 Ų | 147 | 141 Ų | 141 | 72% | 0.724 | 79% | 0.787 | S | S | * | * | | | trans | -88.6 | 112.4 | 175.1 | -57.7 | -177.9 | -153.8 | 0 | 0 | 110.1 | I52 | I52-M54 VanDerWaalsContact O-N 3.14Å; I52-M54 PolarHBondContact O-N 3.34Å; I52-M54 HydrophobicContact CD1-CE 3.36Å; I52-M54 HydrophobicContact CG1-CE 4.15Å |
| 55 | S | 67.2 | Low | 55.8 | Low | 87 Ų | 87 | 142.8 Ų | 142.8 | 61% | 0.608 | 80% | 0.795 | S | S | * | * | | | trans | -112.2 | 112.3 | 171.6 | 60 | 0 | 0 | 0 | 0 | 110.6 | R57 | S55-R57 PolarHBondContact O-N 3.15Å; S55-R57 VanDerWaalsContact O-N 3.15Å |
| 56 | S | 53.9 | Low | 56.1 | Low | 119 Ų | 119 | 141.7 Ų | 141.7 | 83% | 0.832 | 79% | 0.793 | S | S | * | * | | | trans | -84.2 | 82.7 | 176.2 | 60 | 0 | 0 | 0 | 0 | 110.1 | V58 | S56-V58 PolarHBondContact O-N 3.04Š|
| 57 | R | 71.5 | Confident | 56.3 | Low | 230 Ų | 230 | 139 Ų | 139 | 87% | 0.868 | 80% | 0.798 | S | S | * | * | | | trans | -84.3 | 100.1 | 166.5 | -65.8 | -175.2 | -171.3 | -136 | 2.7 | 108.6 | S55 R59 | S55-R57 PolarHBondContact O-N 3.15Å; S55-R57 VanDerWaalsContact O-N 3.15Å; R57-R59 PolarHBondContact O-N 3.19Å; R57-R59 VanDerWaalsContact O-N 3.09Å |
| 58 | V | 60.1 | Low | 56.2 | Low | 135 Ų | 135 | 134.7 Ų | 134.7 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | | | trans | -65.9 | 106.8 | 165.8 | -64.5 | 0 | 0 | 0 | 0 | 107.6 | S56 A60 | S56-V58 PolarHBondContact O-N 3.04Å; V58-A60 PolarHBondContact O-N 3.48Å |
| 59 | R | 65 | Low | 56.3 | Low | 233 Ų | 233 | 131.4 Ų | 131.4 | 88% | 0.879 | 79% | 0.788 | S | S | * | * | | | trans | -71.6 | 102.3 | 169.3 | -156.2 | 178.2 | -155.3 | -160.1 | 5.3 | 105.7 | R57 H61 | R57-R59 PolarHBondContact O-N 3.19Å; R57-R59 VanDerWaalsContact O-N 3.09Å; R59-H61 PolarHBondContact O-N 3.33Å |
| 60 | A | 55.2 | Low | 56.1 | Low | 91 Ų | 91 | 131.5 Ų | 131.5 | 75% | 0.752 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -54.6 | 117.8 | 170.5 | 0 | 0 | 0 | 0 | 0 | 107.1 | V58 S62 | V58-A60 PolarHBondContact O-N 3.48Å; A60-S62 PolarHBondContact O-N 3.35Å |
| 61 | H | 52.7 | Low | 56.5 | Low | 160 Ų | 160 | 133.6 Ų | 133.6 | 74% | 0.741 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -56.8 | 123.6 | 169.8 | -67 | -79.9 | 0 | 0 | 0 | 106.7 | R59 P63 | R59-H61 PolarHBondContact O-N 3.33Å; H61-P63 WeakPolarHBondContact O-CD 3.19Å; H61-P63 VanDerWaalsContact O-N 3.13Å |
| 62 | S | 53 | Low | 56.1 | Low | 112 Ų | 112 | 134.7 Ų | 134.7 | 78% | 0.783 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 117.3 | 166.6 | -170.3 | 0 | 0 | 0 | 0 | 106.2 | A60 A64 | A60-S62 PolarHBondContact O-N 3.35Å; S62-A64 PolarHBondContact O-N 3.05Å |
| 63 | P | 44.1 | Very low | 55.8 | Low | 110 Ų | 110 | 134.5 Ų | 134.5 | 71% | 0.714 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 131 | 170.3 | -11.6 | 27.9 | 0 | 0 | 0 | 106.3 | H61 E65 | H61-P63 WeakPolarHBondContact O-CD 3.19Å; H61-P63 VanDerWaalsContact O-N 3.13Å; P63-E65 PolarHBondContact O-N 3.14Å |
| 64 | A | 51 | Low | 55.2 | Low | 96 Ų | 96 | 131.9 Ų | 131.9 | 79% | 0.793 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -54.9 | 129.6 | 162.4 | 0 | 0 | 0 | 0 | 0 | 107.3 | S62 G66 | S62-A64 PolarHBondContact O-N 3.05Å; A64-G66 PolarHBondContact O-N 3.3Å; A64-G66 VanDerWaalsContact O-N 3.14Å |
| 65 | E | 52.9 | Low | 55 | Low | 205 Ų | 205 | 127.4 Ų | 127.4 | 96% | 0.958 | 79% | 0.786 | S | S | * | * | S | Bend | trans | -53.5 | 119.6 | -178.5 | -65.9 | -164.1 | 108 | 0 | 0 | 110.3 | P63 | P63-E65 PolarHBondContact O-N 3.14Š|
| 66 | G | 53.4 | Low | 54.9 | Low | 76 Ų | 76 | 129.8 Ų | 129.8 | 78% | 0.784 | 80% | 0.8 | S | S | * | * | | | trans | 137.9 | 60.6 | 171.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | A64 | A64-G66 PolarHBondContact O-N 3.3Å; A64-G66 VanDerWaalsContact O-N 3.14Å |
| 67 | A | 39.3 | Very low | 55.4 | Low | 102 Ų | 102 | 133.5 Ų | 133.5 | 84% | 0.843 | 80% | 0.801 | S | S | * | * | | | trans | -164.6 | 115 | 147.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 68 | S | 51 | Low | 55.2 | Low | 115 Ų | 115 | 131 Ų | 131 | 80% | 0.804 | 80% | 0.796 | S | S | * | * | | | trans | -66.2 | 159.6 | 175.9 | -64 | 0 | 0 | 0 | 0 | 113 | | |
| 69 | S | 50 | Low | 55.8 | Low | 112 Ų | 112 | 129.7 Ų | 129.7 | 78% | 0.783 | 79% | 0.793 | S | S | * | * | | | trans | 98.1 | 119 | 151.6 | 66.6 | 0 | 0 | 0 | 0 | 119.9 | | |
| 70 | E | 45.5 | Very low | 56.2 | Low | 175 Ų | 175 | 125 Ų | 125 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | | | trans | 72 | 90.1 | 153.2 | -65.9 | -167.8 | 82.5 | 0 | 0 | 120.1 | S72 | E70-S72 PolarHBondContact O-N 3.37Š|
| 71 | S | 56.2 | Low | 56.8 | Low | 126 Ų | 126 | 129 Ų | 129 | 88% | 0.881 | 79% | 0.791 | S | S | * | * | | | trans | -60.3 | 109.7 | 148.1 | 161.3 | 0 | 0 | 0 | 0 | 110.4 | | |
| 72 | S | 53.9 | Low | 57.3 | Low | 94 Ų | 94 | 131.1 Ų | 131.1 | 66% | 0.657 | 82% | 0.821 | S | S | * | * | | | trans | -146.7 | 100.1 | 153.1 | 54.6 | 0 | 0 | 0 | 0 | 110.5 | E70 P74 | E70-S72 PolarHBondContact O-N 3.37Å; S72-P74 WeakPolarHBondContact O-CD 3.47Å |
| 73 | S | 56.6 | Low | 57.5 | Low | 120 Ų | 120 | 132.1 Ų | 132.1 | 84% | 0.839 | 82% | 0.823 | S | S | * | * | | | trans | -86.6 | 118 | 163.9 | -74.2 | 0 | 0 | 0 | 0 | 108.6 | G75 | S73-G75 PolarHBondContact O-N 3.18Š|
| 74 | P | 60.3 | Low | 58.2 | Low | 124 Ų | 124 | 133.2 Ų | 133.2 | 81% | 0.805 | 83% | 0.828 | S | S | * | * | | | trans | -79.5 | 111.7 | 165.6 | -0.3 | 18.4 | 0 | 0 | 0 | 107.9 | S72 | S72-P74 WeakPolarHBondContact O-CD 3.47Š|
| 75 | G | 61.9 | Low | 58.6 | Low | 53 Ų | 53 | 135.3 Ų | 135.3 | 55% | 0.546 | 83% | 0.83 | S | S | . | * | P | Polyproline II helix | trans | -60.2 | 156.9 | 169.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | S73 K77 | S73-G75 PolarHBondContact O-N 3.18Å; G75-K77 PolarHBondContact O-N 3.46Å |
| 76 | P | 64.6 | Low | 58.9 | Low | 137 Ų | 137 | 131.2 Ų | 131.2 | 89% | 0.89 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 120.7 | -179.3 | 23.8 | -31.2 | 0 | 0 | 0 | 110.1 | K78 | P76-K78 PolarHBondContact O-N 3.4Š|
| 77 | K | 64.6 | Low | 59.3 | Low | 198 Ų | 198 | 134.6 Ų | 134.6 | 86% | 0.861 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 124.9 | 175.7 | -70.7 | 179.4 | 174 | 179.4 | 0 | 108.8 | G75 S79 | G75-K77 PolarHBondContact O-N 3.46Å; K77-S79 PolarHBondContact O-N 3.5Å |
| 78 | K | 67 | Low | 60.6 | Low | 177 Ų | 177 | 136.8 Ų | 136.8 | 77% | 0.77 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -52.6 | 131.1 | 165.2 | 60.5 | 169 | -167.6 | -85.3 | 0 | 109.4 | P76 D80 | P76-K78 PolarHBondContact O-N 3.4Å; K78-D80 WeakPolarHBondContact CE-OD2 3.39Å |
| 79 | S | 74.3 | Confident | 61.3 | Low | 107 Ų | 107 | 138.4 Ų | 138.4 | 75% | 0.748 | 83% | 0.826 | S | S | * | * | | | trans | -99.5 | 104.7 | 166.5 | 55.6 | 0 | 0 | 0 | 0 | 107.8 | K77 M81 | K77-S79 PolarHBondContact O-N 3.5Å; S79-M81 PolarHBondContact O-N 3.26Å |
| 80 | D | 72.4 | Confident | 62.2 | Low | 134 Ų | 134 | 140.4 Ų | 140.4 | 72% | 0.717 | 83% | 0.829 | S | S | * | * | | | trans | -70.2 | 121.3 | 164.7 | -80.7 | -80.2 | 0 | 0 | 0 | 108 | K78 | K78-D80 WeakPolarHBondContact CE-OD2 3.39Š|
| 81 | M | 68.4 | Low | 63.6 | Low | 177 Ų | 177 | 137.5 Ų | 137.5 | 87% | 0.872 | 83% | 0.83 | S | S | * | * | | | trans | -100.4 | 128 | 166.1 | -71 | -150.1 | 75.9 | 0 | 0 | 108.7 | S79 | S79-M81 PolarHBondContact O-N 3.26Š|
| 82 | C | 62.4 | Low | 64.2 | Low | 203 Ų | 203 | 138.5 Ų | 138.5 | 100% | 1.372 | 83% | 0.825 | S | S | * | * | | | trans | -73 | 0 | 171.5 | -64.7 | 0 | 0 | 0 | 0 | 112.2 | | |