| 1 | S | 62.3 | Low | 67.7 | Low | 138 Ų | 138 | 118.3 Ų | 118.3 | 97% | 0.965 | 61% | 0.608 | S | S | * | * | | | | 0 | 116 | 0 | -167 | 0 | 0 | 0 | 0 | 107.4 | | |
| 2 | S | 58.8 | Low | 68.5 | Low | 126 Ų | 126 | 114.5 Ų | 114.5 | 88% | 0.881 | 59% | 0.59 | S | S | * | * | | | trans | -96.8 | 104.8 | -176.4 | -57.2 | 0 | 0 | 0 | 0 | 108.9 | W4 | S2-W4 PolarHBondContact O-N 3.24Š|
| 3 | Y | 59.8 | Low | 69.4 | Low | 199 Ų | 199 | 115.8 Ų | 115.8 | 78% | 0.78 | 60% | 0.597 | S | S | * | * | | | trans | -78.8 | 112.4 | 175.4 | -56.2 | -83.7 | 0 | 0 | 0 | 108.3 | | |
| 4 | W | 56.9 | Low | 70.6 | Confident | 217 Ų | 217 | 117.4 Ų | 117.4 | 82% | 0.822 | 62% | 0.615 | S | S | * | * | | | trans | -93.3 | 113.9 | 176.5 | 179.6 | 65.4 | 0 | 0 | 0 | 109.8 | S2 N26 | S2-W4 PolarHBondContact O-N 3.24Å; W4-N26 PolarHBondContact O-ND2 2.99Å |
| 5 | T | 63.1 | Low | 71.5 | Confident | 82 Ų | 82 | 114.6 Ų | 114.6 | 50% | 0.503 | 60% | 0.604 | S | S | . | * | | | trans | -89 | 101.5 | 165.8 | -66.6 | 0 | 0 | 0 | 0 | 108.2 | N26 V28 | T5-N26 WeakPolarHBondContact CA-ND2 3.38Å; T5-N26 PolarHBondContact OG1-ND2 3.22Å; T5-N26 VanDerWaalsContact CA-ND2 3.29Å; T5-V28 WeakPolarHBondContact OG1-CG2 3.42Å |
| 6 | G | 68.4 | Low | 72.2 | Confident | 12 Ų | 12 | 115.3 Ų | 115.3 | 12% | 0.124 | 61% | 0.608 | C | S | . | * | | | trans | -106.7 | 136.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | D23 | G6-D23 WeakPolarHBondContact O-CB 3.4Š|
| 7 | S | 69.3 | Low | 72.8 | Confident | 61 Ų | 61 | 116.7 Ų | 116.7 | 43% | 0.427 | 61% | 0.608 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -102.9 | 130.5 | 167.3 | -64.8 | 0 | 0 | 0 | 0 | 108.8 | | |
| 8 | L | 74.8 | Confident | 73.1 | Confident | 113 Ų | 113 | 121.2 Ų | 121.2 | 59% | 0.592 | 62% | 0.618 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -97.4 | 116.2 | 179.1 | -177.1 | 65.6 | 0 | 0 | 0 | 109.9 | V10 F21 | L8-V10 HydrophobicContact CD2-CG2 4.13Å; L8-V10 HydrophobicContact CG-CG2 4.04Å; L8-F21 PolarHBondContact N-O 3.39Å; L8-F21 PolarHBondContact O-N 3.4Å |
| 9 | F | 75.4 | Confident | 73.3 | Confident | 155 Ų | 155 | 122.1 Ų | 122.1 | 68% | 0.68 | 62% | 0.617 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -96.9 | 120.8 | 174.1 | -60.1 | -88.3 | 0 | 0 | 0 | 109.1 | A20 | F9-A20 HydrophobicContact CD1-CB 3.77Å; F9-A20 HydrophobicContact CE1-CB 3.79Å |
| 10 | V | 77.9 | Confident | 73.2 | Confident | 67 Ų | 67 | 119.1 Ų | 119.1 | 41% | 0.406 | 61% | 0.612 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -111.7 | 123 | 176.6 | -176.5 | 0 | 0 | 0 | 0 | 108.6 | L8 K19 F21 | L8-V10 HydrophobicContact CD2-CG2 4.13Å; L8-V10 HydrophobicContact CG-CG2 4.04Å; V10-K19 PolarHBondContact N-O 2.99Å; V10-K19 PolarHBondContact O-N 2.95Å; V10-F21 HydrophobicContact CB-CD2 4.43Å; V10-F21 HydrophobicContact CG2-CE2 3.88Å; V10-F21 HydrophobicContact CG2-CD2 3.87Å; V10-F21 HydrophobicContact CB-CE2 4.13Å |
| 11 | Y | 78.4 | Confident | 73 | Confident | 131 Ų | 131 | 118.6 Ų | 118.6 | 51% | 0.514 | 61% | 0.605 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -98.5 | 125.7 | 174.2 | 178 | -120.2 | 0 | 0 | 0 | 110.1 | I13 N16 | Y11-I13 HydrophobicContact CD1-CG1 3.6Å; Y11-I13 HydrophobicContact CE1-CB 4.1Å; Y11-I13 HydrophobicContact CE1-CG1 3.45Å; Y11-I13 VanDerWaalsContact CE1-CG1 3.45Å; Y11-N16 PolarHBondContact OH-ND2 3.21Å |
| 12 | N | 77.6 | Confident | 73.2 | Confident | 73 Ų | 73 | 117.5 Ų | 117.5 | 39% | 0.39 | 59% | 0.588 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -99.9 | 105.4 | 172.2 | -174.1 | -48.1 | 0 | 0 | 0 | 108.9 | T14 T15 N16 K17 | N12-T14 PolarHBondContact OD1-N 2.92Å; N12-T15 WeakPolarHBondContact CB-OG1 3.4Å; N12-T15 PolarHBondContact OD1-N 2.9Å; N12-T15 PolarHBondContact OD1-OG1 2.89Å; N12-N16 PolarHBondContact O-N 3.23Å; N12-N16 WeakPolarHBondContact O-CA 3.29Å; N12-K17 PolarHBondContact N-O 2.94Å; N12-K17 PolarHBondContact O-N 2.89Å |
| 13 | I | 79.4 | Confident | 73.3 | Confident | 132 Ų | 132 | 114.8 Ų | 114.8 | 68% | 0.677 | 56% | 0.563 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.6 | -43.7 | -177.6 | -60.7 | 160.7 | 0 | 0 | 0 | 110.9 | Y11 T15 N16 | Y11-I13 HydrophobicContact CD1-CG1 3.6Å; Y11-I13 HydrophobicContact CE1-CB 4.1Å; Y11-I13 HydrophobicContact CE1-CG1 3.45Å; Y11-I13 VanDerWaalsContact CE1-CG1 3.45Å; I13-T15 VanDerWaalsContact C-N 3.34Å; I13-T15 PolarHBondContact O-N 2.84Å; I13-N16 PolarHBondContact O-N 3.39Å |
| 14 | T | 86 | Confident | 73.3 | Confident | 138 Ų | 138 | 113.6 Ų | 113.6 | 85% | 0.847 | 56% | 0.562 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.5 | -34.6 | -175.1 | -46.1 | 0 | 0 | 0 | 0 | 113 | N12 | N12-T14 PolarHBondContact OD1-N 2.92Š|
| 15 | T | 84.1 | Confident | 73.4 | Confident | 75 Ų | 75 | 112.4 Ų | 112.4 | 46% | 0.46 | 57% | 0.566 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -102.9 | -0.9 | -179 | 58.5 | 0 | 0 | 0 | 0 | 113.4 | N12 I13 K17 | N12-T15 WeakPolarHBondContact CB-OG1 3.4Å; N12-T15 PolarHBondContact OD1-N 2.9Å; N12-T15 PolarHBondContact OD1-OG1 2.89Å; I13-T15 VanDerWaalsContact C-N 3.34Å; I13-T15 PolarHBondContact O-N 2.84Å; T15-K17 WeakPolarHBondContact O-CG 3.46Å; T15-K17 PolarHBondContact O-N 3.02Å |
| 16 | N | 83.9 | Confident | 72.9 | Confident | 125 Ų | 125 | 110.9 Ų | 110.9 | 67% | 0.668 | 56% | 0.555 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 46.6 | 41.6 | -172.6 | -151.7 | -72.3 | 0 | 0 | 0 | 112.8 | Y11 N12 I13 | Y11-N16 PolarHBondContact OH-ND2 3.21Å; N12-N16 PolarHBondContact O-N 3.23Å; N12-N16 WeakPolarHBondContact O-CA 3.29Å; I13-N16 PolarHBondContact O-N 3.39Å |
| 17 | K | 81.3 | Confident | 72.5 | Confident | 140 Ų | 140 | 115.9 Ų | 115.9 | 61% | 0.609 | 58% | 0.575 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -120.6 | 136.9 | -178.1 | -76.4 | 176.4 | -173 | -174.3 | 0 | 109.9 | N12 T15 | N12-K17 PolarHBondContact N-O 2.94Å; N12-K17 PolarHBondContact O-N 2.89Å; T15-K17 WeakPolarHBondContact O-CG 3.46Å; T15-K17 PolarHBondContact O-N 3.02Å |
| 18 | Y | 78.8 | Confident | 71.9 | Confident | 198 Ų | 198 | 116.8 Ų | 116.8 | 78% | 0.776 | 58% | 0.578 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -92 | 140.4 | 168.6 | 70 | -89.1 | 0 | 0 | 0 | 109.2 | | |
| 19 | K | 76.6 | Confident | 71.1 | Confident | 138 Ų | 138 | 120.4 Ų | 120.4 | 60% | 0.6 | 59% | 0.589 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -125.8 | 117.5 | 166.6 | -75.2 | -169 | 175.8 | -174.7 | 0 | 108.1 | V10 F21 | V10-K19 PolarHBondContact N-O 2.99Å; V10-K19 PolarHBondContact O-N 2.95Å; K19-F21 HydrophobicContact CB-CE2 3.85Å; K19-F21 HydrophobicContact CB-CZ 4.21Å; K19-F21 HydrophobicContact CD-CZ 4.22Å |
| 20 | A | 71.2 | Confident | 70.3 | Confident | 62 Ų | 62 | 122 Ų | 122 | 51% | 0.512 | 60% | 0.595 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -90.5 | 121.5 | 170.6 | 0 | 0 | 0 | 0 | 0 | 108.3 | F9 | F9-A20 HydrophobicContact CD1-CB 3.77Å; F9-A20 HydrophobicContact CE1-CB 3.79Å |
| 21 | F | 69.2 | Low | 69.3 | Low | 109 Ų | 109 | 121.4 Ų | 121.4 | 48% | 0.478 | 60% | 0.604 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -100.1 | 114.2 | 169.9 | -64 | -85.4 | 0 | 0 | 0 | 107.6 | L8 V10 K19 | L8-F21 PolarHBondContact N-O 3.39Å; L8-F21 PolarHBondContact O-N 3.4Å; V10-F21 HydrophobicContact CB-CD2 4.43Å; V10-F21 HydrophobicContact CG2-CE2 3.88Å; V10-F21 HydrophobicContact CG2-CD2 3.87Å; V10-F21 HydrophobicContact CB-CE2 4.13Å; K19-F21 HydrophobicContact CB-CE2 3.85Å; K19-F21 HydrophobicContact CB-CZ 4.21Å; K19-F21 HydrophobicContact CD-CZ 4.22Å |
| 22 | L | 66.6 | Low | 68.1 | Low | 114 Ų | 114 | 120.9 Ų | 120.9 | 60% | 0.597 | 62% | 0.619 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -71.4 | 129.6 | 162.7 | -160.9 | 80.6 | 0 | 0 | 0 | 106.7 | K24 Q27 | L22-K24 PolarHBondContact O-N 2.89Å; L22-Q27 HydrophobicContact CD2-CG 4.37Å |
| 23 | D | 60.4 | Low | 67.1 | Low | 69 Ų | 69 | 127.3 Ų | 127.3 | 37% | 0.369 | 64% | 0.639 | S | S | . | * | | | trans | -60.7 | 104.2 | 175.9 | -172.4 | -98.7 | 0 | 0 | 0 | 109 | G6 Q25 N26 Q27 | G6-D23 WeakPolarHBondContact O-CB 3.4Å; D23-Q25 PolarHBondContact OD1-N 3.22Å; D23-Q25 PolarHBondContact O-N 2.82Å; D23-N26 HydrophobicContact CB-CB 4.44Å; D23-N26 CarbonylContact O-C 3.24Å; D23-N26 VanDerWaalsContact O-C 3.24Å; D23-N26 PolarHBondContact O-N 2.7Å; D23-N26 WeakPolarHBondContact OD1-CA 3.2Å; D23-N26 WeakPolarHBondContact OD1-CB 3.49Å; D23-N26 PolarHBondContact OD1-N 3.2Å; D23-Q27 PolarHBondContact O-N 3.29Å |
| 24 | K | 60.8 | Low | 65.7 | Low | 175 Ų | 175 | 133 Ų | 133 | 76% | 0.761 | 67% | 0.669 | S | S | * | * | G | 310 helix | trans | -66.9 | -20.4 | -178.8 | -94.5 | -171 | 174.5 | -176.7 | 0 | 112.1 | L22 | L22-K24 PolarHBondContact O-N 2.89Š|
| 25 | Q | 58.3 | Low | 64.6 | Low | 191 Ų | 191 | 132.7 Ų | 132.7 | 89% | 0.893 | 66% | 0.66 | S | S | * | * | G | 310 helix | trans | -81.6 | -18.7 | 177.3 | -72.6 | -178.6 | -7.8 | 0 | 0 | 112.6 | D23 | D23-Q25 PolarHBondContact OD1-N 3.22Å; D23-Q25 PolarHBondContact O-N 2.82Å |
| 26 | N | 53.2 | Low | 63.6 | Low | 51 Ų | 51 | 135.7 Ų | 135.7 | 27% | 0.273 | 67% | 0.671 | S | S | . | * | G | 310 helix | trans | -124.9 | 47.3 | 173 | -162.8 | 17 | 0 | 0 | 0 | 110.5 | W4 T5 D23 V28 | W4-N26 PolarHBondContact O-ND2 2.99Å; T5-N26 WeakPolarHBondContact CA-ND2 3.38Å; T5-N26 PolarHBondContact OG1-ND2 3.22Å; T5-N26 VanDerWaalsContact CA-ND2 3.29Å; D23-N26 HydrophobicContact CB-CB 4.44Å; D23-N26 CarbonylContact O-C 3.24Å; D23-N26 VanDerWaalsContact O-C 3.24Å; D23-N26 PolarHBondContact O-N 2.7Å; D23-N26 WeakPolarHBondContact OD1-CA 3.2Å; D23-N26 WeakPolarHBondContact OD1-CB 3.49Å; D23-N26 PolarHBondContact OD1-N 3.2Å; N26-V28 PolarHBondContact O-N 3.34Å |
| 27 | Q | 59.1 | Low | 62.5 | Low | 117 Ų | 117 | 136.3 Ų | 136.3 | 55% | 0.547 | 67% | 0.671 | S | S | . | * | | | trans | -65.2 | 87.4 | 156.8 | -73.4 | -175.3 | -74.4 | 0 | 0 | 106.6 | L22 D23 K29 | L22-Q27 HydrophobicContact CD2-CG 4.37Å; D23-Q27 PolarHBondContact O-N 3.29Å; Q27-K29 VanDerWaalsContact C-N 3.27Å; Q27-K29 PolarHBondContact O-N 2.8Å |
| 28 | V | 57.3 | Low | 61.4 | Low | 80 Ų | 80 | 136.1 Ų | 136.1 | 49% | 0.485 | 68% | 0.675 | S | S | . | * | | | trans | -47.5 | 106.7 | 157.5 | 173.1 | 0 | 0 | 0 | 0 | 104.4 | T5 N26 F30 | T5-V28 WeakPolarHBondContact OG1-CG2 3.42Å; N26-V28 PolarHBondContact O-N 3.34Å; V28-F30 VanDerWaalsContact C-N 3.33Å; V28-F30 PolarHBondContact O-N 2.83Å |
| 29 | K | 56.8 | Low | 60.3 | Low | 188 Ų | 188 | 132.3 Ų | 132.3 | 82% | 0.817 | 67% | 0.668 | S | S | * | * | | | trans | -60.3 | 103.9 | 179.9 | -70 | -177.9 | 179.1 | -179.3 | 0 | 105 | Q27 G31 | Q27-K29 VanDerWaalsContact C-N 3.27Å; Q27-K29 PolarHBondContact O-N 2.8Å; K29-G31 PolarHBondContact O-N 2.83Å |
| 30 | F | 58.8 | Low | 59.2 | Low | 188 Ų | 188 | 131.9 Ų | 131.9 | 83% | 0.825 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -62.8 | 94.2 | 166.3 | -82.8 | -87.3 | 0 | 0 | 0 | 106.1 | V28 | V28-F30 VanDerWaalsContact C-N 3.33Å; V28-F30 PolarHBondContact O-N 2.83Å |
| 31 | G | 56.6 | Low | 58.4 | Low | 56 Ų | 56 | 136.9 Ų | 136.9 | 58% | 0.577 | 68% | 0.684 | S | S | * | * | | | trans | 161.5 | 63.9 | -170.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | K29 | K29-G31 PolarHBondContact O-N 2.83Š|
| 32 | S | 53.9 | Low | 57.5 | Low | 119 Ų | 119 | 139 Ų | 139 | 83% | 0.832 | 70% | 0.7 | S | S | * | * | | | trans | 167.6 | 71 | 147.9 | -93.1 | 0 | 0 | 0 | 0 | 107.4 | | |
| 33 | Y | 56 | Low | 56.8 | Low | 209 Ų | 209 | 141.1 Ų | 141.1 | 82% | 0.82 | 71% | 0.709 | S | S | * | * | | | trans | -71.7 | 129.8 | 144.4 | -64.5 | -75.1 | 0 | 0 | 0 | 105.1 | | |
| 34 | L | 50 | Low | 56.4 | Low | 250 Ų | 250 | 147.6 Ų | 147.6 | 100% | 1.309 | 74% | 0.74 | S | S | * | * | | | trans | -41 | 0 | 178.1 | -88.7 | 110.1 | 0 | 0 | 0 | 112.9 | | |