| 1 | M | 52.1 | Low | 67.2 | Low | 205 Ų | 205 | 130.6 Ų | 130.6 | 100% | 1.01 | 69% | 0.687 | S | S | * | * | | | | 0 | 123.9 | 0 | -85.3 | -85.1 | 160.7 | 0 | 0 | 108 | G3 T4 | M1-G3 PolarHBondContact O-N 3.15Å; M1-T4 PolarHBondContact O-OG1 3.15Å |
| 2 | P | 50.1 | Low | 67.3 | Low | 142 Ų | 142 | 123.8 Ų | 123.8 | 92% | 0.922 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.9 | 101.4 | 172.7 | 27.4 | -29.3 | 0 | 0 | 0 | 107.8 | | |
| 3 | G | 58 | Low | 67.9 | Low | 75 Ų | 75 | 118.7 Ų | 118.7 | 77% | 0.773 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 139.8 | -2.1 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | M1 R5 | M1-G3 PolarHBondContact O-N 3.15Å; G3-R5 PolarHBondContact O-N 3.49Å |
| 4 | T | 64.3 | Low | 68.4 | Low | 39 Ų | 39 | 118.9 Ų | 118.9 | 24% | 0.239 | 63% | 0.625 | C | S | . | * | | | trans | -73.5 | 100.6 | 173.8 | -36.9 | 0 | 0 | 0 | 0 | 109.3 | M1 K6 H15 T17 | M1-T4 PolarHBondContact O-OG1 3.15Å; T4-K6 PolarHBondContact O-N 2.94Å; T4-H15 HydrophobicContact CG2-CB 3.75Å; T4-T17 HydrophobicContact CG2-CG2 3.79Å; T4-T17 WeakPolarHBondContact CG2-OG1 3.35Å |
| 5 | R | 68.2 | Low | 68.8 | Low | 189 Ų | 189 | 116.3 Ų | 116.3 | 71% | 0.713 | 61% | 0.608 | S | S | * | * | P | Polyproline II helix | trans | -51.4 | 128.9 | 169.7 | -90.6 | 162.5 | 62.5 | 167.8 | 7 | 108.2 | G3 E16 | G3-R5 PolarHBondContact O-N 3.49Å; R5-E16 IonicContact NE-OE2 3.15Å; R5-E16 PolarHBondContact O-N 2.98Å; R5-E16 WeakPolarHBondContact O-CG 3.05Å; R5-E16 VanDerWaalsContact NE-OE2 3.15Å; R5-E16 PolarHBondContact NE-OE2 2.96Å; R5-E16 IonicContact CZ-OE2 3.85Å; R5-E16 WeakPolarHBondContact CB-OE2 3.44Å; R5-E16 HydrophobicContact CB-CG 3.96Å |
| 6 | K | 69.7 | Low | 69 | Low | 135 Ų | 135 | 113.4 Ų | 113.4 | 59% | 0.587 | 59% | 0.591 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -88.2 | 121.4 | 177.8 | -129.6 | 176.8 | -176.1 | -175.7 | 0 | 106.8 | T4 | T4-K6 PolarHBondContact O-N 2.94Å |
| 7 | M | 73.6 | Confident | 69 | Low | 92 Ų | 92 | 111.6 Ų | 111.6 | 45% | 0.453 | 59% | 0.586 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -93.5 | 124.3 | 173.9 | -52.4 | -168 | -157.8 | 0 | 0 | 108.4 | S13 W14 E16 | M7-S13 WeakPolarHBondContact O-CA 3.43Å; M7-W14 PolarHBondContact N-O 3.38Å; M7-W14 PolarHBondContact O-N 3.06Å; M7-E16 HydrophobicContact SD-CG 4.45Å; M7-E16 HydrophobicContact CG-CG 3.94Å; M7-E16 HydrophobicContact CE-CG 3.31Å; M7-E16 HydrophobicContact CE-CB 3.55Å; M7-E16 WeakPolarHBondContact CE-OE1 2.87Å |
| 8 | E | 76.8 | Confident | 69 | Low | 152 Ų | 152 | 110.2 Ų | 110.2 | 71% | 0.71 | 59% | 0.586 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -107 | 116.8 | 172.6 | -67.3 | -170.6 | 92.6 | 0 | 0 | 109.4 | | |
| 9 | Y | 70.3 | Confident | 68.8 | Low | 160 Ų | 160 | 112.8 Ų | 112.8 | 63% | 0.627 | 59% | 0.592 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -133.6 | 124.6 | 173.7 | -174.5 | -102.9 | 0 | 0 | 0 | 109.4 | G11 S12 | Y9-G11 VanDerWaalsContact C-N 3.25Å; Y9-G11 PolarHBondContact O-N 3Å; Y9-S12 PolarHBondContact N-O 2.96Å; Y9-S12 PolarHBondContact O-N 3.19Å |
| 10 | K | 77.8 | Confident | 68.4 | Low | 174 Ų | 174 | 112.2 Ų | 112.2 | 76% | 0.757 | 59% | 0.593 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 49.5 | 42.3 | -179.1 | -66.1 | -172.3 | 174.8 | -160.4 | 0 | 113.9 | S12 | K10-S12 PolarHBondContact O-N 3.21Š|
| 11 | G | 78.6 | Confident | 68 | Low | 74 Ų | 74 | 116.3 Ų | 116.3 | 76% | 0.763 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 72.4 | 4.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115 | Y9 | Y9-G11 VanDerWaalsContact C-N 3.25Å; Y9-G11 PolarHBondContact O-N 3Å |
| 12 | S | 68.1 | Low | 68.7 | Low | 49 Ų | 49 | 111.9 Ų | 111.9 | 34% | 0.343 | 61% | 0.61 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -100.7 | 125.8 | 170.7 | -55.1 | 0 | 0 | 0 | 0 | 109.1 | Y9 K10 W14 | Y9-S12 PolarHBondContact N-O 2.96Å; Y9-S12 PolarHBondContact O-N 3.19Å; K10-S12 PolarHBondContact O-N 3.21Å; S12-W14 VanDerWaalsContact CB-CE2 3.41Å; S12-W14 PolarHBondContact O-NE1 3.47Å |
| 13 | S | 74.8 | Confident | 69.7 | Low | 57 Ų | 57 | 110.3 Ų | 110.3 | 40% | 0.399 | 59% | 0.594 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -102.9 | 119.2 | 179.7 | -40.7 | 0 | 0 | 0 | 0 | 109.6 | M7 | M7-S13 WeakPolarHBondContact O-CA 3.43Å |
| 14 | W | 74.6 | Confident | 70.4 | Confident | 121 Ų | 121 | 112.3 Ų | 112.3 | 46% | 0.458 | 58% | 0.584 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -118.4 | 149.4 | 178.5 | -29.5 | 89.8 | 0 | 0 | 0 | 109.6 | M7 S12 F19 | M7-W14 PolarHBondContact N-O 3.38Å; M7-W14 PolarHBondContact O-N 3.06Å; S12-W14 VanDerWaalsContact CB-CE2 3.41Å; S12-W14 PolarHBondContact O-NE1 3.47Å; W14-F19 HydrophobicContact CD2-CE2 4.13Å; W14-F19 HydrophobicContact CG-CE2 4.03Å; W14-F19 HydrophobicContact CE3-CZ 4.42Å; W14-F19 HydrophobicContact CE3-CE2 4.21Å; W14-F19 HydrophobicContact CB-CE2 3.94Å; W14-F19 HydrophobicContact CB-CD2 4.44Å |
| 15 | H | 74.4 | Confident | 70.7 | Confident | 80 Ų | 80 | 116.6 Ų | 116.6 | 37% | 0.37 | 60% | 0.604 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -85.6 | 136.4 | 168.2 | -56 | 118.8 | 0 | 0 | 0 | 108.5 | T4 T17 C18 | T4-H15 HydrophobicContact CG2-CB 3.75Å; H15-T17 PolarHBondContact O-N 3.1Å; H15-T17 VanDerWaalsContact O-N 3.1Å; H15-C18 HydrophobicContact CB-CB 4.31Å; H15-C18 WeakPolarHBondContact O-CB 3.46Å; H15-C18 PolarHBondContact O-N 3.47Å |
| 16 | E | 71.9 | Confident | 70.9 | Confident | 70 Ų | 70 | 112.1 Ų | 112.1 | 33% | 0.327 | 60% | 0.597 | S | S | . | * | G | 310 helix | trans | -56.6 | -31.7 | 179.4 | -40 | -151.5 | -2 | 0 | 0 | 111.8 | R5 M7 C18 | R5-E16 IonicContact NE-OE2 3.15Å; R5-E16 PolarHBondContact O-N 2.98Å; R5-E16 WeakPolarHBondContact O-CG 3.05Å; R5-E16 VanDerWaalsContact NE-OE2 3.15Å; R5-E16 PolarHBondContact NE-OE2 2.96Å; R5-E16 IonicContact CZ-OE2 3.85Å; R5-E16 WeakPolarHBondContact CB-OE2 3.44Å; R5-E16 HydrophobicContact CB-CG 3.96Å; M7-E16 HydrophobicContact SD-CG 4.45Å; M7-E16 HydrophobicContact CG-CG 3.94Å; M7-E16 HydrophobicContact CE-CG 3.31Å; M7-E16 HydrophobicContact CE-CB 3.55Å; M7-E16 WeakPolarHBondContact CE-OE1 2.87Å; E16-C18 VanDerWaalsContact C-N 3.33Å; E16-C18 PolarHBondContact O-N 3.28Å |
| 17 | T | 69.4 | Low | 71 | Confident | 83 Ų | 83 | 110.5 Ų | 110.5 | 51% | 0.509 | 60% | 0.598 | S | S | . | * | G | 310 helix | trans | -83.1 | -3.1 | -179.8 | 60.9 | 0 | 0 | 0 | 0 | 114.2 | T4 H15 F19 T20 | T4-T17 HydrophobicContact CG2-CG2 3.79Å; T4-T17 WeakPolarHBondContact CG2-OG1 3.35Å; H15-T17 PolarHBondContact O-N 3.1Å; H15-T17 VanDerWaalsContact O-N 3.1Å; T17-F19 VanDerWaalsContact C-N 3.28Å; T17-T20 PolarHBondContact O-OG1 3Å |
| 18 | C | 69.1 | Low | 70.8 | Confident | 87 Ų | 87 | 111.9 Ų | 111.9 | 59% | 0.588 | 61% | 0.608 | S | S | * | * | G | 310 helix | trans | -81.3 | -11.7 | 173.4 | -75.1 | 0 | 0 | 0 | 0 | 112.3 | H15 E16 | H15-C18 HydrophobicContact CB-CB 4.31Å; H15-C18 WeakPolarHBondContact O-CB 3.46Å; H15-C18 PolarHBondContact O-N 3.47Å; E16-C18 VanDerWaalsContact C-N 3.33Å; E16-C18 PolarHBondContact O-N 3.28Å |
| 19 | F | 64.8 | Low | 70.3 | Confident | 160 Ų | 160 | 108.8 Ų | 108.8 | 70% | 0.702 | 60% | 0.6 | S | S | * | * | G | 310 helix | trans | -111.8 | 24.4 | 178.7 | -77 | -77.5 | 0 | 0 | 0 | 113.2 | W14 T17 | W14-F19 HydrophobicContact CD2-CE2 4.13Å; W14-F19 HydrophobicContact CG-CE2 4.03Å; W14-F19 HydrophobicContact CE3-CZ 4.42Å; W14-F19 HydrophobicContact CE3-CE2 4.21Å; W14-F19 HydrophobicContact CB-CE2 3.94Å; W14-F19 HydrophobicContact CB-CD2 4.44Å; T17-F19 VanDerWaalsContact C-N 3.28Å |
| 20 | T | 61.3 | Low | 70.3 | Confident | 100 Ų | 100 | 104.5 Ų | 104.5 | 61% | 0.613 | 60% | 0.598 | S | S | * | * | | | trans | -95.6 | 131.3 | 166.7 | 52.5 | 0 | 0 | 0 | 0 | 108.1 | T17 | T17-T20 PolarHBondContact O-OG1 3Š|
| 21 | C | 59.3 | Low | 69.6 | Low | 199 Ų | 199 | 98.2 Ų | 98.2 | 100% | 1.345 | 58% | 0.583 | S | S | * | * | | | trans | -52.9 | 0 | 174.7 | -174.9 | 0 | 0 | 0 | 0 | 111.7 | | |