| 1 | I | 58.1 | Low | 58.4 | Low | 172 Ų | 172 | 103.7 Ų | 103.7 | 88% | 0.882 | 61% | 0.611 | S | S | * | * | | | | 0 | 114.2 | 0 | -65.8 | 170.1 | 0 | 0 | 0 | 106.6 | C32 | I1-C32 HydrophobicContact CG2-CB 3.27Š|
| 2 | A | 56.9 | Low | 58 | Low | 46 Ų | 46 | 100.8 Ų | 100.8 | 38% | 0.38 | 60% | 0.595 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -100.9 | 123.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 107.9 | C32 Q33 | A2-C32 WeakPolarHBondContact O-CA 3.14Å; A2-Q33 PolarHBondContact O-N 3.28Å; A2-Q33 PolarHBondContact N-O 2.06Å |
| 3 | C | 70.3 | Confident | 57.3 | Low | 78 Ų | 78 | 101.2 Ų | 101.2 | 53% | 0.527 | 61% | 0.606 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -95.4 | 125.1 | 177 | -53.8 | 0 | 0 | 0 | 0 | 108.5 | C32 | C3-C32 HydrophobicContact CB-CB 4.04Å; C3-C32 WeakPolarHBondContact CB-SG 3.14Å; C3-C32 WeakPolarHBondContact SG-CB 3.4Å; C3-C32 CovalentContact SG-SG 2.06Å; C3-C32 PolarHBondContact SG-SG 3.01Å |
| 4 | V | 64.3 | Low | 57.1 | Low | 61 Ų | 61 | 108.6 Ų | 108.6 | 37% | 0.37 | 63% | 0.631 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -93.3 | 126.4 | 174.2 | -71 | 0 | 0 | 0 | 0 | 108.4 | A6 Y31 | V4-A6 PolarHBondContact O-N 3.49Å; V4-Y31 HydrophobicContact CG2-CD2 4.27Å; V4-Y31 PolarHBondContact N-O 3.27Å; V4-Y31 WeakPolarHBondContact CG2-O 3.35Å; V4-Y31 HydrophobicContact CG2-CG 4.39Å; V4-Y31 HydrophobicContact CG2-CE2 3.83Å; V4-Y31 HydrophobicContact CG2-CE1 3.67Å; V4-Y31 HydrophobicContact CG2-CD1 4.12Å |
| 5 | S | 63.3 | Low | 57 | Low | 110 Ų | 110 | 106.9 Ų | 106.9 | 77% | 0.769 | 65% | 0.645 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 138 | 164.9 | -60.1 | 0 | 0 | 0 | 0 | 107.6 | | |
| 6 | A | 60.7 | Low | 56.8 | Low | 25 Ų | 25 | 100.7 Ų | 100.7 | 21% | 0.207 | 61% | 0.61 | C | S | . | * | P | Polyproline II helix | trans | -56.4 | 142.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | V4 D8 L28 | V4-A6 PolarHBondContact O-N 3.49Å; A6-D8 PolarHBondContact O-N 3.19Å; A6-L28 HydrophobicContact CB-CG 4.29Å; A6-L28 HydrophobicContact CB-CD2 4.33Å; A6-L28 HydrophobicContact CB-CB 3.54Å; A6-L28 HydrophobicContact CB-CD1 4.33Å |
| 7 | P | 58.3 | Low | 56.9 | Low | 80 Ų | 80 | 105.2 Ų | 105.2 | 52% | 0.519 | 62% | 0.623 | S | S | . | * | P | Polyproline II helix | trans | -60.3 | 124.4 | 178.9 | 24.1 | -32 | 0 | 0 | 0 | 109.2 | S9 | P7-S9 PolarHBondContact O-N 3.47Š|
| 8 | D | 53.5 | Low | 56.8 | Low | 156 Ų | 156 | 109.1 Ų | 109.1 | 83% | 0.834 | 63% | 0.634 | S | S | * | * | S | Bend | trans | -60.6 | 109.6 | 169.2 | -99 | -81.3 | 0 | 0 | 0 | 107.9 | A6 | A6-D8 PolarHBondContact O-N 3.19Š|
| 9 | S | 49.8 | Very low | 56.7 | Low | 101 Ų | 101 | 105.8 Ų | 105.8 | 71% | 0.706 | 62% | 0.621 | S | S | * | * | | | trans | 67.1 | 88.5 | 166.6 | -40.4 | 0 | 0 | 0 | 0 | 115.5 | P7 Q11 | P7-S9 PolarHBondContact O-N 3.47Å; S9-Q11 PolarHBondContact O-N 3.06Å; S9-Q11 VanDerWaalsContact O-N 3.11Å |
| 10 | L | 54.1 | Low | 56.8 | Low | 119 Ų | 119 | 102.5 Ų | 102.5 | 62% | 0.623 | 61% | 0.606 | S | S | * | * | | | trans | -59.6 | 114.7 | 159.1 | -152.6 | 103.6 | 0 | 0 | 0 | 107.6 | V12 L23 | L10-V12 WeakPolarHBondContact O-CG2 3.49Å; L10-V12 PolarHBondContact O-N 3.11Å; L10-L23 HydrophobicContact CB-CD1 4.44Å; L10-L23 HydrophobicContact CD2-CD1 3.89Å |
| 11 | Q | 52.8 | Low | 56.8 | Low | 193 Ų | 193 | 100.3 Ų | 100.3 | 90% | 0.902 | 60% | 0.599 | S | S | * | * | | | trans | -60.9 | 106.2 | 176.9 | -99 | -179.4 | -16.9 | 0 | 0 | 109.4 | S9 S13 | S9-Q11 PolarHBondContact O-N 3.06Å; S9-Q11 VanDerWaalsContact O-N 3.11Å; Q11-S13 PolarHBondContact O-N 3.06Å |
| 12 | V | 54.1 | Low | 56.6 | Low | 69 Ų | 69 | 99.3 Ų | 99.3 | 42% | 0.418 | 59% | 0.585 | S | S | . | * | | | trans | -86.8 | 103.1 | 176.6 | -123.2 | 0 | 0 | 0 | 0 | 107.9 | L10 G16 A19 A20 | L10-V12 WeakPolarHBondContact O-CG2 3.49Å; L10-V12 PolarHBondContact O-N 3.11Å; V12-G16 WeakPolarHBondContact CG1-O 3.18Å; V12-A19 HydrophobicContact CG1-CB 3.9Å; V12-A20 HydrophobicContact CG1-CB 4.31Å; V12-A20 HydrophobicContact CG2-CB 4.08Å |
| 13 | S | 48.8 | Very low | 56.7 | Low | 106 Ų | 106 | 100 Ų | 100 | 74% | 0.741 | 58% | 0.581 | S | S | * | * | | | trans | -63.4 | 149.8 | 172.1 | -160.3 | 0 | 0 | 0 | 0 | 110.1 | Q11 G15 G16 | Q11-S13 PolarHBondContact O-N 3.06Å; S13-G15 CarbonylContact O-C 3.54Å; S13-G15 PolarHBondContact O-N 2.72Å; S13-G16 VanDerWaalsContact O-CA 3.28Å; S13-G16 WeakPolarHBondContact O-CA 3.39Å; S13-G16 PolarHBondContact O-N 2.95Å |
| 14 | E | 54.2 | Low | 56 | Low | 205 Ų | 205 | 100 Ų | 100 | 96% | 0.958 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -47.2 | -3.6 | -167.3 | -111.6 | 174.9 | 98.1 | 0 | 0 | 119.6 | G16 | E14-G16 VanDerWaalsContact C-N 3.28Š|
| 15 | G | 55.8 | Low | 55.6 | Low | 82 Ų | 82 | 102 Ų | 102 | 85% | 0.845 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.5 | 15.3 | 162.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | S13 | S13-G15 CarbonylContact O-C 3.54Å; S13-G15 PolarHBondContact O-N 2.72Å |
| 16 | G | 54.3 | Low | 55.2 | Low | 8 Ų | 8 | 104.1 Ų | 104.1 | 8% | 0.082 | 59% | 0.591 | C | S | . | * | | | trans | -101.3 | -1.8 | -157.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | V12 S13 E14 Q18 A19 A20 | V12-G16 WeakPolarHBondContact CG1-O 3.18Å; S13-G16 VanDerWaalsContact O-CA 3.28Å; S13-G16 WeakPolarHBondContact O-CA 3.39Å; S13-G16 PolarHBondContact O-N 2.95Å; E14-G16 VanDerWaalsContact C-N 3.28Å; G16-Q18 PolarHBondContact O-N 3.38Å; G16-A19 CarbonylContact O-C 3.54Å; G16-A19 PolarHBondContact O-N 3.25Å; G16-A19 WeakPolarHBondContact O-CA 3.35Å; G16-A20 WeakPolarHBondContact O-CB 3.42Å; G16-A20 PolarHBondContact O-N 3.32Å |
| 17 | E | 57.4 | Low | 55.1 | Low | 177 Ų | 177 | 109.9 Ų | 109.9 | 83% | 0.827 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -59.3 | -36.6 | -178.1 | -75.9 | -171.1 | 88.7 | 0 | 0 | 112.5 | A21 | E17-A21 WeakPolarHBondContact O-CB 3.16Å; E17-A21 PolarHBondContact O-N 2.96Å |
| 18 | Q | 56.3 | Low | 55.4 | Low | 176 Ų | 176 | 111.4 Ų | 111.4 | 82% | 0.822 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -71.6 | -36.1 | 173.3 | -73.3 | 179.6 | 22.3 | 0 | 0 | 112.6 | G16 W22 | G16-Q18 PolarHBondContact O-N 3.38Å; Q18-W22 WeakPolarHBondContact O-CB 3.34Å; Q18-W22 PolarHBondContact O-N 3.21Å |
| 19 | A | 54.5 | Low | 55.8 | Low | 47 Ų | 47 | 113 Ų | 113 | 39% | 0.388 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -70.4 | -38.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | V12 G16 W22 L23 | V12-A19 HydrophobicContact CG1-CB 3.9Å; G16-A19 CarbonylContact O-C 3.54Å; G16-A19 PolarHBondContact O-N 3.25Å; G16-A19 WeakPolarHBondContact O-CA 3.35Å; A19-W22 PolarHBondContact O-N 3.32Å; A19-L23 WeakPolarHBondContact O-CB 3.49Å; A19-L23 PolarHBondContact O-N 3.42Å; A19-L23 WeakPolarHBondContact O-CG 3.38Å; A19-L23 WeakPolarHBondContact O-CD1 3.28Å |
| 20 | A | 58 | Low | 56.5 | Low | 38 Ų | 38 | 112.5 Ų | 112.5 | 31% | 0.314 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -64.2 | -42.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | V12 G16 L23 A24 | V12-A20 HydrophobicContact CG1-CB 4.31Å; V12-A20 HydrophobicContact CG2-CB 4.08Å; G16-A20 WeakPolarHBondContact O-CB 3.42Å; G16-A20 PolarHBondContact O-N 3.32Å; A20-L23 PolarHBondContact O-N 2.76Å; A20-A24 WeakPolarHBondContact O-CB 3.39Å; A20-A24 PolarHBondContact O-N 2.92Å |
| 21 | A | 57.2 | Low | 57 | Low | 57 Ų | 57 | 112.6 Ų | 112.6 | 47% | 0.471 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -67.1 | -37.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | E17 L23 A24 T25 | E17-A21 WeakPolarHBondContact O-CB 3.16Å; E17-A21 PolarHBondContact O-N 2.96Å; A21-L23 VanDerWaalsContact C-N 3.33Å; A21-A24 PolarHBondContact O-N 2.74Å; A21-T25 PolarHBondContact O-OG1 3.5Å; A21-T25 PolarHBondContact O-N 3.37Å |
| 22 | W | 54.4 | Low | 57.8 | Low | 152 Ų | 152 | 106.4 Ų | 106.4 | 58% | 0.576 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -68.5 | -32.6 | 175.6 | -155.8 | 84.8 | 0 | 0 | 0 | 112.5 | Q18 A19 T25 R26 | Q18-W22 WeakPolarHBondContact O-CB 3.34Å; Q18-W22 PolarHBondContact O-N 3.21Å; A19-W22 PolarHBondContact O-N 3.32Å; W22-T25 PolarHBondContact O-OG1 3.36Å; W22-R26 VanDerWaalsContact CZ2-CZ 3.48Å; W22-R26 PolarHBondContact O-N 2.9Å |
| 23 | L | 57.9 | Low | 58.1 | Low | 59 Ų | 59 | 108.1 Ų | 108.1 | 31% | 0.309 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -80.3 | -35.4 | 174.7 | -70 | 167.2 | 0 | 0 | 0 | 112.6 | L10 A19 A20 A21 T25 R26 | L10-L23 HydrophobicContact CB-CD1 4.44Å; L10-L23 HydrophobicContact CD2-CD1 3.89Å; A19-L23 WeakPolarHBondContact O-CB 3.49Å; A19-L23 PolarHBondContact O-N 3.42Å; A19-L23 WeakPolarHBondContact O-CG 3.38Å; A19-L23 WeakPolarHBondContact O-CD1 3.28Å; A20-L23 PolarHBondContact O-N 2.76Å; A21-L23 VanDerWaalsContact C-N 3.33Å; L23-T25 PolarHBondContact O-N 2.83Å; L23-R26 CarbonylContact O-C 3.43Å; L23-R26 PolarHBondContact O-N 3.29Å; L23-R26 VanDerWaalsContact O-O 3.05Å |
| 24 | A | 57.4 | Low | 58 | Low | 79 Ų | 79 | 108.3 Ų | 108.3 | 65% | 0.653 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -64.1 | -30.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | A20 A21 | A20-A24 WeakPolarHBondContact O-CB 3.39Å; A20-A24 PolarHBondContact O-N 2.92Å; A21-A24 PolarHBondContact O-N 2.74Å |
| 25 | T | 54.4 | Low | 58.1 | Low | 104 Ų | 104 | 112.5 Ų | 112.5 | 64% | 0.638 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -87.8 | -23.3 | 176.3 | 43.9 | 0 | 0 | 0 | 0 | 113.2 | A21 W22 L23 H27 | A21-T25 PolarHBondContact O-OG1 3.5Å; A21-T25 PolarHBondContact O-N 3.37Å; W22-T25 PolarHBondContact O-OG1 3.36Å; L23-T25 PolarHBondContact O-N 2.83Å; T25-H27 PolarHBondContact O-N 2.71Å |
| 26 | R | 56.4 | Low | 58.2 | Low | 153 Ų | 153 | 114.1 Ų | 114.1 | 58% | 0.577 | 57% | 0.572 | S | S | * | * | S | Bend | trans | -90.5 | 83.8 | 171.6 | -79.7 | -178 | 167.7 | -154 | -0.5 | 109.5 | W22 L23 L28 | W22-R26 VanDerWaalsContact CZ2-CZ 3.48Å; W22-R26 PolarHBondContact O-N 2.9Å; L23-R26 CarbonylContact O-C 3.43Å; L23-R26 PolarHBondContact O-N 3.29Å; L23-R26 VanDerWaalsContact O-O 3.05Å; R26-L28 PolarHBondContact O-N 3.24Å |
| 27 | H | 58.5 | Low | 58.4 | Low | 147 Ų | 147 | 119.6 Ų | 119.6 | 68% | 0.681 | 60% | 0.597 | S | S | * | * | | | trans | -30 | 110.4 | 166.6 | -66.1 | -71.5 | 0 | 0 | 0 | 111.2 | T25 R29 | T25-H27 PolarHBondContact O-N 2.71Å; H27-R29 HydrophobicContact CB-CG 4.04Å; H27-R29 PolarHBondContact O-N 3.05Å |
| 28 | L | 64.3 | Low | 58.5 | Low | 111 Ų | 111 | 116.4 Ų | 116.4 | 58% | 0.581 | 59% | 0.585 | S | S | * | * | | | trans | -64.6 | 72.3 | 171.3 | -74.7 | 174.1 | 0 | 0 | 0 | 108.6 | A6 R26 | A6-L28 HydrophobicContact CB-CG 4.29Å; A6-L28 HydrophobicContact CB-CD2 4.33Å; A6-L28 HydrophobicContact CB-CB 3.54Å; A6-L28 HydrophobicContact CB-CD1 4.33Å; R26-L28 PolarHBondContact O-N 3.24Å |
| 29 | R | 61.9 | Low | 58.6 | Low | 190 Ų | 190 | 112.9 Ų | 112.9 | 72% | 0.717 | 57% | 0.571 | S | S | * | * | | | trans | -71.9 | 137.3 | 179.1 | -62.2 | -160.1 | -164 | -163.5 | 5.9 | 107.8 | H27 Y31 | H27-R29 HydrophobicContact CB-CG 4.04Å; H27-R29 PolarHBondContact O-N 3.05Å; R29-Y31 PolarHBondContact O-N 2.99Å |
| 30 | P | 64.8 | Low | 58.9 | Low | 90 Ų | 90 | 117.1 Ų | 117.1 | 58% | 0.584 | 58% | 0.582 | S | S | * | * | | | trans | -54.1 | 121.8 | 169.2 | 24.1 | -32.3 | 0 | 0 | 0 | 107.5 | | |
| 31 | Y | 64.1 | Low | 58.9 | Low | 122 Ų | 122 | 122.3 Ų | 122.3 | 48% | 0.478 | 60% | 0.6 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -106.2 | 135.2 | 175.8 | 67.6 | -83.9 | 0 | 0 | 0 | 107.5 | V4 R29 Q33 | V4-Y31 HydrophobicContact CG2-CD2 4.27Å; V4-Y31 PolarHBondContact N-O 3.27Å; V4-Y31 WeakPolarHBondContact CG2-O 3.35Å; V4-Y31 HydrophobicContact CG2-CG 4.39Å; V4-Y31 HydrophobicContact CG2-CE2 3.83Å; V4-Y31 HydrophobicContact CG2-CE1 3.67Å; V4-Y31 HydrophobicContact CG2-CD1 4.12Å; R29-Y31 PolarHBondContact O-N 2.99Å; Y31-Q33 HydrophobicContact CD2-CG 3.77Å; Y31-Q33 HydrophobicContact CE2-CG 3.5Å; Y31-Q33 VanDerWaalsContact CE2-CG 3.5Å |
| 32 | C | 69.8 | Low | 59 | Low | 63 Ų | 63 | 127 Ų | 127 | 43% | 0.426 | 61% | 0.609 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -97.3 | 117.7 | -179.4 | -49.1 | 0 | 0 | 0 | 0 | 108.9 | I1 A2 C3 | I1-C32 HydrophobicContact CG2-CB 3.27Å; A2-C32 WeakPolarHBondContact O-CA 3.14Å; C3-C32 HydrophobicContact CB-CB 4.04Å; C3-C32 WeakPolarHBondContact CB-SG 3.14Å; C3-C32 WeakPolarHBondContact SG-CB 3.4Å; C3-C32 CovalentContact SG-SG 2.06Å; C3-C32 PolarHBondContact SG-SG 3.01Å |
| 33 | Q | 59.6 | Low | 59.4 | Low | 105 Ų | 105 | 125.1 Ų | 125.1 | 49% | 0.491 | 61% | 0.612 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -84.7 | 137.1 | 173.8 | -67.6 | -164.2 | -31.8 | 0 | 0 | 109.2 | A2 Y31 R35 | A2-Q33 PolarHBondContact O-N 3.28Å; A2-Q33 PolarHBondContact N-O 2.06Å; Y31-Q33 HydrophobicContact CD2-CG 3.77Å; Y31-Q33 HydrophobicContact CE2-CG 3.5Å; Y31-Q33 VanDerWaalsContact CE2-CG 3.5Å; Q33-R35 PolarHBondContact O-N 2.99Å |
| 34 | P | 46.5 | Very low | 59.5 | Low | 109 Ų | 109 | 130.6 Ų | 130.6 | 71% | 0.708 | 64% | 0.637 | S | S | * | * | P | Polyproline II helix | trans | -59 | 137.7 | 159.3 | 27.4 | -29.7 | 0 | 0 | 0 | 107.2 | | |
| 35 | R | 56.8 | Low | 59.7 | Low | 294 Ų | 294 | 135.3 Ų | 135.3 | 100% | 1.109 | 64% | 0.635 | S | S | * | * | | | trans | -63.3 | 0 | 169.8 | -88.2 | -165.5 | 177.1 | -161.4 | 0.6 | 109.6 | Q33 | Q33-R35 PolarHBondContact O-N 2.99Š|