| 1 | M | 60.4 | Low | 70.9 | Confident | 232 Ų | 232 | 148.7 Ų | 148.7 | 100% | 1.143 | 80% | 0.798 | S | S | * | * | | | | 0 | 118.6 | 0 | -46.9 | 106.7 | 85.5 | 0 | 0 | 105.2 | L3 | M1-L3 PolarHBondContact O-N 3.03Š|
| 2 | D | 76.1 | Confident | 70.1 | Confident | 158 Ų | 158 | 155 Ų | 155 | 85% | 0.845 | 80% | 0.802 | S | S | * | * | | | trans | -82.2 | 113.4 | -170.5 | -62.3 | -26.4 | 0 | 0 | 0 | 109.9 | F4 | D2-F4 PolarHBondContact O-N 2.85Š|
| 3 | L | 77.6 | Confident | 69.5 | Low | 147 Ų | 147 | 148.2 Ų | 148.2 | 77% | 0.77 | 78% | 0.783 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.3 | -13.5 | -173.2 | -163.9 | 64.6 | 0 | 0 | 0 | 113.3 | M1 | M1-L3 PolarHBondContact O-N 3.03Š|
| 4 | F | 72.5 | Confident | 68.7 | Low | 179 Ų | 179 | 146.3 Ų | 146.3 | 79% | 0.785 | 78% | 0.783 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.4 | -1.4 | -175.2 | -63.6 | -79.4 | 0 | 0 | 0 | 113.8 | D2 | D2-F4 PolarHBondContact O-N 2.85Š|
| 5 | G | 71 | Confident | 67.9 | Low | 65 Ų | 65 | 150.5 Ų | 150.5 | 67% | 0.67 | 78% | 0.784 | S | S | * | * | S | Bend | trans | -89.1 | -13.4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 6 | D | 74.4 | Confident | 67.2 | Low | 161 Ų | 161 | 148.5 Ų | 148.5 | 86% | 0.861 | 78% | 0.783 | S | S | * | * | S | Bend | trans | -106.2 | -2.8 | -176.8 | -97.3 | -5 | 0 | 0 | 0 | 113.6 | | |
| 7 | L | 74.6 | Confident | 66.3 | Low | 117 Ų | 117 | 144.1 Ų | 144.1 | 61% | 0.613 | 77% | 0.767 | S | S | * | * | S | Bend | trans | -74 | 125.8 | 169.6 | -80.3 | 157 | 0 | 0 | 0 | 107.4 | E9 | L7-E9 PolarHBondContact O-N 3.2Å; L7-E9 VanDerWaalsContact O-N 3.1Å |
| 8 | P | 71.6 | Confident | 65.9 | Low | 112 Ų | 112 | 142.7 Ų | 142.7 | 73% | 0.727 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -54.5 | 126.4 | 172.4 | 23.9 | -31.9 | 0 | 0 | 0 | 107.1 | | |
| 9 | E | 71.7 | Confident | 65.2 | Low | 171 Ų | 171 | 138.6 Ų | 138.6 | 80% | 0.799 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -51.8 | 124.8 | 168.4 | -78.8 | -147.9 | 112.7 | 0 | 0 | 106.1 | L7 E11 | L7-E9 PolarHBondContact O-N 3.2Å; L7-E9 VanDerWaalsContact O-N 3.1Å; E9-E11 VanDerWaalsContact C-N 3.34Å; E9-E11 PolarHBondContact O-N 2.78Å |
| 10 | P | 69.1 | Low | 64.7 | Low | 107 Ų | 107 | 139.5 Ų | 139.5 | 70% | 0.695 | 77% | 0.768 | S | S | * | * | | | trans | -57.5 | 104.4 | -178.9 | 22.2 | -31.7 | 0 | 0 | 0 | 106.4 | R12 A13 | P10-R12 PolarHBondContact O-N 2.65Å; P10-R12 WeakPolarHBondContact O-CA 3.13Å; P10-R12 VanDerWaalsContact O-CA 3.31Å; P10-R12 VanDerWaalsContact C-N 3.32Å; P10-A13 PolarHBondContact O-N 2.88Å |
| 11 | E | 61.3 | Low | 64.3 | Low | 187 Ų | 187 | 142.6 Ų | 142.6 | 87% | 0.874 | 78% | 0.777 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -41.1 | 94.9 | -165 | -73.5 | -170.3 | 122.3 | 0 | 0 | 109.7 | E9 A13 | E9-E11 VanDerWaalsContact C-N 3.34Å; E9-E11 PolarHBondContact O-N 2.78Å; E11-A13 PolarHBondContact O-N 2.96Å |
| 12 | R | 61.1 | Low | 64.4 | Low | 224 Ų | 224 | 133.6 Ų | 133.6 | 85% | 0.845 | 74% | 0.74 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 2.6 | 76.1 | -164.9 | -78.1 | 177.7 | 175 | 171.9 | 0.9 | 111.5 | P10 | P10-R12 PolarHBondContact O-N 2.65Å; P10-R12 WeakPolarHBondContact O-CA 3.13Å; P10-R12 VanDerWaalsContact O-CA 3.31Å; P10-R12 VanDerWaalsContact C-N 3.32Å |
| 13 | A | 62.5 | Low | 63.5 | Low | 67 Ų | 67 | 135.2 Ų | 135.2 | 55% | 0.554 | 74% | 0.742 | S | S | * | * | | | trans | -46 | 121.1 | 171.6 | 0 | 0 | 0 | 0 | 0 | 104.3 | P10 E11 R15 | P10-A13 PolarHBondContact O-N 2.88Å; E11-A13 PolarHBondContact O-N 2.96Å; A13-R15 VanDerWaalsContact C-N 3.34Å; A13-R15 PolarHBondContact O-N 3.17Å |
| 14 | P | 58 | Low | 62.5 | Low | 121 Ų | 121 | 131.4 Ų | 131.4 | 79% | 0.786 | 74% | 0.739 | S | S | * | * | | | trans | -54.3 | 109 | -163.5 | 17.9 | -29.8 | 0 | 0 | 0 | 105.2 | P16 | P14-P16 WeakPolarHBondContact O-CD 3.44Š|
| 15 | R | 57 | Low | 62 | Low | 210 Ų | 210 | 130.9 Ų | 130.9 | 79% | 0.792 | 73% | 0.732 | S | S | * | * | | | trans | -50.3 | 122.3 | 178.4 | -75 | -175.6 | -73.7 | 171 | -3.4 | 102.6 | A13 S17 | A13-R15 VanDerWaalsContact C-N 3.34Å; A13-R15 PolarHBondContact O-N 3.17Å; R15-S17 PolarHBondContact O-N 3.19Å |
| 16 | P | 56.5 | Low | 61.7 | Low | 118 Ų | 118 | 131 Ų | 131 | 77% | 0.766 | 72% | 0.721 | S | S | * | * | | | trans | -58.3 | 100.8 | 169.7 | 22.8 | -28.8 | 0 | 0 | 0 | 103.3 | P14 A18 | P14-P16 WeakPolarHBondContact O-CD 3.44Å; P16-A18 PolarHBondContact O-N 2.56Å |
| 17 | S | 52.2 | Low | 61.2 | Low | 74 Ų | 74 | 128.9 Ų | 128.9 | 52% | 0.517 | 71% | 0.713 | S | S | . | * | | | trans | -52.9 | 120.1 | 173.1 | 44.7 | 0 | 0 | 0 | 0 | 103.2 | R15 G19 K20 | R15-S17 PolarHBondContact O-N 3.19Å; S17-G19 WeakPolarHBondContact O-CA 3.01Å; S17-G19 PolarHBondContact O-N 2.97Å; S17-G19 CarbonylContact O-C 3.48Å; S17-K20 PolarHBondContact O-N 2.84Å |
| 18 | A | 58.4 | Low | 61 | Low | 119 Ų | 119 | 129.8 Ų | 129.8 | 98% | 0.983 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.6 | 73.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 108.8 | P16 | P16-A18 PolarHBondContact O-N 2.56Š|
| 19 | G | 53.2 | Low | 60.9 | Low | 64 Ų | 64 | 130.4 Ų | 130.4 | 66% | 0.66 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 162.6 | 20.2 | -158.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | S17 | S17-G19 WeakPolarHBondContact O-CA 3.01Å; S17-G19 PolarHBondContact O-N 2.97Å; S17-G19 CarbonylContact O-C 3.48Å |
| 20 | K | 55.8 | Low | 60.8 | Low | 157 Ų | 157 | 125.8 Ų | 125.8 | 68% | 0.683 | 69% | 0.688 | S | S | * | * | | | trans | -108.9 | 59.6 | 172.4 | -150.4 | 159.4 | -166.1 | -176.8 | 0 | 109.2 | S17 A22 | S17-K20 PolarHBondContact O-N 2.84Å; K20-A22 VanDerWaalsContact CE-O 3.27Å; K20-A22 WeakPolarHBondContact CE-O 3.33Å; K20-A22 WeakPolarHBondContact CG-O 2.97Å; K20-A22 PolarHBondContact O-N 2.8Å |
| 21 | E | 55.8 | Low | 61 | Low | 204 Ų | 204 | 127.9 Ų | 127.9 | 95% | 0.953 | 69% | 0.694 | S | S | * | * | | | trans | -70 | 32.5 | 151.5 | -61.2 | -167.7 | 111.6 | 0 | 0 | 111 | | |
| 22 | A | 61.8 | Low | 61.7 | Low | 44 Ų | 44 | 123.8 Ų | 123.8 | 36% | 0.364 | 68% | 0.677 | S | S | . | * | | | trans | -157 | 107.8 | -173.4 | 0 | 0 | 0 | 0 | 0 | 107.2 | K20 | K20-A22 VanDerWaalsContact CE-O 3.27Å; K20-A22 WeakPolarHBondContact CE-O 3.33Å; K20-A22 WeakPolarHBondContact CG-O 2.97Å; K20-A22 PolarHBondContact O-N 2.8Å |
| 23 | Q | 56.6 | Low | 62.4 | Low | 191 Ų | 191 | 117.8 Ų | 117.8 | 89% | 0.893 | 67% | 0.667 | S | S | * | * | S | Bend | cis | -170.2 | 130.6 | 45.5 | -67 | 175.5 | -5.7 | 0 | 0 | 106.1 | | |
| 24 | G | 57.1 | Low | 62.8 | Low | 68 Ų | 68 | 120.3 Ų | 120.3 | 70% | 0.701 | 68% | 0.678 | S | S | * | * | | | trans | 94 | 104.3 | -178 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 25 | R | 61.5 | Low | 63.1 | Low | 167 Ų | 167 | 118.8 Ų | 118.8 | 63% | 0.63 | 68% | 0.675 | S | S | * | * | | | trans | -37.6 | 130.2 | 151 | -144.6 | 167.3 | 127.2 | -144.2 | -24.1 | 106.2 | V27 F29 E30 | R25-V27 PolarHBondContact O-N 2.88Å; R25-F29 PolarHBondContact NH2-O 3.06Å; R25-E30 PolarHBondContact NE-OE2 3.04Å; R25-E30 IonicContact NE-OE1 2.56Å; R25-E30 IonicContact NH1-OE1 3.82Å; R25-E30 IonicContact NH1-OE2 2.85Å; R25-E30 PolarHBondContact NH1-OE2 2.69Å; R25-E30 VanDerWaalsContact NH2-CD 3.33Å; R25-E30 IonicContact NH2-OE1 2.97Å; R25-E30 PolarHBondContact NH2-OE1 2.64Å; R25-E30 IonicContact NH2-OE2 3.2Å; R25-E30 PolarHBondContact NH2-OE2 2.78Å; R25-E30 PolarHBondContact NE-OE1 2.63Å; R25-E30 IonicContact CZ-OE2 2.76Å; R25-E30 IonicContact CZ-OE1 2.9Å; R25-E30 WeakPolarHBondContact CG-OE1 3.27Å; R25-E30 WeakPolarHBondContact CD-OE2 3.48Å; R25-E30 WeakPolarHBondContact CD-OE1 2.88Å; R25-E30 WeakPolarHBondContact CB-OE1 3.49Å; R25-E30 HydrophobicContact CB-CG 4.08Å; R25-E30 VanDerWaalsContact CB-CD 3.43Å; R25-E30 IonicContact NE-OE2 3.03Å |
| 26 | P | 65.6 | Low | 63.3 | Low | 69 Ų | 69 | 113.5 Ų | 113.5 | 45% | 0.448 | 67% | 0.671 | S | S | . | * | | | trans | -54 | 117.4 | -174 | -13.7 | 23.6 | 0 | 0 | 0 | 106.3 | L28 F29 | P26-L28 HydrophobicContact CB-CB 4.4Å; P26-L28 PolarHBondContact O-N 3.31Å; P26-F29 PolarHBondContact O-N 2.93Å; P26-F29 HydrophobicContact CG-CE2 3.83Å; P26-F29 HydrophobicContact CB-CE2 3.84Å; P26-F29 HydrophobicContact CB-CD2 3.64Å; P26-F29 HydrophobicContact CG-CD2 3.66Å |
| 27 | V | 64.6 | Low | 63.4 | Low | 115 Ų | 115 | 112.9 Ų | 112.9 | 70% | 0.697 | 67% | 0.669 | S | S | * | * | G | 310 helix | trans | -52.7 | -23.6 | -173.2 | -170.5 | 0 | 0 | 0 | 0 | 111.2 | R25 F29 E30 | R25-V27 PolarHBondContact O-N 2.88Å; V27-F29 PolarHBondContact O-N 3.17Å; V27-E30 PolarHBondContact O-N 3.06Å |
| 28 | L | 68.8 | Low | 63.7 | Low | 137 Ų | 137 | 114.3 Ų | 114.3 | 72% | 0.717 | 68% | 0.675 | S | S | * | * | G | 310 helix | trans | -52 | -24.4 | 169.8 | -61.3 | 171.7 | 0 | 0 | 0 | 115.6 | P26 L32 | P26-L28 HydrophobicContact CB-CB 4.4Å; P26-L28 PolarHBondContact O-N 3.31Å; L28-L32 WeakPolarHBondContact O-CD1 3.3Å; L28-L32 VanDerWaalsContact O-CG 3.3Å; L28-L32 WeakPolarHBondContact O-CG 3.33Å |
| 29 | F | 69.4 | Low | 63.8 | Low | 124 Ų | 124 | 115.5 Ų | 115.5 | 54% | 0.544 | 67% | 0.665 | S | S | . | * | G | 310 helix | trans | -116.9 | 4.7 | -179.6 | -50.4 | -71.1 | 0 | 0 | 0 | 113.3 | R25 P26 V27 L32 | R25-F29 PolarHBondContact NH2-O 3.06Å; P26-F29 PolarHBondContact O-N 2.93Å; P26-F29 HydrophobicContact CG-CE2 3.83Å; P26-F29 HydrophobicContact CB-CE2 3.84Å; P26-F29 HydrophobicContact CB-CD2 3.64Å; P26-F29 HydrophobicContact CG-CD2 3.66Å; V27-F29 PolarHBondContact O-N 3.17Å; F29-L32 HydrophobicContact CD1-CD1 3.74Å; F29-L32 HydrophobicContact CG-CD1 4.49Å; F29-L32 HydrophobicContact CB-CD1 4.33Å |
| 30 | E | 69.6 | Low | 64.2 | Low | 75 Ų | 75 | 117.4 Ų | 117.4 | 35% | 0.35 | 67% | 0.668 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -92.5 | -34.4 | 179.6 | -58.5 | -46.8 | 98.7 | 0 | 0 | 112.8 | R25 V27 | R25-E30 PolarHBondContact NE-OE2 3.04Å; R25-E30 IonicContact NE-OE1 2.56Å; R25-E30 IonicContact NH1-OE1 3.82Å; R25-E30 IonicContact NH1-OE2 2.85Å; R25-E30 PolarHBondContact NH1-OE2 2.69Å; R25-E30 VanDerWaalsContact NH2-CD 3.33Å; R25-E30 IonicContact NH2-OE1 2.97Å; R25-E30 PolarHBondContact NH2-OE1 2.64Å; R25-E30 IonicContact NH2-OE2 3.2Å; R25-E30 PolarHBondContact NH2-OE2 2.78Å; R25-E30 PolarHBondContact NE-OE1 2.63Å; R25-E30 IonicContact CZ-OE2 2.76Å; R25-E30 IonicContact CZ-OE1 2.9Å; R25-E30 WeakPolarHBondContact CG-OE1 3.27Å; R25-E30 WeakPolarHBondContact CD-OE2 3.48Å; R25-E30 WeakPolarHBondContact CD-OE1 2.88Å; R25-E30 WeakPolarHBondContact CB-OE1 3.49Å; R25-E30 HydrophobicContact CB-CG 4.08Å; R25-E30 VanDerWaalsContact CB-CD 3.43Å; R25-E30 IonicContact NE-OE2 3.03Å; V27-E30 PolarHBondContact O-N 3.06Å |
| 31 | D | 74.1 | Confident | 64.2 | Low | 151 Ų | 151 | 119.2 Ų | 119.2 | 81% | 0.807 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -102.9 | 17.8 | -179.7 | -151.6 | 24.3 | 0 | 0 | 0 | 111.8 | | |
| 32 | L | 76.4 | Confident | 64.6 | Low | 101 Ų | 101 | 115 Ų | 115 | 53% | 0.529 | 68% | 0.679 | S | S | . | * | S | Bend | trans | -77.4 | 129.7 | 168 | -62.1 | -178.4 | 0 | 0 | 0 | 107.4 | L28 F29 | L28-L32 WeakPolarHBondContact O-CD1 3.3Å; L28-L32 VanDerWaalsContact O-CG 3.3Å; L28-L32 WeakPolarHBondContact O-CG 3.33Å; F29-L32 HydrophobicContact CD1-CD1 3.74Å; F29-L32 HydrophobicContact CG-CD1 4.49Å; F29-L32 HydrophobicContact CB-CD1 4.33Å |
| 33 | P | 75.5 | Confident | 64.8 | Low | 98 Ų | 98 | 118.7 Ų | 118.7 | 64% | 0.636 | 70% | 0.695 | S | S | * | * | | | trans | -51.3 | 141.5 | 165.2 | 24.3 | -32 | 0 | 0 | 0 | 107.2 | A35 | P33-A35 PolarHBondContact O-N 3.35Š|
| 34 | P | 70.7 | Confident | 65.2 | Low | 120 Ų | 120 | 114.7 Ų | 114.7 | 78% | 0.779 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -46 | 122.1 | 173.9 | 21.4 | -32.2 | 0 | 0 | 0 | 105.6 | S36 | P34-S36 WeakPolarHBondContact O-CA 3.31Å; P34-S36 PolarHBondContact O-N 2.69Å |
| 35 | A | 65.4 | Low | 65.7 | Low | 88 Ų | 88 | 117.5 Ų | 117.5 | 73% | 0.727 | 68% | 0.683 | S | S | * | * | | | trans | -39.9 | 113 | -172.6 | 0 | 0 | 0 | 0 | 0 | 105.7 | P33 S37 | P33-A35 PolarHBondContact O-N 3.35Å; A35-S37 PolarHBondContact O-N 2.75Å |
| 36 | S | 60.8 | Low | 65.9 | Low | 100 Ų | 100 | 114.4 Ų | 114.4 | 70% | 0.699 | 69% | 0.687 | S | S | * | * | | | trans | -73.3 | 54.8 | -171.7 | 178.1 | 0 | 0 | 0 | 0 | 108.1 | P34 T38 | P34-S36 WeakPolarHBondContact O-CA 3.31Å; P34-S36 PolarHBondContact O-N 2.69Å; S36-T38 PolarHBondContact O-N 3.1Å |
| 37 | S | 57.4 | Low | 66 | Low | 104 Ų | 104 | 117.4 Ų | 117.4 | 73% | 0.727 | 70% | 0.703 | S | S | * | * | | | trans | -82.8 | 71.1 | 155.7 | -62.7 | 0 | 0 | 0 | 0 | 105 | A35 D39 | A35-S37 PolarHBondContact O-N 2.75Å; S37-D39 PolarHBondContact O-N 3.34Å |
| 38 | T | 59.3 | Low | 66.1 | Low | 105 Ų | 105 | 117.6 Ų | 117.6 | 64% | 0.644 | 70% | 0.703 | S | S | * | * | | | | -53 | 84.6 | 128.1 | 56.3 | 0 | 0 | 0 | 0 | 106 | S36 S40 | S36-T38 PolarHBondContact O-N 3.1Å; T38-S40 PolarHBondContact O-N 3.35Å |
| 39 | D | 60.2 | Low | 65.9 | Low | 144 Ų | 144 | 116.1 Ų | 116.1 | 77% | 0.77 | 70% | 0.702 | S | S | * | * | | | trans | -71.5 | 75.7 | 143.5 | -162.2 | -115.4 | 0 | 0 | 0 | 104.5 | S37 V41 | S37-D39 PolarHBondContact O-N 3.34Å; D39-V41 VanDerWaalsContact C-N 3.31Å |
| 40 | S | 62.5 | Low | 65.6 | Low | 104 Ų | 104 | 115.4 Ų | 115.4 | 73% | 0.727 | 72% | 0.715 | S | S | * | * | | | trans | -93.5 | 76.4 | 158.2 | -72.1 | 0 | 0 | 0 | 0 | 105 | T38 | T38-S40 PolarHBondContact O-N 3.35Š|
| 41 | V | 55 | Low | 65.2 | Low | 195 Ų | 195 | 119.1 Ų | 119.1 | 100% | 1.182 | 75% | 0.748 | S | S | * | * | | | | -176.9 | 0 | 125.8 | 109 | 0 | 0 | 0 | 0 | 111 | D39 | D39-V41 VanDerWaalsContact C-N 3.31Š|