| 1 | M | 49.3 | Very low | 55 | Low | 213 Ų | 213 | 143.5 Ų | 143.5 | 100% | 1.049 | 73% | 0.725 | S | S | * | * | | | | 0 | 10.1 | 0 | -66.7 | 168.3 | 133 | 0 | 0 | 114.9 | | |
| 2 | K | 52.4 | Low | 56.6 | Low | 191 Ų | 191 | 138.3 Ų | 138.3 | 83% | 0.83 | 70% | 0.699 | S | S | * | * | | | trans | -90.7 | -11.5 | 179.3 | -111.1 | 170.1 | 179 | 174.2 | 0 | 114.7 | | |
| 3 | L | 55.3 | Low | 58.5 | Low | 154 Ų | 154 | 133.3 Ų | 133.3 | 81% | 0.806 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -94.4 | -25.7 | -170.6 | -62.2 | 172.4 | 0 | 0 | 0 | 113.9 | W5 | L3-W5 PolarHBondContact O-N 2.86Å; L3-W5 VanDerWaalsContact C-N 3.32Å |
| 4 | L | 52.2 | Low | 60.2 | Low | 145 Ų | 145 | 131.9 Ų | 131.9 | 76% | 0.759 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.1 | -25.8 | 177.3 | -86.5 | 135.5 | 0 | 0 | 0 | 113.2 | | |
| 5 | W | 46.4 | Very low | 61.6 | Low | 204 Ų | 204 | 134.8 Ų | 134.8 | 77% | 0.773 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.1 | -26.6 | 178.6 | -64.7 | 96.3 | 0 | 0 | 0 | 113.3 | L3 | L3-W5 PolarHBondContact O-N 2.86Å; L3-W5 VanDerWaalsContact C-N 3.32Å |
| 6 | Q | 51.8 | Low | 62.9 | Low | 149 Ų | 149 | 128.3 Ų | 128.3 | 70% | 0.696 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.1 | -31.8 | 175.5 | -96.9 | -83.3 | 47.8 | 0 | 0 | 112.2 | K8 | Q6-K8 PolarHBondContact O-N 3Š|
| 7 | A | 51.3 | Low | 64.2 | Low | 86 Ų | 86 | 128.1 Ų | 128.1 | 71% | 0.711 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.2 | -17.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 8 | K | 54.1 | Low | 65.1 | Low | 165 Ų | 165 | 127.4 Ų | 127.4 | 72% | 0.717 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.6 | 3.8 | -176.2 | -167.5 | 160.7 | 178.3 | 173.8 | 0 | 114.1 | Q6 | Q6-K8 PolarHBondContact O-N 3Š|
| 9 | M | 58.3 | Low | 65.8 | Low | 131 Ų | 131 | 126.1 Ų | 126.1 | 65% | 0.645 | 63% | 0.634 | S | S | * | * | | | trans | -107.6 | 55.5 | 177 | -67.4 | -91.1 | -93.4 | 0 | 0 | 109.6 | S11 | M9-S11 PolarHBondContact O-N 3.02Š|
| 10 | S | 64.9 | Low | 66.7 | Low | 73 Ų | 73 | 126.3 Ų | 126.3 | 51% | 0.51 | 63% | 0.633 | S | S | . | * | | | trans | -54 | 139.6 | 167.2 | 53 | 0 | 0 | 0 | 0 | 108.8 | I12 | S10-I12 VanDerWaalsContact CB-O 3.32Å; S10-I12 WeakPolarHBondContact CB-O 3.27Å; S10-I12 PolarHBondContact O-N 2.83Å; S10-I12 PolarHBondContact OG-O 3.43Å |
| 11 | S | 68.6 | Low | 67.4 | Low | 68 Ų | 68 | 130.2 Ų | 130.2 | 48% | 0.476 | 65% | 0.65 | S | S | . | * | S | Bend | trans | -61.1 | -16.2 | 178.2 | 64.2 | 0 | 0 | 0 | 0 | 112.4 | M9 K30 R31 | M9-S11 PolarHBondContact O-N 3.02Å; S11-K30 CarbonylContact O-C 3.5Å; S11-K30 VanDerWaalsContact O-CA 3.22Å; S11-K30 WeakPolarHBondContact O-CA 3.33Å; S11-R31 PolarHBondContact O-N 2.76Å |
| 12 | I | 74.6 | Confident | 69.3 | Low | 80 Ų | 80 | 124 Ų | 124 | 41% | 0.41 | 64% | 0.639 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -121.7 | 126 | 176 | -62.2 | 163.4 | 0 | 0 | 0 | 107.3 | S10 L29 K30 | S10-I12 VanDerWaalsContact CB-O 3.32Å; S10-I12 WeakPolarHBondContact CB-O 3.27Å; S10-I12 PolarHBondContact O-N 2.83Å; S10-I12 PolarHBondContact OG-O 3.43Å; I12-L29 CarbonylContact C-O 3.42Å; I12-L29 VanDerWaalsContact CA-O 3.3Å; I12-L29 WeakPolarHBondContact CA-O 3.39Å; I12-K30 HydrophobicContact CD1-CD 4.07Å; I12-K30 HydrophobicContact CD1-CG 4.43Å; I12-K30 HydrophobicContact CG1-CB 4Å; I12-K30 HydrophobicContact CG1-CD 3.79Å; I12-K30 HydrophobicContact CG1-CG 3.61Å |
| 13 | Q | 81.4 | Confident | 70.6 | Confident | 74 Ų | 74 | 116.5 Ų | 116.5 | 35% | 0.346 | 61% | 0.614 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -110 | 128.4 | 170.7 | -64.3 | 178 | -6.9 | 0 | 0 | 107.9 | T28 L29 | Q13-T28 CarbonylContact O-C 3.49Å; Q13-T28 WeakPolarHBondContact O-CA 3.32Å; Q13-T28 VanDerWaalsContact O-CA 3.31Å; Q13-L29 HydrophobicContact CB-CB 4.35Å; Q13-L29 PolarHBondContact N-O 2.81Å; Q13-L29 PolarHBondContact O-N 2.71Å |
| 14 | D | 81.9 | Confident | 72.1 | Confident | 113 Ų | 113 | 112.9 Ų | 112.9 | 60% | 0.604 | 60% | 0.598 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -95.7 | 125.2 | 173.9 | -168.2 | -22 | 0 | 0 | 0 | 108.4 | G16 T28 | D14-G16 PolarHBondContact OD1-N 2.86Å; D14-T28 HydrophobicContact CB-CG2 4.37Å |
| 15 | W | 81.6 | Confident | 73.5 | Confident | 176 Ų | 176 | 112.1 Ų | 112.1 | 67% | 0.667 | 59% | 0.586 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -101.8 | -4.2 | -178.4 | -67.9 | 71.2 | 0 | 0 | 0 | 112 | V27 | W15-V27 HydrophobicContact CB-CB 4.15Å; W15-V27 HydrophobicContact CB-CG1 4.03Å; W15-V27 PolarHBondContact N-O 3.04Å |
| 16 | G | 82.8 | Confident | 75.4 | Confident | 30 Ų | 30 | 108.2 Ų | 108.2 | 31% | 0.309 | 58% | 0.576 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | 105.5 | -169.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | D14 V27 | D14-G16 PolarHBondContact OD1-N 2.86Å; G16-V27 PolarHBondContact O-N 2.77Å |
| 17 | E | 84.1 | Confident | 76.9 | Confident | 125 Ų | 125 | 103.9 Ų | 103.9 | 58% | 0.584 | 56% | 0.559 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -105.1 | 129.7 | -179 | -74 | 169.1 | -162.9 | 0 | 0 | 110.3 | V24 Y25 H26 | E17-V24 HydrophobicContact CB-CG1 4Å; E17-V24 HydrophobicContact CG-CG1 4Å; E17-Y25 CarbonylContact C-O 3.48Å; E17-Y25 WeakPolarHBondContact CA-O 3.31Å; E17-H26 IonicContact OE1-NE2 3.78Å; E17-H26 PolarHBondContact OE1-ND1 3.12Å; E17-H26 IonicContact OE1-ND1 3.43Å; E17-H26 PolarHBondContact OE1-CE1 2.98Å; E17-H26 WeakPolarHBondContact CG-ND1 3.3Å; E17-H26 IonicContact OE1-CE1 2.83Å; E17-H26 WeakPolarHBondContact CG-CE1 3.22Å; E17-H26 VanDerWaalsContact CG-ND1 3.27Å |
| 18 | E | 80.1 | Confident | 78.6 | Confident | 116 Ų | 116 | 103.8 Ų | 103.8 | 54% | 0.542 | 55% | 0.55 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 128 | 170.5 | -63.5 | -175.5 | 168 | 0 | 0 | 108.6 | Y25 V27 | E18-Y25 PolarHBondContact N-O 3.48Å; E18-Y25 PolarHBondContact O-N 2.77Å; E18-V27 HydrophobicContact CG-CG2 4.36Å |
| 19 | V | 80.1 | Confident | 79.9 | Confident | 102 Ų | 102 | 100.6 Ų | 100.6 | 62% | 0.618 | 54% | 0.54 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 115 | 178.6 | -175.9 | 0 | 0 | 0 | 0 | 109 | A23 V24 | V19-A23 WeakPolarHBondContact CA-O 3.21Å; V19-V24 HydrophobicContact CG2-CG1 4.27Å; V19-V24 HydrophobicContact CG2-CG2 4.11Å |
| 20 | E | 82.4 | Confident | 81.1 | Confident | 130 Ų | 130 | 100.5 Ų | 100.5 | 61% | 0.607 | 54% | 0.536 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 133.8 | 174.4 | -69.2 | -167 | 150.1 | 0 | 0 | 110 | G22 A23 Y25 | E20-G22 PolarHBondContact O-N 2.96Å; E20-A23 PolarHBondContact N-O 3.26Å; E20-A23 PolarHBondContact O-N 2.87Å; E20-Y25 HydrophobicContact CB-CE2 4.26Å |
| 21 | E | 82.4 | Confident | 81.8 | Confident | 210 Ų | 210 | 106 Ų | 106 | 98% | 0.981 | 55% | 0.546 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.4 | 35.5 | 173.7 | -59.9 | -170.1 | 164.1 | 0 | 0 | 115.4 | A23 | E21-A23 VanDerWaalsContact C-N 3.33Š|
| 22 | G | 87.8 | Confident | 82.2 | Confident | 81 Ų | 81 | 107.5 Ų | 107.5 | 84% | 0.835 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 83.8 | 3.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115 | E20 | E20-G22 PolarHBondContact O-N 2.96Š|
| 23 | A | 79.9 | Confident | 82 | Confident | 35 Ų | 35 | 112 Ų | 112 | 29% | 0.289 | 57% | 0.571 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -101.8 | 144.2 | 169 | 0 | 0 | 0 | 0 | 0 | 110.7 | V19 E20 E21 Y25 | V19-A23 WeakPolarHBondContact CA-O 3.21Å; E20-A23 PolarHBondContact N-O 3.26Å; E20-A23 PolarHBondContact O-N 2.87Å; E21-A23 VanDerWaalsContact C-N 3.33Å; A23-Y25 HydrophobicContact CB-CE2 3.79Å |
| 24 | V | 87.3 | Confident | 81.5 | Confident | 78 Ų | 78 | 115.4 Ų | 115.4 | 47% | 0.473 | 59% | 0.59 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -109.9 | 120.3 | 173.5 | -173.3 | 0 | 0 | 0 | 0 | 107.9 | E17 V19 | E17-V24 HydrophobicContact CB-CG1 4Å; E17-V24 HydrophobicContact CG-CG1 4Å; V19-V24 HydrophobicContact CG2-CG1 4.27Å; V19-V24 HydrophobicContact CG2-CG2 4.11Å |
| 25 | Y | 82.7 | Confident | 80.9 | Confident | 128 Ų | 128 | 118.9 Ų | 118.9 | 50% | 0.502 | 60% | 0.603 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -105.5 | 128.1 | 178.8 | -61.1 | -80.3 | 0 | 0 | 0 | 109.7 | E17 E18 E20 A23 | E17-Y25 CarbonylContact C-O 3.48Å; E17-Y25 WeakPolarHBondContact CA-O 3.31Å; E18-Y25 PolarHBondContact N-O 3.48Å; E18-Y25 PolarHBondContact O-N 2.77Å; E20-Y25 HydrophobicContact CB-CE2 4.26Å; A23-Y25 HydrophobicContact CB-CE2 3.79Å |
| 26 | H | 85.2 | Confident | 79.8 | Confident | 123 Ų | 123 | 118.7 Ų | 118.7 | 57% | 0.569 | 61% | 0.609 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -97.8 | 122.8 | 172.1 | -67 | -97.8 | 0 | 0 | 0 | 110 | E17 | E17-H26 IonicContact OE1-NE2 3.78Å; E17-H26 PolarHBondContact OE1-ND1 3.12Å; E17-H26 IonicContact OE1-ND1 3.43Å; E17-H26 PolarHBondContact OE1-CE1 2.98Å; E17-H26 WeakPolarHBondContact CG-ND1 3.3Å; E17-H26 IonicContact OE1-CE1 2.83Å; E17-H26 WeakPolarHBondContact CG-CE1 3.22Å; E17-H26 VanDerWaalsContact CG-ND1 3.27Å |
| 27 | V | 84.2 | Confident | 78.6 | Confident | 57 Ų | 57 | 121 Ų | 121 | 35% | 0.345 | 63% | 0.625 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -102.6 | 113.3 | -178.8 | -175.7 | 0 | 0 | 0 | 0 | 109.4 | W15 G16 E18 | W15-V27 HydrophobicContact CB-CB 4.15Å; W15-V27 HydrophobicContact CB-CG1 4.03Å; W15-V27 PolarHBondContact N-O 3.04Å; G16-V27 PolarHBondContact O-N 2.77Å; E18-V27 HydrophobicContact CG-CG2 4.36Å |
| 28 | T | 85.4 | Confident | 77.2 | Confident | 84 Ų | 84 | 118.9 Ų | 118.9 | 52% | 0.515 | 63% | 0.629 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -129.3 | 136.6 | 176.5 | 63.6 | 0 | 0 | 0 | 0 | 111.4 | Q13 D14 | Q13-T28 CarbonylContact O-C 3.49Å; Q13-T28 WeakPolarHBondContact O-CA 3.32Å; Q13-T28 VanDerWaalsContact O-CA 3.31Å; D14-T28 HydrophobicContact CB-CG2 4.37Å |
| 29 | L | 81.4 | Confident | 75.9 | Confident | 98 Ų | 98 | 119 Ų | 119 | 51% | 0.513 | 63% | 0.634 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -107.1 | 118.9 | 177.7 | -178.5 | 70.8 | 0 | 0 | 0 | 109.6 | I12 Q13 | I12-L29 CarbonylContact C-O 3.42Å; I12-L29 VanDerWaalsContact CA-O 3.3Å; I12-L29 WeakPolarHBondContact CA-O 3.39Å; Q13-L29 HydrophobicContact CB-CB 4.35Å; Q13-L29 PolarHBondContact N-O 2.81Å; Q13-L29 PolarHBondContact O-N 2.71Å |
| 30 | K | 84.5 | Confident | 74.7 | Confident | 130 Ų | 130 | 123.2 Ų | 123.2 | 57% | 0.565 | 64% | 0.643 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -113.7 | 120.7 | 178.2 | -174.2 | 174 | -177.2 | -180 | 0 | 112.7 | S11 I12 V32 | S11-K30 CarbonylContact O-C 3.5Å; S11-K30 VanDerWaalsContact O-CA 3.22Å; S11-K30 WeakPolarHBondContact O-CA 3.33Å; I12-K30 HydrophobicContact CD1-CD 4.07Å; I12-K30 HydrophobicContact CD1-CG 4.43Å; I12-K30 HydrophobicContact CG1-CB 4Å; I12-K30 HydrophobicContact CG1-CD 3.79Å; I12-K30 HydrophobicContact CG1-CG 3.61Å; K30-V32 HydrophobicContact CD-CG2 4.18Å; K30-V32 HydrophobicContact CG-CG2 4Å; K30-V32 PolarHBondContact O-N 2.6Å |
| 31 | R | 78.6 | Confident | 73.3 | Confident | 189 Ų | 189 | 119.6 Ų | 119.6 | 71% | 0.713 | 64% | 0.642 | S | S | * | * | | | trans | -76.8 | 114.5 | 166.1 | -172.9 | -179.9 | -176.4 | -172.3 | 1.8 | 109.6 | S11 | S11-R31 PolarHBondContact O-N 2.76Š|
| 32 | V | 77.3 | Confident | 72.1 | Confident | 98 Ų | 98 | 112.4 Ų | 112.4 | 59% | 0.594 | 62% | 0.618 | S | S | * | * | | | trans | -108 | 130.7 | 172.9 | -178.2 | 0 | 0 | 0 | 0 | 109.1 | K30 I34 | K30-V32 HydrophobicContact CD-CG2 4.18Å; K30-V32 HydrophobicContact CG-CG2 4Å; K30-V32 PolarHBondContact O-N 2.6Å; V32-I34 PolarHBondContact O-N 3.02Å |
| 33 | Q | 71.6 | Confident | 70.6 | Confident | 174 Ų | 174 | 119.7 Ų | 119.7 | 81% | 0.813 | 62% | 0.62 | S | S | * | * | | | trans | -74.4 | 113.4 | 167.8 | -72.9 | -176.1 | -41.2 | 0 | 0 | 108.4 | Q35 | Q33-Q35 PolarHBondContact O-N 3.45Š|
| 34 | I | 71.1 | Confident | 69.7 | Low | 147 Ų | 147 | 128.1 Ų | 128.1 | 75% | 0.754 | 65% | 0.645 | S | S | * | * | | | trans | -81.2 | 104.9 | 173.6 | -57.7 | 176.3 | 0 | 0 | 0 | 107 | V32 Q36 | V32-I34 PolarHBondContact O-N 3.02Å; I34-Q36 PolarHBondContact O-N 2.88Å |
| 35 | Q | 67.7 | Low | 68.4 | Low | 185 Ų | 185 | 129 Ų | 129 | 86% | 0.864 | 65% | 0.646 | S | S | * | * | | | trans | -70.1 | 108.3 | 160.5 | -68.8 | -170.4 | -8.8 | 0 | 0 | 106.2 | Q33 A37 | Q33-Q35 PolarHBondContact O-N 3.45Å; Q35-A37 PolarHBondContact O-N 3.01Å |
| 36 | Q | 59.9 | Low | 67.2 | Low | 173 Ų | 173 | 126.1 Ų | 126.1 | 81% | 0.808 | 66% | 0.655 | S | S | * | * | | | trans | -63 | 87.3 | 169.2 | -76.2 | -153.7 | 0.9 | 0 | 0 | 108.3 | I34 A38 | I34-Q36 PolarHBondContact O-N 2.88Å; Q36-A38 VanDerWaalsContact C-N 3.3Å; Q36-A38 PolarHBondContact O-N 3.27Å |
| 37 | A | 56.5 | Low | 66.1 | Low | 77 Ų | 77 | 125 Ų | 125 | 64% | 0.636 | 65% | 0.653 | S | S | * | * | | | trans | -64.2 | 104 | 155 | 0 | 0 | 0 | 0 | 0 | 105.1 | Q35 N39 K40 | Q35-A37 PolarHBondContact O-N 3.01Å; A37-N39 PolarHBondContact O-N 3.44Å; A37-N39 VanDerWaalsContact O-N 3.08Å; A37-K40 PolarHBondContact O-N 3.34Å |
| 38 | A | 55.5 | Low | 64.8 | Low | 81 Ų | 81 | 126.2 Ų | 126.2 | 67% | 0.669 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -19.6 | 108.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q36 K40 | Q36-A38 VanDerWaalsContact C-N 3.3Å; Q36-A38 PolarHBondContact O-N 3.27Å; A38-K40 VanDerWaalsContact C-N 3.34Å; A38-K40 PolarHBondContact O-N 3.06Å |
| 39 | N | 52.6 | Low | 63.6 | Low | 120 Ų | 120 | 126.6 Ų | 126.6 | 64% | 0.642 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 60.3 | 13.6 | 164.1 | -72.3 | -33.6 | 0 | 0 | 0 | 120.2 | A37 N52 | A37-N39 PolarHBondContact O-N 3.44Å; A37-N39 VanDerWaalsContact O-N 3.08Å; N39-N52 PolarHBondContact OD1-ND2 3.17Å |
| 40 | K | 55.4 | Low | 62.5 | Low | 189 Ų | 189 | 133.6 Ų | 133.6 | 82% | 0.822 | 69% | 0.694 | S | S | * | * | | | trans | -108.2 | -2.4 | 177.5 | -63.6 | -171.3 | -176.2 | -179.3 | 0 | 115.9 | A37 A38 | A37-K40 PolarHBondContact O-N 3.34Å; A38-K40 VanDerWaalsContact C-N 3.34Å; A38-K40 PolarHBondContact O-N 3.06Å |
| 41 | G | 52.5 | Low | 61.4 | Low | 55 Ų | 55 | 133.4 Ų | 133.4 | 57% | 0.567 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -94.9 | -11.5 | -167.7 | 0 | 0 | 0 | 0 | 0 | 117.8 | W44 | G41-W44 PolarHBondContact O-NE1 3.39Š|
| 42 | A | 56.5 | Low | 60 | Low | 58 Ų | 58 | 129 Ų | 129 | 48% | 0.479 | 69% | 0.688 | S | S | . | * | | | trans | -94.7 | -2.2 | -171.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | W44 L45 | A42-W44 VanDerWaalsContact C-N 3.3Å; A42-W44 PolarHBondContact O-N 3.08Å; A42-L45 VanDerWaalsContact O-N 3.12Å; A42-L45 PolarHBondContact O-N 2.75Å |
| 43 | R | 56.8 | Low | 59 | Low | 235 Ų | 235 | 133.3 Ų | 133.3 | 89% | 0.887 | 72% | 0.719 | S | S | * | * | G | 310 helix | trans | -67.3 | -25 | -170.1 | -173 | 166 | 173.3 | 166.2 | -2.9 | 114.5 | L45 | R43-L45 VanDerWaalsContact C-N 3.27Å; R43-L45 PolarHBondContact O-N 3.32Å |
| 44 | W | 59.8 | Low | 58.4 | Low | 212 Ų | 212 | 131.3 Ų | 131.3 | 80% | 0.803 | 71% | 0.714 | S | S | * | * | G | 310 helix | trans | -76 | -14.5 | 176.9 | 66 | -72.4 | 0 | 0 | 0 | 113.4 | G41 A42 G46 | G41-W44 PolarHBondContact O-NE1 3.39Å; A42-W44 VanDerWaalsContact C-N 3.3Å; A42-W44 PolarHBondContact O-N 3.08Å; W44-G46 VanDerWaalsContact C-N 3.33Å |
| 45 | L | 61.6 | Low | 57.7 | Low | 95 Ų | 95 | 130.5 Ų | 130.5 | 50% | 0.497 | 71% | 0.712 | S | S | . | * | G | 310 helix | trans | -87.7 | 1.5 | 178.7 | -64.2 | 172.5 | 0 | 0 | 0 | 113.2 | A42 R43 L47 | A42-L45 VanDerWaalsContact O-N 3.12Å; A42-L45 PolarHBondContact O-N 2.75Å; R43-L45 VanDerWaalsContact C-N 3.27Å; R43-L45 PolarHBondContact O-N 3.32Å; L45-L47 HydrophobicContact CB-CD1 4.24Å; L45-L47 HydrophobicContact CB-CG 4.01Å; L45-L47 PolarHBondContact O-N 2.84Å |
| 46 | G | 57.9 | Low | 57.2 | Low | 68 Ų | 68 | 127.4 Ų | 127.4 | 70% | 0.701 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 60.7 | 13.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | W44 | W44-G46 VanDerWaalsContact C-N 3.33Š|
| 47 | L | 61.1 | Low | 57 | Low | 99 Ų | 99 | 124.8 Ų | 124.8 | 52% | 0.518 | 70% | 0.697 | S | S | . | * | | | trans | -68.8 | 136.5 | -175.9 | -64 | 176.3 | 0 | 0 | 0 | 110.4 | L45 | L45-L47 HydrophobicContact CB-CD1 4.24Å; L45-L47 HydrophobicContact CB-CG 4.01Å; L45-L47 PolarHBondContact O-N 2.84Å |
| 48 | P | 56.8 | Low | 57.1 | Low | 84 Ų | 84 | 127.8 Ų | 127.8 | 55% | 0.545 | 70% | 0.701 | S | S | . | * | | | trans | -62.8 | 141 | 179.3 | 24.7 | -32.1 | 0 | 0 | 0 | 110.6 | W50 L51 | P48-W50 PolarHBondContact O-N 3.48Å; P48-L51 PolarHBondContact O-N 3.01Å |
| 49 | A | 61.3 | Low | 57.2 | Low | 91 Ų | 91 | 130.9 Ų | 130.9 | 75% | 0.752 | 70% | 0.703 | S | S | * | * | G | 310 helix | trans | -57.2 | -13.2 | -172.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | L51 | A49-L51 VanDerWaalsContact C-N 3.35Š|
| 50 | W | 58 | Low | 57.5 | Low | 246 Ų | 246 | 131.6 Ų | 131.6 | 93% | 0.932 | 71% | 0.707 | S | S | * | * | G | 310 helix | trans | -84.9 | -3.4 | 177.8 | -54.3 | 108.6 | 0 | 0 | 0 | 114.2 | P48 N52 | P48-W50 PolarHBondContact O-N 3.48Å; W50-N52 VanDerWaalsContact C-N 3.32Å |
| 51 | L | 61.4 | Low | 57.7 | Low | 125 Ų | 125 | 127.2 Ų | 127.2 | 65% | 0.654 | 70% | 0.699 | S | S | * | * | G | 310 helix | trans | -93.3 | 15.3 | 177.8 | -142.1 | 109 | 0 | 0 | 0 | 113.3 | P48 A49 | P48-L51 PolarHBondContact O-N 3.01Å; A49-L51 VanDerWaalsContact C-N 3.35Å |
| 52 | N | 48 | Very low | 58.1 | Low | 97 Ų | 97 | 133.3 Ų | 133.3 | 52% | 0.519 | 71% | 0.71 | S | S | . | * | | | trans | -116 | 100.7 | 176.3 | -159.9 | 25.2 | 0 | 0 | 0 | 109.6 | N39 W50 | N39-N52 PolarHBondContact OD1-ND2 3.17Å; W50-N52 VanDerWaalsContact C-N 3.32Å |
| 53 | P | 57.8 | Low | 58.2 | Low | 189 Ų | 189 | 140.1 Ų | 140.1 | 100% | 1.227 | 73% | 0.731 | S | S | * | * | | | trans | -69.1 | 0 | 178.3 | 28.8 | -33.2 | 0 | 0 | 0 | 113.2 | | |