| 1 | M | 50.8 | Low | 63.6 | Low | 236 Ų | 236 | 149.4 Ų | 149.4 | 100% | 1.163 | 74% | 0.739 | S | S | * | * | | | | 0 | 106.8 | 0 | -68.4 | 173.5 | -173.6 | 0 | 0 | 106.6 | V3 | M1-V3 VanDerWaalsContact O-N 3.15Å; M1-V3 PolarHBondContact O-N 3.18Å |
| 2 | V | 57.7 | Low | 64.5 | Low | 143 Ų | 143 | 142.8 Ų | 142.8 | 87% | 0.867 | 72% | 0.715 | S | S | * | * | | | trans | -74.4 | 102.3 | 172.8 | 164.4 | 0 | 0 | 0 | 0 | 105.8 | | |
| 3 | V | 62.6 | Low | 64.9 | Low | 88 Ų | 88 | 146.7 Ų | 146.7 | 53% | 0.533 | 73% | 0.725 | S | S | . | * | | | trans | -54.5 | 133.4 | 166.5 | 174 | 0 | 0 | 0 | 0 | 106.2 | M1 E5 | M1-V3 VanDerWaalsContact O-N 3.15Å; M1-V3 PolarHBondContact O-N 3.18Å; V3-E5 PolarHBondContact O-N 3.28Å |
| 4 | P | 58.6 | Low | 65.1 | Low | 71 Ų | 71 | 146.1 Ų | 146.1 | 46% | 0.461 | 72% | 0.724 | S | S | . | * | | | trans | -57.6 | 117.5 | -178.7 | -15.5 | 27.7 | 0 | 0 | 0 | 107.5 | K6 E7 | P4-K6 PolarHBondContact O-N 3.45Å; P4-E7 WeakPolarHBondContact CD-OE2 3.47Å; P4-E7 WeakPolarHBondContact CG-OE2 3.19Å; P4-E7 PolarHBondContact O-N 2.97Å |
| 5 | E | 58.5 | Low | 65.2 | Low | 185 Ų | 185 | 147.1 Ų | 147.1 | 86% | 0.864 | 72% | 0.722 | S | S | * | * | G | 310 helix | trans | -51 | -25.1 | -176.7 | -146.9 | -178.8 | 104.3 | 0 | 0 | 112.2 | V3 E7 Q8 | V3-E5 PolarHBondContact O-N 3.28Å; E5-E7 PolarHBondContact O-N 3.15Å; E5-Q8 PolarHBondContact O-N 3.38Å |
| 6 | K | 60.8 | Low | 65.8 | Low | 193 Ų | 193 | 148.9 Ų | 148.9 | 84% | 0.839 | 73% | 0.725 | S | S | * | * | G | 310 helix | trans | -69.4 | -21.7 | 176.6 | -168.5 | 166 | 177.6 | 169.4 | 0 | 115.3 | P4 Q8 | P4-K6 PolarHBondContact O-N 3.45Å; K6-Q8 VanDerWaalsContact C-N 3.34Å |
| 7 | E | 61.2 | Low | 66.9 | Low | 152 Ų | 152 | 151.7 Ų | 151.7 | 71% | 0.71 | 73% | 0.733 | S | S | * | * | G | 310 helix | trans | -81.8 | -12.2 | 177.6 | -78.8 | -167.9 | 87.3 | 0 | 0 | 113.6 | P4 E5 | P4-E7 WeakPolarHBondContact CD-OE2 3.47Å; P4-E7 WeakPolarHBondContact CG-OE2 3.19Å; P4-E7 PolarHBondContact O-N 2.97Å; E5-E7 PolarHBondContact O-N 3.15Å |
| 8 | Q | 62.6 | Low | 68 | Low | 140 Ų | 140 | 155.1 Ų | 155.1 | 65% | 0.654 | 74% | 0.744 | S | S | * | * | G | 310 helix | trans | -112.6 | 31.4 | -175.3 | -150.3 | 159.6 | 20.5 | 0 | 0 | 112.2 | E5 K6 W10 | E5-Q8 PolarHBondContact O-N 3.38Å; K6-Q8 VanDerWaalsContact C-N 3.34Å; Q8-W10 PolarHBondContact O-N 3.48Å |
| 9 | S | 74 | Confident | 69 | Low | 71 Ų | 71 | 153.1 Ų | 153.1 | 50% | 0.497 | 74% | 0.742 | S | S | . | * | | | trans | -67.7 | 128.1 | 170.7 | -173.8 | 0 | 0 | 0 | 0 | 109.9 | I11 | S9-I11 PolarHBondContact OG-N 3.1Å; S9-I11 WeakPolarHBondContact OG-CG1 3.48Å; S9-I11 PolarHBondContact O-N 3.41Å |
| 10 | W | 74.1 | Confident | 70 | Confident | 247 Ų | 247 | 151.4 Ų | 151.4 | 94% | 0.936 | 75% | 0.745 | S | S | * | * | | | trans | -74 | -4.2 | 175 | -71.4 | 50.8 | 0 | 0 | 0 | 112.4 | Q8 P12 | Q8-W10 PolarHBondContact O-N 3.48Å; W10-P12 WeakPolarHBondContact O-CD 3.4Å |
| 11 | I | 79.3 | Confident | 70.9 | Confident | 117 Ų | 117 | 150.2 Ų | 150.2 | 60% | 0.6 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -66.7 | 116.6 | 174.3 | -60.7 | 173 | 0 | 0 | 0 | 107.5 | S9 K13 F15 | S9-I11 PolarHBondContact OG-N 3.1Å; S9-I11 WeakPolarHBondContact OG-CG1 3.48Å; S9-I11 PolarHBondContact O-N 3.41Å; I11-K13 PolarHBondContact O-N 2.74Å; I11-F15 HydrophobicContact CG2-CD2 3.95Å |
| 12 | P | 73.8 | Confident | 72.8 | Confident | 70 Ų | 70 | 143.9 Ų | 143.9 | 46% | 0.455 | 72% | 0.722 | S | S | . | * | | | trans | -55.7 | 127.1 | 177.6 | -23.4 | 32.6 | 0 | 0 | 0 | 110.2 | W10 I14 F15 | W10-P12 WeakPolarHBondContact O-CD 3.4Å; P12-I14 HydrophobicContact CB-CB 4.11Å; P12-I14 HydrophobicContact CB-CG2 3.72Å; P12-I14 PolarHBondContact O-N 2.87Å; P12-F15 VanDerWaalsContact O-N 3.1Å; P12-F15 PolarHBondContact O-N 2.83Å; P12-F15 WeakPolarHBondContact O-CD2 3.45Å; P12-F15 HydrophobicContact CG-CE2 4.1Å; P12-F15 HydrophobicContact CB-CE2 4.43Å; P12-F15 HydrophobicContact CB-CD2 4.27Å; P12-F15 HydrophobicContact CG-CD2 4.39Å |
| 13 | K | 69.8 | Low | 74 | Confident | 194 Ų | 194 | 146.5 Ų | 146.5 | 84% | 0.843 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.3 | -4.3 | 168.8 | -61.6 | 179.6 | -176.8 | 176.7 | 0 | 112.7 | I11 F15 | I11-K13 PolarHBondContact O-N 2.74Å; K13-F15 PolarHBondContact O-N 2.86Å |
| 14 | I | 68.2 | Low | 75.2 | Confident | 138 Ų | 138 | 149.7 Ų | 149.7 | 71% | 0.708 | 73% | 0.734 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.1 | -21.4 | 173.7 | -138.9 | 166.3 | 0 | 0 | 0 | 112.9 | P12 K16 | P12-I14 HydrophobicContact CB-CB 4.11Å; P12-I14 HydrophobicContact CB-CG2 3.72Å; P12-I14 PolarHBondContact O-N 2.87Å; I14-K16 PolarHBondContact O-N 3.47Å |
| 15 | F | 66.7 | Low | 76.3 | Confident | 161 Ų | 161 | 152.5 Ų | 152.5 | 71% | 0.706 | 75% | 0.75 | S | S | * | * | | | trans | -70.4 | 72.4 | 170.7 | -71.8 | -71.1 | 0 | 0 | 0 | 109.4 | I11 P12 K13 | I11-F15 HydrophobicContact CG2-CD2 3.95Å; P12-F15 VanDerWaalsContact O-N 3.1Å; P12-F15 PolarHBondContact O-N 2.83Å; P12-F15 WeakPolarHBondContact O-CD2 3.45Å; P12-F15 HydrophobicContact CG-CE2 4.1Å; P12-F15 HydrophobicContact CB-CE2 4.43Å; P12-F15 HydrophobicContact CB-CD2 4.27Å; P12-F15 HydrophobicContact CG-CD2 4.39Å; K13-F15 PolarHBondContact O-N 2.86Å |
| 16 | K | 74.8 | Confident | 77.2 | Confident | 177 Ų | 177 | 148.2 Ų | 148.2 | 77% | 0.77 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -82.8 | 139.5 | 172.7 | -65 | -176.5 | -179.9 | 179.4 | 0 | 108.4 | I14 K18 | I14-K16 PolarHBondContact O-N 3.47Å; K16-K18 PolarHBondContact O-N 3.41Å |
| 17 | K | 84.8 | Confident | 77.7 | Confident | 196 Ų | 196 | 144.9 Ų | 144.9 | 85% | 0.852 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -59 | 138.8 | 170.9 | -69.8 | -177.5 | 178.1 | -179.1 | 0 | 108.8 | T19 | K17-T19 PolarHBondContact O-N 3.49Š|
| 18 | K | 86.2 | Confident | 78.3 | Confident | 213 Ų | 213 | 143 Ų | 143 | 93% | 0.926 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 126.8 | 168.7 | -67.3 | -173.9 | 179.2 | -173.3 | 0 | 107.8 | K16 | K16-K18 PolarHBondContact O-N 3.41Š|
| 19 | T | 86.8 | Confident | 78.6 | Confident | 116 Ų | 116 | 142.2 Ų | 142.2 | 71% | 0.712 | 73% | 0.733 | S | S | * | * | | | trans | -107.3 | 125 | 174.6 | -62.5 | 0 | 0 | 0 | 0 | 107.8 | K17 T21 | K17-T19 PolarHBondContact O-N 3.49Å; T19-T21 PolarHBondContact O-N 3.32Å |
| 20 | C | 88.7 | Confident | 78.1 | Confident | 119 Ų | 119 | 144.4 Ų | 144.4 | 80% | 0.804 | 75% | 0.745 | S | S | * | * | | | trans | -65 | 123.9 | 171.4 | -57.7 | 0 | 0 | 0 | 0 | 108.7 | | |
| 21 | T | 89.9 | Confident | 77.5 | Confident | 128 Ų | 128 | 139.3 Ų | 139.3 | 79% | 0.785 | 77% | 0.77 | S | S | * | * | | | trans | -100.6 | -15.4 | -178.2 | 53.3 | 0 | 0 | 0 | 0 | 113 | T19 | T19-T21 PolarHBondContact O-N 3.32Š|
| 22 | T | 89.7 | Confident | 77.4 | Confident | 103 Ų | 103 | 140.5 Ų | 140.5 | 63% | 0.632 | 78% | 0.778 | S | S | * | * | | | trans | -142.8 | 130.8 | -171.6 | -52.1 | 0 | 0 | 0 | 0 | 108.7 | | |
| 23 | F | 83.6 | Confident | 77.6 | Confident | 198 Ų | 198 | 144.2 Ų | 144.2 | 87% | 0.868 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -86.3 | 124.6 | 170.5 | -65.1 | -87.9 | 0 | 0 | 0 | 107.8 | | |
| 24 | I | 87.1 | Confident | 78 | Confident | 154 Ų | 154 | 141.4 Ų | 141.4 | 79% | 0.79 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -96.2 | 122.1 | 172.6 | -57.8 | -179.4 | 0 | 0 | 0 | 105.8 | D26 | I24-D26 PolarHBondContact O-N 3.14Š|
| 25 | V | 81.9 | Confident | 78.6 | Confident | 131 Ų | 131 | 141.6 Ų | 141.6 | 79% | 0.794 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 120.9 | 168.9 | 178.4 | 0 | 0 | 0 | 0 | 106.3 | S27 | V25-S27 PolarHBondContact O-N 3.33Š|
| 26 | D | 78.1 | Confident | 79.3 | Confident | 95 Ų | 95 | 140.4 Ų | 140.4 | 51% | 0.508 | 80% | 0.804 | S | S | . | * | P | Polyproline II helix | trans | -65.6 | 117.7 | 177.8 | -171.9 | -81.6 | 0 | 0 | 0 | 108.7 | I24 T28 D29 | I24-D26 PolarHBondContact O-N 3.14Å; D26-T28 VanDerWaalsContact O-N 3.14Å; D26-T28 PolarHBondContact OD1-OG1 3.28Å; D26-T28 PolarHBondContact OD1-N 3.42Å; D26-T28 WeakPolarHBondContact OD1-CB 3.28Å; D26-T28 VanDerWaalsContact OD1-CB 3.27Å; D26-T28 WeakPolarHBondContact OD1-CA 3.27Å; D26-T28 VanDerWaalsContact OD1-CA 3.28Å; D26-T28 PolarHBondContact O-N 2.51Å; D26-D29 WeakPolarHBondContact O-CB 3.44Å; D26-D29 PolarHBondContact O-N 2.84Å; D26-D29 PolarHBondContact OD1-N 3.2Å |
| 27 | S | 70.6 | Confident | 79.6 | Confident | 123 Ų | 123 | 137.9 Ų | 137.9 | 86% | 0.86 | 81% | 0.806 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.5 | -2.6 | -177.3 | 56.8 | 0 | 0 | 0 | 0 | 113.4 | V25 | V25-S27 PolarHBondContact O-N 3.33Š|
| 28 | T | 74.3 | Confident | 79.3 | Confident | 112 Ų | 112 | 133.8 Ų | 133.8 | 69% | 0.687 | 80% | 0.803 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.5 | -1.6 | 174.9 | 73.2 | 0 | 0 | 0 | 0 | 113 | D26 P30 | D26-T28 VanDerWaalsContact O-N 3.14Å; D26-T28 PolarHBondContact OD1-OG1 3.28Å; D26-T28 PolarHBondContact OD1-N 3.42Å; D26-T28 WeakPolarHBondContact OD1-CB 3.28Å; D26-T28 VanDerWaalsContact OD1-CB 3.27Å; D26-T28 WeakPolarHBondContact OD1-CA 3.27Å; D26-T28 VanDerWaalsContact OD1-CA 3.28Å; D26-T28 PolarHBondContact O-N 2.51Å; T28-P30 WeakPolarHBondContact O-CD 3.12Å |
| 29 | D | 67.9 | Low | 78.7 | Confident | 124 Ų | 124 | 127.7 Ų | 127.7 | 66% | 0.663 | 79% | 0.793 | S | S | * | * | | | trans | -68.2 | 107.4 | 172.6 | -167.8 | -119.7 | 0 | 0 | 0 | 109.9 | D26 G31 | D26-D29 WeakPolarHBondContact O-CB 3.44Å; D26-D29 PolarHBondContact O-N 2.84Å; D26-D29 PolarHBondContact OD1-N 3.2Å; D29-G31 PolarHBondContact O-N 3.19Å |
| 30 | P | 64.1 | Low | 78.1 | Confident | 116 Ų | 116 | 128.7 Ų | 128.7 | 75% | 0.753 | 80% | 0.8 | S | S | * | * | | | trans | -85.9 | 98.5 | 176.5 | 29.8 | -16.1 | 0 | 0 | 0 | 107 | T28 | T28-P30 WeakPolarHBondContact O-CD 3.12Š|
| 31 | G | 61.2 | Low | 77.1 | Confident | 141 Ų | 141 | 129.5 Ų | 129.5 | 100% | 1.454 | 80% | 0.8 | S | S | * | * | | | trans | -57.7 | 0 | 170.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | D29 | D29-G31 PolarHBondContact O-N 3.19Š|