| 1 | M | 50.7 | Low | 62.7 | Low | 242 Ų | 242 | 143.8 Ų | 143.8 | 100% | 1.192 | 76% | 0.755 | S | S | * | * | | | | 0 | 85.9 | 0 | -60.2 | -59.7 | -161.8 | 0 | 0 | 106.8 | E3 | M1-E3 PolarHBondContact O-N 3.43Š|
| 2 | S | 55.5 | Low | 62.5 | Low | 123 Ų | 123 | 140.5 Ų | 140.5 | 86% | 0.86 | 74% | 0.738 | S | S | * | * | | | trans | -57.4 | 129.6 | -165.9 | -70.7 | 0 | 0 | 0 | 0 | 113 | | |
| 3 | E | 59.2 | Low | 62.6 | Low | 174 Ų | 174 | 135.8 Ų | 135.8 | 81% | 0.813 | 71% | 0.713 | S | S | * | * | | | trans | 37.5 | 100.5 | 137.6 | -140.1 | 124.1 | 88.4 | 0 | 0 | 115.9 | M1 K5 | M1-E3 PolarHBondContact O-N 3.43Å; E3-K5 PolarHBondContact O-N 2.95Å |
| 4 | K | 64.5 | Low | 62.6 | Low | 198 Ų | 198 | 137.8 Ų | 137.8 | 86% | 0.861 | 72% | 0.717 | S | S | * | * | | | trans | -55.4 | 107.4 | 163.9 | -51.3 | 176.9 | 179 | 73.8 | 0 | 105.7 | Q6 | K4-Q6 VanDerWaalsContact O-N 3.08Å; K4-Q6 PolarHBondContact O-N 3.08Å |
| 5 | K | 63.8 | Low | 62.6 | Low | 200 Ų | 200 | 139.3 Ų | 139.3 | 87% | 0.87 | 72% | 0.719 | S | S | * | * | | | trans | -47.2 | 121.4 | 175.6 | -67.5 | -167.5 | 170.4 | 92.9 | 0 | 107.1 | E3 | E3-K5 PolarHBondContact O-N 2.95Š|
| 6 | Q | 66.9 | Low | 62.8 | Low | 169 Ų | 169 | 140.3 Ų | 140.3 | 79% | 0.79 | 73% | 0.725 | S | S | * | * | | | trans | -53.7 | 145.2 | 179 | -66.9 | -156.9 | -73.2 | 0 | 0 | 108.8 | K4 V8 | K4-Q6 VanDerWaalsContact O-N 3.08Å; K4-Q6 PolarHBondContact O-N 3.08Å; Q6-V8 PolarHBondContact O-N 2.91Å |
| 7 | P | 65.7 | Low | 63.1 | Low | 123 Ų | 123 | 137.4 Ų | 137.4 | 80% | 0.799 | 71% | 0.711 | S | S | * | * | | | trans | -55.9 | 113.5 | 173.9 | 25 | -32 | 0 | 0 | 0 | 106.4 | D9 | P7-D9 PolarHBondContact O-N 3.05Š|
| 8 | V | 68.6 | Low | 63.3 | Low | 98 Ų | 98 | 140 Ų | 140 | 59% | 0.594 | 72% | 0.72 | S | S | * | * | | | trans | -61.7 | 112.5 | 176.1 | 179.8 | 0 | 0 | 0 | 0 | 105 | Q6 L10 L13 | Q6-V8 PolarHBondContact O-N 2.91Å; V8-L10 PolarHBondContact O-N 3.02Å; V8-L13 HydrophobicContact CG1-CD1 3.8Å; V8-L13 HydrophobicContact CG1-CD2 4.05Å; V8-L13 HydrophobicContact CG1-CG 4.06Å |
| 9 | D | 69.7 | Low | 63.6 | Low | 100 Ų | 100 | 140.3 Ų | 140.3 | 54% | 0.535 | 72% | 0.716 | S | S | . | * | | | trans | -71.1 | 102 | -179.4 | -170.5 | 10.3 | 0 | 0 | 0 | 107.7 | P7 G11 L12 L13 | P7-D9 PolarHBondContact O-N 3.05Å; D9-G11 PolarHBondContact O-N 3.45Å; D9-L12 HydrophobicContact CB-CD1 3.95Å; D9-L12 PolarHBondContact O-N 3.35Å; D9-L12 WeakPolarHBondContact O-CB 3.47Å; D9-L12 HydrophobicContact CB-CG 4.02Å; D9-L12 HydrophobicContact CB-CB 4.44Å; D9-L13 PolarHBondContact O-N 3.19Å |
| 10 | L | 62.9 | Low | 64 | Low | 119 Ų | 119 | 142 Ų | 142 | 62% | 0.623 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.6 | -18.3 | -173.5 | -57.1 | 177.3 | 0 | 0 | 0 | 112.1 | V8 L12 L13 | V8-L10 PolarHBondContact O-N 3.02Å; L10-L12 VanDerWaalsContact C-N 3.33Å; L10-L13 HydrophobicContact CD2-CD1 3.52Å; L10-L13 WeakPolarHBondContact O-CB 3.44Å; L10-L13 PolarHBondContact O-N 2.95Å |
| 11 | G | 62.5 | Low | 64.4 | Low | 36 Ų | 36 | 144.1 Ų | 144.1 | 37% | 0.371 | 73% | 0.728 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -76.2 | -17.5 | 171.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | D9 | D9-G11 PolarHBondContact O-N 3.45Š|
| 12 | L | 60.5 | Low | 65.5 | Low | 104 Ų | 104 | 140.7 Ų | 140.7 | 55% | 0.545 | 71% | 0.706 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -86.3 | -17.6 | 169 | -62.4 | 178.9 | 0 | 0 | 0 | 112.1 | D9 L10 E14 | D9-L12 HydrophobicContact CB-CD1 3.95Å; D9-L12 PolarHBondContact O-N 3.35Å; D9-L12 WeakPolarHBondContact O-CB 3.47Å; D9-L12 HydrophobicContact CB-CG 4.02Å; D9-L12 HydrophobicContact CB-CB 4.44Å; L10-L12 VanDerWaalsContact C-N 3.33Å; L12-E14 PolarHBondContact O-N 3.5Å |
| 13 | L | 63.6 | Low | 66.4 | Low | 80 Ų | 80 | 137 Ų | 137 | 42% | 0.419 | 68% | 0.68 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -78.1 | -4.7 | 169.1 | -56.7 | -179 | 0 | 0 | 0 | 112 | V8 D9 L10 D17 | V8-L13 HydrophobicContact CG1-CD1 3.8Å; V8-L13 HydrophobicContact CG1-CD2 4.05Å; V8-L13 HydrophobicContact CG1-CG 4.06Å; D9-L13 PolarHBondContact O-N 3.19Å; L10-L13 HydrophobicContact CD2-CD1 3.52Å; L10-L13 WeakPolarHBondContact O-CB 3.44Å; L10-L13 PolarHBondContact O-N 2.95Å; L13-D17 WeakPolarHBondContact O-CB 2.88Å |
| 14 | E | 62 | Low | 67.2 | Low | 163 Ų | 163 | 131.7 Ų | 131.7 | 76% | 0.762 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.2 | -13.4 | 175.6 | -66.9 | 178.3 | -169.8 | 0 | 0 | 112.1 | L12 | L12-E14 PolarHBondContact O-N 3.5Š|
| 15 | E | 63.1 | Low | 67.6 | Low | 161 Ų | 161 | 131.6 Ų | 131.6 | 75% | 0.752 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.2 | -25.3 | -177.2 | -63 | -178.5 | 172.2 | 0 | 0 | 113.8 | | |
| 16 | D | 66.4 | Low | 67.8 | Low | 154 Ų | 154 | 125.5 Ų | 125.5 | 82% | 0.824 | 66% | 0.662 | S | S | * | * | S | Bend | trans | -103.4 | -1.1 | 175.8 | -83.3 | -22.6 | 0 | 0 | 0 | 113.5 | | |
| 17 | D | 67 | Low | 67.8 | Low | 91 Ų | 91 | 124 Ų | 124 | 49% | 0.487 | 66% | 0.655 | S | S | . | * | | | trans | -108.8 | 39.3 | -179.1 | -141.4 | 39 | 0 | 0 | 0 | 111.4 | L13 F19 | L13-D17 WeakPolarHBondContact O-CB 2.88Å; D17-F19 PolarHBondContact O-N 3.4Å; D17-F19 WeakPolarHBondContact OD1-CD2 3.46Å; D17-F19 WeakPolarHBondContact OD1-CE2 2.92Å; D17-F19 WeakPolarHBondContact OD2-CD2 2.86Å |
| 18 | E | 66 | Low | 68 | Low | 185 Ų | 185 | 123.2 Ų | 123.2 | 86% | 0.864 | 64% | 0.643 | S | S | * | * | | | trans | -68.1 | 67.2 | 150.4 | -151.6 | 172.2 | -135.9 | 0 | 0 | 106.7 | E20 | E18-E20 PolarHBondContact O-N 3.04Š|
| 19 | F | 70 | Confident | 68 | Low | 146 Ų | 146 | 128.8 Ų | 128.8 | 64% | 0.64 | 66% | 0.655 | S | S | * | * | | | trans | -52.6 | 116.8 | 178.8 | -113.7 | -76.3 | 0 | 0 | 0 | 107.1 | D17 E21 F22 | D17-F19 PolarHBondContact O-N 3.4Å; D17-F19 WeakPolarHBondContact OD1-CD2 3.46Å; D17-F19 WeakPolarHBondContact OD1-CE2 2.92Å; D17-F19 WeakPolarHBondContact OD2-CD2 2.86Å; F19-E21 PolarHBondContact O-N 2.97Å; F19-F22 HydrophobicContact CE1-CE2 4.44Å |
| 20 | E | 70.9 | Confident | 67.7 | Low | 173 Ų | 173 | 132.9 Ų | 132.9 | 81% | 0.808 | 69% | 0.691 | S | S | * | * | | | trans | -55.8 | 116 | 167.4 | -78 | -176.4 | 175.7 | 0 | 0 | 106.6 | E18 F22 | E18-E20 PolarHBondContact O-N 3.04Å; E20-F22 PolarHBondContact O-N 2.98Å |
| 21 | E | 72.8 | Confident | 68 | Low | 188 Ų | 188 | 133.6 Ų | 133.6 | 88% | 0.879 | 70% | 0.695 | S | S | * | * | | | trans | -52.6 | 115.2 | 178.5 | -170.2 | 172.5 | -147 | 0 | 0 | 107.2 | F19 P23 | F19-E21 PolarHBondContact O-N 2.97Å; E21-P23 WeakPolarHBondContact O-CD 3.44Å |
| 22 | F | 73.3 | Confident | 68.2 | Low | 169 Ų | 169 | 138.7 Ų | 138.7 | 74% | 0.741 | 71% | 0.712 | S | S | * | * | P | Polyproline II helix | trans | -49.3 | 121.1 | -173.1 | -102.6 | -90.6 | 0 | 0 | 0 | 108.6 | F19 E20 A24 | F19-F22 HydrophobicContact CE1-CE2 4.44Å; E20-F22 PolarHBondContact O-N 2.98Å; F22-A24 PolarHBondContact O-N 2.98Å |
| 23 | P | 75.4 | Confident | 68.7 | Low | 46 Ų | 46 | 140.6 Ų | 140.6 | 30% | 0.299 | 72% | 0.721 | S | S | . | * | P | Polyproline II helix | trans | -55.5 | 122.9 | 179.5 | 14.1 | -25.3 | 0 | 0 | 0 | 108 | E21 E25 Q27 L28 | E21-P23 WeakPolarHBondContact O-CD 3.44Å; P23-E25 PolarHBondContact O-N 2.84Å; P23-Q27 HydrophobicContact CB-CB 3.71Å; P23-L28 HydrophobicContact CB-CD2 4.14Å; P23-L28 HydrophobicContact CB-CG 4.07Å; P23-L28 HydrophobicContact CG-CD1 4.1Å; P23-L28 HydrophobicContact CG-CD2 3.38Å; P23-L28 HydrophobicContact CG-CG 3.63Å |
| 24 | A | 76.1 | Confident | 69 | Low | 62 Ų | 62 | 144.2 Ų | 144.2 | 51% | 0.512 | 74% | 0.739 | S | S | . | * | P | Polyproline II helix | trans | -51.6 | 141.2 | 174 | 0 | 0 | 0 | 0 | 0 | 107.9 | F22 G26 Q27 | F22-A24 PolarHBondContact O-N 2.98Å; A24-G26 CarbonylContact O-C 3.58Å; A24-G26 PolarHBondContact O-N 2.81Å; A24-Q27 PolarHBondContact O-N 2.64Å |
| 25 | E | 72.2 | Confident | 69.4 | Low | 197 Ų | 197 | 143 Ų | 143 | 92% | 0.921 | 74% | 0.738 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -48.8 | -10.7 | -163.7 | -61.1 | 180 | 165.6 | 0 | 0 | 116.7 | P23 | P23-E25 PolarHBondContact O-N 2.84Š|
| 26 | G | 68.3 | Low | 69.8 | Low | 71 Ų | 71 | 141.8 Ų | 141.8 | 73% | 0.732 | 74% | 0.737 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.2 | 2.3 | 172.3 | 0 | 0 | 0 | 0 | 0 | 117.1 | A24 | A24-G26 CarbonylContact O-C 3.58Å; A24-G26 PolarHBondContact O-N 2.81Å |
| 27 | Q | 67.4 | Low | 70.1 | Confident | 137 Ų | 137 | 140.9 Ų | 140.9 | 64% | 0.64 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -101.2 | -9.7 | -178.2 | -64.8 | 177.1 | 49.7 | 0 | 0 | 113.9 | P23 A24 | P23-Q27 HydrophobicContact CB-CB 3.71Å; A24-Q27 PolarHBondContact O-N 2.64Å |
| 28 | L | 70.4 | Confident | 70.3 | Confident | 108 Ų | 108 | 144.8 Ų | 144.8 | 57% | 0.565 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -87.8 | -6.9 | -177.3 | -73.3 | 176.2 | 0 | 0 | 0 | 114.9 | P23 | P23-L28 HydrophobicContact CB-CD2 4.14Å; P23-L28 HydrophobicContact CB-CG 4.07Å; P23-L28 HydrophobicContact CG-CD1 4.1Å; P23-L28 HydrophobicContact CG-CD2 3.38Å; P23-L28 HydrophobicContact CG-CG 3.63Å |
| 29 | Y | 67 | Low | 70.7 | Confident | 215 Ų | 215 | 141.4 Ų | 141.4 | 84% | 0.843 | 74% | 0.74 | S | S | * | * | | | trans | -144.8 | 95.2 | -179 | -61.4 | -77.6 | 0 | 0 | 0 | 110.6 | | |
| 30 | S | 64.4 | Low | 70.7 | Confident | 185 Ų | 185 | 141 Ų | 141 | 100% | 1.294 | 75% | 0.749 | S | S | * | * | | | trans | -146.7 | 0 | 160 | 61.6 | 0 | 0 | 0 | 0 | 109.6 | | |