| 1 | M | 52.9 | Low | 61.3 | Low | 205 Ų | 205 | 149.9 Ų | 149.9 | 100% | 1.01 | 75% | 0.75 | S | S | * | * | | | | 0 | 113 | 0 | -165.2 | 170.9 | -97.6 | 0 | 0 | 106.3 | W3 | M1-W3 HydrophobicContact SD-CZ2 4.18Š|
| 2 | K | 49.4 | Very low | 61.1 | Low | 196 Ų | 196 | 148.2 Ų | 148.2 | 85% | 0.852 | 75% | 0.752 | S | S | * | * | | | trans | -84.7 | 115.6 | 174.9 | -69.9 | -174.2 | 176.5 | -176.6 | 0 | 105.9 | D4 | K2-D4 PolarHBondContact O-N 3.23Š|
| 3 | W | 65.5 | Low | 61 | Low | 220 Ų | 220 | 141.8 Ų | 141.8 | 83% | 0.833 | 74% | 0.737 | S | S | * | * | | | trans | -82.9 | 110.5 | 173 | -72 | 89.3 | 0 | 0 | 0 | 106.7 | M1 Q5 | M1-W3 HydrophobicContact SD-CZ2 4.18Å; W3-Q5 PolarHBondContact O-N 2.95Å |
| 4 | D | 67.7 | Low | 61.1 | Low | 141 Ų | 141 | 137.9 Ų | 137.9 | 75% | 0.754 | 73% | 0.726 | S | S | * | * | | | trans | -70.1 | 113.7 | 173.8 | -65.2 | -42 | 0 | 0 | 0 | 107.5 | K2 V6 | K2-D4 PolarHBondContact O-N 3.23Å; D4-V6 VanDerWaalsContact C-N 3.3Å; D4-V6 PolarHBondContact O-N 3.25Å |
| 5 | Q | 61 | Low | 60.9 | Low | 197 Ų | 197 | 132.1 Ų | 132.1 | 92% | 0.921 | 71% | 0.713 | S | S | * | * | | | trans | -73 | 90.1 | 177.9 | -167.9 | 171.1 | 44.3 | 0 | 0 | 107.6 | W3 E7 | W3-Q5 PolarHBondContact O-N 2.95Å; Q5-E7 PolarHBondContact O-N 3.18Å |
| 6 | V | 69.6 | Low | 60.6 | Low | 113 Ų | 113 | 134.3 Ų | 134.3 | 69% | 0.685 | 72% | 0.724 | S | S | * | * | | | trans | -75.5 | 115.2 | 170.6 | 179.8 | 0 | 0 | 0 | 0 | 107.1 | D4 V8 | D4-V6 VanDerWaalsContact C-N 3.3Å; D4-V6 PolarHBondContact O-N 3.25Å; V6-V8 PolarHBondContact O-N 3.43Å |
| 7 | E | 61.2 | Low | 60.7 | Low | 176 Ų | 176 | 131.3 Ų | 131.3 | 82% | 0.822 | 72% | 0.722 | S | S | * | * | | | trans | -67.7 | 100.2 | 172.3 | -167 | 174 | -173.2 | 0 | 0 | 108.2 | Q5 V9 | Q5-E7 PolarHBondContact O-N 3.18Å; E7-V9 PolarHBondContact O-N 3.02Å |
| 8 | V | 62.8 | Low | 60.8 | Low | 102 Ų | 102 | 130.7 Ų | 130.7 | 62% | 0.618 | 73% | 0.728 | S | S | * | * | | | trans | -78.5 | 101.9 | 178.9 | -178.8 | 0 | 0 | 0 | 0 | 107.8 | V6 P10 A13 | V6-V8 PolarHBondContact O-N 3.43Å; V8-P10 WeakPolarHBondContact O-CD 3.45Å; V8-A13 HydrophobicContact CG1-CB 3.58Å |
| 9 | V | 68.1 | Low | 60.6 | Low | 80 Ų | 80 | 128.4 Ų | 128.4 | 49% | 0.485 | 72% | 0.722 | S | S | . | * | | | trans | -66.7 | 116.8 | 172.8 | -179.1 | 0 | 0 | 0 | 0 | 108.4 | E7 D11 V12 A13 | E7-V9 PolarHBondContact O-N 3.02Å; V9-D11 HydrophobicContact CG1-CB 4.41Å; V9-D11 PolarHBondContact O-N 3.34Å; V9-V12 PolarHBondContact O-N 3Å; V9-V12 VanDerWaalsContact O-N 3.14Å; V9-A13 PolarHBondContact O-N 2.7Å |
| 10 | P | 56.7 | Low | 60.3 | Low | 84 Ų | 84 | 130.1 Ų | 130.1 | 55% | 0.545 | 73% | 0.729 | S | S | . | * | H | α-helix | trans | -63.7 | -26.1 | -169.5 | 22.6 | -32.7 | 0 | 0 | 0 | 113.5 | V8 V12 A13 C14 | V8-P10 WeakPolarHBondContact O-CD 3.45Å; P10-V12 VanDerWaalsContact C-N 3.28Å; P10-V12 PolarHBondContact O-N 2.87Å; P10-A13 PolarHBondContact O-N 3.45Å; P10-C14 WeakPolarHBondContact O-CB 3.39Å; P10-C14 PolarHBondContact O-N 3.24Å |
| 11 | D | 59.5 | Low | 60.3 | Low | 135 Ų | 135 | 129.9 Ų | 129.9 | 72% | 0.722 | 73% | 0.727 | S | S | * | * | H | α-helix | trans | -63.9 | -30.7 | 177.6 | -68.4 | -51 | 0 | 0 | 0 | 113.3 | V9 G15 | V9-D11 HydrophobicContact CG1-CB 4.41Å; V9-D11 PolarHBondContact O-N 3.34Å; D11-G15 WeakPolarHBondContact O-CA 3.32Å |
| 12 | V | 59.3 | Low | 60.8 | Low | 129 Ų | 129 | 125 Ų | 125 | 78% | 0.782 | 71% | 0.713 | S | S | * | * | H | α-helix | trans | -84.9 | -37.4 | 176.1 | 180 | 0 | 0 | 0 | 0 | 110.9 | V9 P10 | V9-V12 PolarHBondContact O-N 3Å; V9-V12 VanDerWaalsContact O-N 3.14Å; P10-V12 VanDerWaalsContact C-N 3.28Å; P10-V12 PolarHBondContact O-N 2.87Å |
| 13 | A | 58.7 | Low | 61.4 | Low | 66 Ų | 66 | 120.3 Ų | 120.3 | 55% | 0.545 | 71% | 0.71 | S | S | . | * | H | α-helix | trans | -73.8 | -34.3 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | V8 V9 P10 | V8-A13 HydrophobicContact CG1-CB 3.58Å; V9-A13 PolarHBondContact O-N 2.7Å; P10-A13 PolarHBondContact O-N 3.45Å |
| 14 | C | 62.5 | Low | 61.4 | Low | 87 Ų | 87 | 113 Ų | 113 | 59% | 0.588 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.6 | 21.6 | -176.3 | -61 | 0 | 0 | 0 | 0 | 112.3 | P10 N16 A17 | P10-C14 WeakPolarHBondContact O-CB 3.39Å; P10-C14 PolarHBondContact O-N 3.24Å; C14-N16 PolarHBondContact O-N 3.24Å; C14-A17 PolarHBondContact O-N 2.81Å |
| 15 | G | 57.9 | Low | 61.5 | Low | 51 Ų | 51 | 109.2 Ų | 109.2 | 53% | 0.526 | 70% | 0.698 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -31.5 | 117 | -169.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | D11 A17 | D11-G15 WeakPolarHBondContact O-CA 3.32Å; G15-A17 VanDerWaalsContact C-N 3.33Å; G15-A17 PolarHBondContact O-N 3.33Å; G15-A17 VanDerWaalsContact O-N 3.09Å |
| 16 | N | 56.5 | Low | 62 | Low | 166 Ų | 166 | 110.6 Ų | 110.6 | 89% | 0.888 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 27.2 | 64.7 | -179.1 | -88.6 | 5.7 | 0 | 0 | 0 | 113.9 | C14 S18 | C14-N16 PolarHBondContact O-N 3.24Å; N16-S18 PolarHBondContact O-N 3.37Å |
| 17 | A | 62.3 | Low | 62.1 | Low | 84 Ų | 84 | 113.4 Ų | 113.4 | 69% | 0.694 | 71% | 0.705 | S | S | * | * | | | trans | -71.2 | 63.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | C14 G15 S19 | C14-A17 PolarHBondContact O-N 2.81Å; G15-A17 VanDerWaalsContact C-N 3.33Å; G15-A17 PolarHBondContact O-N 3.33Å; G15-A17 VanDerWaalsContact O-N 3.09Å; A17-S19 PolarHBondContact O-N 3.39Å |
| 18 | S | 63.2 | Low | 62.7 | Low | 120 Ų | 120 | 109.4 Ų | 109.4 | 84% | 0.839 | 69% | 0.692 | S | S | * | * | | | trans | -84 | 63.4 | 153.6 | 179.1 | 0 | 0 | 0 | 0 | 107.6 | N16 N20 | N16-S18 PolarHBondContact O-N 3.37Å; S18-N20 PolarHBondContact O-N 2.74Å |
| 19 | S | 57.5 | Low | 63.4 | Low | 87 Ų | 87 | 110.3 Ų | 110.3 | 61% | 0.608 | 70% | 0.703 | S | S | * | * | | | trans | -89.9 | 96.2 | 176.4 | -172.3 | 0 | 0 | 0 | 0 | 108.5 | A17 N21 | A17-S19 PolarHBondContact O-N 3.39Å; S19-N21 PolarHBondContact O-N 3.09Å; S19-N21 PolarHBondContact OG-N 3.24Å; S19-N21 PolarHBondContact OG-O 3.32Å |
| 20 | N | 52.8 | Low | 63.9 | Low | 163 Ų | 163 | 114.3 Ų | 114.3 | 87% | 0.872 | 71% | 0.714 | S | S | * | * | | | trans | -78.8 | 12.9 | 161.4 | -158.2 | 18 | 0 | 0 | 0 | 111.6 | S18 S22 | S18-N20 PolarHBondContact O-N 2.74Å; N20-S22 PolarHBondContact O-N 3.21Å |
| 21 | N | 61.1 | Low | 65.1 | Low | 126 Ų | 126 | 119.5 Ų | 119.5 | 67% | 0.674 | 73% | 0.731 | S | S | * | * | | | trans | -86.6 | 89.9 | 170 | -158.8 | 40.5 | 0 | 0 | 0 | 106.8 | S19 A23 | S19-N21 PolarHBondContact O-N 3.09Å; S19-N21 PolarHBondContact OG-N 3.24Å; S19-N21 PolarHBondContact OG-O 3.32Å; N21-A23 VanDerWaalsContact C-N 3.33Å; N21-A23 PolarHBondContact O-N 3.23Å |
| 22 | S | 63.6 | Low | 65.9 | Low | 103 Ų | 103 | 118 Ų | 118 | 72% | 0.72 | 73% | 0.727 | S | S | * | * | | | trans | -52.5 | 104.8 | 163.1 | 42 | 0 | 0 | 0 | 0 | 106.9 | N20 G24 | N20-S22 PolarHBondContact O-N 3.21Å; S22-G24 PolarHBondContact O-N 3.38Å |
| 23 | A | 62.9 | Low | 66.9 | Low | 96 Ų | 96 | 116 Ų | 116 | 79% | 0.793 | 72% | 0.716 | S | S | * | * | | | trans | -68.1 | 68 | 164 | 0 | 0 | 0 | 0 | 0 | 106.8 | N21 G25 | N21-A23 VanDerWaalsContact C-N 3.33Å; N21-A23 PolarHBondContact O-N 3.23Å; A23-G25 PolarHBondContact O-N 2.87Å |
| 24 | G | 64.4 | Low | 67.8 | Low | 66 Ų | 66 | 121.4 Ų | 121.4 | 68% | 0.68 | 73% | 0.731 | S | S | * | * | | | trans | -60.2 | 96.2 | 172 | 0 | 0 | 0 | 0 | 0 | 105.9 | S22 R26 | S22-G24 PolarHBondContact O-N 3.38Å; G24-R26 PolarHBondContact O-N 3.35Å |
| 25 | G | 70.4 | Confident | 68.3 | Low | 63 Ų | 63 | 124.7 Ų | 124.7 | 65% | 0.649 | 74% | 0.742 | S | S | * | * | | | trans | -49.4 | 129 | -179 | 0 | 0 | 0 | 0 | 0 | 108.8 | A23 L27 | A23-G25 PolarHBondContact O-N 2.87Å; G25-L27 PolarHBondContact O-N 3.14Å |
| 26 | R | 71.8 | Confident | 68.6 | Low | 225 Ų | 225 | 126.8 Ų | 126.8 | 85% | 0.849 | 75% | 0.745 | S | S | * | * | | | trans | -64 | 110.3 | 176.7 | -175.8 | 175.1 | 178.3 | -169.9 | -1.4 | 107.4 | G24 V28 | G24-R26 PolarHBondContact O-N 3.35Å; R26-V28 PolarHBondContact O-N 3.18Å |
| 27 | L | 71.9 | Confident | 69.3 | Low | 173 Ų | 173 | 124.2 Ų | 124.2 | 91% | 0.906 | 74% | 0.74 | S | S | * | * | | | trans | -61.7 | 110.7 | 172.2 | -61.6 | 179 | 0 | 0 | 0 | 107.4 | G25 | G25-L27 PolarHBondContact O-N 3.14Š|
| 28 | V | 72.3 | Confident | 69.4 | Low | 92 Ų | 92 | 130.4 Ų | 130.4 | 56% | 0.558 | 77% | 0.769 | S | S | * | * | | | trans | -95.1 | 121.7 | 174.5 | -75.6 | 0 | 0 | 0 | 0 | 107.7 | R26 F30 | R26-V28 PolarHBondContact O-N 3.18Å; V28-F30 HydrophobicContact CB-CZ 4.07Å; V28-F30 VanDerWaalsContact CG2-CZ 3.48Å; V28-F30 HydrophobicContact CG2-CZ 3.48Å; V28-F30 HydrophobicContact CG2-CE2 3.92Å; V28-F30 HydrophobicContact CG2-CE1 4.23Å; V28-F30 HydrophobicContact CB-CE1 4.4Å |
| 29 | S | 78.1 | Confident | 69.7 | Low | 121 Ų | 121 | 131 Ų | 131 | 85% | 0.846 | 77% | 0.765 | S | S | * | * | | | trans | -94.5 | 135.4 | 171 | -171.1 | 0 | 0 | 0 | 0 | 108 | | |
| 30 | F | 78.4 | Confident | 70.3 | Confident | 163 Ų | 163 | 133.3 Ų | 133.3 | 72% | 0.715 | 77% | 0.773 | S | S | * | * | | | trans | -111.1 | 128.3 | 175.5 | -49.2 | -80.9 | 0 | 0 | 0 | 107.8 | V28 V32 | V28-F30 HydrophobicContact CB-CZ 4.07Å; V28-F30 VanDerWaalsContact CG2-CZ 3.48Å; V28-F30 HydrophobicContact CG2-CZ 3.48Å; V28-F30 HydrophobicContact CG2-CE2 3.92Å; V28-F30 HydrophobicContact CG2-CE1 4.23Å; V28-F30 HydrophobicContact CB-CE1 4.4Å; F30-V32 PolarHBondContact O-N 2.93Å |
| 31 | E | 81.6 | Confident | 71.3 | Confident | 194 Ų | 194 | 131.6 Ų | 131.6 | 91% | 0.907 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -72.1 | 124.7 | 172.6 | -70.9 | -179.3 | 175.6 | 0 | 0 | 109.3 | P33 | E31-P33 WeakPolarHBondContact O-CD 3.35Š|
| 32 | V | 77.7 | Confident | 71.9 | Confident | 102 Ų | 102 | 131.9 Ų | 131.9 | 62% | 0.618 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -83.1 | 119.6 | 172.5 | 179.7 | 0 | 0 | 0 | 0 | 108 | F30 Q34 | F30-V32 PolarHBondContact O-N 2.93Å; V32-Q34 PolarHBondContact O-N 3Å |
| 33 | P | 78.8 | Confident | 72.4 | Confident | 87 Ų | 87 | 133.8 Ų | 133.8 | 57% | 0.565 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 125.1 | 176.7 | -19.7 | 31 | 0 | 0 | 0 | 110.1 | E31 N35 T36 | E31-P33 WeakPolarHBondContact O-CD 3.35Å; P33-N35 PolarHBondContact O-N 3.37Å; P33-T36 HydrophobicContact CB-CG2 4.17Å; P33-T36 HydrophobicContact CG-CG2 4.39Å; P33-T36 PolarHBondContact O-N 3.19Å; P33-T36 PolarHBondContact O-OG1 3.17Å |
| 34 | Q | 78.1 | Confident | 73 | Confident | 181 Ų | 181 | 136.3 Ų | 136.3 | 85% | 0.846 | 78% | 0.776 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.1 | -9 | -174.3 | -64 | -71.4 | -81.6 | 0 | 0 | 114.4 | V32 | V32-Q34 PolarHBondContact O-N 3Š|
| 35 | N | 72.8 | Confident | 73.7 | Confident | 156 Ų | 156 | 141.3 Ų | 141.3 | 83% | 0.834 | 78% | 0.783 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.5 | 16.2 | -176.4 | -66.5 | -10 | 0 | 0 | 0 | 113.4 | P33 S37 | P33-N35 PolarHBondContact O-N 3.37Å; N35-S37 PolarHBondContact O-N 3.47Å |
| 36 | T | 65.1 | Low | 73.9 | Confident | 94 Ų | 94 | 147.3 Ų | 147.3 | 58% | 0.577 | 79% | 0.793 | S | S | * | * | | | trans | -78.2 | 98.2 | 168 | 59.7 | 0 | 0 | 0 | 0 | 108.8 | P33 | P33-T36 HydrophobicContact CB-CG2 4.17Å; P33-T36 HydrophobicContact CG-CG2 4.39Å; P33-T36 PolarHBondContact O-N 3.19Å; P33-T36 PolarHBondContact O-OG1 3.17Å |
| 37 | S | 71.1 | Confident | 74.1 | Confident | 112 Ų | 112 | 140.8 Ų | 140.8 | 78% | 0.783 | 79% | 0.788 | S | S | * | * | | | trans | -66.9 | 137.7 | 162.5 | 56.3 | 0 | 0 | 0 | 0 | 109.3 | N35 | N35-S37 PolarHBondContact O-N 3.47Š|
| 38 | V | 63.2 | Low | 74.3 | Confident | 215 Ų | 215 | 137.9 Ų | 137.9 | 100% | 1.303 | 78% | 0.777 | S | S | * | * | | | trans | -64 | 0 | 173.4 | 179.9 | 0 | 0 | 0 | 0 | 110.8 | | |