| 1 | M | 45.5 | Very low | 58.8 | Low | 245 Ų | 245 | 157.4 Ų | 157.4 | 100% | 1.207 | 83% | 0.831 | S | S | * | * | | | | 0 | 103.2 | 0 | -56.4 | 174.6 | 175.8 | 0 | 0 | 104.9 | | |
| 2 | L | 52.8 | Low | 58.8 | Low | 181 Ų | 181 | 154.7 Ų | 154.7 | 95% | 0.948 | 83% | 0.826 | S | S | * | * | | | | -143.7 | 149.4 | 53.5 | -78.6 | 149.4 | 0 | 0 | 0 | 110.9 | | |
| 3 | Q | 46.8 | Very low | 58.8 | Low | 194 Ų | 194 | 147.8 Ų | 147.8 | 91% | 0.907 | 82% | 0.815 | S | S | * | * | | | trans | -104.4 | 138.3 | 175.2 | 174.2 | 175.7 | -31.9 | 0 | 0 | 109.1 | | |
| 4 | G | 59 | Low | 58.9 | Low | 71 Ų | 71 | 143.7 Ų | 143.7 | 73% | 0.732 | 81% | 0.81 | S | S | * | * | | | trans | 83 | 127.9 | 165.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 5 | Q | 64.2 | Low | 59.5 | Low | 190 Ų | 190 | 139.7 Ų | 139.7 | 89% | 0.888 | 80% | 0.802 | S | S | * | * | | | cis | -152.8 | 151.8 | 19.7 | -60 | -174.1 | 52.7 | 0 | 0 | 109.6 | V7 | Q5-V7 PolarHBondContact O-N 3.35Š|
| 6 | K | 63.6 | Low | 59.7 | Low | 181 Ų | 181 | 139.8 Ų | 139.8 | 79% | 0.787 | 80% | 0.798 | S | S | * | * | | | trans | -73.8 | 111.6 | 173.3 | -168.6 | 173.5 | -176.5 | -71.1 | 0 | 108.1 | E8 | K6-E8 PolarHBondContact O-N 3.4Š|
| 7 | V | 66.9 | Low | 60.3 | Low | 117 Ų | 117 | 137.5 Ų | 137.5 | 71% | 0.709 | 79% | 0.787 | S | S | * | * | | | trans | -69.2 | 112 | 169.4 | -179.7 | 0 | 0 | 0 | 0 | 106.8 | Q5 N9 | Q5-V7 PolarHBondContact O-N 3.35Å; V7-N9 PolarHBondContact O-N 3.36Å |
| 8 | E | 65.4 | Low | 60.8 | Low | 172 Ų | 172 | 139 Ų | 139 | 80% | 0.804 | 79% | 0.785 | S | S | * | * | | | trans | -69.3 | 82.4 | 170.4 | -65 | -167.8 | 175.9 | 0 | 0 | 108.2 | K6 N10 | K6-E8 PolarHBondContact O-N 3.4Å; E8-N10 PolarHBondContact O-N 3.49Å |
| 9 | N | 62.2 | Low | 61.3 | Low | 138 Ų | 138 | 140.9 Ų | 140.9 | 74% | 0.738 | 78% | 0.784 | S | S | * | * | | | trans | 33.3 | 92.7 | 164.4 | -66.5 | -49.6 | 0 | 0 | 0 | 113.8 | V7 P11 | V7-N9 PolarHBondContact O-N 3.36Å; N9-P11 WeakPolarHBondContact O-CD 3.46Å |
| 10 | N | 62.9 | Low | 61.8 | Low | 126 Ų | 126 | 143.8 Ų | 143.8 | 67% | 0.674 | 79% | 0.788 | S | S | * | * | | | trans | -46.6 | 104.7 | 163.4 | -178.7 | 19.6 | 0 | 0 | 0 | 108.4 | E8 T12 | E8-N10 PolarHBondContact O-N 3.49Å; N10-T12 PolarHBondContact O-N 3.34Å; N10-T12 PolarHBondContact O-OG1 3.18Å |
| 11 | P | 57.7 | Low | 62.3 | Low | 116 Ų | 116 | 148 Ų | 148 | 75% | 0.753 | 79% | 0.792 | S | S | * | * | | | trans | -70.9 | 82.3 | -170 | 28.9 | -32.7 | 0 | 0 | 0 | 107.5 | N9 G13 | N9-P11 WeakPolarHBondContact O-CD 3.46Å; P11-G13 PolarHBondContact O-N 2.79Å |
| 12 | T | 58.1 | Low | 63.5 | Low | 125 Ų | 125 | 144.6 Ų | 144.6 | 77% | 0.767 | 77% | 0.771 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62 | 113.7 | -171.2 | -64.3 | 0 | 0 | 0 | 0 | 107.6 | N10 | N10-T12 PolarHBondContact O-N 3.34Å; N10-T12 PolarHBondContact O-OG1 3.18Å |
| 13 | G | 59.7 | Low | 64.5 | Low | 66 Ų | 66 | 144.3 Ų | 144.3 | 68% | 0.68 | 76% | 0.758 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 80.7 | 58.5 | 154.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | P11 A15 | P11-G13 PolarHBondContact O-N 2.79Å; G13-A15 PolarHBondContact O-N 3.25Å |
| 14 | A | 60.3 | Low | 65.6 | Low | 90 Ų | 90 | 145.3 Ų | 145.3 | 74% | 0.744 | 75% | 0.754 | S | S | * | * | | | trans | -69.1 | 78.6 | 152.6 | 0 | 0 | 0 | 0 | 0 | 109 | L16 | A14-L16 PolarHBondContact O-N 3.14Š|
| 15 | A | 66.9 | Low | 66.3 | Low | 83 Ų | 83 | 147.6 Ų | 147.6 | 69% | 0.686 | 75% | 0.745 | S | S | * | * | | | trans | -74.6 | 82.4 | 164.7 | 0 | 0 | 0 | 0 | 0 | 107.5 | G13 V17 | G13-A15 PolarHBondContact O-N 3.25Å; A15-V17 PolarHBondContact O-N 3.42Å; A15-V17 HydrophobicContact CB-CG2 4.26Å |
| 16 | L | 63.8 | Low | 66.5 | Low | 141 Ų | 141 | 145.8 Ų | 145.8 | 74% | 0.738 | 73% | 0.732 | S | S | * | * | | | trans | -68.9 | 70.8 | 168.9 | -68.9 | 176.7 | 0 | 0 | 0 | 109.2 | A14 H18 | A14-L16 PolarHBondContact O-N 3.14Å; L16-H18 VanDerWaalsContact C-N 3.33Å; L16-H18 PolarHBondContact O-N 3.14Å; L16-H18 PolarHBondContact O-ND1 3.16Å; L16-H18 VanDerWaalsContact O-ND1 3.08Å |
| 17 | V | 69.5 | Low | 66.5 | Low | 101 Ų | 101 | 143.7 Ų | 143.7 | 61% | 0.612 | 73% | 0.726 | S | S | * | * | | | trans | -72.1 | 97.7 | 170.7 | -171 | 0 | 0 | 0 | 0 | 106.6 | A15 K19 | A15-V17 PolarHBondContact O-N 3.42Å; A15-V17 HydrophobicContact CB-CG2 4.26Å; V17-K19 HydrophobicContact CB-CG 4.49Å; V17-K19 HydrophobicContact CG1-CD 4.47Å; V17-K19 HydrophobicContact CG1-CG 3.7Å; V17-K19 PolarHBondContact O-N 3.36Å |
| 18 | H | 68.3 | Low | 66.7 | Low | 165 Ų | 165 | 143.8 Ų | 143.8 | 76% | 0.764 | 72% | 0.723 | S | S | * | * | | | trans | -66.8 | 74.2 | 171.4 | -73.1 | 76.2 | 0 | 0 | 0 | 109.4 | L16 K20 | L16-H18 VanDerWaalsContact C-N 3.33Å; L16-H18 PolarHBondContact O-N 3.14Å; L16-H18 PolarHBondContact O-ND1 3.16Å; L16-H18 VanDerWaalsContact O-ND1 3.08Å; H18-K20 VanDerWaalsContact O-N 3.08Å; H18-K20 PolarHBondContact O-N 3.08Å |
| 19 | K | 71.1 | Confident | 67.1 | Low | 175 Ų | 175 | 144.4 Ų | 144.4 | 76% | 0.761 | 72% | 0.718 | S | S | * | * | | | trans | -73.2 | 101.3 | 167.5 | -63.2 | -170.1 | -176.8 | 179.1 | 0 | 106.4 | V17 R21 | V17-K19 HydrophobicContact CB-CG 4.49Å; V17-K19 HydrophobicContact CG1-CD 4.47Å; V17-K19 HydrophobicContact CG1-CG 3.7Å; V17-K19 PolarHBondContact O-N 3.36Å; K19-R21 PolarHBondContact O-N 2.74Å |
| 20 | K | 72.3 | Confident | 67.5 | Low | 198 Ų | 198 | 150.2 Ų | 150.2 | 86% | 0.861 | 73% | 0.729 | S | S | * | * | | | trans | -49 | 120.5 | 162.1 | -68.3 | -176.9 | 179.9 | 178.5 | 0 | 106.1 | H18 K22 | H18-K20 VanDerWaalsContact O-N 3.08Å; H18-K20 PolarHBondContact O-N 3.08Å; K20-K22 PolarHBondContact O-N 3.05Å |
| 21 | R | 70.4 | Confident | 67.8 | Low | 234 Ų | 234 | 147 Ų | 147 | 88% | 0.883 | 73% | 0.725 | S | S | * | * | | | trans | -57 | 102.3 | -179.2 | -69.1 | -175.2 | -176.7 | 168.2 | 0.8 | 107.6 | K19 Y23 | K19-R21 PolarHBondContact O-N 2.74Å; R21-Y23 PolarHBondContact O-N 2.76Å |
| 22 | K | 70.7 | Confident | 68.3 | Low | 173 Ų | 173 | 144.4 Ų | 144.4 | 75% | 0.752 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -62.2 | -29.8 | -173.2 | -175.9 | 177.1 | 178.5 | -172 | 0 | 111.8 | K20 | K20-K22 PolarHBondContact O-N 3.05Š|
| 23 | Y | 74.9 | Confident | 68.8 | Low | 175 Ų | 175 | 148.2 Ų | 148.2 | 69% | 0.686 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -117.7 | 126 | -178.5 | -56.7 | -73.3 | 0 | 0 | 0 | 109.7 | R21 | R21-Y23 PolarHBondContact O-N 2.76Š|
| 24 | R | 68.8 | Low | 69 | Low | 214 Ų | 214 | 151.7 Ų | 151.7 | 81% | 0.808 | 73% | 0.729 | S | S | * | * | | | trans | -66.9 | 137.5 | 165.8 | -66.7 | 176.6 | 65.4 | -151.1 | -1.4 | 107.8 | Y26 | R24-Y26 PolarHBondContact O-N 2.93Å; R24-Y26 VanDerWaalsContact O-N 3.14Å |
| 25 | Q | 74.7 | Confident | 69.5 | Low | 119 Ų | 119 | 157.4 Ų | 157.4 | 56% | 0.556 | 73% | 0.732 | S | S | * | * | | | trans | -55.8 | 120.3 | 170.8 | -68.9 | -72.2 | 10.3 | 0 | 0 | 108.5 | M27 N28 | Q25-M27 PolarHBondContact O-N 3.08Å; Q25-M27 VanDerWaalsContact O-N 3.16Å; Q25-N28 PolarHBondContact O-N 2.94Å; Q25-N28 VanDerWaalsContact O-N 3.14Å |
| 26 | Y | 68.3 | Low | 69.8 | Low | 153 Ų | 153 | 158.9 Ų | 158.9 | 60% | 0.6 | 73% | 0.734 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.7 | -22.2 | -176.4 | 58.8 | -91.9 | 0 | 0 | 0 | 112.7 | R24 N28 R29 | R24-Y26 PolarHBondContact O-N 2.93Å; R24-Y26 VanDerWaalsContact O-N 3.14Å; Y26-N28 VanDerWaalsContact C-N 3.28Å; Y26-N28 PolarHBondContact O-N 2.86Å; Y26-R29 WeakPolarHBondContact O-CG 3.44Å |
| 27 | M | 62.9 | Low | 70.2 | Confident | 136 Ų | 136 | 160.1 Ų | 160.1 | 67% | 0.67 | 74% | 0.741 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72 | -17.6 | 178.6 | -58.2 | -173.5 | -170 | 0 | 0 | 113.6 | Q25 R29 | Q25-M27 PolarHBondContact O-N 3.08Å; Q25-M27 VanDerWaalsContact O-N 3.16Å; M27-R29 PolarHBondContact O-N 3.04Å |
| 28 | N | 72.7 | Confident | 70.5 | Confident | 120 Ų | 120 | 162.5 Ų | 162.5 | 64% | 0.642 | 75% | 0.75 | S | S | * | * | | | trans | -96.6 | 36.9 | -176 | -64.3 | -22.2 | 0 | 0 | 0 | 113 | Q25 Y26 | Q25-N28 PolarHBondContact O-N 2.94Å; Q25-N28 VanDerWaalsContact O-N 3.14Å; Y26-N28 VanDerWaalsContact C-N 3.28Å; Y26-N28 PolarHBondContact O-N 2.86Å |
| 29 | R | 73.5 | Confident | 70.6 | Confident | 184 Ų | 184 | 160.4 Ų | 160.4 | 69% | 0.694 | 75% | 0.751 | S | S | * | * | | | trans | -84.2 | 130.4 | 174.8 | -67.1 | 178.3 | -169.8 | -149.6 | 3.6 | 109.9 | Y26 M27 G31 G32 | Y26-R29 WeakPolarHBondContact O-CG 3.44Å; M27-R29 PolarHBondContact O-N 3.04Å; R29-G31 PolarHBondContact O-N 3.02Å; R29-G32 PolarHBondContact O-N 2.65Å |
| 30 | R | 69.7 | Low | 70.6 | Confident | 261 Ų | 261 | 160.2 Ų | 160.2 | 99% | 0.985 | 76% | 0.757 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.8 | 118.5 | 165.2 | -79.8 | -167.3 | 173.3 | -172.1 | -1.3 | 107.8 | | |
| 31 | G | 68.5 | Low | 70.9 | Confident | 57 Ų | 57 | 158.8 Ų | 158.8 | 59% | 0.588 | 78% | 0.782 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 126.9 | -20.9 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | R29 | R29-G31 PolarHBondContact O-N 3.02Š|
| 32 | G | 68.4 | Low | 70.9 | Confident | 63 Ų | 63 | 155.1 Ų | 155.1 | 65% | 0.649 | 78% | 0.777 | S | S | * | * | | | trans | 54.3 | -168.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | R29 N34 | R29-G32 PolarHBondContact O-N 2.65Å; G32-N34 PolarHBondContact O-N 3.5Å |
| 33 | F | 68.4 | Low | 70.9 | Confident | 204 Ų | 204 | 154.1 Ų | 154.1 | 90% | 0.895 | 78% | 0.778 | S | S | * | * | S | Bend | trans | -75.4 | -11.1 | 172.8 | -175.5 | -104.9 | 0 | 0 | 0 | 112.6 | | |
| 34 | N | 65 | Low | 70.7 | Confident | 139 Ų | 139 | 152.9 Ų | 152.9 | 74% | 0.743 | 78% | 0.783 | S | S | * | * | | | trans | -111.4 | 37.6 | -165.3 | -69 | 0.9 | 0 | 0 | 0 | 113.9 | G32 P36 | G32-N34 PolarHBondContact O-N 3.5Å; N34-P36 WeakPolarHBondContact O-CD 3.11Å |
| 35 | R | 70.3 | Confident | 70.8 | Confident | 211 Ų | 211 | 149.4 Ų | 149.4 | 80% | 0.796 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 122.6 | 164.9 | -165.8 | 170 | -173 | 155.2 | 0 | 107.3 | L37 | R35-L37 PolarHBondContact O-N 2.82Š|
| 36 | P | 73.3 | Confident | 70.6 | Confident | 114 Ų | 114 | 151.3 Ų | 151.3 | 74% | 0.74 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 134.7 | 177.3 | 23.7 | -31.8 | 0 | 0 | 0 | 109.1 | N34 | N34-P36 WeakPolarHBondContact O-CD 3.11Š|
| 37 | L | 72.3 | Confident | 70.7 | Confident | 167 Ų | 167 | 151.1 Ų | 151.1 | 87% | 0.874 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -75.9 | 136.5 | 173.9 | -64.7 | 170.3 | 0 | 0 | 0 | 108 | R35 | R35-L37 PolarHBondContact O-N 2.82Š|
| 38 | D | 75.1 | Confident | 71.3 | Confident | 150 Ų | 150 | 152.2 Ų | 152.2 | 80% | 0.802 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 141.1 | 178.7 | -65.9 | -39.8 | 0 | 0 | 0 | 110 | I40 | D38-I40 PolarHBondContact O-N 3.28Š|
| 39 | P | 71.6 | Confident | 71.2 | Confident | 122 Ų | 122 | 154.7 Ų | 154.7 | 79% | 0.792 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 132.9 | -177.8 | 24.9 | -31.7 | 0 | 0 | 0 | 110.3 | A41 | P39-A41 PolarHBondContact O-N 3.19Š|
| 40 | I | 71.5 | Confident | 71 | Confident | 171 Ų | 171 | 152.3 Ų | 152.3 | 88% | 0.877 | 84% | 0.844 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 120.6 | 166.4 | -57.1 | 170.2 | 0 | 0 | 0 | 105.9 | D38 | D38-I40 PolarHBondContact O-N 3.28Š|
| 41 | A | 77.7 | Confident | 71.1 | Confident | 168 Ų | 168 | 142.4 Ų | 142.4 | 100% | 1.388 | 83% | 0.831 | S | S | * | * | | | trans | -60.8 | 0 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | P39 | P39-A41 PolarHBondContact O-N 3.19Š|