| 1 | K | 51.2 | Low | 67.2 | Low | 266 Ų | 266 | 134.1 Ų | 134.1 | 100% | 1.157 | 82% | 0.824 | S | S | * | * | | | | 0 | 109.3 | 0 | -70.1 | 175.7 | -179.7 | 174.4 | 0 | 106.8 | | |
| 2 | S | 61.9 | Low | 67.1 | Low | 123 Ų | 123 | 129.3 Ų | 129.3 | 86% | 0.86 | 82% | 0.82 | S | S | * | * | | | trans | -87.9 | 124.3 | 177.3 | -177.8 | 0 | 0 | 0 | 0 | 108.5 | G4 | S2-G4 PolarHBondContact O-N 3.38Š|
| 3 | S | 68.9 | Low | 66.8 | Low | 117 Ų | 117 | 128.3 Ų | 128.3 | 82% | 0.818 | 82% | 0.82 | S | S | * | * | | | trans | -90.8 | 80.2 | 168.2 | 58 | 0 | 0 | 0 | 0 | 108.3 | L5 | S3-L5 PolarHBondContact O-N 2.83Š|
| 4 | G | 75.8 | Confident | 66.8 | Low | 65 Ų | 65 | 133.6 Ų | 133.6 | 67% | 0.67 | 83% | 0.825 | S | S | * | * | | | trans | -66 | 122 | 171.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | S2 N6 | S2-G4 PolarHBondContact O-N 3.38Å; G4-N6 PolarHBondContact O-N 3.09Å |
| 5 | L | 74.1 | Confident | 66.6 | Low | 175 Ų | 175 | 131.5 Ų | 131.5 | 92% | 0.916 | 83% | 0.826 | S | S | * | * | | | trans | -70.3 | 114.6 | 172.1 | -115.5 | 138.3 | 0 | 0 | 0 | 108.3 | S3 | S3-L5 PolarHBondContact O-N 2.83Š|
| 6 | N | 71.2 | Confident | 66.2 | Low | 149 Ų | 149 | 130.2 Ų | 130.2 | 80% | 0.797 | 82% | 0.821 | S | S | * | * | | | trans | -92.2 | 105.5 | 177.7 | -154.2 | 8.9 | 0 | 0 | 0 | 108.8 | G4 C8 | G4-N6 PolarHBondContact O-N 3.09Å; N6-C8 PolarHBondContact O-N 3.5Å |
| 7 | L | 68.4 | Low | 66.2 | Low | 142 Ų | 142 | 134.5 Ų | 134.5 | 74% | 0.743 | 83% | 0.825 | S | S | * | * | | | trans | -90.5 | 100.6 | -179.8 | -177.6 | 62.2 | 0 | 0 | 0 | 109.6 | T9 | L7-T9 HydrophobicContact CD2-CG2 4.46Å; L7-T9 HydrophobicContact CG-CG2 4.31Å; L7-T9 PolarHBondContact O-N 3.12Å; L7-T9 VanDerWaalsContact O-N 3.09Å |
| 8 | C | 66.6 | Low | 66.1 | Low | 114 Ų | 114 | 133.1 Ų | 133.1 | 77% | 0.77 | 82% | 0.816 | S | S | * | * | | | trans | -72.3 | 98.5 | 173.9 | -62.1 | 0 | 0 | 0 | 0 | 110 | N6 G10 | N6-C8 PolarHBondContact O-N 3.5Å; C8-G10 PolarHBondContact O-N 2.88Å |
| 9 | T | 66.8 | Low | 65.9 | Low | 107 Ų | 107 | 133.6 Ų | 133.6 | 66% | 0.656 | 82% | 0.819 | S | S | * | * | | | trans | -80.8 | 96.6 | 169.3 | 51.7 | 0 | 0 | 0 | 0 | 109 | L7 T11 | L7-T9 HydrophobicContact CD2-CG2 4.46Å; L7-T9 HydrophobicContact CG-CG2 4.31Å; L7-T9 PolarHBondContact O-N 3.12Å; L7-T9 VanDerWaalsContact O-N 3.09Å; T9-T11 PolarHBondContact O-N 3.24Å |
| 10 | G | 66.1 | Low | 65.5 | Low | 82 Ų | 82 | 135 Ų | 135 | 85% | 0.845 | 81% | 0.808 | S | S | * | * | | | trans | -63.6 | 98.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | C8 | C8-G10 PolarHBondContact O-N 2.88Š|
| 11 | T | 68.4 | Low | 65.3 | Low | 135 Ų | 135 | 138.6 Ų | 138.6 | 83% | 0.828 | 81% | 0.814 | S | S | * | * | | | trans | -96.5 | 115.6 | 169.2 | 54.8 | 0 | 0 | 0 | 0 | 108 | T9 | T9-T11 PolarHBondContact O-N 3.24Š|
| 12 | G | 65.4 | Low | 65.5 | Low | 76 Ų | 76 | 129.5 Ų | 129.5 | 78% | 0.784 | 78% | 0.784 | S | S | * | * | | | trans | 174.2 | -5.2 | -176 | 0 | 0 | 0 | 0 | 0 | 117.7 | | |
| 13 | S | 64 | Low | 65.6 | Low | 117 Ų | 117 | 131.5 Ų | 131.5 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | | | trans | -95 | 116.4 | -179.8 | -58.6 | 0 | 0 | 0 | 0 | 110.5 | A15 | S13-A15 PolarHBondContact O-N 3.32Å; S13-A15 VanDerWaalsContact O-N 3.12Å |
| 14 | K | 65.9 | Low | 65 | Low | 203 Ų | 203 | 132 Ų | 132 | 88% | 0.883 | 79% | 0.789 | S | S | * | * | | | trans | -47.4 | 121.7 | 161.9 | -68.1 | -75.5 | -176.8 | 177.5 | 0 | 107.3 | C16 | K14-C16 PolarHBondContact O-N 3.43Š|
| 15 | A | 64.4 | Low | 64.4 | Low | 102 Ų | 102 | 133 Ų | 133 | 84% | 0.843 | 79% | 0.785 | S | S | * | * | | | trans | -62.4 | 99.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | S13 K17 | S13-A15 PolarHBondContact O-N 3.32Å; S13-A15 VanDerWaalsContact O-N 3.12Å; A15-K17 PolarHBondContact O-N 3.1Å |
| 16 | C | 59.3 | Low | 63.8 | Low | 110 Ų | 110 | 131.7 Ų | 131.7 | 74% | 0.743 | 78% | 0.777 | S | S | * | * | | | trans | -66.7 | 129.8 | 170.4 | -173.9 | 0 | 0 | 0 | 0 | 107.8 | K14 T18 | K14-C16 PolarHBondContact O-N 3.43Å; C16-T18 PolarHBondContact O-N 2.95Å |
| 17 | K | 67.4 | Low | 62.9 | Low | 204 Ų | 204 | 131.5 Ų | 131.5 | 89% | 0.887 | 77% | 0.772 | S | S | * | * | | | trans | -67.6 | 93.9 | 177.2 | -77.2 | -177 | 178.6 | 177.9 | 0 | 109.1 | A15 | A15-K17 PolarHBondContact O-N 3.1Š|
| 18 | T | 63.3 | Low | 62.5 | Low | 109 Ų | 109 | 133.3 Ų | 133.3 | 67% | 0.669 | 78% | 0.777 | S | S | * | * | | | trans | -78.9 | 116.9 | 169.9 | 58.2 | 0 | 0 | 0 | 0 | 109.5 | C16 R20 | C16-T18 PolarHBondContact O-N 2.95Å; T18-R20 PolarHBondContact O-N 2.93Å; T18-R20 VanDerWaalsContact O-N 3.1Å |
| 19 | T | 62.8 | Low | 62.1 | Low | 143 Ų | 143 | 138.4 Ų | 138.4 | 88% | 0.877 | 78% | 0.78 | S | S | * | * | | | trans | -78.5 | 86.5 | 166.3 | 48.8 | 0 | 0 | 0 | 0 | 108.8 | K21 | T19-K21 PolarHBondContact O-N 2.88Š|
| 20 | R | 58.3 | Low | 62.1 | Low | 160 Ų | 160 | 141.4 Ų | 141.4 | 60% | 0.604 | 79% | 0.791 | S | S | * | * | | | trans | -80.5 | 111.8 | 174.8 | -152.2 | 179.1 | -174.4 | -149.5 | 1.3 | 108.2 | T18 S22 | T18-R20 PolarHBondContact O-N 2.93Å; T18-R20 VanDerWaalsContact O-N 3.1Å; R20-S22 PolarHBondContact O-N 3.21Å |
| 21 | K | 60.3 | Low | 61.7 | Low | 211 Ų | 211 | 141.1 Ų | 141.1 | 92% | 0.917 | 79% | 0.788 | S | S | * | * | | | trans | -77.6 | 99.7 | 157.2 | -67 | -77.7 | -175.1 | 175.2 | 0 | 104.7 | T19 | T19-K21 PolarHBondContact O-N 2.88Š|
| 22 | S | 57.2 | Low | 61.3 | Low | 76 Ų | 76 | 146.8 Ų | 146.8 | 53% | 0.531 | 79% | 0.794 | S | S | . | * | | | trans | -106.4 | 107.9 | 177.7 | 25.9 | 0 | 0 | 0 | 0 | 108.9 | R20 | R20-S22 PolarHBondContact O-N 3.21Š|
| 23 | D | 62.2 | Low | 60.9 | Low | 164 Ų | 164 | 152.6 Ų | 152.6 | 88% | 0.877 | 80% | 0.798 | S | S | * | * | | | trans | -53.8 | 138.3 | 145.9 | -74 | -49.1 | 0 | 0 | 0 | 108.2 | S25 | D23-S25 PolarHBondContact O-N 3.09Å; D23-S25 VanDerWaalsContact O-N 3.13Å |
| 24 | S | 58 | Low | 60.6 | Low | 129 Ų | 129 | 152.5 Ų | 152.5 | 90% | 0.902 | 80% | 0.797 | S | S | * | * | S | Bend | trans | -56.4 | 109.3 | -161.6 | -159.5 | 0 | 0 | 0 | 0 | 113.2 | | |
| 25 | S | 61.8 | Low | 60.5 | Low | 86 Ų | 86 | 151.1 Ų | 151.1 | 60% | 0.601 | 80% | 0.799 | S | S | * | * | S | Bend | trans | -171 | 105.6 | 143.7 | -169.8 | 0 | 0 | 0 | 0 | 111.3 | D23 | D23-S25 PolarHBondContact O-N 3.09Å; D23-S25 VanDerWaalsContact O-N 3.13Å |
| 26 | I | 62.3 | Low | 60.1 | Low | 146 Ų | 146 | 154.8 Ų | 154.8 | 75% | 0.749 | 80% | 0.796 | S | S | * | * | | | trans | 56.4 | 81.2 | 153.7 | -44.8 | 174 | 0 | 0 | 0 | 116.5 | | |
| 27 | E | 52.5 | Low | 60.2 | Low | 146 Ų | 146 | 161.2 Ų | 161.2 | 68% | 0.682 | 81% | 0.805 | S | S | * | * | | | trans | -132.8 | 84.8 | 142 | -77.1 | -88.7 | 124.8 | 0 | 0 | 106.4 | R29 | E27-R29 PolarHBondContact O-N 3.13Š|
| 28 | Q | 59.3 | Low | 59.5 | Low | 180 Ų | 180 | 161.5 Ų | 161.5 | 84% | 0.841 | 81% | 0.814 | S | S | * | * | | | trans | -72.3 | 82.7 | 170.1 | -78 | -169.6 | -23.9 | 0 | 0 | 108.9 | L30 | Q28-L30 VanDerWaalsContact C-N 3.32Å; Q28-L30 PolarHBondContact O-N 3.47Å |
| 29 | R | 57.8 | Low | 59.4 | Low | 221 Ų | 221 | 164.2 Ų | 164.2 | 83% | 0.834 | 82% | 0.821 | S | S | * | * | | | trans | -72 | 89.3 | 170.8 | -128.2 | 172 | 86.6 | 171.1 | 6.1 | 108.8 | E27 G31 | E27-R29 PolarHBondContact O-N 3.13Å; R29-G31 PolarHBondContact O-N 3.31Å |
| 30 | L | 66.6 | Low | 59.2 | Low | 170 Ų | 170 | 165.3 Ų | 165.3 | 89% | 0.89 | 82% | 0.818 | S | S | * | * | | | trans | -61.4 | 115.4 | 166.6 | -72.8 | 169.1 | 0 | 0 | 0 | 108.7 | Q28 | Q28-L30 VanDerWaalsContact C-N 3.32Å; Q28-L30 PolarHBondContact O-N 3.47Å |
| 31 | G | 57.8 | Low | 59.2 | Low | 76 Ų | 76 | 165.6 Ų | 165.6 | 78% | 0.784 | 83% | 0.83 | S | S | * | * | | | trans | 163.4 | 54 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | R29 | R29-G31 PolarHBondContact O-N 3.31Š|
| 32 | R | 61.3 | Low | 59.2 | Low | 253 Ų | 253 | 162.9 Ų | 162.9 | 96% | 0.955 | 83% | 0.825 | S | S | * | * | | | trans | -99.5 | 97.3 | 163.3 | -85.9 | -170.5 | -93.3 | 178.2 | -6.5 | 109.3 | | |
| 33 | K | 56.3 | Low | 59.3 | Low | 198 Ų | 198 | 168.3 Ų | 168.3 | 86% | 0.861 | 84% | 0.844 | S | S | * | * | | | trans | -147.9 | 102 | 152.8 | -82.4 | -161.8 | 178.6 | -177.3 | 0 | 109.4 | | |
| 34 | S | 57.3 | Low | 59.1 | Low | 116 Ų | 116 | 168.6 Ų | 168.6 | 81% | 0.811 | 84% | 0.841 | S | S | * | * | | | | 176.2 | 103.1 | 122.4 | 24.8 | 0 | 0 | 0 | 0 | 108.5 | K36 | S34-K36 PolarHBondContact O-N 3.33Å; S34-K36 VanDerWaalsContact O-N 3.09Å |
| 35 | D | 63.6 | Low | 59.2 | Low | 173 Ų | 173 | 171.4 Ų | 171.4 | 93% | 0.925 | 84% | 0.837 | S | S | * | * | | | trans | -60.4 | 105.8 | 161.6 | -67.2 | -65.8 | 0 | 0 | 0 | 108.1 | | |
| 36 | K | 57.6 | Low | 59 | Low | 179 Ų | 179 | 178 Ų | 178 | 78% | 0.778 | 86% | 0.855 | S | S | * | * | | | trans | -103.6 | 91.5 | 163.7 | -159.2 | 176.8 | -176.1 | -178.8 | 0 | 108.4 | S34 I38 | S34-K36 PolarHBondContact O-N 3.33Å; S34-K36 VanDerWaalsContact O-N 3.09Å; K36-I38 HydrophobicContact CG-CG1 4.47Å; K36-I38 PolarHBondContact O-N 3.38Å |
| 37 | R | 60.9 | Low | 58.7 | Low | 245 Ų | 245 | 180.7 Ų | 180.7 | 93% | 0.925 | 86% | 0.864 | S | S | * | * | | | trans | -58.5 | 116.9 | 165.1 | -162.3 | -176.5 | -164.9 | -156.7 | 3.8 | 108.3 | | |
| 38 | I | 53.3 | Low | 59.3 | Low | 211 Ų | 211 | 183.8 Ų | 183.8 | 100% | 1.082 | 88% | 0.88 | S | S | * | * | | | trans | -131.1 | 0 | 159.6 | -57.6 | 177.8 | 0 | 0 | 0 | 105.6 | K36 | K36-I38 HydrophobicContact CG-CG1 4.47Å; K36-I38 PolarHBondContact O-N 3.38Å |