| 1 | M | 61.9 | Low | 69 | Low | 217 Ų | 217 | 176.5 Ų | 176.5 | 100% | 1.069 | 87% | 0.872 | S | S | * | * | | | | 0 | 122.8 | 0 | -82.4 | 158.7 | 160.6 | 0 | 0 | 108.2 | | |
| 2 | M | 69.5 | Low | 68.5 | Low | 189 Ų | 189 | 169.7 Ų | 169.7 | 93% | 0.931 | 86% | 0.864 | S | S | * | * | | | trans | -97.5 | 119.3 | 175 | -62.4 | -170.3 | -108.4 | 0 | 0 | 108.1 | L4 | M2-L4 PolarHBondContact O-N 3.31Š|
| 3 | W | 71 | Confident | 67.8 | Low | 229 Ų | 229 | 169.1 Ų | 169.1 | 87% | 0.867 | 86% | 0.855 | S | S | * | * | | | trans | -84.3 | 110.1 | 177 | -62.2 | 99.3 | 0 | 0 | 0 | 109 | R5 | W3-R5 PolarHBondContact O-N 2.94Š|
| 4 | L | 77.5 | Confident | 67.2 | Low | 171 Ų | 171 | 164.1 Ų | 164.1 | 90% | 0.895 | 84% | 0.844 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 123.8 | 169.8 | -69.1 | 169.9 | 0 | 0 | 0 | 108.3 | M2 | M2-L4 PolarHBondContact O-N 3.31Š|
| 5 | R | 76.1 | Confident | 66.6 | Low | 229 Ų | 229 | 157.9 Ų | 157.9 | 86% | 0.864 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -74.4 | 141.8 | 174.8 | -59 | -173.2 | -154.9 | 172.8 | 7.1 | 109.2 | W3 L7 | W3-R5 PolarHBondContact O-N 2.94Å; R5-L7 PolarHBondContact O-N 3.38Å |
| 6 | P | 70.1 | Confident | 66.3 | Low | 126 Ų | 126 | 156.4 Ų | 156.4 | 82% | 0.818 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 126 | 172.9 | -13.9 | 26.4 | 0 | 0 | 0 | 109.3 | K8 | P6-K8 PolarHBondContact O-N 2.8Š|
| 7 | L | 74.5 | Confident | 66 | Low | 170 Ų | 170 | 157.2 Ų | 157.2 | 89% | 0.89 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -65 | 125.6 | 166.8 | -68.4 | 170.8 | 0 | 0 | 0 | 107.1 | R5 | R5-L7 PolarHBondContact O-N 3.38Š|
| 8 | K | 71.9 | Confident | 65.9 | Low | 194 Ų | 194 | 153.1 Ų | 153.1 | 84% | 0.843 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -55.4 | 131.8 | 179.2 | -151.4 | 175.8 | -176.2 | 172.5 | 0 | 107.8 | P6 Q10 | P6-K8 PolarHBondContact O-N 2.8Å; K8-Q10 PolarHBondContact O-N 2.94Å |
| 9 | P | 63.3 | Low | 65.9 | Low | 116 Ų | 116 | 150 Ų | 150 | 75% | 0.753 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 123.1 | 174.3 | 25.1 | -30.9 | 0 | 0 | 0 | 106.5 | S11 | P9-S11 PolarHBondContact O-N 2.98Š|
| 10 | Q | 63.2 | Low | 66 | Low | 194 Ų | 194 | 149 Ų | 149 | 91% | 0.907 | 80% | 0.795 | S | S | * | * | | | trans | -61.2 | 93.9 | 168.3 | -172.5 | 166.2 | 17.4 | 0 | 0 | 104.9 | K8 A12 | K8-Q10 PolarHBondContact O-N 2.94Å; Q10-A12 VanDerWaalsContact C-N 3.33Å; Q10-A12 PolarHBondContact O-N 2.83Å |
| 11 | S | 60.3 | Low | 66.1 | Low | 107 Ų | 107 | 149 Ų | 149 | 75% | 0.748 | 79% | 0.794 | S | S | * | * | | | trans | -55 | 109.1 | 172.9 | -154.7 | 0 | 0 | 0 | 0 | 104 | P9 E13 | P9-S11 PolarHBondContact O-N 2.98Å; S11-E13 PolarHBondContact O-N 2.76Å |
| 12 | A | 63.1 | Low | 66.6 | Low | 94 Ų | 94 | 147.5 Ų | 147.5 | 78% | 0.777 | 78% | 0.782 | S | S | * | * | | | trans | -64.1 | 81.7 | 170.2 | 0 | 0 | 0 | 0 | 0 | 105.2 | Q10 S14 | Q10-A12 VanDerWaalsContact C-N 3.33Å; Q10-A12 PolarHBondContact O-N 2.83Å; A12-S14 PolarHBondContact O-N 2.86Å |
| 13 | E | 58.5 | Low | 66.6 | Low | 162 Ų | 162 | 144.5 Ų | 144.5 | 76% | 0.757 | 78% | 0.776 | S | S | * | * | | | trans | -68.5 | 73.1 | 158.8 | -161.7 | 176.7 | 98.9 | 0 | 0 | 104.2 | S11 S15 | S11-E13 PolarHBondContact O-N 2.76Å; E13-S15 PolarHBondContact O-N 2.83Å |
| 14 | S | 59.3 | Low | 66.5 | Low | 99 Ų | 99 | 144.2 Ų | 144.2 | 69% | 0.692 | 78% | 0.775 | S | S | * | * | | | trans | -60.9 | 86.2 | 149.8 | -161.5 | 0 | 0 | 0 | 0 | 102.8 | A12 D16 | A12-S14 PolarHBondContact O-N 2.86Å; S14-D16 PolarHBondContact O-N 2.73Å |
| 15 | S | 58.1 | Low | 66.1 | Low | 72 Ų | 72 | 147.4 Ų | 147.4 | 50% | 0.503 | 78% | 0.775 | S | S | . | * | | | trans | -58.9 | 84 | 160.7 | -90.8 | 0 | 0 | 0 | 0 | 104.2 | E13 Q17 | E13-S15 PolarHBondContact O-N 2.83Å; S15-Q17 PolarHBondContact O-N 2.83Å |
| 16 | D | 62.7 | Low | 65.9 | Low | 134 Ų | 134 | 141.5 Ų | 141.5 | 72% | 0.717 | 77% | 0.765 | S | S | * | * | | | trans | -66.4 | 63.4 | 155.5 | -147.7 | -74.4 | 0 | 0 | 0 | 105.3 | S14 S18 | S14-D16 PolarHBondContact O-N 2.73Å; D16-S18 PolarHBondContact O-N 2.8Å |
| 17 | Q | 61.4 | Low | 65.5 | Low | 169 Ų | 169 | 140.6 Ų | 140.6 | 79% | 0.79 | 76% | 0.759 | S | S | * | * | | | trans | -71.5 | 70.2 | 157.1 | -78.9 | -158.7 | 4 | 0 | 0 | 105 | S15 P19 | S15-Q17 PolarHBondContact O-N 2.83Å; Q17-P19 WeakPolarHBondContact O-CD 3.48Å; Q17-P19 VanDerWaalsContact O-N 3.08Å |
| 18 | S | 64.4 | Low | 65.1 | Low | 83 Ų | 83 | 137.8 Ų | 137.8 | 58% | 0.58 | 75% | 0.754 | S | S | * | * | | | trans | -45.7 | 117.8 | 161.5 | -172.6 | 0 | 0 | 0 | 0 | 105.6 | D16 C20 | D16-S18 PolarHBondContact O-N 2.8Å; S18-C20 PolarHBondContact O-N 2.93Å |
| 19 | P | 64.6 | Low | 64.7 | Low | 95 Ų | 95 | 139 Ų | 139 | 62% | 0.617 | 75% | 0.753 | S | S | * | * | | | trans | -58.5 | 118.4 | -179.3 | 22.2 | -30.8 | 0 | 0 | 0 | 106.4 | Q17 L21 | Q17-P19 WeakPolarHBondContact O-CD 3.48Å; Q17-P19 VanDerWaalsContact O-N 3.08Å; P19-L21 HydrophobicContact CB-CD2 4.4Å; P19-L21 PolarHBondContact O-N 2.82Å |
| 20 | C | 68.8 | Low | 64.6 | Low | 129 Ų | 129 | 138.8 Ų | 138.8 | 87% | 0.872 | 75% | 0.751 | S | S | * | * | | | trans | -62.2 | 84.9 | 169.2 | -92.7 | 0 | 0 | 0 | 0 | 107.3 | S18 K22 | S18-C20 PolarHBondContact O-N 2.93Å; C20-K22 VanDerWaalsContact C-N 3.33Å; C20-K22 PolarHBondContact O-N 2.69Å |
| 21 | L | 68.8 | Low | 64.7 | Low | 150 Ų | 150 | 138.4 Ų | 138.4 | 79% | 0.785 | 75% | 0.75 | S | S | * | * | | | trans | -65.7 | 100 | 172.4 | -65.6 | -180 | 0 | 0 | 0 | 105.7 | P19 | P19-L21 HydrophobicContact CB-CD2 4.4Å; P19-L21 PolarHBondContact O-N 2.82Å |
| 22 | K | 71.4 | Confident | 64.6 | Low | 186 Ų | 186 | 137.6 Ų | 137.6 | 81% | 0.809 | 74% | 0.744 | S | S | * | * | | | trans | -50.5 | 134.4 | 170.3 | -69.8 | 176.2 | 179.6 | 174 | 0 | 107.3 | C20 R24 | C20-K22 VanDerWaalsContact C-N 3.33Å; C20-K22 PolarHBondContact O-N 2.69Å; K22-R24 PolarHBondContact O-N 2.9Å |
| 23 | P | 70 | Confident | 64.6 | Low | 126 Ų | 126 | 138.3 Ų | 138.3 | 82% | 0.818 | 74% | 0.74 | S | S | * | * | | | trans | -52.8 | 116.5 | 170.4 | -22.1 | 31.3 | 0 | 0 | 0 | 107.4 | R25 | P23-R25 VanDerWaalsContact C-N 3.27Å; P23-R25 PolarHBondContact O-N 2.94Å |
| 24 | R | 69.6 | Low | 65 | Low | 223 Ų | 223 | 136.2 Ų | 136.2 | 84% | 0.842 | 74% | 0.739 | S | S | * | * | | | trans | -63.5 | 98.4 | 174.9 | -176.1 | 175.1 | 178.7 | -124.2 | 2.7 | 105.4 | K22 T26 | K22-R24 PolarHBondContact O-N 2.9Å; R24-T26 VanDerWaalsContact C-N 3.31Å; R24-T26 PolarHBondContact O-N 2.84Å |
| 25 | R | 68.1 | Low | 65.2 | Low | 238 Ų | 238 | 140.1 Ų | 140.1 | 90% | 0.898 | 75% | 0.746 | S | S | * | * | | | trans | -57 | 104.1 | 173.1 | -152.6 | 172.4 | -179 | 165.7 | -0.6 | 104.4 | P23 | P23-R25 VanDerWaalsContact C-N 3.27Å; P23-R25 PolarHBondContact O-N 2.94Å |
| 26 | T | 71.5 | Confident | 65.3 | Low | 104 Ų | 104 | 141.7 Ų | 141.7 | 64% | 0.638 | 76% | 0.757 | S | S | * | * | | | trans | -50.8 | 130.2 | 174.9 | 43.4 | 0 | 0 | 0 | 0 | 105.9 | R24 S28 | R24-T26 VanDerWaalsContact C-N 3.31Å; R24-T26 PolarHBondContact O-N 2.84Å; T26-S28 VanDerWaalsContact C-N 3.33Å; T26-S28 PolarHBondContact O-N 2.77Å |
| 27 | P | 61.4 | Low | 65.2 | Low | 107 Ų | 107 | 139.9 Ų | 139.9 | 70% | 0.695 | 76% | 0.755 | S | S | * | * | | | trans | -56.6 | 111.5 | 168.1 | 23.2 | -28.9 | 0 | 0 | 0 | 104.7 | R29 | P27-R29 VanDerWaalsContact C-N 3.34Å; P27-R29 PolarHBondContact O-N 2.73Å |
| 28 | S | 66.3 | Low | 65.4 | Low | 112 Ų | 112 | 137.7 Ų | 137.7 | 78% | 0.783 | 75% | 0.753 | S | S | * | * | | | trans | -50.4 | 112.8 | 167.3 | -61.5 | 0 | 0 | 0 | 0 | 103.9 | T26 P30 | T26-S28 VanDerWaalsContact C-N 3.33Å; T26-S28 PolarHBondContact O-N 2.77Å; S28-P30 VanDerWaalsContact O-N 3.14Å |
| 29 | R | 63.8 | Low | 65.3 | Low | 219 Ų | 219 | 139 Ų | 139 | 83% | 0.826 | 76% | 0.757 | S | S | * | * | | | trans | -37.4 | 125.9 | 175 | 173.2 | 177.4 | 170.5 | 176.9 | -2.9 | 106.2 | P27 E31 | P27-R29 VanDerWaalsContact C-N 3.34Å; P27-R29 PolarHBondContact O-N 2.73Å; R29-E31 PolarHBondContact O-N 2.86Å |
| 30 | P | 60.6 | Low | 65.3 | Low | 111 Ų | 111 | 146 Ų | 146 | 72% | 0.721 | 77% | 0.771 | S | S | * | * | | | trans | -56 | 115.1 | 173 | 23.6 | -29.5 | 0 | 0 | 0 | 104.1 | S28 S32 | S28-P30 VanDerWaalsContact O-N 3.14Å; P30-S32 PolarHBondContact O-N 2.78Å |
| 31 | E | 65.8 | Low | 65 | Low | 187 Ų | 187 | 147.8 Ų | 147.8 | 87% | 0.874 | 77% | 0.767 | S | S | * | * | | | trans | -59.8 | 94.9 | 161.2 | -79.3 | -157.3 | 90 | 0 | 0 | 103.3 | R29 P33 | R29-E31 PolarHBondContact O-N 2.86Å; E31-P33 WeakPolarHBondContact O-CD 3.41Å; E31-P33 VanDerWaalsContact O-N 3.1Å |
| 32 | S | 57.8 | Low | 64.5 | Low | 90 Ų | 90 | 155.9 Ų | 155.9 | 63% | 0.629 | 79% | 0.787 | S | S | * | * | | | trans | -51.1 | 121.1 | 169.7 | 177.9 | 0 | 0 | 0 | 0 | 104.2 | P30 V34 | P30-S32 PolarHBondContact O-N 2.78Å; S32-V34 PolarHBondContact O-N 2.78Å; S32-V34 VanDerWaalsContact C-N 3.34Å |
| 33 | P | 62.8 | Low | 64.2 | Low | 108 Ų | 108 | 154.4 Ų | 154.4 | 70% | 0.701 | 79% | 0.786 | S | S | * | * | | | trans | -57.8 | 111.1 | 172.4 | 23.3 | -30.1 | 0 | 0 | 0 | 104.6 | E31 Q35 | E31-P33 WeakPolarHBondContact O-CD 3.41Å; E31-P33 VanDerWaalsContact O-N 3.1Å; P33-Q35 PolarHBondContact O-N 2.7Å |
| 34 | V | 68.1 | Low | 63.9 | Low | 119 Ų | 119 | 155.8 Ų | 155.8 | 72% | 0.721 | 78% | 0.784 | S | S | * | * | | | trans | -61 | 100 | 175.2 | 177 | 0 | 0 | 0 | 0 | 104.4 | S32 S36 | S32-V34 PolarHBondContact O-N 2.78Å; S32-V34 VanDerWaalsContact C-N 3.34Å; V34-S36 WeakPolarHBondContact CG1-OG 3.42Å; V34-S36 PolarHBondContact O-N 2.78Å |
| 35 | Q | 64.1 | Low | 63.6 | Low | 180 Ų | 180 | 152.1 Ų | 152.1 | 84% | 0.841 | 78% | 0.781 | S | S | * | * | | | trans | -68.5 | 76 | 164.5 | -72.6 | -168.4 | -34.9 | 0 | 0 | 105.9 | P33 S37 | P33-Q35 PolarHBondContact O-N 2.7Å; Q35-S37 PolarHBondContact O-N 3.06Å |
| 36 | S | 60.1 | Low | 63.3 | Low | 106 Ų | 106 | 147.1 Ų | 147.1 | 74% | 0.741 | 77% | 0.774 | S | S | * | * | | | trans | -70.8 | 94.7 | 162.7 | -84 | 0 | 0 | 0 | 0 | 105.6 | V34 T38 | V34-S36 WeakPolarHBondContact CG1-OG 3.42Å; V34-S36 PolarHBondContact O-N 2.78Å; S36-T38 PolarHBondContact O-N 3.32Å |
| 37 | S | 59 | Low | 62.8 | Low | 96 Ų | 96 | 149.8 Ų | 149.8 | 67% | 0.671 | 78% | 0.783 | S | S | * | * | | | trans | -37.5 | 127.8 | 175.6 | -67.7 | 0 | 0 | 0 | 0 | 111.6 | Q35 V39 | Q35-S37 PolarHBondContact O-N 3.06Å; S37-V39 WeakPolarHBondContact O-CG2 3.46Å; S37-V39 PolarHBondContact O-N 3.26Å |
| 38 | T | 67.1 | Low | 62.9 | Low | 123 Ų | 123 | 152.6 Ų | 152.6 | 76% | 0.755 | 79% | 0.789 | S | S | * | * | | | trans | -34.3 | 106 | 155.4 | -51.6 | 0 | 0 | 0 | 0 | 110.7 | S36 | S36-T38 PolarHBondContact O-N 3.32Š|
| 39 | V | 62.4 | Low | 62.7 | Low | 109 Ų | 109 | 155.5 Ų | 155.5 | 66% | 0.661 | 79% | 0.789 | S | S | * | * | | | trans | -129.5 | 76.8 | 158.3 | -151.7 | 0 | 0 | 0 | 0 | 107.1 | S37 Q41 | S37-V39 WeakPolarHBondContact O-CG2 3.46Å; S37-V39 PolarHBondContact O-N 3.26Å; V39-Q41 HydrophobicContact CB-CG 4.46Å; V39-Q41 HydrophobicContact CG1-CG 3.53Å; V39-Q41 PolarHBondContact O-N 3.47Å |
| 40 | W | 63.7 | Low | 62.6 | Low | 242 Ų | 242 | 150.6 Ų | 150.6 | 92% | 0.917 | 79% | 0.786 | S | S | * | * | | | trans | -67.8 | 90.1 | 154.8 | -66.8 | 95.9 | 0 | 0 | 0 | 105.6 | R42 | W40-R42 PolarHBondContact O-N 3.47Š|
| 41 | Q | 63.1 | Low | 62.7 | Low | 168 Ų | 168 | 153.9 Ų | 153.9 | 79% | 0.785 | 79% | 0.792 | S | S | * | * | | | trans | -70.7 | 116 | 169.4 | -75.4 | -155.4 | 75.2 | 0 | 0 | 108 | V39 | V39-Q41 HydrophobicContact CB-CG 4.46Å; V39-Q41 HydrophobicContact CG1-CG 3.53Å; V39-Q41 PolarHBondContact O-N 3.47Å |
| 42 | R | 59.1 | Low | 62.5 | Low | 319 Ų | 319 | 150.9 Ų | 150.9 | 100% | 1.204 | 78% | 0.784 | S | S | * | * | | | trans | 27.2 | 0 | 161.9 | -74.4 | -174.3 | -129.1 | -170.2 | 1.6 | 118.8 | W40 | W40-R42 PolarHBondContact O-N 3.47Š|