| 1 | M | 64.7 | Low | 76.1 | Confident | 246 Ų | 246 | 173.5 Ų | 173.5 | 100% | 1.212 | 86% | 0.86 | S | S | * | * | | | | 0 | 82.3 | 0 | -148.9 | 132.5 | 81.5 | 0 | 0 | 107.9 | G3 | M1-G3 PolarHBondContact O-N 3.17Š|
| 2 | S | 66.9 | Low | 76.3 | Confident | 123 Ų | 123 | 169.3 Ų | 169.3 | 86% | 0.86 | 84% | 0.842 | S | S | * | * | | | trans | -78 | 96.5 | -179.3 | 30.8 | 0 | 0 | 0 | 0 | 109 | L4 | S2-L4 PolarHBondContact O-N 2.97Š|
| 3 | G | 73.6 | Confident | 76.3 | Confident | 74 Ų | 74 | 169.8 Ų | 169.8 | 76% | 0.763 | 84% | 0.841 | S | S | * | * | | | trans | -80.8 | 105.4 | -177.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | M1 S5 | M1-G3 PolarHBondContact O-N 3.17Å; G3-S5 PolarHBondContact O-N 3.44Å |
| 4 | L | 79.1 | Confident | 75.9 | Confident | 140 Ų | 140 | 171.1 Ų | 171.1 | 73% | 0.733 | 83% | 0.834 | S | S | * | * | | | trans | -74.3 | 107.4 | 163.5 | -65.8 | 172.7 | 0 | 0 | 0 | 108.5 | S2 F6 | S2-L4 PolarHBondContact O-N 2.97Å; L4-F6 PolarHBondContact O-N 3.27Å; L4-F6 HydrophobicContact CG-CE2 4.3Å; L4-F6 HydrophobicContact CD1-CZ 3.96Å; L4-F6 HydrophobicContact CD1-CE2 3.93Å; L4-F6 HydrophobicContact CB-CZ 4.02Å; L4-F6 VanDerWaalsContact CB-CE2 3.45Å; L4-F6 HydrophobicContact CB-CE2 3.45Å; L4-F6 HydrophobicContact CB-CD2 4.04Å |
| 5 | S | 79.6 | Confident | 75.2 | Confident | 117 Ų | 117 | 165.3 Ų | 165.3 | 82% | 0.818 | 82% | 0.824 | S | S | * | * | | | trans | -82.2 | 102.4 | 170.4 | 167.1 | 0 | 0 | 0 | 0 | 109.1 | G3 | G3-S5 PolarHBondContact O-N 3.44Š|
| 6 | F | 75 | Confident | 74.4 | Confident | 162 Ų | 162 | 163.4 Ų | 163.4 | 71% | 0.711 | 82% | 0.818 | S | S | * | * | | | trans | -90.1 | 133.4 | 172 | -69.3 | -79 | 0 | 0 | 0 | 110.6 | L4 R8 | L4-F6 PolarHBondContact O-N 3.27Å; L4-F6 HydrophobicContact CG-CE2 4.3Å; L4-F6 HydrophobicContact CD1-CZ 3.96Å; L4-F6 HydrophobicContact CD1-CE2 3.93Å; L4-F6 HydrophobicContact CB-CZ 4.02Å; L4-F6 VanDerWaalsContact CB-CE2 3.45Å; L4-F6 HydrophobicContact CB-CE2 3.45Å; L4-F6 HydrophobicContact CB-CD2 4.04Å; F6-R8 PolarHBondContact O-N 3.02Å |
| 7 | P | 80.4 | Confident | 73.6 | Confident | 111 Ų | 111 | 156.9 Ų | 156.9 | 72% | 0.721 | 80% | 0.802 | S | S | * | * | | | trans | -57.4 | 136.5 | 177 | -22.5 | 31.7 | 0 | 0 | 0 | 111.7 | R9 | P7-R9 PolarHBondContact O-N 3.34Š|
| 8 | R | 81.7 | Confident | 72.9 | Confident | 249 Ų | 249 | 156.7 Ų | 156.7 | 94% | 0.94 | 80% | 0.801 | S | S | * | * | | | trans | -61.5 | 103 | 175.7 | -172.1 | 175.9 | -174.6 | 172.2 | 1.8 | 109.6 | F6 R10 | F6-R8 PolarHBondContact O-N 3.02Å; R8-R10 PolarHBondContact O-N 3.45Å |
| 9 | R | 78.6 | Confident | 72.2 | Confident | 238 Ų | 238 | 154.7 Ų | 154.7 | 90% | 0.898 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 128 | 176.7 | -66.4 | -174.3 | 174.2 | -167.2 | -1.9 | 109.8 | P7 | P7-R9 PolarHBondContact O-N 3.34Š|
| 10 | R | 78.6 | Confident | 71.4 | Confident | 240 Ų | 240 | 154.5 Ų | 154.5 | 91% | 0.906 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 139.8 | 166 | -66.3 | -171.5 | -65.4 | 176.4 | 0.2 | 108.6 | R8 L12 | R8-R10 PolarHBondContact O-N 3.45Å; R10-L12 PolarHBondContact O-N 2.92Å |
| 11 | K | 78.5 | Confident | 70.6 | Confident | 208 Ų | 208 | 150.6 Ų | 150.6 | 90% | 0.904 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 118 | 171.3 | -67.1 | -172.3 | -178.6 | -177.1 | 0 | 107.9 | Q13 | K11-Q13 PolarHBondContact O-N 2.97Š|
| 12 | L | 78.3 | Confident | 70.2 | Confident | 123 Ų | 123 | 144.7 Ų | 144.7 | 64% | 0.644 | 76% | 0.762 | S | S | * | * | | | trans | -78.5 | 99.4 | 171.6 | -173.5 | 58.7 | 0 | 0 | 0 | 107.2 | R10 Y14 | R10-L12 PolarHBondContact O-N 2.92Å; L12-Y14 PolarHBondContact O-N 2.97Å; L12-Y14 HydrophobicContact CG-CE2 3.72Å; L12-Y14 HydrophobicContact CG-CE1 4.09Å; L12-Y14 HydrophobicContact CG-CD2 4.14Å; L12-Y14 HydrophobicContact CG-CD1 4.47Å; L12-Y14 HydrophobicContact CD2-CE2 3.51Å; L12-Y14 HydrophobicContact CD2-CE1 3.76Å; L12-Y14 HydrophobicContact CD2-CD2 4.39Å; L12-Y14 HydrophobicContact CB-CE2 4.36Å; L12-Y14 WeakPolarHBondContact CD2-OH 3.07Å |
| 13 | Q | 76.3 | Confident | 69.8 | Low | 176 Ų | 176 | 144.1 Ų | 144.1 | 82% | 0.822 | 75% | 0.753 | S | S | * | * | | | trans | -81 | 97.9 | 170.7 | -177 | 172.6 | -30.6 | 0 | 0 | 107.5 | K11 A15 | K11-Q13 PolarHBondContact O-N 2.97Å; Q13-A15 PolarHBondContact O-N 3.35Å; Q13-A15 VanDerWaalsContact O-N 3.15Å |
| 14 | Y | 71.8 | Confident | 68.9 | Low | 189 Ų | 189 | 145.1 Ų | 145.1 | 74% | 0.741 | 75% | 0.745 | S | S | * | * | | | trans | -67.7 | 109.1 | 163.3 | -64 | -79.4 | 0 | 0 | 0 | 107.1 | L12 | L12-Y14 PolarHBondContact O-N 2.97Å; L12-Y14 HydrophobicContact CG-CE2 3.72Å; L12-Y14 HydrophobicContact CG-CE1 4.09Å; L12-Y14 HydrophobicContact CG-CD2 4.14Å; L12-Y14 HydrophobicContact CG-CD1 4.47Å; L12-Y14 HydrophobicContact CD2-CE2 3.51Å; L12-Y14 HydrophobicContact CD2-CE1 3.76Å; L12-Y14 HydrophobicContact CD2-CD2 4.39Å; L12-Y14 HydrophobicContact CB-CE2 4.36Å; L12-Y14 WeakPolarHBondContact CD2-OH 3.07Å |
| 15 | A | 65.3 | Low | 67.9 | Low | 84 Ų | 84 | 144.3 Ų | 144.3 | 69% | 0.694 | 75% | 0.75 | S | S | * | * | | | trans | -65.5 | 137.4 | 170.4 | 0 | 0 | 0 | 0 | 0 | 108.9 | Q13 G17 | Q13-A15 PolarHBondContact O-N 3.35Å; Q13-A15 VanDerWaalsContact O-N 3.15Å; A15-G17 VanDerWaalsContact C-N 3.26Å; A15-G17 PolarHBondContact O-N 3.29Å |
| 16 | N | 61.9 | Low | 66.9 | Low | 135 Ų | 135 | 146.2 Ų | 146.2 | 72% | 0.722 | 75% | 0.746 | S | S | * | * | | | trans | -54.7 | 82.7 | 174 | -78.7 | -16.4 | 0 | 0 | 0 | 111.2 | I18 | N16-I18 VanDerWaalsContact C-N 3.35Š|
| 17 | G | 60.5 | Low | 66.4 | Low | 53 Ų | 53 | 149.2 Ų | 149.2 | 55% | 0.546 | 75% | 0.753 | S | S | . | * | | | trans | -87.6 | -1.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | A15 N19 | A15-G17 VanDerWaalsContact C-N 3.26Å; A15-G17 PolarHBondContact O-N 3.29Å; G17-N19 PolarHBondContact O-N 2.86Å |
| 18 | I | 60.7 | Low | 65.7 | Low | 152 Ų | 152 | 148.8 Ų | 148.8 | 78% | 0.779 | 75% | 0.752 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.8 | -10.9 | -178.4 | -44.5 | -179.6 | 0 | 0 | 0 | 111.1 | N16 | N16-I18 VanDerWaalsContact C-N 3.35Š|
| 19 | N | 59.5 | Low | 65.2 | Low | 119 Ų | 119 | 143.8 Ų | 143.8 | 64% | 0.636 | 74% | 0.74 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.5 | -3 | -167.4 | -41.8 | 26.2 | 0 | 0 | 0 | 113.3 | G17 | G17-N19 PolarHBondContact O-N 2.86Š|
| 20 | N | 57.2 | Low | 65 | Low | 150 Ų | 150 | 138 Ų | 138 | 80% | 0.802 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -130.3 | 18.1 | -174.6 | -77.1 | -16.4 | 0 | 0 | 0 | 113.7 | S22 | N20-S22 PolarHBondContact O-N 3.3Š|
| 21 | S | 54.7 | Low | 64.8 | Low | 74 Ų | 74 | 134 Ų | 134 | 52% | 0.517 | 73% | 0.729 | S | S | . | * | | | trans | -88 | 84.9 | 169.5 | 47.3 | 0 | 0 | 0 | 0 | 110.4 | V23 | S21-V23 VanDerWaalsContact CB-CG2 3.41Å; S21-V23 PolarHBondContact O-N 2.98Å |
| 22 | S | 56.3 | Low | 64.6 | Low | 121 Ų | 121 | 129.3 Ų | 129.3 | 85% | 0.846 | 72% | 0.722 | S | S | * | * | | | trans | -68.1 | 55.1 | 141.9 | 66.2 | 0 | 0 | 0 | 0 | 108.7 | N20 V24 | N20-S22 PolarHBondContact O-N 3.3Å; S22-V24 PolarHBondContact O-N 2.74Å |
| 23 | V | 58.3 | Low | 64.3 | Low | 111 Ų | 111 | 130.3 Ų | 130.3 | 67% | 0.673 | 73% | 0.727 | S | S | * | * | | | trans | -79.6 | 88.7 | 173.4 | 171.5 | 0 | 0 | 0 | 0 | 104.7 | S21 S25 | S21-V23 VanDerWaalsContact CB-CG2 3.41Å; S21-V23 PolarHBondContact O-N 2.98Å; V23-S25 PolarHBondContact O-N 3.25Å |
| 24 | V | 55.3 | Low | 64.1 | Low | 96 Ų | 96 | 131.7 Ų | 131.7 | 58% | 0.582 | 73% | 0.726 | S | S | * | * | | | trans | 42.1 | 83.5 | 138 | 177.1 | 0 | 0 | 0 | 0 | 112.8 | S22 H26 | S22-V24 PolarHBondContact O-N 2.74Å; V24-H26 HydrophobicContact CG1-CB 3.7Å; V24-H26 WeakPolarHBondContact CG1-CD2 3.05Å; V24-H26 PolarHBondContact O-N 3.15Å |
| 25 | S | 56.9 | Low | 63.9 | Low | 122 Ų | 122 | 126.7 Ų | 126.7 | 85% | 0.853 | 72% | 0.724 | S | S | * | * | | | trans | -74.3 | 63.9 | 156.3 | -66 | 0 | 0 | 0 | 0 | 109 | V23 R27 | V23-S25 PolarHBondContact O-N 3.25Å; S25-R27 PolarHBondContact O-N 3.22Å |
| 26 | H | 58.2 | Low | 64 | Low | 158 Ų | 158 | 128 Ų | 128 | 73% | 0.731 | 72% | 0.723 | S | S | * | * | | | trans | -78.3 | 79 | 163.5 | -78.7 | -40.4 | 0 | 0 | 0 | 108.3 | V24 S28 | V24-H26 HydrophobicContact CG1-CB 3.7Å; V24-H26 WeakPolarHBondContact CG1-CD2 3.05Å; V24-H26 PolarHBondContact O-N 3.15Å; H26-S28 PolarHBondContact O-N 3.21Å |
| 27 | R | 66.3 | Low | 63.9 | Low | 224 Ų | 224 | 126.3 Ų | 126.3 | 85% | 0.845 | 72% | 0.722 | S | S | * | * | | | trans | -71.4 | 73 | 160.7 | -167.5 | 180 | -175 | 172.2 | 1.1 | 107.8 | S25 | S25-R27 PolarHBondContact O-N 3.22Š|
| 28 | S | 65.9 | Low | 64.2 | Low | 102 Ų | 102 | 132.1 Ų | 132.1 | 71% | 0.713 | 74% | 0.735 | S | S | * | * | | | trans | -94.7 | 115.7 | 165.7 | 50.7 | 0 | 0 | 0 | 0 | 108.2 | H26 | H26-S28 PolarHBondContact O-N 3.21Š|
| 29 | Q | 70.9 | Confident | 63.7 | Low | 145 Ų | 145 | 138.4 Ų | 138.4 | 68% | 0.678 | 76% | 0.757 | S | S | * | * | | | trans | -53.9 | 144.9 | 179.2 | -63.5 | -74.3 | -26.5 | 0 | 0 | 110.9 | L31 | Q29-L31 PolarHBondContact O-N 3.46Š|
| 30 | P | 74.6 | Confident | 63.9 | Low | 115 Ų | 115 | 139.4 Ų | 139.4 | 75% | 0.747 | 76% | 0.763 | S | S | * | * | | | trans | -62 | 125.4 | 170.5 | 26.1 | -31.6 | 0 | 0 | 0 | 109.4 | S32 | P30-S32 PolarHBondContact O-N 3.43Š|
| 31 | L | 72.6 | Confident | 64.3 | Low | 158 Ų | 158 | 138.8 Ų | 138.8 | 83% | 0.827 | 76% | 0.761 | S | S | * | * | | | trans | -69.2 | 96.9 | 166.1 | -105.2 | 125.8 | 0 | 0 | 0 | 107.8 | Q29 L33 | Q29-L31 PolarHBondContact O-N 3.46Å; L31-L33 PolarHBondContact O-N 2.96Å |
| 32 | S | 75.4 | Confident | 64.8 | Low | 108 Ų | 108 | 142.4 Ų | 142.4 | 76% | 0.755 | 77% | 0.774 | S | S | * | * | | | trans | -78.5 | 105.2 | 166.4 | -177.4 | 0 | 0 | 0 | 0 | 108.1 | P30 Y34 | P30-S32 PolarHBondContact O-N 3.43Å; S32-Y34 PolarHBondContact O-N 3.39Å |
| 33 | L | 72.1 | Confident | 65.3 | Low | 144 Ų | 144 | 143.7 Ų | 143.7 | 75% | 0.754 | 77% | 0.77 | S | S | * | * | | | trans | -86.3 | 100.7 | 169.9 | -77.3 | 158.4 | 0 | 0 | 0 | 107.8 | L31 A35 | L31-L33 PolarHBondContact O-N 2.96Å; L33-A35 PolarHBondContact O-N 3.36Å |
| 34 | Y | 72.4 | Confident | 65.8 | Low | 206 Ų | 206 | 145.8 Ų | 145.8 | 81% | 0.808 | 78% | 0.776 | S | S | * | * | | | trans | -68.1 | 86.5 | 160.2 | -133.4 | -89.9 | 0 | 0 | 0 | 106.6 | S32 V36 | S32-Y34 PolarHBondContact O-N 3.39Å; Y34-V36 PolarHBondContact O-N 3.28Å |
| 35 | A | 67.8 | Low | 66.5 | Low | 84 Ų | 84 | 149.1 Ų | 149.1 | 69% | 0.694 | 79% | 0.789 | S | S | * | * | | | trans | -79.8 | 98.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 108.6 | L33 | L33-A35 PolarHBondContact O-N 3.36Š|
| 36 | V | 67.1 | Low | 67.2 | Low | 111 Ų | 111 | 151 Ų | 151 | 67% | 0.673 | 79% | 0.785 | S | S | * | * | | | trans | 49.4 | 98.2 | 151.9 | -168.3 | 0 | 0 | 0 | 0 | 116.3 | Y34 E38 | Y34-V36 PolarHBondContact O-N 3.28Å; V36-E38 HydrophobicContact CG1-CG 3.81Å; V36-E38 PolarHBondContact O-N 3.18Å |
| 37 | S | 59.6 | Low | 67.8 | Low | 99 Ų | 99 | 150.5 Ų | 150.5 | 69% | 0.692 | 79% | 0.789 | S | S | * | * | | | trans | -77 | 103 | 147.9 | -54.1 | 0 | 0 | 0 | 0 | 107.8 | | |
| 38 | E | 66 | Low | 68 | Low | 176 Ų | 176 | 144.3 Ų | 144.3 | 82% | 0.822 | 78% | 0.784 | S | S | * | * | | | trans | -72.3 | 141.7 | 156.5 | -81.8 | 175.7 | -175.8 | 0 | 0 | 108.2 | V36 | V36-E38 HydrophobicContact CG1-CG 3.81Å; V36-E38 PolarHBondContact O-N 3.18Å |
| 39 | F | 51.5 | Low | 68.2 | Low | 284 Ų | 284 | 148.2 Ų | 148.2 | 100% | 1.246 | 79% | 0.791 | S | S | * | * | | | trans | -62.3 | 0 | 178.6 | -90.1 | -94.6 | 0 | 0 | 0 | 113.2 | | |