| 1 | M | 43.1 | Very low | 57.9 | Low | 247 Ų | 247 | 160.3 Ų | 160.3 | 100% | 1.217 | 84% | 0.837 | S | S | * | * | | | | 0 | 96.2 | 0 | -74.6 | 161.8 | 160.9 | 0 | 0 | 106.8 | | |
| 2 | S | 58.9 | Low | 57.5 | Low | 115 Ų | 115 | 162.3 Ų | 162.3 | 80% | 0.804 | 84% | 0.842 | S | S | * | * | | | trans | -94.8 | 115.3 | 175.4 | 53 | 0 | 0 | 0 | 0 | 108.1 | V4 | S2-V4 PolarHBondContact O-N 3.48Š|
| 3 | E | 55.8 | Low | 56.9 | Low | 187 Ų | 187 | 158.5 Ų | 158.5 | 87% | 0.874 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 121.1 | 176 | -68.2 | -173.9 | 156.2 | 0 | 0 | 109.9 | | |
| 4 | V | 63.1 | Low | 56.6 | Low | 131 Ų | 131 | 152.4 Ų | 152.4 | 79% | 0.794 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -79.6 | 118.3 | 169.7 | 169.3 | 0 | 0 | 0 | 0 | 107.1 | S2 | S2-V4 PolarHBondContact O-N 3.48Š|
| 5 | L | 61.5 | Low | 56 | Low | 145 Ų | 145 | 157.7 Ų | 157.7 | 76% | 0.759 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -72 | 130.2 | 167.7 | -70.5 | 174.4 | 0 | 0 | 0 | 109 | Y7 | L5-Y7 PolarHBondContact O-N 3.03Å; L5-Y7 VanDerWaalsContact O-N 3.15Å |
| 6 | P | 59.9 | Low | 55.1 | Low | 112 Ų | 112 | 152.4 Ų | 152.4 | 73% | 0.727 | 83% | 0.832 | S | S | * | * | | | trans | -71.4 | 113 | 179.5 | 27.3 | -30.8 | 0 | 0 | 0 | 108.9 | N8 | P6-N8 PolarHBondContact O-N 2.88Š|
| 7 | Y | 57.1 | Low | 54.8 | Low | 228 Ų | 228 | 150.1 Ų | 150.1 | 89% | 0.894 | 84% | 0.838 | S | S | * | * | | | trans | -53.5 | 117.3 | 156.8 | -82.6 | -88.7 | 0 | 0 | 0 | 107.1 | L5 E9 | L5-Y7 PolarHBondContact O-N 3.03Å; L5-Y7 VanDerWaalsContact O-N 3.15Å; Y7-E9 PolarHBondContact O-N 3.04Å; Y7-E9 VanDerWaalsContact O-N 3.11Å |
| 8 | N | 59.5 | Low | 54.3 | Low | 148 Ų | 148 | 149.2 Ų | 149.2 | 79% | 0.791 | 83% | 0.831 | S | S | * | * | | | trans | -68.8 | 105.4 | -171.9 | -164.7 | -38 | 0 | 0 | 0 | 109 | P6 G10 | P6-N8 PolarHBondContact O-N 2.88Å; N8-G10 PolarHBondContact O-N 3.23Å; N8-G10 PolarHBondContact OD1-N 3.44Å |
| 9 | E | 59 | Low | 54.3 | Low | 195 Ų | 195 | 147.1 Ų | 147.1 | 91% | 0.911 | 83% | 0.827 | S | S | * | * | G | 310 helix | trans | -64.7 | 9.7 | 175.4 | -69.3 | -158.2 | 147.6 | 0 | 0 | 113.7 | Y7 K11 | Y7-E9 PolarHBondContact O-N 3.04Å; Y7-E9 VanDerWaalsContact O-N 3.11Å; E9-K11 PolarHBondContact O-N 3.29Å |
| 10 | G | 59.5 | Low | 54.2 | Low | 54 Ų | 54 | 148.1 Ų | 148.1 | 56% | 0.557 | 83% | 0.825 | S | S | * | * | G | 310 helix | trans | -82 | -5.8 | -169.3 | 0 | 0 | 0 | 0 | 0 | 117.1 | N8 | N8-G10 PolarHBondContact O-N 3.23Å; N8-G10 PolarHBondContact OD1-N 3.44Å |
| 11 | K | 59.4 | Low | 54 | Low | 201 Ų | 201 | 147.2 Ų | 147.2 | 87% | 0.874 | 82% | 0.823 | S | S | * | * | G | 310 helix | trans | -144.6 | 58.2 | -178 | -65.2 | -156.9 | -176.6 | -167.4 | 0 | 114.6 | E9 | E9-K11 PolarHBondContact O-N 3.29Š|
| 12 | M | 53.2 | Low | 54.6 | Low | 184 Ų | 184 | 140 Ų | 140 | 91% | 0.906 | 80% | 0.798 | S | S | * | * | | | trans | -120.6 | 84.4 | 152.3 | -131 | 100 | 85.6 | 0 | 0 | 107.7 | G14 | M12-G14 PolarHBondContact O-N 2.66Å; M12-G14 VanDerWaalsContact O-N 3.07Å |
| 13 | S | 49.3 | Very low | 54.5 | Low | 114 Ų | 114 | 142.8 Ų | 142.8 | 80% | 0.797 | 80% | 0.797 | S | S | * | * | | | trans | -67.5 | 107.2 | 168.7 | -159.8 | 0 | 0 | 0 | 0 | 106.6 | Y15 | S13-Y15 PolarHBondContact O-N 3.15Š|
| 14 | G | 53.8 | Low | 54.7 | Low | 72 Ų | 72 | 140.5 Ų | 140.5 | 74% | 0.742 | 79% | 0.788 | S | S | * | * | | | trans | -60 | 122.2 | -175.9 | 0 | 0 | 0 | 0 | 0 | 111 | M12 | M12-G14 PolarHBondContact O-N 2.66Å; M12-G14 VanDerWaalsContact O-N 3.07Å |
| 15 | Y | 47.1 | Very low | 54.6 | Low | 233 Ų | 233 | 138.8 Ų | 138.8 | 91% | 0.914 | 78% | 0.782 | S | S | * | * | | | trans | -84.6 | 120.4 | 164.5 | -88.5 | -87.5 | 0 | 0 | 0 | 109.1 | S13 | S13-Y15 PolarHBondContact O-N 3.15Š|
| 16 | G | 41.6 | Very low | 54.3 | Low | 73 Ų | 73 | 140.2 Ų | 140.2 | 75% | 0.753 | 78% | 0.783 | S | S | * | * | | | trans | 85.6 | 110.6 | 141.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | D18 | G16-D18 PolarHBondContact O-N 3Š|
| 17 | A | 49.5 | Very low | 54.3 | Low | 112 Ų | 112 | 140.1 Ų | 140.1 | 93% | 0.926 | 79% | 0.785 | S | S | * | * | | | trans | -51.4 | 111.9 | 164.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 18 | D | 45.6 | Very low | 54.4 | Low | 134 Ų | 134 | 134.9 Ų | 134.9 | 72% | 0.717 | 78% | 0.78 | S | S | * | * | | | trans | -156.1 | 117.3 | 134.7 | -159.6 | -108.5 | 0 | 0 | 0 | 108.8 | G16 E20 | G16-D18 PolarHBondContact O-N 3Å; D18-E20 PolarHBondContact O-N 2.81Å |
| 19 | S | 54.3 | Low | 54.4 | Low | 109 Ų | 109 | 130.8 Ų | 130.8 | 76% | 0.762 | 77% | 0.773 | S | S | * | * | | | trans | -91.9 | 44.7 | -165.7 | -179.8 | 0 | 0 | 0 | 0 | 111.8 | | |
| 20 | E | 52.9 | Low | 54.5 | Low | 168 Ų | 168 | 129.7 Ų | 129.7 | 79% | 0.785 | 77% | 0.772 | S | S | * | * | | | trans | -148.1 | 28.9 | -174.3 | -65 | -66.6 | 151.9 | 0 | 0 | 115 | D18 | D18-E20 PolarHBondContact O-N 2.81Š|
| 21 | V | 50.1 | Low | 54.9 | Low | 129 Ų | 129 | 135.4 Ų | 135.4 | 78% | 0.782 | 78% | 0.784 | S | S | * | * | S | Bend | trans | -108.8 | 93.1 | 167.1 | -164.9 | 0 | 0 | 0 | 0 | 108.7 | Q23 | V21-Q23 PolarHBondContact O-N 2.62Š|
| 22 | S | 56.4 | Low | 55 | Low | 97 Ų | 97 | 131.9 Ų | 131.9 | 68% | 0.678 | 78% | 0.775 | S | S | * | * | | | trans | -27.3 | 105.3 | 166.6 | 174.4 | 0 | 0 | 0 | 0 | 110.5 | M24 | S22-M24 VanDerWaalsContact C-N 3.31Å; S22-M24 PolarHBondContact O-N 2.82Å |
| 23 | Q | 56.9 | Low | 55.3 | Low | 172 Ų | 172 | 126.9 Ų | 126.9 | 80% | 0.804 | 76% | 0.755 | S | S | * | * | | | trans | -53.1 | 95.6 | 175 | -179.9 | -180 | -5.8 | 0 | 0 | 108.1 | V21 S25 | V21-Q23 PolarHBondContact O-N 2.62Å; Q23-S25 VanDerWaalsContact C-N 3.28Å; Q23-S25 PolarHBondContact O-N 3.34Å |
| 24 | M | 58.4 | Low | 55.9 | Low | 139 Ų | 139 | 124.5 Ų | 124.5 | 69% | 0.685 | 74% | 0.739 | S | S | * | * | | | trans | -71.3 | 92.5 | 176.4 | -67.5 | -170 | -170 | 0 | 0 | 107 | S22 F26 | S22-M24 VanDerWaalsContact C-N 3.31Å; S22-M24 PolarHBondContact O-N 2.82Å; M24-F26 HydrophobicContact CB-CE2 4Å; M24-F26 HydrophobicContact CB-CZ 4.09Å; M24-F26 VanDerWaalsContact O-CD2 3.23Å; M24-F26 WeakPolarHBondContact O-CD2 3.03Å; M24-F26 PolarHBondContact O-N 2.95Å; M24-F26 HydrophobicContact SD-CZ 4.44Å |
| 25 | S | 61.4 | Low | 56.2 | Low | 95 Ų | 95 | 124.5 Ų | 124.5 | 66% | 0.664 | 73% | 0.732 | S | S | * | * | | | trans | -64.6 | 98.3 | 168.4 | -65.8 | 0 | 0 | 0 | 0 | 108 | Q23 S27 | Q23-S25 VanDerWaalsContact C-N 3.28Å; Q23-S25 PolarHBondContact O-N 3.34Å; S25-S27 PolarHBondContact O-N 3.31Å |
| 26 | F | 55.3 | Low | 56.7 | Low | 176 Ų | 176 | 121.3 Ų | 121.3 | 77% | 0.772 | 72% | 0.722 | S | S | * | * | | | trans | -73.5 | 77.5 | 169.3 | -63 | -81.9 | 0 | 0 | 0 | 108.7 | M24 C28 | M24-F26 HydrophobicContact CB-CE2 4Å; M24-F26 HydrophobicContact CB-CZ 4.09Å; M24-F26 VanDerWaalsContact O-CD2 3.23Å; M24-F26 WeakPolarHBondContact O-CD2 3.03Å; M24-F26 PolarHBondContact O-N 2.95Å; M24-F26 HydrophobicContact SD-CZ 4.44Å; F26-C28 PolarHBondContact O-N 2.95Å |
| 27 | S | 59.7 | Low | 57.5 | Low | 110 Ų | 110 | 124.6 Ų | 124.6 | 77% | 0.769 | 72% | 0.716 | S | S | * | * | | | trans | -73.3 | 82.5 | 162 | 60.2 | 0 | 0 | 0 | 0 | 107.6 | S25 G29 | S25-S27 PolarHBondContact O-N 3.31Å; S27-G29 PolarHBondContact O-N 2.96Å |
| 28 | C | 58.4 | Low | 57.8 | Low | 118 Ų | 118 | 123.4 Ų | 123.4 | 80% | 0.797 | 71% | 0.706 | S | S | * | * | | | trans | -71.5 | 89.6 | 164.2 | 64.5 | 0 | 0 | 0 | 0 | 107 | F26 L30 | F26-C28 PolarHBondContact O-N 2.95Å; C28-L30 PolarHBondContact O-N 3.04Å |
| 29 | G | 60.4 | Low | 58.2 | Low | 61 Ų | 61 | 120.5 Ų | 120.5 | 63% | 0.629 | 70% | 0.701 | S | S | * | * | | | trans | -55.4 | 117.3 | 167.6 | 0 | 0 | 0 | 0 | 0 | 107.4 | S27 Q31 | S27-G29 PolarHBondContact O-N 2.96Å; G29-Q31 VanDerWaalsContact C-N 3.27Å; G29-Q31 PolarHBondContact O-N 2.76Å |
| 30 | L | 61.5 | Low | 58.4 | Low | 172 Ų | 172 | 120.4 Ų | 120.4 | 90% | 0.901 | 70% | 0.701 | S | S | * | * | | | trans | -61.9 | 96 | 173.6 | -165.5 | 88.6 | 0 | 0 | 0 | 106.3 | C28 D32 | C28-L30 PolarHBondContact O-N 3.04Å; L30-D32 PolarHBondContact O-N 2.96Å |
| 31 | Q | 67.1 | Low | 58.7 | Low | 175 Ų | 175 | 120 Ų | 120 | 82% | 0.818 | 70% | 0.699 | S | S | * | * | | | trans | -60.4 | 137.8 | 177.8 | -69.5 | -168.8 | -4.9 | 0 | 0 | 108.3 | G29 T33 | G29-Q31 VanDerWaalsContact C-N 3.27Å; G29-Q31 PolarHBondContact O-N 2.76Å; Q31-T33 PolarHBondContact O-N 2.87Å |
| 32 | D | 62.2 | Low | 59.1 | Low | 126 Ų | 126 | 118.9 Ų | 118.9 | 67% | 0.674 | 70% | 0.702 | S | S | * | * | | | trans | -53 | 113.6 | 176.7 | -179.7 | 12 | 0 | 0 | 0 | 109.8 | L30 S34 | L30-D32 PolarHBondContact O-N 2.96Å; D32-S34 PolarHBondContact O-N 2.89Å; D32-S34 WeakPolarHBondContact OD1-CB 3.45Å; D32-S34 PolarHBondContact OD1-N 2.92Å; D32-S34 PolarHBondContact OD1-OG 3.4Å; D32-S34 WeakPolarHBondContact OD2-CB 3.17Å; D32-S34 PolarHBondContact OD2-OG 2.82Å |
| 33 | T | 60.3 | Low | 59.6 | Low | 80 Ų | 80 | 123.4 Ų | 123.4 | 49% | 0.491 | 71% | 0.71 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -77.9 | 1 | -178.7 | 55.9 | 0 | 0 | 0 | 0 | 112.2 | Q31 A35 F36 F37 | Q31-T33 PolarHBondContact O-N 2.87Å; T33-A35 PolarHBondContact O-N 3.28Å; T33-F36 WeakPolarHBondContact O-CB 3.33Å; T33-F36 PolarHBondContact O-N 3.34Å; T33-F37 WeakPolarHBondContact O-CD2 3.47Å; T33-F37 PolarHBondContact O-N 3.45Å |
| 34 | S | 60.1 | Low | 60.7 | Low | 64 Ų | 64 | 125.4 Ų | 125.4 | 45% | 0.448 | 71% | 0.71 | S | S | . | * | H | α-helix | trans | -53.2 | -39.4 | 175.8 | 69.8 | 0 | 0 | 0 | 0 | 112.1 | D32 A38 | D32-S34 PolarHBondContact O-N 2.89Å; D32-S34 WeakPolarHBondContact OD1-CB 3.45Å; D32-S34 PolarHBondContact OD1-N 2.92Å; D32-S34 PolarHBondContact OD1-OG 3.4Å; D32-S34 WeakPolarHBondContact OD2-CB 3.17Å; D32-S34 PolarHBondContact OD2-OG 2.82Å; S34-A38 WeakPolarHBondContact O-CB 3.23Å; S34-A38 PolarHBondContact O-N 3.31Å |
| 35 | A | 60.2 | Low | 61.9 | Low | 72 Ų | 72 | 124 Ų | 124 | 60% | 0.595 | 71% | 0.711 | S | S | * | * | H | α-helix | trans | -74.6 | -23.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | T33 | T33-A35 PolarHBondContact O-N 3.28Å |
| 36 | F | 58.8 | Low | 63 | Low | 165 Ų | 165 | 123.6 Ų | 123.6 | 72% | 0.724 | 71% | 0.706 | S | S | * | * | H | α-helix | trans | -71 | -36.1 | 177.3 | -171.7 | -98 | 0 | 0 | 0 | 111.6 | T33 | T33-F36 WeakPolarHBondContact O-CB 3.33Å; T33-F36 PolarHBondContact O-N 3.34Å |
| 37 | F | 58.4 | Low | 64.6 | Low | 143 Ų | 143 | 122.3 Ų | 122.3 | 63% | 0.627 | 70% | 0.701 | S | S | * | * | H | α-helix | trans | -98.9 | -23.6 | 179.4 | -63.8 | -77.4 | 0 | 0 | 0 | 114 | T33 A39 S40 | T33-F37 WeakPolarHBondContact O-CD2 3.47Å; T33-F37 PolarHBondContact O-N 3.45Å; F37-A39 VanDerWaalsContact C-N 3.3Å; F37-A39 PolarHBondContact O-N 2.84Å; F37-S40 PolarHBondContact O-N 3.08Å |
| 38 | A | 55.1 | Low | 65.9 | Low | 86 Ų | 86 | 123.2 Ų | 123.2 | 71% | 0.711 | 70% | 0.696 | S | S | * | * | H | α-helix | trans | -72.5 | -22.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | S34 S40 | S34-A38 WeakPolarHBondContact O-CB 3.23Å; S34-A38 PolarHBondContact O-N 3.31Å; A38-S40 PolarHBondContact O-N 3.37Å |
| 39 | A | 54.9 | Low | 67.3 | Low | 73 Ų | 73 | 121.2 Ų | 121.2 | 60% | 0.603 | 70% | 0.695 | S | S | * | * | | | trans | -81.2 | 47.2 | 165.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | F37 Q41 | F37-A39 VanDerWaalsContact C-N 3.3Å; F37-A39 PolarHBondContact O-N 2.84Å; A39-Q41 PolarHBondContact O-N 3.37Å |
| 40 | S | 58.2 | Low | 68.7 | Low | 108 Ų | 108 | 125 Ų | 125 | 76% | 0.755 | 70% | 0.697 | S | S | * | * | | | trans | -72.8 | 63.9 | 168 | -170.5 | 0 | 0 | 0 | 0 | 110.2 | F37 A38 | F37-S40 PolarHBondContact O-N 3.08Å; A38-S40 PolarHBondContact O-N 3.37Å |
| 41 | Q | 58.8 | Low | 69.8 | Low | 160 Ų | 160 | 121.3 Ų | 121.3 | 75% | 0.748 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -107.5 | 115.8 | 139.4 | -68.4 | -136.5 | -24.3 | 0 | 0 | 104.5 | A39 K43 | A39-Q41 PolarHBondContact O-N 3.37Å; Q41-K43 PolarHBondContact O-N 3.19Å |
| 42 | A | 58.2 | Low | 70.7 | Confident | 104 Ų | 104 | 116.3 Ų | 116.3 | 86% | 0.86 | 67% | 0.672 | S | S | * | * | | | trans | -52.6 | 81.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | R44 | A42-R44 PolarHBondContact O-N 3.45Š|
| 43 | K | 67.3 | Low | 72 | Confident | 193 Ų | 193 | 119.3 Ų | 119.3 | 84% | 0.839 | 67% | 0.674 | S | S | * | * | | | trans | -73.4 | 91 | 172.6 | -70.7 | -155.9 | -177.6 | -176.3 | 0 | 104.8 | Q41 | Q41-K43 PolarHBondContact O-N 3.19Š|
| 44 | R | 79 | Confident | 73.3 | Confident | 213 Ų | 213 | 120.3 Ų | 120.3 | 80% | 0.804 | 69% | 0.69 | S | S | * | * | | | trans | -40.5 | 135.1 | 169.9 | -147.7 | 178.2 | -177.5 | 92.2 | 1.3 | 107.8 | A42 | A42-R44 PolarHBondContact O-N 3.45Š|
| 45 | P | 84.3 | Confident | 74.7 | Confident | 109 Ų | 109 | 126.5 Ų | 126.5 | 71% | 0.708 | 71% | 0.709 | S | S | * | * | P | Polyproline II helix | trans | -47.6 | 139.2 | 177.2 | -28.7 | 34.4 | 0 | 0 | 0 | 110.6 | K47 | P45-K47 PolarHBondContact O-N 3.11Š|
| 46 | P | 83.8 | Confident | 75.9 | Confident | 87 Ų | 87 | 131.6 Ų | 131.6 | 57% | 0.565 | 72% | 0.72 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 135.2 | -175.3 | 23.7 | -33.3 | 0 | 0 | 0 | 110 | Q50 I51 | P46-Q50 HydrophobicContact CB-CB 4.41Å; P46-I51 HydrophobicContact CB-CG1 4.46Å |
| 47 | K | 89.8 | Confident | 77.3 | Confident | 149 Ų | 149 | 129.9 Ų | 129.9 | 65% | 0.648 | 72% | 0.723 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 156.2 | 174.5 | -65.3 | -178.9 | -179.2 | 172.7 | 0 | 109.5 | P45 G49 Q50 | P45-K47 PolarHBondContact O-N 3.11Å; K47-G49 PolarHBondContact O-N 3.07Å; K47-G49 VanDerWaalsContact O-N 3.08Å; K47-Q50 HydrophobicContact CB-CG 4.46Å; K47-Q50 WeakPolarHBondContact O-CB 3.43Å; K47-Q50 PolarHBondContact O-N 3.15Å |
| 48 | L | 86.7 | Confident | 78.9 | Confident | 129 Ų | 129 | 129.2 Ų | 129.2 | 68% | 0.675 | 73% | 0.73 | S | S | * | * | G | 310 helix | trans | -52 | -36.1 | 179.1 | -175.4 | 60.8 | 0 | 0 | 0 | 113.4 | Q50 I51 | L48-Q50 VanDerWaalsContact C-N 3.27Å; L48-Q50 PolarHBondContact O-N 3.22Å; L48-I51 PolarHBondContact O-N 2.88Å |
| 49 | G | 87.8 | Confident | 80.6 | Confident | 76 Ų | 76 | 129.8 Ų | 129.8 | 78% | 0.784 | 72% | 0.721 | S | S | * | * | G | 310 helix | trans | -73.2 | -10.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | K47 | K47-G49 PolarHBondContact O-N 3.07Å; K47-G49 VanDerWaalsContact O-N 3.08Å |
| 50 | Q | 89.6 | Confident | 82.4 | Confident | 142 Ų | 142 | 135.6 Ų | 135.6 | 66% | 0.664 | 74% | 0.735 | S | S | * | * | G | 310 helix | trans | -97.4 | -8.8 | 177.1 | -62.7 | 177.7 | -50.6 | 0 | 0 | 112.4 | P46 K47 L48 | P46-Q50 HydrophobicContact CB-CB 4.41Å; K47-Q50 HydrophobicContact CB-CG 4.46Å; K47-Q50 WeakPolarHBondContact O-CB 3.43Å; K47-Q50 PolarHBondContact O-N 3.15Å; L48-Q50 VanDerWaalsContact C-N 3.27Å; L48-Q50 PolarHBondContact O-N 3.22Å |
| 51 | I | 86.3 | Confident | 84.1 | Confident | 93 Ų | 93 | 133.3 Ų | 133.3 | 48% | 0.477 | 72% | 0.715 | S | S | . | * | S | Bend | trans | -83.2 | 124.8 | 178.8 | -57.4 | 174.5 | 0 | 0 | 0 | 108.3 | P46 L48 | P46-I51 HydrophobicContact CB-CG1 4.46Å; L48-I51 PolarHBondContact O-N 2.88Å |
| 52 | G | 85.9 | Confident | 85.5 | Confident | 70 Ų | 70 | 133.1 Ų | 133.1 | 72% | 0.722 | 72% | 0.719 | S | S | * | * | | | trans | -65.9 | 143.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 53 | R | 88.5 | Confident | 87.2 | Confident | 190 Ų | 190 | 136.4 Ų | 136.4 | 72% | 0.717 | 71% | 0.709 | S | S | * | * | | | trans | -106.6 | 18.8 | 179.6 | -58.9 | 178.2 | -175.2 | -95.4 | -0.1 | 113 | K55 | R53-K55 PolarHBondContact O-N 3.31Š|
| 54 | A | 88.6 | Confident | 88.3 | Confident | 100 Ų | 100 | 129.3 Ų | 129.3 | 83% | 0.826 | 68% | 0.68 | S | S | * | * | | | trans | -70.8 | -17.6 | -172.9 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 55 | K | 87.9 | Confident | 88.6 | Confident | 194 Ų | 194 | 124.7 Ų | 124.7 | 84% | 0.843 | 67% | 0.671 | S | S | * | * | S | Bend | trans | -114.3 | 131.5 | 176.9 | -65 | -173.8 | 179.9 | -176.7 | 0 | 109.2 | R53 | R53-K55 PolarHBondContact O-N 3.31Š|
| 56 | H | 86.1 | Confident | 88.9 | Confident | 179 Ų | 179 | 127.1 Ų | 127.1 | 83% | 0.829 | 67% | 0.673 | S | S | * | * | | | trans | -95.2 | 148 | 169.3 | -67.5 | -88.5 | 0 | 0 | 0 | 109.4 | | |
| 57 | V | 88.9 | Confident | 89 | Confident | 130 Ų | 130 | 127.4 Ų | 127.4 | 79% | 0.788 | 67% | 0.673 | S | S | * | * | | | trans | -107.8 | 131.8 | 174.5 | -177.9 | 0 | 0 | 0 | 0 | 107.1 | | |
| 58 | V | 90.5 | Very high | 88.8 | Confident | 128 Ų | 128 | 123.7 Ų | 123.7 | 78% | 0.776 | 66% | 0.66 | S | S | * | * | | | trans | -84.6 | 131.9 | 171.4 | 179.2 | 0 | 0 | 0 | 0 | 107.7 | E60 | V58-E60 HydrophobicContact CG1-CG 4.44Š|
| 59 | I | 92 | Very high | 88.8 | Confident | 98 Ų | 98 | 125.6 Ų | 125.6 | 50% | 0.503 | 66% | 0.663 | S | S | . | * | | | trans | -109.8 | 113.2 | 176.8 | -57.4 | 173.5 | 0 | 0 | 0 | 107.2 | D61 I64 | I59-D61 HydrophobicContact CG2-CB 4.15Å; I59-D61 PolarHBondContact O-N 3.07Å; I59-D61 VanDerWaalsContact O-N 3.13Å; I59-I64 HydrophobicContact CB-CG1 4.45Å; I59-I64 HydrophobicContact CB-CG2 4.43Å; I59-I64 HydrophobicContact CD1-CD1 4.31Å; I59-I64 HydrophobicContact CD1-CG1 3.98Å; I59-I64 HydrophobicContact CG2-CB 4.24Å; I59-I64 HydrophobicContact CG2-CG1 4.13Å; I59-I64 HydrophobicContact CG2-CG2 4.36Å |
| 60 | E | 92.6 | Very high | 88.4 | Confident | 196 Ų | 196 | 125.2 Ų | 125.2 | 92% | 0.916 | 66% | 0.659 | S | S | * | * | | | trans | -86.9 | 51.8 | 179.5 | -59 | -178.3 | 154.2 | 0 | 0 | 111 | V58 | V58-E60 HydrophobicContact CG1-CG 4.44Š|
| 61 | D | 93.5 | Very high | 87.6 | Confident | 59 Ų | 59 | 123.3 Ų | 123.3 | 32% | 0.316 | 65% | 0.651 | S | S | . | * | | | trans | -130.5 | 109 | 171.7 | -172.7 | -27 | 0 | 0 | 0 | 107.9 | I59 R63 I64 | I59-D61 HydrophobicContact CG2-CB 4.15Å; I59-D61 PolarHBondContact O-N 3.07Å; I59-D61 VanDerWaalsContact O-N 3.13Å; D61-R63 PolarHBondContact O-N 3.16Å; D61-R63 WeakPolarHBondContact OD1-CB 3.37Å; D61-R63 WeakPolarHBondContact OD1-CG 3.31Å; D61-R63 IonicContact OD1-CZ 3.74Å; D61-R63 PolarHBondContact OD1-N 3.23Å; D61-R63 IonicContact OD1-NE 2.94Å; D61-R63 PolarHBondContact OD1-NE 2.91Å; D61-R63 IonicContact OD1-NH2 3.64Å; D61-R63 IonicContact OD2-CZ 3.56Å; D61-R63 IonicContact OD2-NE 3.51Å; D61-R63 IonicContact OD2-NH2 2.76Å; D61-R63 PolarHBondContact OD2-NH2 3.24Å; D61-I64 VanDerWaalsContact O-CB 3.28Å; D61-I64 WeakPolarHBondContact O-CB 3.27Å; D61-I64 WeakPolarHBondContact O-CG2 3Å; D61-I64 PolarHBondContact O-N 3.13Å |
| 62 | D | 89.4 | Confident | 86.6 | Confident | 156 Ų | 156 | 124.4 Ų | 124.4 | 83% | 0.834 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.6 | -18 | -175.2 | -61.5 | -26.6 | 0 | 0 | 0 | 113.5 | I64 | D62-I64 VanDerWaalsContact C-N 3.3Š|
| 63 | R | 92.3 | Very high | 85.4 | Confident | 173 Ų | 173 | 128 Ų | 128 | 65% | 0.653 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.9 | -13.4 | 178 | -55.9 | 171.4 | -63.8 | 175.2 | 4.4 | 112.5 | D61 D65 E66 V67 | D61-R63 PolarHBondContact O-N 3.16Å; D61-R63 WeakPolarHBondContact OD1-CB 3.37Å; D61-R63 WeakPolarHBondContact OD1-CG 3.31Å; D61-R63 IonicContact OD1-CZ 3.74Å; D61-R63 PolarHBondContact OD1-N 3.23Å; D61-R63 IonicContact OD1-NE 2.94Å; D61-R63 PolarHBondContact OD1-NE 2.91Å; D61-R63 IonicContact OD1-NH2 3.64Å; D61-R63 IonicContact OD2-CZ 3.56Å; D61-R63 IonicContact OD2-NE 3.51Å; D61-R63 IonicContact OD2-NH2 2.76Å; D61-R63 PolarHBondContact OD2-NH2 3.24Å; R63-D65 VanDerWaalsContact C-N 3.3Å; R63-D65 PolarHBondContact O-N 3.33Å; R63-E66 PolarHBondContact O-N 3.49Å; R63-V67 PolarHBondContact O-N 2.97Å |
| 64 | I | 90.2 | Very high | 84.3 | Confident | 45 Ų | 45 | 127.6 Ų | 127.6 | 23% | 0.231 | 67% | 0.668 | C | S | . | * | H | α-helix | trans | -63.1 | -38.3 | -174.5 | -163.7 | 59.9 | 0 | 0 | 0 | 111.8 | I59 D61 D62 E66 V67 L68 | I59-I64 HydrophobicContact CB-CG1 4.45Å; I59-I64 HydrophobicContact CB-CG2 4.43Å; I59-I64 HydrophobicContact CD1-CD1 4.31Å; I59-I64 HydrophobicContact CD1-CG1 3.98Å; I59-I64 HydrophobicContact CG2-CB 4.24Å; I59-I64 HydrophobicContact CG2-CG1 4.13Å; I59-I64 HydrophobicContact CG2-CG2 4.36Å; D61-I64 VanDerWaalsContact O-CB 3.28Å; D61-I64 WeakPolarHBondContact O-CB 3.27Å; D61-I64 WeakPolarHBondContact O-CG2 3Å; D61-I64 PolarHBondContact O-N 3.13Å; D62-I64 VanDerWaalsContact C-N 3.3Å; I64-E66 VanDerWaalsContact C-N 3.31Å; I64-E66 PolarHBondContact O-N 3.21Å; I64-V67 PolarHBondContact O-N 3.43Å; I64-L68 HydrophobicContact CD1-CG 4.35Å; I64-L68 HydrophobicContact CG1-CD1 3.84Å; I64-L68 HydrophobicContact CG1-CG 4.06Å; I64-L68 WeakPolarHBondContact O-CB 3.46Å; I64-L68 VanDerWaalsContact O-CG 3.27Å; I64-L68 WeakPolarHBondContact O-CG 3.28Å; I64-L68 PolarHBondContact O-N 2.91Å |
| 65 | D | 86.7 | Confident | 83.1 | Confident | 116 Ų | 116 | 128 Ų | 128 | 62% | 0.62 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -63.1 | -38.4 | -177.5 | -69.6 | -29.2 | 0 | 0 | 0 | 112 | R63 L68 K69 | R63-D65 VanDerWaalsContact C-N 3.3Å; R63-D65 PolarHBondContact O-N 3.33Å; D65-L68 PolarHBondContact O-N 3.37Å; D65-K69 VanDerWaalsContact O-CB 3.31Å; D65-K69 WeakPolarHBondContact O-CB 3.5Å; D65-K69 PolarHBondContact O-N 3.37Å |
| 66 | E | 89.9 | Confident | 81.9 | Confident | 159 Ų | 159 | 123.6 Ų | 123.6 | 74% | 0.743 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -64.5 | -42.5 | 177.1 | -172.5 | 177.9 | 177.7 | 0 | 0 | 111.6 | R63 I64 | R63-E66 PolarHBondContact O-N 3.49Å; I64-E66 VanDerWaalsContact C-N 3.31Å; I64-E66 PolarHBondContact O-N 3.21Å |
| 67 | V | 86.9 | Confident | 80.8 | Confident | 93 Ų | 93 | 120.6 Ų | 120.6 | 56% | 0.564 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -67.8 | -41.3 | 177.6 | 179 | 0 | 0 | 0 | 0 | 111.2 | R63 I64 M71 | R63-V67 PolarHBondContact O-N 2.97Å; I64-V67 PolarHBondContact O-N 3.43Å; V67-M71 HydrophobicContact CG1-CE 4.17Å |
| 68 | L | 84.9 | Confident | 79.4 | Confident | 72 Ų | 72 | 117.7 Ų | 117.7 | 38% | 0.377 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -72.5 | -27 | -178.9 | -67.9 | -178.9 | 0 | 0 | 0 | 113.1 | I64 D65 G70 M71 | I64-L68 HydrophobicContact CD1-CG 4.35Å; I64-L68 HydrophobicContact CG1-CD1 3.84Å; I64-L68 HydrophobicContact CG1-CG 4.06Å; I64-L68 WeakPolarHBondContact O-CB 3.46Å; I64-L68 VanDerWaalsContact O-CG 3.27Å; I64-L68 WeakPolarHBondContact O-CG 3.28Å; I64-L68 PolarHBondContact O-N 2.91Å; D65-L68 PolarHBondContact O-N 3.37Å; L68-G70 VanDerWaalsContact C-N 3.28Å; L68-G70 PolarHBondContact O-N 2.93Å; L68-M71 HydrophobicContact CD2-CE 3.74Å; L68-M71 HydrophobicContact CD2-CG 4.36Å; L68-M71 HydrophobicContact CD2-SD 3.37Å; L68-M71 WeakPolarHBondContact CD2-SD 3.32Å; L68-M71 WeakPolarHBondContact O-CG 3.08Å; L68-M71 PolarHBondContact O-N 2.99Å |
| 69 | K | 86.3 | Confident | 77.3 | Confident | 169 Ų | 169 | 121.8 Ų | 121.8 | 74% | 0.735 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -60.7 | -34.2 | -178.9 | -175.1 | 169.2 | 172.2 | -178 | 0 | 113.2 | D65 M71 | D65-K69 VanDerWaalsContact O-CB 3.31Å; D65-K69 WeakPolarHBondContact O-CB 3.5Å; D65-K69 PolarHBondContact O-N 3.37Å; K69-M71 PolarHBondContact O-N 3.38Å |
| 70 | G | 80.1 | Confident | 76.6 | Confident | 68 Ų | 68 | 123 Ų | 123 | 70% | 0.701 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.3 | -5.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | L68 | L68-G70 VanDerWaalsContact C-N 3.28Å; L68-G70 PolarHBondContact O-N 2.93Å |
| 71 | M | 72.9 | Confident | 75.7 | Confident | 102 Ų | 102 | 119.2 Ų | 119.2 | 50% | 0.502 | 67% | 0.673 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -109.5 | -8.5 | -175.5 | 56.9 | 170.7 | 77.8 | 0 | 0 | 114.6 | V67 L68 K69 D73 | V67-M71 HydrophobicContact CG1-CE 4.17Å; L68-M71 HydrophobicContact CD2-CE 3.74Å; L68-M71 HydrophobicContact CD2-CG 4.36Å; L68-M71 HydrophobicContact CD2-SD 3.37Å; L68-M71 WeakPolarHBondContact CD2-SD 3.32Å; L68-M71 WeakPolarHBondContact O-CG 3.08Å; L68-M71 PolarHBondContact O-N 2.99Å; K69-M71 PolarHBondContact O-N 3.38Å; M71-D73 VanDerWaalsContact C-N 3.28Å; M71-D73 PolarHBondContact O-N 2.76Å |
| 72 | T | 64.2 | Low | 74.7 | Confident | 116 Ų | 116 | 122.5 Ų | 122.5 | 71% | 0.712 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.2 | -25.7 | -179 | -88.6 | 0 | 0 | 0 | 0 | 113.7 | K74 | T72-K74 VanDerWaalsContact C-N 3.25Å; T72-K74 PolarHBondContact O-N 3.07Å |
| 73 | D | 62.2 | Low | 73.9 | Confident | 144 Ų | 144 | 120.5 Ų | 120.5 | 77% | 0.77 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.5 | -2.5 | -174 | -59.6 | -59.3 | 0 | 0 | 0 | 114.7 | M71 S75 | M71-D73 VanDerWaalsContact C-N 3.28Å; M71-D73 PolarHBondContact O-N 2.76Å; D73-S75 PolarHBondContact O-N 2.94Å |
| 74 | K | 65.2 | Low | 72.7 | Confident | 183 Ų | 183 | 117.3 Ų | 117.3 | 80% | 0.796 | 69% | 0.686 | S | S | * | * | S | Bend | trans | -83.7 | 98.7 | 173.5 | -65.2 | -96.7 | 178.3 | 167.1 | 0 | 107.4 | T72 S76 | T72-K74 VanDerWaalsContact C-N 3.25Å; T72-K74 PolarHBondContact O-N 3.07Å; K74-S76 PolarHBondContact O-N 3.29Å; K74-S76 VanDerWaalsContact O-N 3.16Å |
| 75 | S | 62.6 | Low | 71.6 | Confident | 107 Ų | 107 | 122.1 Ų | 122.1 | 75% | 0.748 | 72% | 0.717 | S | S | * | * | | | trans | -47 | 127.4 | 174.2 | 72.3 | 0 | 0 | 0 | 0 | 109.4 | D73 | D73-S75 PolarHBondContact O-N 2.94Š|
| 76 | S | 62.4 | Low | 70.5 | Confident | 102 Ų | 102 | 122.5 Ų | 122.5 | 71% | 0.713 | 72% | 0.724 | S | S | * | * | | | trans | -51.6 | 125.6 | 172.3 | -175.6 | 0 | 0 | 0 | 0 | 108.1 | K74 G78 | K74-S76 PolarHBondContact O-N 3.29Å; K74-S76 VanDerWaalsContact O-N 3.16Å; S76-G78 PolarHBondContact O-N 3.47Å |
| 77 | P | 62.3 | Low | 69 | Low | 116 Ų | 116 | 119.7 Ų | 119.7 | 75% | 0.753 | 72% | 0.722 | S | S | * | * | | | trans | -58.6 | 109.6 | 170.1 | -14 | 26.2 | 0 | 0 | 0 | 105.8 | V79 | P77-V79 PolarHBondContact O-N 3.21Š|
| 78 | G | 60.5 | Low | 67.5 | Low | 70 Ų | 70 | 121.9 Ų | 121.9 | 72% | 0.722 | 74% | 0.736 | S | S | * | * | | | trans | -49.9 | 138.8 | 180 | 0 | 0 | 0 | 0 | 0 | 110 | S76 | S76-G78 PolarHBondContact O-N 3.47Š|
| 79 | V | 46.6 | Very low | 65.9 | Low | 214 Ų | 214 | 126.5 Ų | 126.5 | 100% | 1.297 | 77% | 0.768 | S | S | * | * | | | trans | -70.3 | 0 | 171.1 | -176.7 | 0 | 0 | 0 | 0 | 109.2 | P77 | P77-V79 PolarHBondContact O-N 3.21Š|