| 1 | M | 44.4 | Very low | 62.5 | Low | 247 Ų | 247 | 163.6 Ų | 163.6 | 100% | 1.217 | 85% | 0.847 | S | S | * | * | | | | 0 | 129.9 | 0 | -75.4 | -166.9 | -110.2 | 0 | 0 | 108.4 | | |
| 2 | A | 63.3 | Low | 61.8 | Low | 85 Ų | 85 | 163.8 Ų | 163.8 | 70% | 0.702 | 84% | 0.841 | S | S | * | * | P | Polyproline II helix | trans | -75.7 | 137.1 | -167.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 3 | P | 58.7 | Low | 61.3 | Low | 132 Ų | 132 | 165.3 Ų | 165.3 | 86% | 0.857 | 84% | 0.842 | S | S | * | * | P | Polyproline II helix | trans | -75 | 134.7 | 159 | -4.5 | 22.3 | 0 | 0 | 0 | 109.4 | | |
| 4 | K | 65.2 | Low | 61.2 | Low | 183 Ų | 183 | 163.1 Ų | 163.1 | 80% | 0.796 | 84% | 0.84 | S | S | * | * | P | Polyproline II helix | trans | -92.3 | 155.2 | -164.7 | -68.4 | 170.5 | 173.9 | 164.7 | 0 | 112.2 | | |
| 5 | Q | 63.3 | Low | 60.4 | Low | 185 Ų | 185 | 155.5 Ų | 155.5 | 86% | 0.864 | 82% | 0.817 | S | S | * | * | | | trans | 78.4 | 108.5 | 152.4 | -75.8 | 172.6 | -52.7 | 0 | 0 | 118.5 | | |
| 6 | D | 70.9 | Confident | 60.4 | Low | 152 Ų | 152 | 156.4 Ų | 156.4 | 81% | 0.813 | 82% | 0.819 | S | S | * | * | | | trans | -56.2 | 143.6 | 160 | -59.8 | -63.6 | 0 | 0 | 0 | 111.1 | K8 | D6-K8 PolarHBondContact O-N 3.15Š|
| 7 | P | 66.8 | Low | 60.3 | Low | 128 Ų | 128 | 155.8 Ų | 155.8 | 83% | 0.831 | 82% | 0.816 | S | S | * | * | | | trans | -67.4 | 110.9 | 176.7 | 26 | -30.3 | 0 | 0 | 0 | 109.8 | | |
| 8 | K | 68.5 | Low | 60.1 | Low | 190 Ų | 190 | 151.2 Ų | 151.2 | 83% | 0.826 | 81% | 0.813 | S | S | * | * | | | trans | -67.8 | 126 | 172.8 | -157.9 | 165.6 | -172.8 | 167.7 | 0 | 108.5 | D6 K10 | D6-K8 PolarHBondContact O-N 3.15Å; K8-K10 PolarHBondContact O-N 3.37Å; K8-K10 VanDerWaalsContact O-N 3.11Å |
| 9 | P | 61 | Low | 60.1 | Low | 109 Ų | 109 | 149.4 Ų | 149.4 | 71% | 0.708 | 81% | 0.812 | S | S | * | * | | | trans | -64.6 | 118.1 | 176.8 | 23.7 | -29.4 | 0 | 0 | 0 | 108.7 | F11 | P9-F11 PolarHBondContact O-N 2.95Š|
| 10 | K | 65.9 | Low | 60.2 | Low | 212 Ų | 212 | 151.6 Ų | 151.6 | 92% | 0.922 | 82% | 0.816 | S | S | * | * | | | trans | -74.9 | 110.9 | 170.4 | -70.2 | -164.6 | 179.2 | -176.7 | 0 | 107.9 | K8 | K8-K10 PolarHBondContact O-N 3.37Å; K8-K10 VanDerWaalsContact O-N 3.11Å |
| 11 | F | 59.5 | Low | 60.1 | Low | 177 Ų | 177 | 153.6 Ų | 153.6 | 78% | 0.776 | 82% | 0.818 | S | S | * | * | | | trans | -92.6 | 142.2 | 166.5 | -120.1 | -93.9 | 0 | 0 | 0 | 109.9 | P9 | P9-F11 PolarHBondContact O-N 2.95Š|
| 12 | Q | 54.2 | Low | 60.9 | Low | 166 Ų | 166 | 146.2 Ų | 146.2 | 78% | 0.776 | 80% | 0.796 | S | S | * | * | | | trans | 71.6 | 136.3 | 165.1 | -81.3 | 159.7 | 10.6 | 0 | 0 | 117 | | |
| 13 | E | 55 | Low | 60.7 | Low | 183 Ų | 183 | 150.3 Ų | 150.3 | 86% | 0.855 | 80% | 0.8 | S | S | * | * | | | cis | -131.4 | 128.9 | 45.8 | -121.3 | 172.8 | 147.1 | 0 | 0 | 112.9 | G15 | E13-G15 PolarHBondContact O-N 2.77Å; E13-G15 VanDerWaalsContact O-N 3.11Å |
| 14 | V | 59.3 | Low | 60.7 | Low | 134 Ų | 134 | 155.2 Ų | 155.2 | 81% | 0.812 | 80% | 0.804 | S | S | * | * | | | trans | -83 | 78.1 | 160.1 | -173.7 | 0 | 0 | 0 | 0 | 106.7 | M16 | V14-M16 HydrophobicContact CG1-CG 4.28Å; V14-M16 PolarHBondContact O-N 2.96Å; V14-M16 VanDerWaalsContact O-N 3.1Å |
| 15 | G | 50.3 | Low | 60.4 | Low | 49 Ų | 49 | 149.8 Ų | 149.8 | 51% | 0.505 | 79% | 0.788 | S | S | . | * | | | trans | -71.8 | 94.4 | 163.6 | 0 | 0 | 0 | 0 | 0 | 108.1 | E13 N17 | E13-G15 PolarHBondContact O-N 2.77Å; E13-G15 VanDerWaalsContact O-N 3.11Å; G15-N17 PolarHBondContact O-N 2.97Å |
| 16 | M | 59.6 | Low | 60.2 | Low | 171 Ų | 171 | 149 Ų | 149 | 84% | 0.842 | 79% | 0.79 | S | S | * | * | | | trans | -67.4 | 79.8 | 161.7 | -78.3 | -173.8 | 68.8 | 0 | 0 | 107.8 | V14 G18 | V14-M16 HydrophobicContact CG1-CG 4.28Å; V14-M16 PolarHBondContact O-N 2.96Å; V14-M16 VanDerWaalsContact O-N 3.1Å; M16-G18 PolarHBondContact O-N 3.16Å |
| 17 | N | 59 | Low | 59.7 | Low | 145 Ų | 145 | 146.7 Ų | 146.7 | 78% | 0.775 | 78% | 0.782 | S | S | * | * | | | trans | -66.6 | 89.1 | 164.5 | -73.3 | -1.2 | 0 | 0 | 0 | 106.4 | G15 C19 | G15-N17 PolarHBondContact O-N 2.97Å; N17-C19 PolarHBondContact O-N 2.76Å |
| 18 | G | 57.5 | Low | 59.2 | Low | 73 Ų | 73 | 151.7 Ų | 151.7 | 75% | 0.753 | 78% | 0.784 | S | S | * | * | S | Bend | trans | -69.6 | 49.5 | -170.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | M16 | M16-G18 PolarHBondContact O-N 3.16Š|
| 19 | C | 59.8 | Low | 58.9 | Low | 118 Ų | 118 | 147.8 Ų | 147.8 | 80% | 0.797 | 78% | 0.777 | S | S | * | * | | | trans | -158 | 79.6 | 159.3 | -94.1 | 0 | 0 | 0 | 0 | 106.9 | N17 K21 | N17-C19 PolarHBondContact O-N 2.76Å; C19-K21 PolarHBondContact O-N 3.03Å |
| 20 | Q | 61.2 | Low | 58.9 | Low | 192 Ų | 192 | 145.4 Ų | 145.4 | 90% | 0.897 | 76% | 0.761 | S | S | * | * | | | trans | -57.9 | 114.9 | 160.5 | -74.9 | 176.3 | -66.8 | 0 | 0 | 106.1 | A22 | Q20-A22 PolarHBondContact O-N 2.72Å; Q20-A22 VanDerWaalsContact O-N 3.11Å |
| 21 | K | 59.3 | Low | 58.6 | Low | 195 Ų | 195 | 141.9 Ų | 141.9 | 85% | 0.848 | 75% | 0.751 | S | S | * | * | | | trans | -50.9 | 122.7 | 168.7 | -77.1 | -180 | 175.9 | 178.9 | 0 | 106.1 | C19 E23 | C19-K21 PolarHBondContact O-N 3.03Å; K21-E23 PolarHBondContact O-N 2.97Å |
| 22 | A | 60.3 | Low | 58.5 | Low | 91 Ų | 91 | 139.5 Ų | 139.5 | 75% | 0.752 | 76% | 0.755 | S | S | * | * | | | trans | -61.7 | 96.3 | 169.1 | 0 | 0 | 0 | 0 | 0 | 106.2 | Q20 Y24 | Q20-A22 PolarHBondContact O-N 2.72Å; Q20-A22 VanDerWaalsContact O-N 3.11Å; A22-Y24 PolarHBondContact O-N 3.1Å |
| 23 | E | 58.8 | Low | 58.5 | Low | 172 Ų | 172 | 141.7 Ų | 141.7 | 80% | 0.804 | 76% | 0.756 | S | S | * | * | | | trans | -52.7 | 130.6 | 164.2 | -69.6 | 179.3 | 175.5 | 0 | 0 | 105.5 | K21 S25 | K21-E23 PolarHBondContact O-N 2.97Å; E23-S25 PolarHBondContact O-N 3.15Å |
| 24 | Y | 59.3 | Low | 58.5 | Low | 235 Ų | 235 | 137.1 Ų | 137.1 | 92% | 0.922 | 74% | 0.737 | S | S | * | * | | | trans | -65.4 | 73.5 | 175 | -73.8 | -87.7 | 0 | 0 | 0 | 108.6 | A22 N26 | A22-Y24 PolarHBondContact O-N 3.1Å; Y24-N26 PolarHBondContact O-N 2.99Å |
| 25 | S | 58.8 | Low | 58.5 | Low | 68 Ų | 68 | 135.9 Ų | 135.9 | 48% | 0.476 | 74% | 0.735 | S | S | . | * | | | trans | -73.8 | 113.3 | 168.7 | -175.5 | 0 | 0 | 0 | 0 | 105.5 | E23 T27 | E23-S25 PolarHBondContact O-N 3.15Å; S25-T27 PolarHBondContact O-N 3.44Å; S25-T27 PolarHBondContact OG-N 2.94Å; S25-T27 PolarHBondContact OG-OG1 2.8Å |
| 26 | N | 58.4 | Low | 58.9 | Low | 170 Ų | 170 | 141.3 Ų | 141.3 | 91% | 0.909 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -61.1 | 5.7 | 168.2 | -89.9 | -30.3 | 0 | 0 | 0 | 112.8 | Y24 W28 | Y24-N26 PolarHBondContact O-N 2.99Å; N26-W28 PolarHBondContact O-N 3.18Å |
| 27 | T | 61.2 | Low | 58.7 | Low | 103 Ų | 103 | 138.5 Ų | 138.5 | 63% | 0.632 | 74% | 0.735 | S | S | * | * | | | trans | -88.9 | 49.7 | 169.9 | 70.5 | 0 | 0 | 0 | 0 | 111.3 | S25 T29 | S25-T27 PolarHBondContact O-N 3.44Å; S25-T27 PolarHBondContact OG-N 2.94Å; S25-T27 PolarHBondContact OG-OG1 2.8Å; T27-T29 PolarHBondContact O-N 2.89Å |
| 28 | W | 56.2 | Low | 58.7 | Low | 232 Ų | 232 | 138.7 Ų | 138.7 | 88% | 0.879 | 73% | 0.729 | S | S | * | * | | | trans | -69 | 85.2 | 161.1 | -155.1 | -75.9 | 0 | 0 | 0 | 107.3 | N26 P30 | N26-W28 PolarHBondContact O-N 3.18Å; W28-P30 WeakPolarHBondContact O-CD 3.12Å |
| 29 | T | 63.1 | Low | 59.1 | Low | 109 Ų | 109 | 144.4 Ų | 144.4 | 67% | 0.669 | 73% | 0.734 | S | S | * | * | | | trans | -71.5 | 112.2 | 174.9 | -53 | 0 | 0 | 0 | 0 | 105.8 | T27 I31 | T27-T29 PolarHBondContact O-N 2.89Å; T29-I31 PolarHBondContact O-N 2.88Å |
| 30 | P | 59.5 | Low | 59.1 | Low | 58 Ų | 58 | 149 Ų | 149 | 38% | 0.377 | 73% | 0.734 | S | S | . | * | | | trans | -62.7 | 108.9 | 178.6 | 25.4 | -32 | 0 | 0 | 0 | 107.8 | W28 C32 R33 | W28-P30 WeakPolarHBondContact O-CD 3.12Å; P30-C32 PolarHBondContact O-N 3.41Å; P30-R33 HydrophobicContact CG-CG 4.12Å; P30-R33 PolarHBondContact O-N 3.25Å |
| 31 | I | 60.4 | Low | 59.2 | Low | 138 Ų | 138 | 144.8 Ų | 144.8 | 71% | 0.708 | 72% | 0.723 | S | S | * | * | G | 310 helix | trans | -55.7 | -20.3 | 178.6 | -58 | 173.9 | 0 | 0 | 0 | 110.5 | T29 R33 | T29-I31 PolarHBondContact O-N 2.88Å; I31-R33 PolarHBondContact O-N 2.62Å |
| 32 | C | 56.8 | Low | 59.3 | Low | 128 Ų | 128 | 142.1 Ų | 142.1 | 87% | 0.865 | 72% | 0.717 | S | S | * | * | G | 310 helix | trans | -80 | -4 | -176.7 | -45.2 | 0 | 0 | 0 | 0 | 115.7 | P30 | P30-C32 PolarHBondContact O-N 3.41Š|
| 33 | R | 55.5 | Low | 59.4 | Low | 212 Ų | 212 | 149.5 Ų | 149.5 | 80% | 0.8 | 73% | 0.725 | S | S | * | * | G | 310 helix | trans | -90.5 | -24.1 | -176.3 | -82.1 | -170.5 | 177.8 | 164.4 | -0 | 115.5 | P30 I31 | P30-R33 HydrophobicContact CG-CG 4.12Å; P30-R33 PolarHBondContact O-N 3.25Å; I31-R33 PolarHBondContact O-N 2.62Å |
| 34 | N | 55.1 | Low | 59.3 | Low | 87 Ų | 87 | 147.5 Ų | 147.5 | 47% | 0.465 | 72% | 0.72 | S | S | . | * | | | trans | -102.9 | 111.5 | 178.9 | -97.3 | 10.9 | 0 | 0 | 0 | 110.7 | E36 N37 | N34-E36 HydrophobicContact CB-CB 4.37Å; N34-E36 PolarHBondContact O-N 3.28Å; N34-E36 VanDerWaalsContact O-N 3.15Å; N34-N37 PolarHBondContact O-N 3.3Å |
| 35 | S | 59.3 | Low | 59.4 | Low | 108 Ų | 108 | 143 Ų | 143 | 76% | 0.755 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.1 | -18.4 | 166.2 | 53.7 | 0 | 0 | 0 | 0 | 112.5 | F38 | S35-F38 PolarHBondContact O-N 2.63Š|
| 36 | E | 58.3 | Low | 59.4 | Low | 162 Ų | 162 | 148.8 Ų | 148.8 | 76% | 0.757 | 73% | 0.734 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.9 | -32.5 | 168.8 | -76.5 | -177.2 | 101.4 | 0 | 0 | 113.8 | N34 F38 | N34-E36 HydrophobicContact CB-CB 4.37Å; N34-E36 PolarHBondContact O-N 3.28Å; N34-E36 VanDerWaalsContact O-N 3.15Å; E36-F38 VanDerWaalsContact C-N 3.32Å |
| 37 | N | 54.3 | Low | 59.8 | Low | 113 Ų | 113 | 148.2 Ų | 148.2 | 60% | 0.604 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.2 | -19 | 176.7 | -77.2 | -61.9 | 0 | 0 | 0 | 112.3 | N34 K39 | N34-N37 PolarHBondContact O-N 3.3Å; N37-K39 VanDerWaalsContact C-N 3.3Å; N37-K39 PolarHBondContact O-N 3.11Å |
| 38 | F | 60.2 | Low | 60.2 | Low | 148 Ų | 148 | 154.1 Ų | 154.1 | 65% | 0.649 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -79.9 | 85 | 172.8 | -155.7 | -94.9 | 0 | 0 | 0 | 108.2 | S35 E36 R40 | S35-F38 PolarHBondContact O-N 2.63Å; E36-F38 VanDerWaalsContact C-N 3.32Å; F38-R40 VanDerWaalsContact C-N 3.27Å; F38-R40 PolarHBondContact O-N 2.78Å |
| 39 | K | 66 | Low | 60.6 | Low | 194 Ų | 194 | 147.7 Ų | 147.7 | 84% | 0.843 | 73% | 0.733 | S | S | * | * | | | trans | -54.1 | 102.1 | 161.3 | -71.7 | -175.8 | -178.6 | 179.6 | 0 | 105.9 | N37 | N37-K39 VanDerWaalsContact C-N 3.3Å; N37-K39 PolarHBondContact O-N 3.11Å |
| 40 | R | 59.7 | Low | 60.6 | Low | 215 Ų | 215 | 157.6 Ų | 157.6 | 81% | 0.811 | 76% | 0.758 | S | S | * | * | | | trans | -48.4 | 131.7 | 174 | -67.8 | -179.7 | 179.8 | -172.2 | -0.4 | 105.9 | F38 I42 | F38-R40 VanDerWaalsContact C-N 3.27Å; F38-R40 PolarHBondContact O-N 2.78Å; R40-I42 PolarHBondContact O-N 3.04Å |
| 41 | P | 62.5 | Low | 60.7 | Low | 103 Ų | 103 | 162.6 Ų | 162.6 | 67% | 0.669 | 78% | 0.777 | S | S | * | * | | | trans | -51.2 | 122.2 | 176.9 | 19.9 | -30.3 | 0 | 0 | 0 | 106.9 | R43 | P41-R43 PolarHBondContact O-N 2.79Š|
| 42 | I | 62.4 | Low | 60.7 | Low | 138 Ų | 138 | 163.8 Ų | 163.8 | 71% | 0.708 | 78% | 0.781 | S | S | * | * | | | trans | -56.3 | 115.9 | -179.7 | -60.9 | 175.2 | 0 | 0 | 0 | 104.7 | R40 N44 | R40-I42 PolarHBondContact O-N 3.04Å; I42-N44 HydrophobicContact CG2-CB 3.76Å; I42-N44 PolarHBondContact O-N 2.83Å |
| 43 | R | 61.3 | Low | 60.9 | Low | 247 Ų | 247 | 165.8 Ų | 165.8 | 93% | 0.932 | 78% | 0.776 | S | S | * | * | | | trans | -70.5 | 47.1 | 173 | -77.7 | -173.1 | 174.3 | -177.4 | -1.3 | 109.9 | P41 N45 | P41-R43 PolarHBondContact O-N 2.79Å; R43-N45 VanDerWaalsContact C-N 3.28Å; R43-N45 PolarHBondContact O-N 2.8Å; R43-N45 VanDerWaalsContact O-N 3.16Å |
| 44 | N | 57.2 | Low | 61.2 | Low | 130 Ų | 130 | 163.1 Ų | 163.1 | 70% | 0.695 | 77% | 0.774 | S | S | * | * | | | trans | -87.4 | 86.3 | 167.1 | -79.9 | 4.8 | 0 | 0 | 0 | 105.8 | I42 M46 | I42-N44 HydrophobicContact CG2-CB 3.76Å; I42-N44 PolarHBondContact O-N 2.83Å; N44-M46 PolarHBondContact O-N 3.1Å |
| 45 | N | 60.5 | Low | 61.6 | Low | 139 Ų | 139 | 167.9 Ų | 167.9 | 74% | 0.743 | 79% | 0.794 | S | S | * | * | | | trans | 49.2 | 54.3 | 141.2 | -138.3 | 29.6 | 0 | 0 | 0 | 114.2 | R43 Q47 | R43-N45 VanDerWaalsContact C-N 3.28Å; R43-N45 PolarHBondContact O-N 2.8Å; R43-N45 VanDerWaalsContact O-N 3.16Å; N45-Q47 PolarHBondContact O-N 3.11Å |
| 46 | M | 59.7 | Low | 61.8 | Low | 190 Ų | 190 | 171.9 Ų | 171.9 | 94% | 0.936 | 80% | 0.796 | S | S | * | * | | | trans | -66.8 | 72.8 | 157 | -78.1 | -162.6 | -68.2 | 0 | 0 | 107.3 | N44 R48 | N44-M46 PolarHBondContact O-N 3.1Å; M46-R48 VanDerWaalsContact C-N 3.34Å; M46-R48 PolarHBondContact O-N 3.29Å |
| 47 | Q | 67.6 | Low | 62 | Low | 158 Ų | 158 | 172.6 Ų | 172.6 | 74% | 0.738 | 80% | 0.799 | S | S | * | * | | | trans | -61.4 | 106.3 | 164.6 | -175.4 | 173.4 | -4.1 | 0 | 0 | 104.7 | N45 A49 | N45-Q47 PolarHBondContact O-N 3.11Å; Q47-A49 PolarHBondContact O-N 3.11Å; Q47-A49 VanDerWaalsContact O-N 3.1Å |
| 48 | R | 68.4 | Low | 62.6 | Low | 227 Ų | 227 | 177.2 Ų | 177.2 | 86% | 0.857 | 81% | 0.814 | S | S | * | * | | | trans | -49 | 120.2 | 173.6 | -161.5 | 175.4 | -170.6 | 166 | 1.5 | 106.7 | M46 R50 | M46-R48 VanDerWaalsContact C-N 3.34Å; M46-R48 PolarHBondContact O-N 3.29Å; R48-R50 PolarHBondContact O-N 3.03Å; R48-R50 VanDerWaalsContact O-N 3.15Å |
| 49 | A | 65.6 | Low | 62.8 | Low | 98 Ų | 98 | 179.6 Ų | 179.6 | 81% | 0.81 | 83% | 0.828 | S | S | * | * | | | trans | -51.5 | 124.5 | 172.1 | 0 | 0 | 0 | 0 | 0 | 107.5 | Q47 | Q47-A49 PolarHBondContact O-N 3.11Å; Q47-A49 VanDerWaalsContact O-N 3.1Å |
| 50 | R | 62.7 | Low | 62.5 | Low | 316 Ų | 316 | 178.3 Ų | 178.3 | 100% | 1.192 | 83% | 0.827 | S | S | * | * | | | trans | -89 | 0 | 169 | -75.8 | -171.5 | -179.5 | -167 | 0.6 | 108.4 | R48 | R48-R50 PolarHBondContact O-N 3.03Å; R48-R50 VanDerWaalsContact O-N 3.15Å |