| 1 | M | 43.1 | Very low | 58.5 | Low | 244 Ų | 244 | 156.5 Ų | 156.5 | 100% | 1.202 | 84% | 0.836 | S | S | * | * | | | | 0 | 114.3 | 0 | -64.2 | 173.1 | 75 | 0 | 0 | 107.3 | | |
| 2 | S | 55.4 | Low | 58.7 | Low | 128 Ų | 128 | 162.5 Ų | 162.5 | 90% | 0.895 | 85% | 0.849 | S | S | * | * | | | trans | -79.7 | 123.1 | -178.1 | 174.4 | 0 | 0 | 0 | 0 | 110.3 | | |
| 3 | S | 54.5 | Low | 59.3 | Low | 119 Ų | 119 | 156.8 Ų | 156.8 | 83% | 0.832 | 83% | 0.831 | S | S | * | * | | | trans | -82 | 113.2 | 169.6 | 58.8 | 0 | 0 | 0 | 0 | 110 | | |
| 4 | G | 57.2 | Low | 59.6 | Low | 73 Ų | 73 | 151.9 Ų | 151.9 | 75% | 0.753 | 84% | 0.837 | S | S | * | * | | | trans | -129.4 | 99.8 | 170.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | S6 | G4-S6 PolarHBondContact O-N 2.89Š|
| 5 | K | 61.8 | Low | 60 | Low | 212 Ų | 212 | 146.2 Ų | 146.2 | 92% | 0.922 | 83% | 0.827 | S | S | * | * | | | trans | -63.4 | 125.2 | 176.2 | -73 | 170.8 | 174.7 | 174.3 | 0 | 110.7 | | |
| 6 | S | 60 | Low | 60 | Low | 74 Ų | 74 | 144.3 Ų | 144.3 | 52% | 0.517 | 82% | 0.822 | S | S | . | * | | | trans | -157.2 | 94.1 | 150.7 | -131.4 | 0 | 0 | 0 | 0 | 110.3 | G4 R8 | G4-S6 PolarHBondContact O-N 2.89Å; S6-R8 PolarHBondContact O-N 3.45Å; S6-R8 PolarHBondContact OG-NE 2.9Å; S6-R8 WeakPolarHBondContact OG-CG 3.08Å |
| 7 | A | 60.7 | Low | 59.9 | Low | 115 Ų | 115 | 141.5 Ų | 141.5 | 95% | 0.95 | 81% | 0.813 | S | S | * | * | | | trans | -72.1 | 63.8 | 160.8 | 0 | 0 | 0 | 0 | 0 | 108.7 | | |
| 8 | R | 64.1 | Low | 59.6 | Low | 183 Ų | 183 | 142.4 Ų | 142.4 | 69% | 0.691 | 82% | 0.816 | S | S | * | * | | | trans | -92.1 | 120.3 | 162.7 | -33.3 | -165 | -157.2 | 178.8 | 9.2 | 103 | S6 | S6-R8 PolarHBondContact O-N 3.45Å; S6-R8 PolarHBondContact OG-NE 2.9Å; S6-R8 WeakPolarHBondContact OG-CG 3.08Å |
| 9 | Y | 54.9 | Low | 59.7 | Low | 206 Ų | 206 | 142.2 Ų | 142.2 | 81% | 0.808 | 81% | 0.81 | S | S | * | * | | | cis | -170.4 | 114.9 | 33.7 | 11.1 | -99.2 | 0 | 0 | 0 | 103.2 | | |
| 10 | N | 67.3 | Low | 59.7 | Low | 148 Ų | 148 | 141 Ų | 141 | 79% | 0.791 | 81% | 0.808 | S | S | * | * | | | trans | -68.6 | 137.9 | 162.9 | -156.4 | 19.9 | 0 | 0 | 0 | 107 | | |
| 11 | R | 64.6 | Low | 59.3 | Low | 220 Ų | 220 | 140.4 Ų | 140.4 | 83% | 0.83 | 81% | 0.807 | S | S | * | * | | | trans | 179 | 17.2 | 153.6 | -102.1 | -173 | -57.1 | -162.9 | 12.2 | 118.1 | S13 | R11-S13 PolarHBondContact O-N 2.91Š|
| 12 | F | 60.3 | Low | 59.9 | Low | 228 Ų | 228 | 134 Ų | 134 | 100% | 1 | 78% | 0.784 | S | S | * | * | | | trans | -77.3 | 65.8 | 156.2 | -72.6 | -72.1 | 0 | 0 | 0 | 109.2 | | |
| 13 | S | 66.6 | Low | 59.5 | Low | 88 Ų | 88 | 135 Ų | 135 | 62% | 0.615 | 78% | 0.779 | S | S | * | * | | | trans | -120.8 | 99 | 172 | 62.5 | 0 | 0 | 0 | 0 | 109.1 | R11 | R11-S13 PolarHBondContact O-N 2.91Š|
| 14 | G | 63.5 | Low | 59.7 | Low | 88 Ų | 88 | 135.7 Ų | 135.7 | 91% | 0.907 | 78% | 0.778 | S | S | * | * | | | trans | 54.3 | 116 | 146.1 | 0 | 0 | 0 | 0 | 0 | 120.3 | | |
| 15 | G | 66.6 | Low | 59.7 | Low | 67 Ų | 67 | 137.5 Ų | 137.5 | 69% | 0.691 | 78% | 0.775 | S | S | * | * | | | trans | 176.3 | 142.2 | 157.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 16 | P | 58.6 | Low | 59.4 | Low | 116 Ų | 116 | 134.2 Ų | 134.2 | 75% | 0.753 | 77% | 0.773 | S | S | * | * | | | trans | -64.7 | 146.9 | -162.8 | 27.3 | -35.2 | 0 | 0 | 0 | 113.8 | N18 | P16-N18 PolarHBondContact O-N 3.14Å; P16-N18 VanDerWaalsContact O-N 3.14Å |
| 17 | S | 59.5 | Low | 59.2 | Low | 96 Ų | 96 | 133.6 Ų | 133.6 | 67% | 0.671 | 78% | 0.779 | S | S | * | * | | | trans | -60.6 | 105.1 | 174.1 | 52.3 | 0 | 0 | 0 | 0 | 111.4 | L19 | S17-L19 PolarHBondContact O-N 3Š|
| 18 | N | 53.3 | Low | 58.7 | Low | 159 Ų | 159 | 134.4 Ų | 134.4 | 85% | 0.85 | 77% | 0.772 | S | S | * | * | | | trans | -78.8 | 81.8 | 165.2 | -72.4 | -43.9 | 0 | 0 | 0 | 108.6 | P16 | P16-N18 PolarHBondContact O-N 3.14Å; P16-N18 VanDerWaalsContact O-N 3.14Å |
| 19 | L | 61.6 | Low | 58.2 | Low | 137 Ų | 137 | 135.5 Ų | 135.5 | 72% | 0.717 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -53.7 | 138.5 | 161.4 | -68.1 | 159.3 | 0 | 0 | 0 | 108.3 | S17 T21 | S17-L19 PolarHBondContact O-N 3Å; L19-T21 PolarHBondContact O-N 3.15Å; L19-T21 VanDerWaalsContact O-N 3.15Å |
| 20 | P | 59.6 | Low | 58.1 | Low | 119 Ų | 119 | 134.1 Ų | 134.1 | 77% | 0.773 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 123.7 | 171.8 | 24.6 | -31.2 | 0 | 0 | 0 | 108.7 | | |
| 21 | T | 53.1 | Low | 57.9 | Low | 128 Ų | 128 | 132.7 Ų | 132.7 | 79% | 0.785 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -54 | 123.8 | 170.8 | -41.5 | 0 | 0 | 0 | 0 | 108.2 | L19 D23 | L19-T21 PolarHBondContact O-N 3.15Å; L19-T21 VanDerWaalsContact O-N 3.15Å; T21-D23 PolarHBondContact O-N 3.05Å |
| 22 | P | 55.2 | Low | 57.8 | Low | 110 Ų | 110 | 127.9 Ų | 127.9 | 71% | 0.714 | 76% | 0.763 | S | S | * | * | | | trans | -68.8 | 109.7 | 171.1 | 27.5 | -31 | 0 | 0 | 0 | 107.3 | V24 | P22-V24 PolarHBondContact O-N 3.02Š|
| 23 | D | 45.6 | Very low | 58.2 | Low | 149 Ų | 149 | 122.5 Ų | 122.5 | 80% | 0.797 | 75% | 0.748 | S | S | * | * | | | trans | -63.3 | 105.6 | 171.8 | -151.7 | -60.9 | 0 | 0 | 0 | 107.7 | T21 T25 | T21-D23 PolarHBondContact O-N 3.05Å; D23-T25 PolarHBondContact O-N 3.01Å; D23-T25 VanDerWaalsContact C-N 3.27Å |
| 24 | V | 59.5 | Low | 57.6 | Low | 133 Ų | 133 | 127.4 Ų | 127.4 | 81% | 0.806 | 76% | 0.759 | S | S | * | * | | | trans | -77.1 | 84.6 | 175.3 | 174.7 | 0 | 0 | 0 | 0 | 106.6 | P22 | P22-V24 PolarHBondContact O-N 3.02Š|
| 25 | T | 56.8 | Low | 57.7 | Low | 112 Ų | 112 | 125.6 Ų | 125.6 | 69% | 0.687 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -163.8 | 112.2 | 151 | -70.5 | 0 | 0 | 0 | 0 | 108.2 | D23 | D23-T25 PolarHBondContact O-N 3.01Å; D23-T25 VanDerWaalsContact C-N 3.27Å |
| 26 | T | 56.2 | Low | 57.3 | Low | 142 Ų | 142 | 128.5 Ų | 128.5 | 87% | 0.871 | 75% | 0.747 | S | S | * | * | S | Bend | trans | 94.5 | 99.6 | 170 | -37.8 | 0 | 0 | 0 | 0 | 116.4 | | |
| 27 | G | 56.9 | Low | 57.6 | Low | 62 Ų | 62 | 126.4 Ų | 126.4 | 64% | 0.639 | 74% | 0.739 | S | S | * | * | S | Bend | trans | 115.8 | 91.4 | 146.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 28 | T | 49.4 | Very low | 57.3 | Low | 131 Ų | 131 | 130.9 Ų | 130.9 | 80% | 0.804 | 75% | 0.747 | S | S | * | * | | | trans | 57.5 | 87 | 157.6 | 45.8 | 0 | 0 | 0 | 0 | 117.2 | M30 | T28-M30 PolarHBondContact O-N 2.99Š|
| 29 | R | 52.4 | Low | 57.6 | Low | 206 Ų | 206 | 128.8 Ų | 128.8 | 78% | 0.777 | 75% | 0.745 | S | S | * | * | | | trans | -50.1 | 102.4 | 149.5 | 175.6 | -171.3 | 164.2 | 132.5 | -10.3 | 108.7 | E31 | R29-E31 HydrophobicContact CG-CG 3.97Å; R29-E31 IonicContact CZ-OE1 3.04Å; R29-E31 IonicContact NE-OE1 2.67Å; R29-E31 PolarHBondContact NE-OE1 3.01Å; R29-E31 IonicContact NH2-OE1 2.71Å; R29-E31 PolarHBondContact NH2-OE1 3.06Å; R29-E31 PolarHBondContact O-N 3.23Å |
| 30 | M | 53 | Low | 57.4 | Low | 177 Ų | 177 | 126.2 Ų | 126.2 | 87% | 0.872 | 74% | 0.744 | S | S | * | * | | | trans | -80.5 | 99 | 155.9 | -75 | -169.4 | 168.5 | 0 | 0 | 106.1 | T28 T32 | T28-M30 PolarHBondContact O-N 2.99Å; M30-T32 PolarHBondContact O-N 2.67Å; M30-T32 VanDerWaalsContact O-N 3.1Å |
| 31 | E | 63.6 | Low | 57.1 | Low | 119 Ų | 119 | 127 Ų | 127 | 56% | 0.556 | 75% | 0.746 | S | S | * | * | | | trans | -55.8 | 117.5 | 172.3 | -34 | -163 | 116.7 | 0 | 0 | 107 | R29 T33 | R29-E31 HydrophobicContact CG-CG 3.97Å; R29-E31 IonicContact CZ-OE1 3.04Å; R29-E31 IonicContact NE-OE1 2.67Å; R29-E31 PolarHBondContact NE-OE1 3.01Å; R29-E31 IonicContact NH2-OE1 2.71Å; R29-E31 PolarHBondContact NH2-OE1 3.06Å; R29-E31 PolarHBondContact O-N 3.23Å; E31-T33 PolarHBondContact O-N 3.3Å |
| 32 | T | 63.4 | Low | 57.4 | Low | 119 Ų | 119 | 126.5 Ų | 126.5 | 73% | 0.73 | 74% | 0.743 | S | S | * | * | | | trans | -66.1 | 88.2 | 171.5 | 133.8 | 0 | 0 | 0 | 0 | 106.6 | M30 F34 | M30-T32 PolarHBondContact O-N 2.67Å; M30-T32 VanDerWaalsContact O-N 3.1Å; T32-F34 PolarHBondContact O-N 2.71Å |
| 33 | T | 67.6 | Low | 57.3 | Low | 114 Ų | 114 | 127.3 Ų | 127.3 | 70% | 0.699 | 75% | 0.746 | S | S | * | * | | | trans | -74.4 | 108.9 | 168.3 | -62.9 | 0 | 0 | 0 | 0 | 106.3 | E31 G35 | E31-T33 PolarHBondContact O-N 3.3Å; T33-G35 VanDerWaalsContact C-N 3.34Å; T33-G35 PolarHBondContact O-N 3.1Å |
| 34 | F | 54.1 | Low | 57.7 | Low | 191 Ų | 191 | 127.7 Ų | 127.7 | 84% | 0.838 | 75% | 0.746 | S | S | * | * | | | trans | -48.3 | 103.2 | 162.7 | -77.6 | -96.2 | 0 | 0 | 0 | 107.9 | T32 | T32-F34 PolarHBondContact O-N 2.71Š|
| 35 | G | 65.7 | Low | 57.6 | Low | 50 Ų | 50 | 127.2 Ų | 127.2 | 52% | 0.515 | 74% | 0.744 | S | S | . | * | P | Polyproline II helix | trans | -59.5 | 160.8 | 165.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | T33 A37 | T33-G35 VanDerWaalsContact C-N 3.34Å; T33-G35 PolarHBondContact O-N 3.1Å; G35-A37 PolarHBondContact O-N 2.79Å |
| 36 | P | 58.1 | Low | 57.5 | Low | 129 Ų | 129 | 131 Ų | 131 | 84% | 0.838 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -48.5 | 116.3 | -171.4 | -25.3 | 32.2 | 0 | 0 | 0 | 111.9 | | |
| 37 | A | 65.6 | Low | 57.4 | Low | 71 Ų | 71 | 128.3 Ų | 128.3 | 59% | 0.587 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -59.9 | 136.8 | 158.9 | 0 | 0 | 0 | 0 | 0 | 106.5 | G35 | G35-A37 PolarHBondContact O-N 2.79Š|
| 38 | F | 53.3 | Low | 57.5 | Low | 191 Ų | 191 | 133 Ų | 133 | 84% | 0.838 | 75% | 0.754 | S | S | * | * | S | Bend | trans | 63.5 | 112.8 | -178.2 | 50.4 | -91 | 0 | 0 | 0 | 117.4 | A40 | F38-A40 PolarHBondContact O-N 2.84Š|
| 39 | S | 58.9 | Low | 58.2 | Low | 114 Ų | 114 | 130.5 Ų | 130.5 | 80% | 0.797 | 75% | 0.754 | S | S | * | * | | | trans | -57.4 | 123.4 | 169.5 | -177.8 | 0 | 0 | 0 | 0 | 110.5 | V41 | S39-V41 PolarHBondContact O-N 3.37Š|
| 40 | A | 57.3 | Low | 58.5 | Low | 84 Ų | 84 | 127 Ų | 127 | 69% | 0.694 | 76% | 0.755 | S | S | * | * | | | trans | -62 | 111.1 | 170 | 0 | 0 | 0 | 0 | 0 | 109 | F38 T42 | F38-A40 PolarHBondContact O-N 2.84Å; A40-T42 PolarHBondContact O-N 3.1Å; A40-T42 VanDerWaalsContact O-N 3.1Å |
| 41 | V | 53 | Low | 58.9 | Low | 136 Ų | 136 | 123.3 Ų | 123.3 | 82% | 0.824 | 75% | 0.747 | S | S | * | * | | | trans | -68.6 | 102.1 | 168.9 | 170.8 | 0 | 0 | 0 | 0 | 107.2 | S39 | S39-V41 PolarHBondContact O-N 3.37Š|
| 42 | T | 59.6 | Low | 58.6 | Low | 117 Ų | 117 | 122.1 Ų | 122.1 | 72% | 0.718 | 75% | 0.747 | S | S | * | * | | | trans | -81.8 | 114.6 | 169.9 | 35.1 | 0 | 0 | 0 | 0 | 109.1 | A40 I44 | A40-T42 PolarHBondContact O-N 3.1Å; A40-T42 VanDerWaalsContact O-N 3.1Å; T42-I44 VanDerWaalsContact O-N 3.16Å; T42-I44 PolarHBondContact O-N 3.16Å |
| 43 | T | 52.6 | Low | 58.4 | Low | 127 Ų | 127 | 125.3 Ų | 125.3 | 78% | 0.779 | 75% | 0.747 | S | S | * | * | | | trans | -65.4 | 111.1 | 168.4 | 45.4 | 0 | 0 | 0 | 0 | 109 | T45 | T43-T45 PolarHBondContact O-N 3.03Å; T43-T45 VanDerWaalsContact O-N 3.12Å |
| 44 | I | 55.5 | Low | 58.4 | Low | 157 Ų | 157 | 126 Ų | 126 | 81% | 0.805 | 74% | 0.741 | S | S | * | * | | | trans | -74 | 98.9 | 177.5 | -57.4 | 171.1 | 0 | 0 | 0 | 108.2 | T42 | T42-I44 VanDerWaalsContact O-N 3.16Å; T42-I44 PolarHBondContact O-N 3.16Å |
| 45 | T | 56.4 | Low | 59.3 | Low | 122 Ų | 122 | 124.2 Ų | 124.2 | 75% | 0.748 | 74% | 0.735 | S | S | * | * | | | trans | -68.9 | 129.9 | 159.6 | -55.8 | 0 | 0 | 0 | 0 | 107.2 | T43 A47 | T43-T45 PolarHBondContact O-N 3.03Å; T43-T45 VanDerWaalsContact O-N 3.12Å; T45-A47 PolarHBondContact O-N 3.24Å |
| 46 | K | 54.7 | Low | 59.3 | Low | 192 Ų | 192 | 127.6 Ų | 127.6 | 84% | 0.835 | 74% | 0.737 | S | S | * | * | | | trans | -60.5 | 97.6 | 178.7 | -60.9 | -170.7 | -172.2 | 178.1 | 0 | 109.2 | | |
| 47 | A | 55.3 | Low | 59.6 | Low | 85 Ų | 85 | 127.6 Ų | 127.6 | 70% | 0.702 | 74% | 0.739 | S | S | * | * | | | trans | -91.6 | 111.3 | 164.1 | 0 | 0 | 0 | 0 | 0 | 106.4 | T45 G49 | T45-A47 PolarHBondContact O-N 3.24Å; A47-G49 PolarHBondContact O-N 2.91Å; A47-G49 VanDerWaalsContact O-N 3.12Å |
| 48 | D | 57.8 | Low | 59.9 | Low | 162 Ų | 162 | 134.3 Ų | 134.3 | 87% | 0.866 | 75% | 0.749 | S | S | * | * | | | trans | -58.2 | 115.2 | 179.9 | -81.2 | -35.5 | 0 | 0 | 0 | 110.7 | | |
| 49 | G | 64.9 | Low | 60.7 | Low | 78 Ų | 78 | 130.8 Ų | 130.8 | 80% | 0.804 | 74% | 0.743 | S | S | * | * | | | trans | 72 | 44.1 | 143.4 | 0 | 0 | 0 | 0 | 0 | 118.5 | A47 S51 | A47-G49 PolarHBondContact O-N 2.91Å; A47-G49 VanDerWaalsContact O-N 3.12Å; G49-S51 PolarHBondContact O-N 3.46Å |
| 50 | T | 58.9 | Low | 60.7 | Low | 132 Ų | 132 | 130.9 Ų | 130.9 | 81% | 0.81 | 74% | 0.741 | S | S | * | * | | | trans | -90.7 | 95.9 | 155.2 | 26.6 | 0 | 0 | 0 | 0 | 109.5 | T52 | T50-T52 PolarHBondContact O-N 2.87Å; T50-T52 VanDerWaalsContact O-N 3.17Å |
| 51 | S | 59.9 | Low | 60.9 | Low | 99 Ų | 99 | 131.7 Ų | 131.7 | 69% | 0.692 | 74% | 0.742 | S | S | * | * | | | trans | -59.4 | 114.4 | 173 | -177.8 | 0 | 0 | 0 | 0 | 109.8 | G49 Y53 | G49-S51 PolarHBondContact O-N 3.46Å; S51-Y53 PolarHBondContact O-N 3.11Å; S51-Y53 PolarHBondContact OG-N 2.67Å; S51-Y53 WeakPolarHBondContact OG-CB 3.35Å |
| 52 | T | 58.3 | Low | 61.1 | Low | 94 Ų | 94 | 131.6 Ų | 131.6 | 58% | 0.577 | 75% | 0.747 | S | S | * | * | | | trans | -73.9 | 45.7 | 164.6 | 50.5 | 0 | 0 | 0 | 0 | 110.1 | T50 K54 Q55 | T50-T52 PolarHBondContact O-N 2.87Å; T50-T52 VanDerWaalsContact O-N 3.17Å; T52-K54 PolarHBondContact O-N 2.96Å; T52-Q55 PolarHBondContact O-N 3.23Å; T52-Q55 VanDerWaalsContact O-N 3.11Å; T52-Q55 HydrophobicContact CG2-CG 4.25Å |
| 53 | Y | 59.1 | Low | 61.1 | Low | 186 Ų | 186 | 131 Ų | 131 | 73% | 0.729 | 75% | 0.747 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.1 | 93.3 | 177.4 | 177.1 | -105.3 | 0 | 0 | 0 | 108.2 | S51 | S51-Y53 PolarHBondContact O-N 3.11Å; S51-Y53 PolarHBondContact OG-N 2.67Å; S51-Y53 WeakPolarHBondContact OG-CB 3.35Å |
| 54 | K | 67.4 | Low | 61.3 | Low | 130 Ų | 130 | 130.1 Ų | 130.1 | 57% | 0.565 | 75% | 0.747 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 68.8 | 61.5 | -178.5 | -41.4 | -151.4 | -178.1 | -166.4 | 0 | 115 | T52 H56 | T52-K54 PolarHBondContact O-N 2.96Å; K54-H56 PolarHBondContact O-CD2 3.12Å; K54-H56 PolarHBondContact O-N 2.83Å; K54-H56 PolarHBondContact O-NE2 2.76Å |
| 55 | Q | 72.3 | Confident | 61.6 | Low | 153 Ų | 153 | 128.9 Ų | 128.9 | 72% | 0.715 | 75% | 0.747 | S | S | * | * | | | trans | -71 | 72.3 | 144.5 | -76.7 | -173.2 | -33.6 | 0 | 0 | 109.9 | T52 C57 | T52-Q55 PolarHBondContact O-N 3.23Å; T52-Q55 VanDerWaalsContact O-N 3.11Å; T52-Q55 HydrophobicContact CG2-CG 4.25Å; Q55-C57 PolarHBondContact O-N 3Å |
| 56 | H | 66.3 | Low | 61.7 | Low | 121 Ų | 121 | 128.8 Ų | 128.8 | 56% | 0.56 | 74% | 0.741 | S | S | * | * | | | trans | -74.8 | 99.7 | 160.3 | 21.2 | -146.9 | 0 | 0 | 0 | 108 | K54 R58 | K54-H56 PolarHBondContact O-CD2 3.12Å; K54-H56 PolarHBondContact O-N 2.83Å; K54-H56 PolarHBondContact O-NE2 2.76Å; H56-R58 PolarHBondContact O-N 3.41Å |
| 57 | C | 64.6 | Low | 62.1 | Low | 128 Ų | 128 | 123.6 Ų | 123.6 | 87% | 0.865 | 73% | 0.734 | S | S | * | * | | | trans | -51.4 | 102.1 | 166.1 | -60.7 | 0 | 0 | 0 | 0 | 108.6 | Q55 T59 | Q55-C57 PolarHBondContact O-N 3Å; C57-T59 PolarHBondContact O-N 2.89Å |
| 58 | R | 72.1 | Confident | 61.7 | Low | 212 Ų | 212 | 128.6 Ų | 128.6 | 80% | 0.8 | 74% | 0.736 | S | S | * | * | | | trans | -86.2 | 106.4 | 169.2 | -71.2 | -176.1 | 177.8 | -166 | -1.3 | 106.9 | H56 P60 | H56-R58 PolarHBondContact O-N 3.41Å; R58-P60 WeakPolarHBondContact O-CD 2.99Å |
| 59 | T | 69.8 | Low | 62 | Low | 117 Ų | 117 | 125.4 Ų | 125.4 | 72% | 0.718 | 73% | 0.726 | S | S | * | * | | | trans | -58.5 | 119.6 | 158.3 | -41.1 | 0 | 0 | 0 | 0 | 106.6 | C57 S61 | C57-T59 PolarHBondContact O-N 2.89Å; T59-S61 PolarHBondContact O-N 3.04Å |
| 60 | P | 59.2 | Low | 62.3 | Low | 116 Ų | 116 | 127.5 Ų | 127.5 | 75% | 0.753 | 73% | 0.725 | S | S | * | * | | | trans | -64.7 | 105.4 | 172.6 | 26.2 | -30.8 | 0 | 0 | 0 | 107.1 | R58 S62 | R58-P60 WeakPolarHBondContact O-CD 2.99Å; P60-S62 PolarHBondContact O-N 2.88Å |
| 61 | S | 61.4 | Low | 62.4 | Low | 102 Ų | 102 | 131.5 Ų | 131.5 | 71% | 0.713 | 73% | 0.726 | S | S | * | * | | | trans | -75 | 110.5 | 175.8 | -61.1 | 0 | 0 | 0 | 0 | 107.2 | T59 S63 | T59-S61 PolarHBondContact O-N 3.04Å; S61-S63 PolarHBondContact O-N 3.39Å |
| 62 | S | 57.2 | Low | 62.9 | Low | 134 Ų | 134 | 131.5 Ų | 131.5 | 94% | 0.937 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -73 | 16.9 | 178.1 | -77.1 | 0 | 0 | 0 | 0 | 114.1 | P60 | P60-S62 PolarHBondContact O-N 2.88Š|
| 63 | S | 60.1 | Low | 63.2 | Low | 103 Ų | 103 | 135.2 Ų | 135.2 | 72% | 0.72 | 73% | 0.729 | S | S | * | * | | | trans | -134.3 | 80.6 | -177.2 | -174.9 | 0 | 0 | 0 | 0 | 110.3 | S61 | S61-S63 PolarHBondContact O-N 3.39Š|
| 64 | S | 57 | Low | 63.3 | Low | 109 Ų | 109 | 134.5 Ų | 134.5 | 76% | 0.762 | 73% | 0.732 | S | S | * | * | | | trans | -125.3 | 79.2 | 165.2 | 166.4 | 0 | 0 | 0 | 0 | 108.5 | | |
| 65 | T | 60.5 | Low | 63 | Low | 131 Ų | 131 | 133.9 Ų | 133.9 | 80% | 0.804 | 74% | 0.735 | S | S | * | * | | | trans | -94 | 94.8 | 160.3 | 21.2 | 0 | 0 | 0 | 0 | 107.4 | A67 | T65-A67 VanDerWaalsContact C-N 3.3Å; T65-A67 PolarHBondContact O-N 3.02Å |
| 66 | L | 59.5 | Low | 62.5 | Low | 121 Ų | 121 | 130.3 Ų | 130.3 | 63% | 0.634 | 73% | 0.727 | S | S | * | * | | | trans | -69.2 | 94.8 | 167.2 | -135.9 | 166.5 | 0 | 0 | 0 | 106.2 | Y68 | L66-Y68 VanDerWaalsContact C-N 3.34Å; L66-Y68 PolarHBondContact O-N 2.98Å |
| 67 | A | 62 | Low | 62.1 | Low | 83 Ų | 83 | 133 Ų | 133 | 69% | 0.686 | 74% | 0.742 | S | S | * | * | | | trans | -70.8 | 97.3 | 169.6 | 0 | 0 | 0 | 0 | 0 | 106.8 | T65 S69 | T65-A67 VanDerWaalsContact C-N 3.3Å; T65-A67 PolarHBondContact O-N 3.02Å; A67-S69 PolarHBondContact O-N 3.29Å |
| 68 | Y | 48.6 | Very low | 61.9 | Low | 190 Ų | 190 | 132.5 Ų | 132.5 | 75% | 0.745 | 73% | 0.734 | S | S | * | * | | | trans | -62.6 | 94.5 | 159.5 | -70.6 | -84.8 | 0 | 0 | 0 | 106.2 | L66 | L66-Y68 VanDerWaalsContact C-N 3.34Å; L66-Y68 PolarHBondContact O-N 2.98Å |
| 69 | S | 63.3 | Low | 61.3 | Low | 94 Ų | 94 | 124.7 Ų | 124.7 | 66% | 0.657 | 72% | 0.72 | S | S | * | * | | | trans | -56.7 | 131.6 | 158 | -61.7 | 0 | 0 | 0 | 0 | 105.6 | A67 R71 | A67-S69 PolarHBondContact O-N 3.29Å; S69-R71 PolarHBondContact O-N 2.98Å |
| 70 | P | 71 | Confident | 60.8 | Low | 122 Ų | 122 | 125.2 Ų | 125.2 | 79% | 0.792 | 73% | 0.726 | S | S | * | * | | | trans | -46.6 | 123.3 | 173.7 | -23.5 | 32 | 0 | 0 | 0 | 106.8 | D72 | P70-D72 PolarHBondContact O-N 3.38Š|
| 71 | R | 61.6 | Low | 60.9 | Low | 216 Ų | 216 | 129.1 Ų | 129.1 | 82% | 0.815 | 73% | 0.727 | S | S | * | * | | | trans | -48.6 | 114.4 | -175.4 | -72.7 | -167.6 | 175.4 | 137.4 | -0.9 | 107.6 | S69 | S69-R71 PolarHBondContact O-N 2.98Š|
| 72 | D | 70.2 | Confident | 60.8 | Low | 99 Ų | 99 | 129.9 Ų | 129.9 | 53% | 0.529 | 73% | 0.729 | S | S | . | * | | | trans | -70.1 | 150.4 | 173.8 | 103 | 59.1 | 0 | 0 | 0 | 107.2 | P70 E74 D75 | P70-D72 PolarHBondContact O-N 3.38Å; D72-E74 WeakPolarHBondContact OD1-CA 3.41Å; D72-E74 WeakPolarHBondContact OD1-CB 3.26Å; D72-E74 PolarHBondContact OD1-N 3.12Å; D72-E74 PolarHBondContact O-N 3.48Å; D72-D75 PolarHBondContact O-N 2.87Å |
| 73 | E | 64 | Low | 60.7 | Low | 173 Ų | 173 | 132.4 Ų | 132.4 | 81% | 0.808 | 73% | 0.726 | S | S | * | * | G | 310 helix | trans | -55 | -13.3 | -176.7 | 54.8 | -150.1 | 115.6 | 0 | 0 | 115.1 | S76 | E73-S76 VanDerWaalsContact O-CB 3.26Å; E73-S76 WeakPolarHBondContact O-CB 3.47Å; E73-S76 PolarHBondContact O-N 3.17Å; E73-S76 PolarHBondContact O-OG 3.32Å |
| 74 | E | 60.6 | Low | 60.5 | Low | 171 Ų | 171 | 135.9 Ų | 135.9 | 80% | 0.799 | 73% | 0.731 | S | S | * | * | G | 310 helix | trans | -71.9 | -22 | -179.4 | -161.5 | -173.8 | 142.7 | 0 | 0 | 114.6 | D72 S76 | D72-E74 WeakPolarHBondContact OD1-CA 3.41Å; D72-E74 WeakPolarHBondContact OD1-CB 3.26Å; D72-E74 PolarHBondContact OD1-N 3.12Å; D72-E74 PolarHBondContact O-N 3.48Å; E74-S76 PolarHBondContact O-N 2.84Å |
| 75 | D | 62.4 | Low | 61.1 | Low | 117 Ų | 117 | 136.4 Ų | 136.4 | 63% | 0.626 | 73% | 0.732 | S | S | * | * | G | 310 helix | trans | -85.7 | 7.5 | 174.2 | -155.5 | 27.1 | 0 | 0 | 0 | 112.6 | D72 M77 | D72-D75 PolarHBondContact O-N 2.87Å; D75-M77 VanDerWaalsContact C-N 3.33Å; D75-M77 PolarHBondContact O-N 2.7Å |
| 76 | S | 62 | Low | 61.3 | Low | 77 Ų | 77 | 140.6 Ų | 140.6 | 54% | 0.538 | 76% | 0.757 | S | S | . | * | | | trans | -69.8 | 92.2 | 169.1 | -55.3 | 0 | 0 | 0 | 0 | 108.1 | E73 E74 V78 | E73-S76 VanDerWaalsContact O-CB 3.26Å; E73-S76 WeakPolarHBondContact O-CB 3.47Å; E73-S76 PolarHBondContact O-N 3.17Å; E73-S76 PolarHBondContact O-OG 3.32Å; E74-S76 PolarHBondContact O-N 2.84Å; S76-V78 WeakPolarHBondContact O-CG2 3.44Å; S76-V78 PolarHBondContact O-N 2.94Å |
| 77 | M | 56.8 | Low | 61.4 | Low | 178 Ų | 178 | 141.6 Ų | 141.6 | 88% | 0.877 | 76% | 0.763 | S | S | * | * | | | trans | -59.9 | 82.4 | 172.4 | -78.9 | -76.5 | -164.7 | 0 | 0 | 110.9 | D75 G79 | D75-M77 VanDerWaalsContact C-N 3.33Å; D75-M77 PolarHBondContact O-N 2.7Å; M77-G79 VanDerWaalsContact C-N 3.26Å; M77-G79 PolarHBondContact O-N 3.03Å |
| 78 | V | 61.6 | Low | 61.3 | Low | 117 Ų | 117 | 144.7 Ų | 144.7 | 71% | 0.709 | 77% | 0.767 | S | S | * | * | | | trans | -78.2 | 82.5 | 167.4 | -162.4 | 0 | 0 | 0 | 0 | 107.1 | S76 Y81 | S76-V78 WeakPolarHBondContact O-CG2 3.44Å; S76-V78 PolarHBondContact O-N 2.94Å; V78-Y81 HydrophobicContact CG1-CE2 4.41Å |
| 79 | G | 57.8 | Low | 62 | Low | 49 Ų | 49 | 142.2 Ų | 142.2 | 51% | 0.505 | 77% | 0.769 | S | S | . | * | P | Polyproline II helix | trans | -65.4 | 140.7 | 167 | 0 | 0 | 0 | 0 | 0 | 110 | M77 Y81 | M77-G79 VanDerWaalsContact C-N 3.26Å; M77-G79 PolarHBondContact O-N 3.03Å; G79-Y81 PolarHBondContact O-N 3.2Å |
| 80 | P | 60.8 | Low | 62 | Low | 128 Ų | 128 | 145 Ų | 145 | 83% | 0.831 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 121.3 | -170.8 | 25.9 | -33.4 | 0 | 0 | 0 | 111.3 | | |
| 81 | Y | 60.7 | Low | 61.4 | Low | 197 Ų | 197 | 146.4 Ų | 146.4 | 77% | 0.773 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 125.7 | 164.1 | -59 | -86.1 | 0 | 0 | 0 | 108.5 | V78 G79 Q83 | V78-Y81 HydrophobicContact CG1-CE2 4.41Å; G79-Y81 PolarHBondContact O-N 3.2Å; Y81-Q83 PolarHBondContact O-N 3.23Å |
| 82 | P | 58.3 | Low | 61.4 | Low | 118 Ų | 118 | 141.8 Ų | 141.8 | 77% | 0.766 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 118.1 | 166.7 | 26.1 | -29 | 0 | 0 | 0 | 108.2 | E84 | P82-E84 PolarHBondContact O-N 3.42Š|
| 83 | Q | 56.7 | Low | 60.8 | Low | 187 Ų | 187 | 144.9 Ų | 144.9 | 87% | 0.874 | 79% | 0.789 | S | S | * | * | | | trans | -76.9 | 112.6 | 166.1 | -68 | -152 | -11 | 0 | 0 | 108.3 | Y81 | Y81-Q83 PolarHBondContact O-N 3.23Š|
| 84 | E | 56.1 | Low | 60.5 | Low | 177 Ų | 177 | 142.7 Ų | 142.7 | 83% | 0.827 | 79% | 0.787 | S | S | * | * | | | trans | -68.5 | 130.1 | 165.1 | -71.3 | -90.8 | 133.9 | 0 | 0 | 108.6 | P82 | P82-E84 PolarHBondContact O-N 3.42Š|
| 85 | P | 68.6 | Low | 60.5 | Low | 120 Ų | 120 | 140.3 Ų | 140.3 | 78% | 0.779 | 79% | 0.786 | S | S | * | * | | | trans | -71.6 | 143.6 | 173.1 | -10.5 | 25.8 | 0 | 0 | 0 | 111.6 | | |
| 86 | V | 64.3 | Low | 60.3 | Low | 219 Ų | 219 | 142.5 Ų | 142.5 | 100% | 1.327 | 80% | 0.801 | S | S | * | * | | | trans | -56.8 | 0 | 177.5 | -117.5 | 0 | 0 | 0 | 0 | 114.4 | | |