| 1 | M | 58.1 | Low | 58.6 | Low | 239 Ų | 239 | 142.1 Ų | 142.1 | 100% | 1.177 | 85% | 0.849 | S | S | * | * | | | | 0 | 98 | 0 | -79.6 | 146.4 | 176.1 | 0 | 0 | 108.1 | | |
| 2 | V | 58.8 | Low | 58.4 | Low | 133 Ų | 133 | 145.3 Ų | 145.3 | 81% | 0.806 | 85% | 0.848 | S | S | * | * | | | | 93.2 | 100.5 | 113.8 | -172.7 | 0 | 0 | 0 | 0 | 111.3 | | |
| 3 | R | 49 | Very low | 59 | Low | 241 Ų | 241 | 143.5 Ų | 143.5 | 91% | 0.909 | 84% | 0.84 | S | S | * | * | | | trans | -70.5 | 145.9 | 165.4 | -60.6 | 161.5 | 104.6 | 173.5 | 4 | 108 | | |
| 4 | S | 70.5 | Confident | 58.8 | Low | 119 Ų | 119 | 141.4 Ų | 141.4 | 83% | 0.832 | 83% | 0.833 | S | S | * | * | | | trans | -148.9 | 109.4 | 160.4 | -74.6 | 0 | 0 | 0 | 0 | 110.4 | | |
| 5 | S | 54 | Low | 59.2 | Low | 127 Ų | 127 | 141.1 Ų | 141.1 | 89% | 0.888 | 83% | 0.826 | S | S | * | * | | | trans | -104.7 | 134.1 | 164 | -57.5 | 0 | 0 | 0 | 0 | 107 | | |
| 6 | A | 64.9 | Low | 59.1 | Low | 100 Ų | 100 | 137.8 Ų | 137.8 | 83% | 0.826 | 83% | 0.831 | S | S | * | * | | | trans | -129.1 | 106 | 167 | 0 | 0 | 0 | 0 | 0 | 106.3 | | |
| 7 | A | 58.6 | Low | 59.8 | Low | 101 Ų | 101 | 142.2 Ų | 142.2 | 84% | 0.835 | 83% | 0.829 | S | S | * | * | | | | 81.3 | 103.8 | 78.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 8 | T | 55.5 | Low | 60.1 | Low | 131 Ų | 131 | 141.4 Ų | 141.4 | 80% | 0.804 | 83% | 0.829 | S | S | * | * | | | trans | -62.2 | 123.7 | 175.9 | -60.7 | 0 | 0 | 0 | 0 | 111.9 | V10 | T8-V10 HydrophobicContact CG2-CG2 3.97Š|
| 9 | E | 58.9 | Low | 60.3 | Low | 186 Ų | 186 | 142.7 Ų | 142.7 | 87% | 0.869 | 83% | 0.831 | S | S | * | * | | | trans | -91.3 | 114.9 | 164.7 | 174.2 | 177.3 | 98.5 | 0 | 0 | 108.9 | | |
| 10 | V | 58.9 | Low | 60.9 | Low | 125 Ų | 125 | 141.6 Ų | 141.6 | 76% | 0.758 | 83% | 0.829 | S | S | * | * | | | trans | -98.2 | 115.9 | 166.2 | 177.5 | 0 | 0 | 0 | 0 | 106.9 | T8 Q12 | T8-V10 HydrophobicContact CG2-CG2 3.97Å; V10-Q12 PolarHBondContact O-N 3.19Å |
| 11 | G | 58 | Low | 61.5 | Low | 61 Ų | 61 | 138.9 Ų | 138.9 | 63% | 0.629 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 127.8 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 12 | Q | 55.1 | Low | 61.9 | Low | 181 Ų | 181 | 133.6 Ų | 133.6 | 85% | 0.846 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 127.5 | 174.3 | -171.3 | 82.5 | 5.6 | 0 | 0 | 110.6 | V10 | V10-Q12 PolarHBondContact O-N 3.19Š|
| 13 | V | 66.4 | Low | 62.2 | Low | 122 Ų | 122 | 133.4 Ų | 133.4 | 74% | 0.739 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -98.6 | 124.3 | 170.7 | -170.9 | 0 | 0 | 0 | 0 | 109.3 | D15 | V13-D15 PolarHBondContact O-N 3.35Š|
| 14 | P | 56.1 | Low | 62.2 | Low | 114 Ų | 114 | 126.7 Ų | 126.7 | 74% | 0.74 | 80% | 0.801 | S | S | * | * | | | trans | -94.5 | 79.9 | -179.8 | 36.2 | -32 | 0 | 0 | 0 | 111.1 | | |
| 15 | D | 65.7 | Low | 61.6 | Low | 137 Ų | 137 | 126.9 Ų | 126.9 | 73% | 0.733 | 80% | 0.798 | S | S | * | * | | | trans | -147.7 | 107.8 | 165.1 | -102.9 | -57.8 | 0 | 0 | 0 | 109.8 | V13 R17 | V13-D15 PolarHBondContact O-N 3.35Å; D15-R17 PolarHBondContact O-N 3.26Å |
| 16 | G | 56.7 | Low | 61.1 | Low | 87 Ų | 87 | 124.5 Ų | 124.5 | 90% | 0.897 | 79% | 0.793 | S | S | * | * | | | trans | -72 | 50.6 | -173.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 17 | R | 71.3 | Confident | 60.2 | Low | 213 Ų | 213 | 123.5 Ų | 123.5 | 80% | 0.804 | 79% | 0.793 | S | S | * | * | | | trans | -107.8 | 123.1 | 172.3 | -72.8 | -177.9 | 135.4 | -157.5 | -3.8 | 110 | D15 L19 | D15-R17 PolarHBondContact O-N 3.26Å; R17-L19 PolarHBondContact O-N 3.13Å |
| 18 | P | 64.9 | Low | 59.3 | Low | 129 Ų | 129 | 122.9 Ų | 122.9 | 84% | 0.838 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 122.8 | 175.8 | -17.8 | 29.2 | 0 | 0 | 0 | 110.2 | | |
| 19 | L | 63.9 | Low | 58.6 | Low | 165 Ų | 165 | 120.5 Ų | 120.5 | 86% | 0.864 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 131.7 | 171.1 | -68.6 | 172.7 | 0 | 0 | 0 | 109.3 | R17 A21 | R17-L19 PolarHBondContact O-N 3.13Å; L19-A21 PolarHBondContact O-N 3.25Å |
| 20 | P | 73 | Confident | 57.5 | Low | 120 Ų | 120 | 115.9 Ų | 115.9 | 78% | 0.779 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 130.3 | 175.5 | 26.9 | -32.3 | 0 | 0 | 0 | 110.4 | | |
| 21 | A | 73.1 | Confident | 56.7 | Low | 85 Ų | 85 | 113.6 Ų | 113.6 | 70% | 0.702 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -60 | 144.8 | 176 | 0 | 0 | 0 | 0 | 0 | 111.6 | L19 V23 | L19-A21 PolarHBondContact O-N 3.25Å; A21-V23 PolarHBondContact O-N 3.28Å; A21-V23 VanDerWaalsContact O-N 3.15Å |
| 22 | P | 66.3 | Low | 55.6 | Low | 129 Ų | 129 | 118 Ų | 118 | 84% | 0.838 | 82% | 0.816 | S | S | * | * | | | trans | -70.7 | 110.6 | 175.2 | 28.2 | -32.3 | 0 | 0 | 0 | 110.2 | A24 | P22-A24 PolarHBondContact O-N 3.33Š|
| 23 | V | 64.6 | Low | 55.1 | Low | 128 Ų | 128 | 112.2 Ų | 112.2 | 78% | 0.776 | 81% | 0.805 | S | S | * | * | | | trans | -70.6 | 108 | 165.2 | 160.7 | 0 | 0 | 0 | 0 | 108.3 | A21 T25 | A21-V23 PolarHBondContact O-N 3.28Å; A21-V23 VanDerWaalsContact O-N 3.15Å; V23-T25 WeakPolarHBondContact CG1-OG1 3.49Å; V23-T25 PolarHBondContact O-N 3.29Å |
| 24 | A | 49.6 | Very low | 53.7 | Low | 101 Ų | 101 | 113.4 Ų | 113.4 | 84% | 0.835 | 81% | 0.813 | S | S | * | * | | | trans | -71 | 112.4 | 161.5 | 0 | 0 | 0 | 0 | 0 | 108.3 | P22 | P22-A24 PolarHBondContact O-N 3.33Š|
| 25 | T | 59.2 | Low | 53.2 | Low | 123 Ų | 123 | 110.9 Ų | 110.9 | 76% | 0.755 | 81% | 0.807 | S | S | * | * | | | trans | -125.6 | 102.1 | 162.4 | -60.1 | 0 | 0 | 0 | 0 | 107.5 | V23 | V23-T25 WeakPolarHBondContact CG1-OG1 3.49Å; V23-T25 PolarHBondContact O-N 3.29Å |
| 26 | G | 43.5 | Very low | 51.9 | Low | 77 Ų | 77 | 108 Ų | 108 | 79% | 0.794 | 81% | 0.81 | S | S | * | * | | | trans | -76.1 | 154 | 165.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 27 | G | 45.6 | Very low | 51.2 | Low | 79 Ų | 79 | 106.6 Ų | 106.6 | 81% | 0.814 | 80% | 0.796 | S | S | * | * | | | trans | 149.2 | 80.9 | 165.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 28 | G | 40.3 | Very low | 49.7 | Very low | 87 Ų | 87 | 108.6 Ų | 108.6 | 90% | 0.897 | 80% | 0.804 | S | S | * | * | | | trans | 73.5 | 125.2 | 130.2 | 0 | 0 | 0 | 0 | 0 | 121.4 | | |
| 29 | G | 40 | Very low | 49.2 | Very low | 82 Ų | 82 | 107.3 Ų | 107.3 | 85% | 0.845 | 79% | 0.786 | S | S | * | * | | | trans | 140 | 84.4 | 139.5 | 0 | 0 | 0 | 0 | 0 | 118.5 | | |
| 30 | G | 34.8 | Very low | 48.7 | Very low | 88 Ų | 88 | 103.6 Ų | 103.6 | 91% | 0.907 | 77% | 0.772 | S | S | * | * | | | trans | 66.1 | 109 | 135.5 | 0 | 0 | 0 | 0 | 0 | 120.4 | | |
| 31 | G | 42.4 | Very low | 48 | Very low | 78 Ų | 78 | 101.4 Ų | 101.4 | 80% | 0.804 | 75% | 0.752 | S | S | * | * | | | trans | 177.7 | 79.8 | 163.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 32 | T | 34.7 | Very low | 47.7 | Very low | 153 Ų | 153 | 100.3 Ų | 100.3 | 94% | 0.939 | 75% | 0.749 | S | S | * | * | | | trans | -61.5 | 130.4 | 168.6 | 37.3 | 0 | 0 | 0 | 0 | 110.3 | | |
| 33 | G | 45.3 | Very low | 48.2 | Very low | 59 Ų | 59 | 96.1 Ų | 96.1 | 61% | 0.608 | 72% | 0.719 | S | S | * | * | | | trans | -168.9 | 50.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 34 | T | 37.3 | Very low | 49.3 | Very low | 148 Ų | 148 | 93.6 Ų | 93.6 | 91% | 0.908 | 71% | 0.705 | S | S | * | * | | | trans | -61.4 | 138.8 | 163.7 | 34.9 | 0 | 0 | 0 | 0 | 109.9 | | |
| 35 | G | 44.8 | Very low | 51.2 | Low | 60 Ų | 60 | 88.8 Ų | 88.8 | 62% | 0.619 | 67% | 0.665 | S | S | * | * | | | trans | 124 | 106 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 36 | G | 39.7 | Very low | 52.5 | Low | 77 Ų | 77 | 85.8 Ų | 85.8 | 79% | 0.794 | 65% | 0.648 | S | S | * | * | | | cis | 126.1 | 128.9 | 29 | 0 | 0 | 0 | 0 | 0 | 106.7 | | |
| 37 | G | 40 | Very low | 54.5 | Low | 58 Ų | 58 | 86 Ų | 86 | 60% | 0.598 | 62% | 0.624 | S | S | * | * | | | trans | 102.2 | 95.7 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | E39 | G37-E39 VanDerWaalsContact C-N 3.29Å; G37-E39 PolarHBondContact O-N 3.28Å |
| 38 | R | 41.3 | Very low | 56.5 | Low | 255 Ų | 255 | 84.7 Ų | 84.7 | 96% | 0.962 | 60% | 0.602 | S | S | * | * | | | trans | -58.5 | 83.9 | 169.2 | -66.6 | 170.2 | 162 | -178.7 | -6.2 | 110.7 | | |
| 39 | E | 54.6 | Low | 58.9 | Low | 102 Ų | 102 | 88.2 Ų | 88.2 | 48% | 0.477 | 60% | 0.596 | S | S | . | * | S | Bend | trans | -84.2 | 164.2 | 153.4 | -178.3 | 77.9 | 172.2 | 0 | 0 | 106 | G37 E41 | G37-E39 VanDerWaalsContact C-N 3.29Å; G37-E39 PolarHBondContact O-N 3.28Å; E39-E41 HydrophobicContact CB-CG 3.73Å; E39-E41 HydrophobicContact CG-CG 4.38Å; E39-E41 PolarHBondContact N-OE2 3.19Å; E39-E41 WeakPolarHBondContact O-CB 3.24Å; E39-E41 WeakPolarHBondContact O-CG 3.06Å; E39-E41 PolarHBondContact O-N 3.16Å |
| 40 | P | 53.7 | Low | 61.2 | Low | 87 Ų | 87 | 85.2 Ų | 85.2 | 57% | 0.565 | 56% | 0.561 | S | S | * | * | S | Bend | trans | -64.6 | 63.5 | 175 | 23.1 | -35.4 | 0 | 0 | 0 | 113.3 | G42 | P40-G42 PolarHBondContact O-N 2.78Å; P40-G42 VanDerWaalsContact O-N 3.16Å |
| 41 | E | 57.3 | Low | 63.9 | Low | 74 Ų | 74 | 84.1 Ų | 84.1 | 35% | 0.346 | 54% | 0.544 | S | S | . | . | | | trans | -87.8 | 35.1 | -169.8 | -68.4 | 160.7 | 142 | 0 | 0 | 111.6 | E39 | E39-E41 HydrophobicContact CB-CG 3.73Å; E39-E41 HydrophobicContact CG-CG 4.38Å; E39-E41 PolarHBondContact N-OE2 3.19Å; E39-E41 WeakPolarHBondContact O-CB 3.24Å; E39-E41 WeakPolarHBondContact O-CG 3.06Å; E39-E41 PolarHBondContact O-N 3.16Å |
| 42 | G | 66.1 | Low | 66.2 | Low | 62 Ų | 62 | 85.3 Ų | 85.3 | 64% | 0.639 | 53% | 0.532 | S | S | * | . | | | trans | -97.3 | -2.2 | -180 | 0 | 0 | 0 | 0 | 0 | 114.1 | P40 P44 | P40-G42 PolarHBondContact O-N 2.78Å; P40-G42 VanDerWaalsContact O-N 3.16Å; G42-P44 WeakPolarHBondContact O-CD 3.35Å |
| 43 | L | 77.4 | Confident | 68.8 | Low | 41 Ų | 41 | 78.4 Ų | 78.4 | 22% | 0.215 | 49% | 0.49 | C | S | . | . | P | Polyproline II helix | trans | -79 | 119.8 | -172.5 | -65.7 | 164 | 0 | 0 | 0 | 110.4 | C45 T53 W77 R79 | L43-C45 PolarHBondContact O-N 2.97Å; L43-T53 PolarHBondContact O-OG1 2.99Å; L43-W77 HydrophobicContact CB-CH2 3.54Å; L43-W77 HydrophobicContact CB-CZ2 4.14Å; L43-W77 HydrophobicContact CB-CZ3 4.5Å; L43-W77 HydrophobicContact CD1-CH2 3.83Å; L43-W77 HydrophobicContact CD1-CZ3 4.48Å; L43-W77 HydrophobicContact CG-CH2 4.36Å; L43-R79 HydrophobicContact CD1-CB 4.07Å; L43-R79 HydrophobicContact CD1-CG 3.61Å; L43-R79 VanDerWaalsContact CD1-NE 3.35Å |
| 44 | P | 87.7 | Confident | 71.1 | Confident | 74 Ų | 74 | 80.7 Ų | 80.7 | 48% | 0.481 | 48% | 0.483 | S | S | . | . | P | Polyproline II helix | trans | -65.9 | 137 | 175.9 | 27.8 | -33 | 0 | 0 | 0 | 108.9 | G42 P46 | G42-P44 WeakPolarHBondContact O-CD 3.35Å; P44-P46 WeakPolarHBondContact O-CD 3.24Å |
| 45 | C | 88.6 | Confident | 73.6 | Confident | 0 Ų | 0 | 76.2 Ų | 76.2 | 0% | 0 | 45% | 0.451 | C | S | . | . | P | Polyproline II helix | trans | -60.6 | 123.9 | 172.2 | -177.5 | 0 | 0 | 0 | 0 | 109.1 | L43 R47 C48 E49 S50 T53 C70 C73 | L43-C45 PolarHBondContact O-N 2.97Å; C45-R47 PolarHBondContact O-N 2.81Å; C45-C48 PolarHBondContact O-N 3.39Å; C45-E49 VanDerWaalsContact O-CA 3.25Å; C45-E49 WeakPolarHBondContact O-CA 3.33Å; C45-E49 PolarHBondContact O-N 3.23Å; C45-S50 PolarHBondContact N-O 3.08Å; C45-T53 HydrophobicContact CB-CG2 3.79Å; C45-C70 HydrophobicContact CB-CB 3.9Å; C45-C70 VanDerWaalsContact SG-CB 3.56Å; C45-C73 VanDerWaalsContact SG-SG 3.65Å |
| 46 | P | 87.5 | Confident | 75.9 | Confident | 60 Ų | 60 | 76.2 Ų | 76.2 | 39% | 0.39 | 44% | 0.441 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -1 | -177.3 | 27.7 | -36.7 | 0 | 0 | 0 | 114.1 | P44 L83 | P44-P46 WeakPolarHBondContact O-CD 3.24Å; P46-L83 HydrophobicContact CB-CD2 4.41Å; P46-L83 HydrophobicContact CG-CD1 4.29Å |
| 47 | R | 84.7 | Confident | 78.4 | Confident | 81 Ų | 81 | 77.6 Ų | 77.6 | 31% | 0.306 | 42% | 0.423 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.9 | -30.2 | 179.4 | -65 | -174.9 | 170 | 166.2 | -1.7 | 113.9 | C45 R75 | C45-R47 PolarHBondContact O-N 2.81Å; R47-R75 VanDerWaalsContact NH1-CB 3.28Å; R47-R75 VanDerWaalsContact NH1-CD 3.29Å |
| 48 | C | 89 | Confident | 81 | Confident | 52 Ų | 52 | 79.4 Ų | 79.4 | 35% | 0.351 | 41% | 0.412 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -143.8 | 8.2 | -173 | 65.1 | 0 | 0 | 0 | 0 | 113 | C45 S50 C73 | C45-C48 PolarHBondContact O-N 3.39Å; C48-S50 PolarHBondContact O-N 3.15Å; C48-S50 PolarHBondContact SG-OG 2.91Å; C48-C73 HydrophobicContact CB-CB 4.11Å; C48-C73 VanDerWaalsContact SG-SG 3.65Å |
| 49 | E | 89.2 | Confident | 83.3 | Confident | 162 Ų | 162 | 68.2 Ų | 68.2 | 76% | 0.757 | 37% | 0.371 | S | S | * | . | | | trans | 58.2 | 7.9 | 176 | -62.2 | 167.2 | -170.2 | 0 | 0 | 115.1 | C45 | C45-E49 VanDerWaalsContact O-CA 3.25Å; C45-E49 WeakPolarHBondContact O-CA 3.33Å; C45-E49 PolarHBondContact O-N 3.23Å |
| 50 | S | 88.9 | Confident | 84.7 | Confident | 18 Ų | 18 | 69.6 Ų | 69.6 | 13% | 0.126 | 38% | 0.382 | C | S | . | . | | | trans | -72.9 | 136.7 | -178.2 | 72 | 0 | 0 | 0 | 0 | 111.5 | C45 C48 N52 C70 A72 | C45-S50 PolarHBondContact N-O 3.08Å; C48-S50 PolarHBondContact O-N 3.15Å; C48-S50 PolarHBondContact SG-OG 2.91Å; S50-N52 PolarHBondContact O-N 2.75Å; S50-C70 PolarHBondContact OG-SG 2.85Å; S50-A72 WeakPolarHBondContact OG-CB 3.41Å |
| 51 | A | 91.9 | Very high | 86.1 | Confident | 66 Ų | 66 | 76.1 Ų | 76.1 | 55% | 0.545 | 40% | 0.397 | S | S | . | . | S | Bend | trans | -73 | -5.9 | 170.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | T53 | A51-T53 PolarHBondContact O-N 3.2Š|
| 52 | N | 89.6 | Confident | 87.4 | Confident | 102 Ų | 102 | 76.1 Ų | 76.1 | 55% | 0.545 | 40% | 0.4 | S | S | . | . | | | trans | -78.4 | 59.6 | -179.6 | -68.2 | -65.8 | 0 | 0 | 0 | 112.2 | S50 R71 | S50-N52 PolarHBondContact O-N 2.75Å; N52-R71 HydrophobicContact CB-CB 4.18Å; N52-R71 PolarHBondContact O-N 3.24Å |
| 53 | T | 91.3 | Very high | 88.4 | Confident | 9 Ų | 9 | 79.3 Ų | 79.3 | 6% | 0.055 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 143.1 | 176.4 | 71.7 | 0 | 0 | 0 | 0 | 110.7 | L43 C45 A51 F69 C70 W77 | L43-T53 PolarHBondContact O-OG1 2.99Å; C45-T53 HydrophobicContact CB-CG2 3.79Å; A51-T53 PolarHBondContact O-N 3.2Å; T53-F69 CarbonylContact C-O 3.51Å; T53-F69 WeakPolarHBondContact CA-O 3.31Å; T53-C70 HydrophobicContact CG2-CB 4.11Å; T53-W77 HydrophobicContact CG2-CZ2 3.78Å |
| 54 | K | 92.1 | Very high | 88.9 | Confident | 107 Ų | 107 | 81.8 Ų | 81.8 | 47% | 0.465 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 138.6 | 178.8 | -167.8 | -171.7 | 173.7 | 175.3 | 0 | 109.9 | Y68 F69 | K54-Y68 CarbonylContact O-C 3.47Å; K54-Y68 VanDerWaalsContact O-CA 3.26Å; K54-Y68 WeakPolarHBondContact O-CA 3.4Å; K54-F69 PolarHBondContact N-O 2.87Å; K54-F69 PolarHBondContact O-N 2.95Å |
| 55 | F | 91.2 | Very high | 88.9 | Confident | 54 Ų | 54 | 81.8 Ų | 81.8 | 24% | 0.237 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.5 | 138.7 | 166.8 | 175.3 | -100.3 | 0 | 0 | 0 | 110.7 | Y58 P66 Y68 | F55-Y58 HydrophobicContact CE1-CE2 4.38Å; F55-Y58 HydrophobicContact CE2-CD1 4.21Å; F55-Y58 AromaticContact CE2-CE1 3.94Å; F55-Y58 HydrophobicContact CE2-CE1 3.94Å; F55-Y58 HydrophobicContact CE2-CE2 4.32Å; F55-Y58 AromaticContact CE2-CZ 3.99Å; F55-Y58 HydrophobicContact CZ-CD1 4.27Å; F55-Y58 AromaticContact CZ-CD2 3.84Å; F55-Y58 HydrophobicContact CZ-CD2 3.84Å; F55-Y58 HydrophobicContact CZ-CE1 4.02Å; F55-Y58 AromaticContact CZ-CE2 3.56Å; F55-Y58 HydrophobicContact CZ-CE2 3.56Å; F55-Y58 HydrophobicContact CZ-CG 4.18Å; F55-Y58 AromaticContact CZ-CZ 3.66Å; F55-P66 HydrophobicContact CD2-CB 3.91Å; F55-P66 HydrophobicContact CE2-CB 3.6Å; F55-Y68 HydrophobicContact CB-CD1 4.23Å; F55-Y68 HydrophobicContact CB-CE1 4.12Å |
| 56 | C | 91.7 | Very high | 89 | Confident | 59 Ų | 59 | 82.9 Ų | 82.9 | 40% | 0.399 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | -58.4 | -176.6 | -161.8 | 0 | 0 | 0 | 0 | 112.3 | R67 F69 Y76 | C56-R67 PolarHBondContact N-O 3.43Å; C56-F69 HydrophobicContact CB-CB 4.48Å; C56-Y76 HydrophobicContact CB-CE1 4.34Å |
| 57 | Y | 93.7 | Very high | 89.2 | Confident | 106 Ų | 106 | 82.5 Ų | 82.5 | 42% | 0.416 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -168.4 | 169.4 | 179 | 60.9 | -85.9 | 0 | 0 | 0 | 110.5 | R67 Y76 | Y57-R67 VanDerWaalsContact CZ-CD 3.44Å; Y57-R67 VanDerWaalsContact O-CB 3.31Å; Y57-R67 WeakPolarHBondContact O-CB 3.3Å; Y57-R67 PolarHBondContact O-N 3.04Å; Y57-Y76 HydrophobicContact CE1-CE1 4.47Å |
| 58 | Y | 93.2 | Very high | 89.6 | Confident | 96 Ų | 96 | 79.5 Ų | 79.5 | 38% | 0.376 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 139.2 | 174 | -65.1 | -73.8 | 0 | 0 | 0 | 111.8 | F55 L63 P66 | F55-Y58 HydrophobicContact CE1-CE2 4.38Å; F55-Y58 HydrophobicContact CE2-CD1 4.21Å; F55-Y58 AromaticContact CE2-CE1 3.94Å; F55-Y58 HydrophobicContact CE2-CE1 3.94Å; F55-Y58 HydrophobicContact CE2-CE2 4.32Å; F55-Y58 AromaticContact CE2-CZ 3.99Å; F55-Y58 HydrophobicContact CZ-CD1 4.27Å; F55-Y58 AromaticContact CZ-CD2 3.84Å; F55-Y58 HydrophobicContact CZ-CD2 3.84Å; F55-Y58 HydrophobicContact CZ-CE1 4.02Å; F55-Y58 AromaticContact CZ-CE2 3.56Å; F55-Y58 HydrophobicContact CZ-CE2 3.56Å; F55-Y58 HydrophobicContact CZ-CG 4.18Å; F55-Y58 AromaticContact CZ-CZ 3.66Å; Y58-L63 HydrophobicContact CD1-CD2 4.4Å; Y58-L63 WeakPolarHBondContact CD1-O 3.25Å; Y58-L63 HydrophobicContact CD2-CD2 3.69Å; Y58-L63 HydrophobicContact CE1-CD2 4.48Å; Y58-L63 VanDerWaalsContact CE1-O 3.24Å; Y58-L63 WeakPolarHBondContact CE1-O 3.39Å; Y58-L63 HydrophobicContact CE2-CD2 3.8Å; Y58-L63 HydrophobicContact CG-CD2 4.01Å; Y58-P66 HydrophobicContact CD1-CB 4.14Å; Y58-P66 HydrophobicContact CE1-CB 3.95Å |
| 59 | N | 89.9 | Confident | 89.7 | Confident | 20 Ų | 20 | 79.8 Ų | 79.8 | 11% | 0.107 | 40% | 0.398 | C | S | . | . | G | 310 helix | trans | -71.8 | 134.5 | 178.3 | -174.2 | 43.2 | 0 | 0 | 0 | 112.1 | Y61 N62 Q65 R67 | N59-Y61 PolarHBondContact O-N 3.14Å; N59-N62 WeakPolarHBondContact O-CA 3.14Å; N59-N62 VanDerWaalsContact O-CB 3.31Å; N59-N62 WeakPolarHBondContact O-CB 3.42Å; N59-N62 PolarHBondContact O-N 2.92Å; N59-Q65 HydrophobicContact CB-CB 4.08Å; N59-Q65 HydrophobicContact CB-CG 3.97Å; N59-Q65 PolarHBondContact N-O 2.83Å; N59-Q65 PolarHBondContact ND2-OE1 3.06Å; N59-R67 HydrophobicContact CB-CG 4.44Å; N59-R67 PolarHBondContact OD1-NE 3.46Å; N59-R67 PolarHBondContact OD1-NH2 2.97Å |
| 60 | N | 84.8 | Confident | 89.9 | Confident | 132 Ų | 132 | 72 Ų | 72 | 71% | 0.706 | 36% | 0.362 | S | S | * | . | G | 310 helix | trans | 47.9 | 31.8 | 176.1 | -61.3 | -32.2 | 0 | 0 | 0 | 114 | N62 | N60-N62 PolarHBondContact O-N 3.15Š|
| 61 | Y | 83.4 | Confident | 90 | Very high | 224 Ų | 224 | 77.5 Ų | 77.5 | 88% | 0.878 | 38% | 0.379 | S | S | * | . | G | 310 helix | trans | 59.9 | 11 | -172.4 | -47.8 | -82.4 | 0 | 0 | 0 | 114.9 | N59 L63 | N59-Y61 PolarHBondContact O-N 3.14Å; Y61-L63 PolarHBondContact O-N 3.09Å |
| 62 | N | 83.6 | Confident | 89.9 | Confident | 74 Ų | 74 | 77.3 Ų | 77.3 | 40% | 0.396 | 38% | 0.378 | S | S | . | . | | | trans | -81.1 | 107.8 | 173.4 | -174.7 | -6.6 | 0 | 0 | 0 | 110.2 | N59 N60 S64 Q65 | N59-N62 WeakPolarHBondContact O-CA 3.14Å; N59-N62 VanDerWaalsContact O-CB 3.31Å; N59-N62 WeakPolarHBondContact O-CB 3.42Å; N59-N62 PolarHBondContact O-N 2.92Å; N60-N62 PolarHBondContact O-N 3.15Å; N62-S64 PolarHBondContact ND2-OG 2.89Å; N62-S64 PolarHBondContact O-N 2.68Å; N62-S64 VanDerWaalsContact O-N 3.17Å; N62-S64 WeakPolarHBondContact OD1-CB 3.33Å; N62-S64 PolarHBondContact OD1-N 3.26Å; N62-S64 PolarHBondContact OD1-OG 3.13Å; N62-Q65 PolarHBondContact O-N 2.79Å |
| 63 | L | 86.9 | Confident | 90 | Very high | 128 Ų | 128 | 74 Ų | 74 | 67% | 0.67 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -22 | 178.3 | -60.5 | 179.6 | 0 | 0 | 0 | 113.4 | Y58 Y61 Q65 | Y58-L63 HydrophobicContact CD1-CD2 4.4Å; Y58-L63 WeakPolarHBondContact CD1-O 3.25Å; Y58-L63 HydrophobicContact CD2-CD2 3.69Å; Y58-L63 HydrophobicContact CE1-CD2 4.48Å; Y58-L63 VanDerWaalsContact CE1-O 3.24Å; Y58-L63 WeakPolarHBondContact CE1-O 3.39Å; Y58-L63 HydrophobicContact CE2-CD2 3.8Å; Y58-L63 HydrophobicContact CG-CD2 4.01Å; Y61-L63 PolarHBondContact O-N 3.09Å; L63-Q65 PolarHBondContact O-N 2.96Å |
| 64 | S | 88.2 | Confident | 90 | Very high | 94 Ų | 94 | 83.4 Ų | 83.4 | 66% | 0.657 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.5 | -6.6 | 176.5 | 70.4 | 0 | 0 | 0 | 0 | 113.9 | N62 P66 | N62-S64 PolarHBondContact ND2-OG 2.89Å; N62-S64 PolarHBondContact O-N 2.68Å; N62-S64 VanDerWaalsContact O-N 3.17Å; N62-S64 WeakPolarHBondContact OD1-CB 3.33Å; N62-S64 PolarHBondContact OD1-N 3.26Å; N62-S64 PolarHBondContact OD1-OG 3.13Å; S64-P66 VanDerWaalsContact C-CD 3.44Å; S64-P66 WeakPolarHBondContact O-CD 3.21Å |
| 65 | Q | 87.4 | Confident | 89.9 | Confident | 73 Ų | 73 | 82.5 Ų | 82.5 | 34% | 0.341 | 39% | 0.391 | S | S | . | . | | | trans | -125.2 | 71.8 | -176.6 | -161.9 | 177.4 | 9.2 | 0 | 0 | 112.7 | N59 N62 L63 T78 | N59-Q65 HydrophobicContact CB-CB 4.08Å; N59-Q65 HydrophobicContact CB-CG 3.97Å; N59-Q65 PolarHBondContact N-O 2.83Å; N59-Q65 PolarHBondContact ND2-OE1 3.06Å; N62-Q65 PolarHBondContact O-N 2.79Å; L63-Q65 PolarHBondContact O-N 2.96Å; Q65-T78 HydrophobicContact CG-CG2 4.36Å |
| 66 | P | 91.1 | Very high | 89.9 | Confident | 24 Ų | 24 | 85.4 Ų | 85.4 | 16% | 0.156 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 133.7 | 176 | 27.7 | -34.5 | 0 | 0 | 0 | 111.8 | F55 Y58 S64 Y68 | F55-P66 HydrophobicContact CD2-CB 3.91Å; F55-P66 HydrophobicContact CE2-CB 3.6Å; Y58-P66 HydrophobicContact CD1-CB 4.14Å; Y58-P66 HydrophobicContact CE1-CB 3.95Å; S64-P66 VanDerWaalsContact C-CD 3.44Å; S64-P66 WeakPolarHBondContact O-CD 3.21Å; P66-Y68 HydrophobicContact CB-CE2 3.98Å; P66-Y68 HydrophobicContact CG-CE2 4.03Å |
| 67 | R | 91.5 | Very high | 89.8 | Confident | 51 Ų | 51 | 83.6 Ų | 83.6 | 19% | 0.192 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 133.4 | 171.8 | -66.7 | 171.2 | 171.6 | -105 | 5.4 | 110.5 | C56 Y57 N59 T78 | C56-R67 PolarHBondContact N-O 3.43Å; Y57-R67 VanDerWaalsContact CZ-CD 3.44Å; Y57-R67 VanDerWaalsContact O-CB 3.31Å; Y57-R67 WeakPolarHBondContact O-CB 3.3Å; Y57-R67 PolarHBondContact O-N 3.04Å; N59-R67 HydrophobicContact CB-CG 4.44Å; N59-R67 PolarHBondContact OD1-NE 3.46Å; N59-R67 PolarHBondContact OD1-NH2 2.97Å; R67-T78 HydrophobicContact CG-CG2 3.87Å |
| 68 | Y | 92.6 | Very high | 89.7 | Confident | 18 Ų | 18 | 80.2 Ų | 80.2 | 7% | 0.071 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 142.9 | 176.1 | -61.9 | -93 | 0 | 0 | 0 | 109.9 | K54 F55 P66 Y76 W77 R79 | K54-Y68 CarbonylContact O-C 3.47Å; K54-Y68 VanDerWaalsContact O-CA 3.26Å; K54-Y68 WeakPolarHBondContact O-CA 3.4Å; F55-Y68 HydrophobicContact CB-CD1 4.23Å; F55-Y68 HydrophobicContact CB-CE1 4.12Å; P66-Y68 HydrophobicContact CB-CE2 3.98Å; P66-Y68 HydrophobicContact CG-CE2 4.03Å; Y68-Y76 CarbonylContact O-C 3.56Å; Y68-Y76 VanDerWaalsContact O-CA 3.24Å; Y68-Y76 WeakPolarHBondContact O-CA 3.36Å; Y68-W77 VanDerWaalsContact CB-CZ2 3.47Å; Y68-W77 HydrophobicContact CD1-CH2 4.38Å; Y68-W77 HydrophobicContact CD1-CZ2 4.18Å; Y68-W77 HydrophobicContact CD2-CE3 4.35Å; Y68-W77 AromaticContact CD2-CH2 3.82Å; Y68-W77 HydrophobicContact CD2-CH2 3.82Å; Y68-W77 HydrophobicContact CD2-CZ2 4.09Å; Y68-W77 AromaticContact CD2-CZ3 3.99Å; Y68-W77 HydrophobicContact CD2-CZ3 3.99Å; Y68-W77 HydrophobicContact CE2-CH2 4.36Å; Y68-W77 AromaticContact CG-CH2 3.83Å; Y68-W77 HydrophobicContact CG-CH2 3.83Å; Y68-W77 AromaticContact CG-CZ2 3.66Å; Y68-W77 HydrophobicContact CG-CZ2 3.66Å; Y68-W77 HydrophobicContact CG-CZ3 4.39Å; Y68-W77 PolarHBondContact N-O 3.4Å; Y68-W77 PolarHBondContact O-N 3.3Å; Y68-R79 HydrophobicContact CD2-CB 4.26Å; Y68-R79 HydrophobicContact CE2-CB 3.54Å |
| 69 | F | 91.7 | Very high | 89.1 | Confident | 58 Ų | 58 | 81.8 Ų | 81.8 | 25% | 0.254 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 124.6 | 172.4 | -179.1 | -103.5 | 0 | 0 | 0 | 109.7 | T53 K54 C56 R71 R74 Y76 | T53-F69 CarbonylContact C-O 3.51Å; T53-F69 WeakPolarHBondContact CA-O 3.31Å; K54-F69 PolarHBondContact N-O 2.87Å; K54-F69 PolarHBondContact O-N 2.95Å; C56-F69 HydrophobicContact CB-CB 4.48Å; F69-R71 HydrophobicContact CD1-CG 4.37Å; F69-R71 HydrophobicContact CE1-CG 4.38Å; F69-R74 HydrophobicContact CZ-CB 4.21Å; F69-R74 HydrophobicContact CZ-CG 4.38Å; F69-Y76 HydrophobicContact CB-CD1 3.99Å; F69-Y76 HydrophobicContact CB-CE1 3.91Å; F69-Y76 AromaticContact CD2-CD1 3.8Å; F69-Y76 HydrophobicContact CD2-CD1 3.8Å; F69-Y76 HydrophobicContact CD2-CD2 4.34Å; F69-Y76 AromaticContact CD2-CE1 3.51Å; F69-Y76 HydrophobicContact CD2-CE1 3.51Å; F69-Y76 HydrophobicContact CD2-CE2 4.08Å; F69-Y76 HydrophobicContact CD2-CG 4.21Å; F69-Y76 AromaticContact CD2-CZ 3.66Å; F69-Y76 HydrophobicContact CE2-CE1 4.42Å; F69-Y76 HydrophobicContact CE2-CE2 4.33Å; F69-Y76 HydrophobicContact CG-CD1 4.39Å; F69-Y76 HydrophobicContact CG-CE1 4.09Å |
| 70 | C | 92.8 | Very high | 88.6 | Confident | 0 Ų | 0 | 84.9 Ų | 84.9 | 0% | 0 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 119.9 | 171.6 | 176.2 | 0 | 0 | 0 | 0 | 110.1 | C45 S50 T53 A72 C73 R74 R75 | C45-C70 HydrophobicContact CB-CB 3.9Å; C45-C70 VanDerWaalsContact SG-CB 3.56Å; S50-C70 PolarHBondContact OG-SG 2.85Å; T53-C70 HydrophobicContact CG2-CB 4.11Å; C70-A72 PolarHBondContact SG-N 3.36Å; C70-C73 PolarHBondContact SG-N 3.15Å; C70-C73 VanDerWaalsContact SG-N 3.43Å; C70-C73 PolarHBondContact SG-SG 3.2Å; C70-R74 WeakPolarHBondContact O-CA 3.47Å; C70-R74 PolarHBondContact O-N 3.46Å; C70-R75 PolarHBondContact N-O 2.94Å; C70-R75 PolarHBondContact O-N 3.03Å |
| 71 | R | 91 | Very high | 88.2 | Confident | 132 Ų | 132 | 80.4 Ų | 80.4 | 50% | 0.498 | 40% | 0.403 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | -34.9 | 177.2 | -64.8 | -177.3 | 173.8 | 176.2 | -1.1 | 112.2 | N52 F69 | N52-R71 HydrophobicContact CB-CB 4.18Å; N52-R71 PolarHBondContact O-N 3.24Å; F69-R71 HydrophobicContact CD1-CG 4.37Å; F69-R71 HydrophobicContact CE1-CG 4.38Å |
| 72 | A | 90.7 | Very high | 87.3 | Confident | 62 Ų | 62 | 74.4 Ų | 74.4 | 51% | 0.512 | 40% | 0.399 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | -50.7 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | S50 C70 | S50-A72 WeakPolarHBondContact OG-CB 3.41Å; C70-A72 PolarHBondContact SG-N 3.36Å |
| 73 | C | 91 | Very high | 86.6 | Confident | 33 Ų | 33 | 73.6 Ų | 73.6 | 22% | 0.223 | 40% | 0.395 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.9 | 1.9 | 179.6 | 69.6 | 0 | 0 | 0 | 0 | 114.4 | C45 C48 C70 R75 | C45-C73 VanDerWaalsContact SG-SG 3.65Å; C48-C73 HydrophobicContact CB-CB 4.11Å; C48-C73 VanDerWaalsContact SG-SG 3.65Å; C70-C73 PolarHBondContact SG-N 3.15Å; C70-C73 VanDerWaalsContact SG-N 3.43Å; C70-C73 PolarHBondContact SG-SG 3.2Å; C73-R75 VanDerWaalsContact C-N 3.29Å; C73-R75 WeakPolarHBondContact O-CG 3.35Å; C73-R75 PolarHBondContact O-N 2.85Å |
| 74 | R | 92 | Very high | 85.9 | Confident | 206 Ų | 206 | 77 Ų | 77 | 78% | 0.777 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.4 | 44.4 | -179.5 | -66.2 | -174.1 | -83.7 | 170.6 | -8.8 | 113.3 | F69 C70 | F69-R74 HydrophobicContact CZ-CB 4.21Å; F69-R74 HydrophobicContact CZ-CG 4.38Å; C70-R74 WeakPolarHBondContact O-CA 3.47Å; C70-R74 PolarHBondContact O-N 3.46Å |
| 75 | R | 90.2 | Very high | 84.3 | Confident | 89 Ų | 89 | 80.5 Ų | 80.5 | 34% | 0.336 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 142.2 | -174.7 | -79.8 | 164.5 | 178 | -108.9 | 13.1 | 111.3 | R47 C70 C73 | R47-R75 VanDerWaalsContact NH1-CB 3.28Å; R47-R75 VanDerWaalsContact NH1-CD 3.29Å; C70-R75 PolarHBondContact N-O 2.94Å; C70-R75 PolarHBondContact O-N 3.03Å; C73-R75 VanDerWaalsContact C-N 3.29Å; C73-R75 WeakPolarHBondContact O-CG 3.35Å; C73-R75 PolarHBondContact O-N 2.85Å |
| 76 | Y | 91.4 | Very high | 82.8 | Confident | 115 Ų | 115 | 79.6 Ų | 79.6 | 45% | 0.451 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 143.9 | 171.6 | -59.1 | -82.9 | 0 | 0 | 0 | 111.7 | C56 Y57 Y68 F69 | C56-Y76 HydrophobicContact CB-CE1 4.34Å; Y57-Y76 HydrophobicContact CE1-CE1 4.47Å; Y68-Y76 CarbonylContact O-C 3.56Å; Y68-Y76 VanDerWaalsContact O-CA 3.24Å; Y68-Y76 WeakPolarHBondContact O-CA 3.36Å; F69-Y76 HydrophobicContact CB-CD1 3.99Å; F69-Y76 HydrophobicContact CB-CE1 3.91Å; F69-Y76 AromaticContact CD2-CD1 3.8Å; F69-Y76 HydrophobicContact CD2-CD1 3.8Å; F69-Y76 HydrophobicContact CD2-CD2 4.34Å; F69-Y76 AromaticContact CD2-CE1 3.51Å; F69-Y76 HydrophobicContact CD2-CE1 3.51Å; F69-Y76 HydrophobicContact CD2-CE2 4.08Å; F69-Y76 HydrophobicContact CD2-CG 4.21Å; F69-Y76 AromaticContact CD2-CZ 3.66Å; F69-Y76 HydrophobicContact CE2-CE1 4.42Å; F69-Y76 HydrophobicContact CE2-CE2 4.33Å; F69-Y76 HydrophobicContact CG-CD1 4.39Å; F69-Y76 HydrophobicContact CG-CE1 4.09Å |
| 77 | W | 89.5 | Confident | 81.4 | Confident | 20 Ų | 20 | 83.3 Ų | 83.3 | 8% | 0.076 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 167.8 | 175.8 | 66.1 | -84.5 | 0 | 0 | 0 | 110.3 | L43 T53 Y68 R79 | L43-W77 HydrophobicContact CB-CH2 3.54Å; L43-W77 HydrophobicContact CB-CZ2 4.14Å; L43-W77 HydrophobicContact CB-CZ3 4.5Å; L43-W77 HydrophobicContact CD1-CH2 3.83Å; L43-W77 HydrophobicContact CD1-CZ3 4.48Å; L43-W77 HydrophobicContact CG-CH2 4.36Å; T53-W77 HydrophobicContact CG2-CZ2 3.78Å; Y68-W77 VanDerWaalsContact CB-CZ2 3.47Å; Y68-W77 HydrophobicContact CD1-CH2 4.38Å; Y68-W77 HydrophobicContact CD1-CZ2 4.18Å; Y68-W77 HydrophobicContact CD2-CE3 4.35Å; Y68-W77 AromaticContact CD2-CH2 3.82Å; Y68-W77 HydrophobicContact CD2-CH2 3.82Å; Y68-W77 HydrophobicContact CD2-CZ2 4.09Å; Y68-W77 AromaticContact CD2-CZ3 3.99Å; Y68-W77 HydrophobicContact CD2-CZ3 3.99Å; Y68-W77 HydrophobicContact CE2-CH2 4.36Å; Y68-W77 AromaticContact CG-CH2 3.83Å; Y68-W77 HydrophobicContact CG-CH2 3.83Å; Y68-W77 AromaticContact CG-CZ2 3.66Å; Y68-W77 HydrophobicContact CG-CZ2 3.66Å; Y68-W77 HydrophobicContact CG-CZ3 4.39Å; Y68-W77 PolarHBondContact N-O 3.4Å; Y68-W77 PolarHBondContact O-N 3.3Å; W77-R79 HydrophobicContact CZ3-CB 4.04Å |
| 78 | T | 90.1 | Very high | 79.7 | Confident | 36 Ų | 36 | 87.4 Ų | 87.4 | 22% | 0.221 | 46% | 0.464 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 137.6 | -178.9 | 49.3 | 0 | 0 | 0 | 0 | 110 | Q65 R67 | Q65-T78 HydrophobicContact CG-CG2 4.36Å; R67-T78 HydrophobicContact CG-CG2 3.87Å |
| 79 | R | 82 | Confident | 78.1 | Confident | 129 Ų | 129 | 89.8 Ų | 89.8 | 49% | 0.487 | 49% | 0.494 | S | S | . | . | S | Bend | trans | -70.7 | 130.1 | 175.3 | -178.1 | -175.4 | -165.9 | 164.7 | 1.3 | 110 | L43 Y68 W77 G81 | L43-R79 HydrophobicContact CD1-CB 4.07Å; L43-R79 HydrophobicContact CD1-CG 3.61Å; L43-R79 VanDerWaalsContact CD1-NE 3.35Å; Y68-R79 HydrophobicContact CD2-CB 4.26Å; Y68-R79 HydrophobicContact CE2-CB 3.54Å; W77-R79 HydrophobicContact CZ3-CB 4.04Å; R79-G81 PolarHBondContact O-N 2.91Å |
| 80 | G | 78.7 | Confident | 76.5 | Confident | 85 Ų | 85 | 90 Ų | 90 | 88% | 0.876 | 51% | 0.512 | S | S | * | . | S | Bend | trans | 71.3 | -6.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 81 | G | 75.3 | Confident | 75 | Confident | 37 Ų | 37 | 92 Ų | 92 | 38% | 0.381 | 53% | 0.533 | S | S | . | . | S | Bend | trans | -72.1 | 144.4 | 168.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | R79 L83 | R79-G81 PolarHBondContact O-N 2.91Å; G81-L83 PolarHBondContact O-N 3.43Å |
| 82 | A | 65 | Low | 73.5 | Confident | 98 Ų | 98 | 92 Ų | 92 | 81% | 0.81 | 55% | 0.548 | S | S | * | . | | | trans | -52.3 | 115.7 | 162.9 | 0 | 0 | 0 | 0 | 0 | 107.1 | R84 | A82-R84 PolarHBondContact O-N 3.43Š|
| 83 | L | 69.7 | Low | 72 | Confident | 57 Ų | 57 | 100.5 Ų | 100.5 | 30% | 0.298 | 57% | 0.567 | S | S | . | * | | | trans | -55.7 | 119.3 | 169.2 | -175.1 | 67.1 | 0 | 0 | 0 | 104.3 | P46 G81 N85 | P46-L83 HydrophobicContact CB-CD2 4.41Å; P46-L83 HydrophobicContact CG-CD1 4.29Å; G81-L83 PolarHBondContact O-N 3.43Å; L83-N85 PolarHBondContact O-N 3.03Å |
| 84 | R | 73 | Confident | 70.4 | Confident | 199 Ų | 199 | 107.5 Ų | 107.5 | 75% | 0.751 | 59% | 0.594 | S | S | * | * | | | trans | -42.2 | 117.7 | 172.5 | -65 | 178 | -178.3 | 173.5 | -3.3 | 105.4 | A82 V86 | A82-R84 PolarHBondContact O-N 3.43Å; R84-V86 VanDerWaalsContact C-N 3.3Å; R84-V86 WeakPolarHBondContact O-CB 3.26Å; R84-V86 WeakPolarHBondContact O-CG2 3.31Å; R84-V86 PolarHBondContact O-N 2.76Å |
| 85 | N | 54.6 | Low | 68.8 | Low | 169 Ų | 169 | 101.9 Ų | 101.9 | 90% | 0.904 | 59% | 0.591 | S | S | * | * | S | Bend | trans | -46.4 | 96 | -165.5 | -74.5 | -50.5 | 0 | 0 | 0 | 110.1 | L83 | L83-N85 PolarHBondContact O-N 3.03Š|
| 86 | V | 54 | Low | 67.1 | Low | 53 Ų | 53 | 103.3 Ų | 103.3 | 32% | 0.321 | 61% | 0.61 | S | S | . | * | | | trans | -121.6 | 106.2 | -176.2 | 166.2 | 0 | 0 | 0 | 0 | 103.2 | R84 V88 | R84-V86 VanDerWaalsContact C-N 3.3Å; R84-V86 WeakPolarHBondContact O-CB 3.26Å; R84-V86 WeakPolarHBondContact O-CG2 3.31Å; R84-V86 PolarHBondContact O-N 2.76Å; V86-V88 PolarHBondContact O-N 3.46Å |
| 87 | P | 62.6 | Low | 65.6 | Low | 103 Ų | 103 | 102.7 Ų | 102.7 | 67% | 0.669 | 62% | 0.62 | S | S | * | * | | | trans | -52.9 | 132.7 | 174.5 | 21.3 | -31.5 | 0 | 0 | 0 | 108.8 | G89 G90 | P87-G89 VanDerWaalsContact C-N 3.27Å; P87-G89 PolarHBondContact O-N 3.01Å; P87-G90 PolarHBondContact O-N 3.3Å; P87-G90 VanDerWaalsContact O-N 3.13Å |
| 88 | V | 54.9 | Low | 64 | Low | 136 Ų | 136 | 107.1 Ų | 107.1 | 82% | 0.824 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.3 | 93.3 | 173.7 | 178.6 | 0 | 0 | 0 | 0 | 106.5 | V86 | V86-V88 PolarHBondContact O-N 3.46Š|
| 89 | G | 60.2 | Low | 62.2 | Low | 69 Ų | 69 | 108.6 Ų | 108.6 | 71% | 0.711 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 148.6 | -15.7 | -169.9 | 0 | 0 | 0 | 0 | 0 | 116.5 | P87 G91 | P87-G89 VanDerWaalsContact C-N 3.27Å; P87-G89 PolarHBondContact O-N 3.01Å; G89-G91 VanDerWaalsContact C-N 3.26Å; G89-G91 PolarHBondContact O-N 3.12Å; G89-G91 VanDerWaalsContact O-N 3.08Å |
| 90 | G | 58 | Low | 60.9 | Low | 61 Ų | 61 | 113.6 Ų | 113.6 | 63% | 0.629 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.1 | 22.8 | -176.1 | 0 | 0 | 0 | 0 | 0 | 117.1 | P87 | P87-G90 PolarHBondContact O-N 3.3Å; P87-G90 VanDerWaalsContact O-N 3.13Å |
| 91 | G | 61.3 | Low | 59.8 | Low | 43 Ų | 43 | 121.1 Ų | 121.1 | 44% | 0.443 | 70% | 0.704 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -123.3 | -13.9 | -161 | 0 | 0 | 0 | 0 | 0 | 118.2 | G89 R93 | G89-G91 VanDerWaalsContact C-N 3.26Å; G89-G91 PolarHBondContact O-N 3.12Å; G89-G91 VanDerWaalsContact O-N 3.08Å; G91-R93 PolarHBondContact O-N 3.47Å; G91-R93 VanDerWaalsContact O-N 3.14Å |
| 92 | T | 60.4 | Low | 58.7 | Low | 132 Ų | 132 | 128.8 Ų | 128.8 | 81% | 0.81 | 73% | 0.727 | S | S | * | * | | | trans | -90.6 | 82.2 | -172.9 | -49.7 | 0 | 0 | 0 | 0 | 110.5 | K94 | T92-K94 PolarHBondContact O-N 3.36Š|
| 93 | R | 58.9 | Low | 58.3 | Low | 241 Ų | 241 | 135 Ų | 135 | 91% | 0.909 | 73% | 0.729 | S | S | * | * | | | trans | -67.7 | 92.7 | 153.1 | -79.8 | -166.1 | -82.5 | -162.2 | -4 | 106.2 | G91 A95 | G91-R93 PolarHBondContact O-N 3.47Å; G91-R93 VanDerWaalsContact O-N 3.14Å; R93-A95 PolarHBondContact O-N 3.38Å; R93-A95 VanDerWaalsContact O-N 3.15Å |
| 94 | K | 56 | Low | 57.6 | Low | 180 Ų | 180 | 137.1 Ų | 137.1 | 78% | 0.783 | 76% | 0.755 | S | S | * | * | | | trans | -46.6 | 122.7 | 166.4 | -176.2 | 156 | -176.4 | -178.8 | 0 | 106.7 | T92 T96 | T92-K94 PolarHBondContact O-N 3.36Å; K94-T96 PolarHBondContact O-N 3.15Å |
| 95 | A | 58.2 | Low | 57 | Low | 87 Ų | 87 | 130.3 Ų | 130.3 | 72% | 0.719 | 75% | 0.747 | S | S | * | * | | | trans | -53.8 | 111.2 | 171 | 0 | 0 | 0 | 0 | 0 | 106.3 | R93 P97 | R93-A95 PolarHBondContact O-N 3.38Å; R93-A95 VanDerWaalsContact O-N 3.15Å; A95-P97 VanDerWaalsContact O-CD 3.24Å; A95-P97 WeakPolarHBondContact O-CD 3.32Å; A95-P97 VanDerWaalsContact O-N 3.12Å |
| 96 | T | 55.7 | Low | 57.4 | Low | 119 Ų | 119 | 128.7 Ų | 128.7 | 73% | 0.73 | 75% | 0.746 | S | S | * | * | | | trans | -58.6 | 117.3 | 164.7 | -51.8 | 0 | 0 | 0 | 0 | 104.6 | K94 A98 | K94-T96 PolarHBondContact O-N 3.15Å; T96-A98 PolarHBondContact O-N 2.92Å |
| 97 | P | 59.8 | Low | 57.8 | Low | 102 Ų | 102 | 130.4 Ų | 130.4 | 66% | 0.662 | 77% | 0.766 | S | S | * | * | | | trans | -53.4 | 131.8 | 170.4 | 21.9 | -30.2 | 0 | 0 | 0 | 106.7 | A95 G99 | A95-P97 VanDerWaalsContact O-CD 3.24Å; A95-P97 WeakPolarHBondContact O-CD 3.32Å; A95-P97 VanDerWaalsContact O-N 3.12Å; P97-G99 VanDerWaalsContact C-N 3.3Å; P97-G99 WeakPolarHBondContact O-CA 3.24Å; P97-G99 PolarHBondContact O-N 3.27Å |
| 98 | A | 56.8 | Low | 57.3 | Low | 114 Ų | 114 | 131.2 Ų | 131.2 | 94% | 0.942 | 77% | 0.771 | S | S | * | * | S | Bend | trans | -49.2 | 97.9 | 170.9 | 0 | 0 | 0 | 0 | 0 | 108.1 | T96 | T96-A98 PolarHBondContact O-N 2.92Š|
| 99 | G | 51 | Low | 57.5 | Low | 66 Ų | 66 | 129.6 Ų | 129.6 | 68% | 0.68 | 77% | 0.772 | S | S | * | * | | | trans | 169.3 | 29.4 | -163.3 | 0 | 0 | 0 | 0 | 0 | 117.2 | P97 | P97-G99 VanDerWaalsContact C-N 3.3Å; P97-G99 WeakPolarHBondContact O-CA 3.24Å; P97-G99 PolarHBondContact O-N 3.27Å |
| 100 | R | 55.7 | Low | 57.2 | Low | 235 Ų | 235 | 132.7 Ų | 132.7 | 89% | 0.887 | 78% | 0.777 | S | S | * | * | | | trans | -156.4 | 47.1 | 160.7 | -135.3 | 163.7 | -137 | -112.8 | -0.3 | 114.7 | | |
| 101 | R | 54 | Low | 56.7 | Low | 243 Ų | 243 | 134.4 Ų | 134.4 | 92% | 0.917 | 79% | 0.785 | S | S | * | * | | | trans | -103.1 | 61.5 | 148.9 | -69.6 | -162.6 | -171 | -91.4 | 5.4 | 109.2 | | |
| 102 | K | 53 | Low | 56.7 | Low | 198 Ų | 198 | 136.7 Ų | 136.7 | 86% | 0.861 | 80% | 0.8 | S | S | * | * | | | trans | -99.1 | 88.6 | 145.9 | -68.9 | -152.8 | -175.8 | -132.1 | 0 | 105.6 | A104 | K102-A104 PolarHBondContact O-N 3.11Å; K102-A104 VanDerWaalsContact O-N 3.16Å |
| 103 | R | 57.3 | Low | 57 | Low | 227 Ų | 227 | 136.1 Ų | 136.1 | 86% | 0.857 | 80% | 0.798 | S | S | * | * | | | trans | -51.5 | 119.3 | 153.5 | -168.5 | -178.3 | -64.5 | -104.9 | 4.8 | 104.1 | G105 | R103-G105 VanDerWaalsContact C-N 3.31Å; R103-G105 PolarHBondContact O-N 3.31Å |
| 104 | A | 54.5 | Low | 57.5 | Low | 102 Ų | 102 | 131 Ų | 131 | 84% | 0.843 | 80% | 0.797 | S | S | * | * | | | trans | -54.9 | 96.5 | -179 | 0 | 0 | 0 | 0 | 0 | 108.7 | K102 | K102-A104 PolarHBondContact O-N 3.11Å; K102-A104 VanDerWaalsContact O-N 3.16Å |
| 105 | G | 59.8 | Low | 58 | Low | 57 Ų | 57 | 126.7 Ų | 126.7 | 59% | 0.588 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -84.4 | 144.9 | 156.4 | 0 | 0 | 0 | 0 | 0 | 107.2 | R103 | R103-G105 VanDerWaalsContact C-N 3.31Å; R103-G105 PolarHBondContact O-N 3.31Å |
| 106 | P | 63.4 | Low | 58.6 | Low | 135 Ų | 135 | 128.2 Ų | 128.2 | 88% | 0.877 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 145.1 | -172 | 25.2 | -32.4 | 0 | 0 | 0 | 111.2 | | |
| 107 | A | 61.4 | Low | 59.4 | Low | 89 Ų | 89 | 128.1 Ų | 128.1 | 74% | 0.736 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -50.7 | 147.2 | -171.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | A109 | A107-A109 PolarHBondContact O-N 2.84Š|
| 108 | P | 53.5 | Low | 60 | Low | 120 Ų | 120 | 129 Ų | 129 | 78% | 0.779 | 80% | 0.804 | S | S | * | * | | | trans | -79 | 106.9 | 164.6 | 31.3 | -27 | 0 | 0 | 0 | 108.2 | T110 | P108-T110 PolarHBondContact O-N 2.77Š|
| 109 | A | 57.9 | Low | 60.1 | Low | 102 Ų | 102 | 129 Ų | 129 | 84% | 0.843 | 80% | 0.795 | S | S | * | * | | | trans | -63.5 | 123 | 169.4 | 0 | 0 | 0 | 0 | 0 | 109 | A107 | A107-A109 PolarHBondContact O-N 2.84Š|
| 110 | T | 53.6 | Low | 60.3 | Low | 134 Ų | 134 | 131.4 Ų | 131.4 | 82% | 0.822 | 80% | 0.8 | S | S | * | * | | | trans | -68.4 | 130 | -179.2 | -37.3 | 0 | 0 | 0 | 0 | 110.1 | P108 | P108-T110 PolarHBondContact O-N 2.77Š|
| 111 | A | 47.7 | Very low | 60.1 | Low | 96 Ų | 96 | 124.4 Ų | 124.4 | 79% | 0.793 | 79% | 0.793 | S | S | * | * | | | trans | 29.8 | 106.9 | 150.5 | 0 | 0 | 0 | 0 | 0 | 119.1 | | |
| 112 | A | 62.3 | Low | 59.9 | Low | 92 Ų | 92 | 119.7 Ų | 119.7 | 76% | 0.76 | 79% | 0.785 | S | S | * | * | | | trans | -143.3 | 138.4 | 149.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 113 | P | 67.5 | Low | 60 | Low | 120 Ų | 120 | 118.6 Ų | 118.6 | 78% | 0.779 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 152.3 | -175.7 | 30 | -34.7 | 0 | 0 | 0 | 112 | A115 | P113-A115 PolarHBondContact O-N 3.01Š|
| 114 | P | 67.5 | Low | 59.3 | Low | 134 Ų | 134 | 111 Ų | 111 | 87% | 0.87 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 120.8 | 179.4 | 28.5 | -32.6 | 0 | 0 | 0 | 111.1 | | |
| 115 | A | 67.4 | Low | 59.2 | Low | 89 Ų | 89 | 111.7 Ų | 111.7 | 74% | 0.736 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -73.8 | 152 | 168.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | P113 | P113-A115 PolarHBondContact O-N 3.01Š|
| 116 | P | 71.7 | Confident | 59 | Low | 118 Ų | 118 | 117.2 Ų | 117.2 | 77% | 0.766 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -72.2 | 160.2 | -175.2 | 29.4 | -35 | 0 | 0 | 0 | 113.7 | | |
| 117 | P | 71.2 | Confident | 58.7 | Low | 117 Ų | 117 | 118.5 Ų | 118.5 | 76% | 0.76 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -74 | 151.6 | -167.9 | 30.1 | -35.8 | 0 | 0 | 0 | 113.9 | | |
| 118 | P | 73.8 | Confident | 58.2 | Low | 122 Ų | 122 | 125.5 Ų | 125.5 | 79% | 0.792 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -80.4 | 145.8 | 178.6 | 32.6 | -34.1 | 0 | 0 | 0 | 112.3 | | |
| 119 | P | 58.5 | Low | 58.3 | Low | 114 Ų | 114 | 124.4 Ų | 124.4 | 74% | 0.74 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -91.6 | 141.7 | 170.9 | 34.3 | -30.5 | 0 | 0 | 0 | 112.8 | | |
| 120 | S | 54.4 | Low | 58.2 | Low | 115 Ų | 115 | 130.2 Ų | 130.2 | 80% | 0.804 | 79% | 0.789 | S | S | * | * | | | trans | 82.8 | 133.7 | 138.5 | -60 | 0 | 0 | 0 | 0 | 122.2 | | |
| 121 | A | 51.5 | Low | 57.8 | Low | 88 Ų | 88 | 127.6 Ų | 127.6 | 73% | 0.727 | 79% | 0.788 | S | S | * | * | | | trans | 84.5 | 102.7 | 144.2 | 0 | 0 | 0 | 0 | 0 | 117.6 | | |
| 122 | L | 51.3 | Low | 57.8 | Low | 144 Ų | 144 | 126.5 Ų | 126.5 | 75% | 0.754 | 79% | 0.787 | S | S | * | * | | | | 71.3 | 101.1 | 83.9 | -99.4 | 139.5 | 0 | 0 | 0 | 113.7 | | |
| 123 | H | 53.5 | Low | 57.5 | Low | 176 Ų | 176 | 130.7 Ų | 130.7 | 82% | 0.815 | 80% | 0.795 | S | S | * | * | | | | 148.2 | 137.7 | 119.7 | -84.6 | 119.1 | 0 | 0 | 0 | 113.2 | | |
| 124 | G | 44 | Very low | 56.9 | Low | 66 Ų | 66 | 131.1 Ų | 131.1 | 68% | 0.68 | 80% | 0.801 | S | S | * | * | | | trans | 84.2 | 89 | 152.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 125 | S | 50.9 | Low | 56.2 | Low | 117 Ų | 117 | 134.4 Ų | 134.4 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | | | | 37 | 107.1 | 91.8 | -77.1 | 0 | 0 | 0 | 0 | 113.7 | | |
| 126 | L | 56.1 | Low | 55.5 | Low | 174 Ų | 174 | 134.7 Ų | 134.7 | 91% | 0.911 | 81% | 0.805 | S | S | * | * | | | | -156.3 | 125.9 | 118.6 | -87.4 | -169.4 | 0 | 0 | 0 | 110 | | |
| 127 | L | 56.6 | Low | 54.4 | Low | 161 Ų | 161 | 133.5 Ų | 133.5 | 84% | 0.843 | 81% | 0.805 | S | S | * | * | | | trans | -62.6 | 141.8 | -176.8 | -66 | 146 | 0 | 0 | 0 | 112.2 | | |
| 128 | R | 52.2 | Low | 53.8 | Low | 236 Ų | 236 | 133.9 Ų | 133.9 | 89% | 0.891 | 81% | 0.807 | S | S | * | * | | | trans | -142.8 | 97.9 | 151.6 | -171.4 | 111.5 | 130.8 | -156.7 | -4.1 | 109.4 | | |
| 129 | P | 54.7 | Low | 52.6 | Low | 97 Ų | 97 | 132.5 Ų | 132.5 | 63% | 0.63 | 81% | 0.806 | S | S | * | * | | | trans | -101.2 | 132 | 168.9 | 34 | -23.1 | 0 | 0 | 0 | 109.5 | | |
| 130 | Y | 55.3 | Low | 52.6 | Low | 225 Ų | 225 | 134.9 Ų | 134.9 | 88% | 0.882 | 81% | 0.812 | S | S | * | * | | | trans | -153.6 | 116.2 | 155.8 | -90 | -72.6 | 0 | 0 | 0 | 110.5 | | |
| 131 | G | 45.6 | Very low | 52.4 | Low | 78 Ų | 78 | 133.7 Ų | 133.7 | 80% | 0.804 | 81% | 0.809 | S | S | * | * | | | trans | 64.2 | 106.1 | 155.2 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 132 | G | 48.8 | Very low | 52.5 | Low | 74 Ų | 74 | 135 Ų | 135 | 76% | 0.763 | 81% | 0.813 | S | S | * | * | | | | 74.3 | 100.5 | 58.8 | 0 | 0 | 0 | 0 | 0 | 107.8 | | |
| 133 | L | 55.5 | Low | 52.4 | Low | 179 Ų | 179 | 133.5 Ų | 133.5 | 94% | 0.937 | 81% | 0.812 | S | S | * | * | | | | -152.6 | 124.5 | 75.2 | -72 | 161.6 | 0 | 0 | 0 | 110.7 | | |
| 134 | S | 53.7 | Low | 52.5 | Low | 129 Ų | 129 | 133.5 Ų | 133.5 | 90% | 0.902 | 82% | 0.817 | S | S | * | * | | | trans | -94.3 | 131.3 | 163.8 | -58.9 | 0 | 0 | 0 | 0 | 108.6 | | |
| 135 | F | 54.1 | Low | 52.7 | Low | 203 Ų | 203 | 134.4 Ų | 134.4 | 89% | 0.89 | 82% | 0.818 | S | S | * | * | | | trans | -113.6 | 132.7 | 153.7 | 67.5 | -93.5 | 0 | 0 | 0 | 108.4 | | |
| 136 | A | 52.5 | Low | 52.4 | Low | 95 Ų | 95 | 134 Ų | 134 | 79% | 0.785 | 82% | 0.822 | S | S | * | * | | | trans | -75.6 | 147.1 | -168.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 137 | A | 49 | Very low | 52.4 | Low | 93 Ų | 93 | 131.3 Ų | 131.3 | 77% | 0.769 | 81% | 0.812 | S | S | * | * | | | trans | -79.6 | 154.5 | 161.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 138 | P | 57 | Low | 52.2 | Low | 125 Ų | 125 | 127.7 Ų | 127.7 | 81% | 0.812 | 79% | 0.794 | S | S | * | * | | | trans | -104.2 | 115.7 | 146 | 30.8 | -19.2 | 0 | 0 | 0 | 109.2 | | |
| 139 | A | 48.6 | Very low | 52.5 | Low | 93 Ų | 93 | 121.3 Ų | 121.3 | 77% | 0.769 | 78% | 0.783 | S | S | * | * | | | trans | -72.8 | 127.2 | 162.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 140 | L | 59.3 | Low | 52.4 | Low | 164 Ų | 164 | 122 Ų | 122 | 86% | 0.859 | 78% | 0.781 | S | S | * | * | | | trans | -135.5 | 105.2 | 150.3 | -66.1 | 176.9 | 0 | 0 | 0 | 104.4 | | |
| 141 | A | 51.2 | Low | 52.5 | Low | 90 Ų | 90 | 119.3 Ų | 119.3 | 74% | 0.744 | 77% | 0.769 | S | S | * | * | | | | 54.5 | 130.4 | 104.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 142 | S | 53 | Low | 53 | Low | 117 Ų | 117 | 124.9 Ų | 124.9 | 82% | 0.818 | 77% | 0.766 | S | S | * | * | | | cis | -170.9 | 167.4 | -3.6 | -111.1 | 0 | 0 | 0 | 0 | 105.1 | | |
| 143 | P | 48.8 | Very low | 53.4 | Low | 112 Ų | 112 | 127.8 Ų | 127.8 | 73% | 0.727 | 76% | 0.763 | S | S | * | * | | | trans | -89.3 | 151.6 | -147.8 | 35.3 | -32.7 | 0 | 0 | 0 | 112.8 | | |
| 144 | L | 54.9 | Low | 53.6 | Low | 176 Ų | 176 | 125 Ų | 125 | 92% | 0.921 | 75% | 0.749 | S | S | * | * | | | trans | -169.1 | 133.9 | 148.7 | -98.7 | 178.5 | 0 | 0 | 0 | 110.7 | | |
| 145 | A | 50 | Low | 53.6 | Low | 84 Ų | 84 | 126 Ų | 126 | 69% | 0.694 | 74% | 0.744 | S | S | * | * | | | trans | 68 | 104.2 | 161.8 | 0 | 0 | 0 | 0 | 0 | 118.5 | V147 | A145-V147 PolarHBondContact O-N 2.8Å; A145-V147 VanDerWaalsContact O-N 3.15Å |
| 146 | A | 43.7 | Very low | 53.9 | Low | 110 Ų | 110 | 123.1 Ų | 123.1 | 91% | 0.909 | 74% | 0.737 | S | S | * | * | | | trans | -36.8 | 111.3 | 155.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 147 | V | 57 | Low | 53.9 | Low | 116 Ų | 116 | 121.4 Ų | 121.4 | 70% | 0.703 | 73% | 0.729 | S | S | * | * | | | trans | -132.4 | 120.4 | 163.6 | 180 | 0 | 0 | 0 | 0 | 107.8 | A145 | A145-V147 PolarHBondContact O-N 2.8Å; A145-V147 VanDerWaalsContact O-N 3.15Å |
| 148 | D | 51.4 | Low | 53.9 | Low | 85 Ų | 85 | 120.3 Ų | 120.3 | 46% | 0.455 | 73% | 0.726 | S | S | . | * | | | trans | -46.6 | 127.2 | -179.5 | 177.6 | -98.9 | 0 | 0 | 0 | 113.4 | D150 R151 | D148-D150 PolarHBondContact O-N 3.26Å; D148-D150 WeakPolarHBondContact OD1-CA 3.24Å; D148-D150 VanDerWaalsContact OD1-CB 3.3Å; D148-D150 WeakPolarHBondContact OD1-CB 3.41Å; D148-D150 PolarHBondContact OD1-N 3.03Å; D148-D150 VanDerWaalsContact OD1-N 3.11Å; D148-R151 HydrophobicContact CB-CB 4.37Å; D148-R151 PolarHBondContact O-N 3.36Å; D148-R151 PolarHBondContact OD1-N 3.05Å |
| 149 | P | 59.1 | Low | 53.6 | Low | 102 Ų | 102 | 118.6 Ų | 118.6 | 66% | 0.662 | 72% | 0.718 | S | S | * | * | H | α-helix | trans | -68.4 | -19.6 | -178.7 | 27.3 | -33.7 | 0 | 0 | 0 | 113.5 | | |
| 150 | D | 51.6 | Low | 53.9 | Low | 111 Ų | 111 | 122.9 Ų | 122.9 | 59% | 0.594 | 72% | 0.719 | S | S | * | * | H | α-helix | trans | -79.1 | -24 | 177.1 | -81.8 | -62.2 | 0 | 0 | 0 | 112.4 | D148 | D148-D150 PolarHBondContact O-N 3.26Å; D148-D150 WeakPolarHBondContact OD1-CA 3.24Å; D148-D150 VanDerWaalsContact OD1-CB 3.3Å; D148-D150 WeakPolarHBondContact OD1-CB 3.41Å; D148-D150 PolarHBondContact OD1-N 3.03Å; D148-D150 VanDerWaalsContact OD1-N 3.11Å |
| 151 | R | 57.5 | Low | 53.8 | Low | 170 Ų | 170 | 119.9 Ų | 119.9 | 64% | 0.642 | 71% | 0.708 | S | S | * | * | H | α-helix | trans | -72.1 | -23.1 | 171 | -89 | -82.6 | 133.9 | 164.2 | -5.9 | 114.1 | D148 | D148-R151 HydrophobicContact CB-CB 4.37Å; D148-R151 PolarHBondContact O-N 3.36Å; D148-R151 PolarHBondContact OD1-N 3.05Å |
| 152 | R | 56.7 | Low | 53.8 | Low | 194 Ų | 194 | 120.5 Ų | 120.5 | 73% | 0.732 | 71% | 0.707 | S | S | * | * | H | α-helix | trans | -77.6 | -24.7 | 173.7 | -77.4 | -142.7 | 137.1 | -165.5 | -4 | 113.9 | L156 | R152-L156 WeakPolarHBondContact O-CD1 3.5Å; R152-L156 VanDerWaalsContact O-CG 3.24Å; R152-L156 WeakPolarHBondContact O-CG 3.37Å; R152-L156 PolarHBondContact O-N 2.58Å |
| 153 | L | 56.2 | Low | 54.1 | Low | 135 Ų | 135 | 122.7 Ų | 122.7 | 71% | 0.707 | 71% | 0.709 | S | S | * | * | H | α-helix | trans | -77.1 | -25.2 | 177.4 | -155.7 | 96.7 | 0 | 0 | 0 | 112.6 | | |
| 154 | L | 59.5 | Low | 54.6 | Low | 121 Ų | 121 | 124.6 Ų | 124.6 | 63% | 0.634 | 71% | 0.711 | S | S | * | * | H | α-helix | trans | -88.8 | -17.6 | -179.7 | -67.2 | 164.2 | 0 | 0 | 0 | 113.3 | | |
| 155 | D | 55.6 | Low | 54.2 | Low | 149 Ų | 149 | 120.4 Ų | 120.4 | 80% | 0.797 | 70% | 0.701 | S | S | * | * | H | α-helix | trans | -102.4 | -8.5 | 179.4 | -140.3 | 20.4 | 0 | 0 | 0 | 112.8 | G157 | D155-G157 PolarHBondContact O-N 2.87Å |
| 156 | L | 60 | Low | 54 | Low | 143 Ų | 143 | 122.5 Ų | 122.5 | 75% | 0.749 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -80.8 | 3.5 | 161.5 | -71.8 | 162.6 | 0 | 0 | 0 | 111.9 | R152 G158 | R152-L156 WeakPolarHBondContact O-CD1 3.5Å; R152-L156 VanDerWaalsContact O-CG 3.24Å; R152-L156 WeakPolarHBondContact O-CG 3.37Å; R152-L156 PolarHBondContact O-N 2.58Å; L156-G158 VanDerWaalsContact C-N 3.28Å; L156-G158 PolarHBondContact O-N 2.78Å |
| 157 | G | 51.7 | Low | 54.1 | Low | 60 Ų | 60 | 121 Ų | 121 | 62% | 0.619 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -69.5 | 83.3 | 172 | 0 | 0 | 0 | 0 | 0 | 110.6 | D155 S159 | D155-G157 PolarHBondContact O-N 2.87Å; G157-S159 PolarHBondContact O-N 2.88Å |
| 158 | G | 50.1 | Low | 53.6 | Low | 69 Ų | 69 | 119.8 Ų | 119.8 | 71% | 0.711 | 71% | 0.706 | S | S | * | * | | | trans | -43.3 | 119.2 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | L156 F160 | L156-G158 VanDerWaalsContact C-N 3.28Å; L156-G158 PolarHBondContact O-N 2.78Å; G158-F160 PolarHBondContact O-N 3.49Å |
| 159 | S | 50 | Low | 53.5 | Low | 90 Ų | 90 | 123.4 Ų | 123.4 | 63% | 0.629 | 73% | 0.725 | S | S | * | * | | | trans | -52 | 123.8 | 160.8 | -173.5 | 0 | 0 | 0 | 0 | 109.6 | G157 T161 | G157-S159 PolarHBondContact O-N 2.88Å; S159-T161 PolarHBondContact O-N 2.76Å |
| 160 | F | 55.8 | Low | 53.1 | Low | 183 Ų | 183 | 124.9 Ų | 124.9 | 80% | 0.803 | 73% | 0.732 | S | S | * | * | G | 310 helix | trans | -73.9 | 15.6 | 179 | 51.3 | -93.8 | 0 | 0 | 0 | 113.4 | G158 | G158-F160 PolarHBondContact O-N 3.49Š|
| 161 | T | 55.9 | Low | 52.5 | Low | 100 Ų | 100 | 123.3 Ų | 123.3 | 61% | 0.613 | 74% | 0.741 | S | S | * | * | G | 310 helix | trans | -91.8 | 0 | -171.6 | -61 | 0 | 0 | 0 | 0 | 114 | S159 | S159-T161 PolarHBondContact O-N 2.76Š|
| 162 | S | 52.4 | Low | 52.2 | Low | 103 Ų | 103 | 121.9 Ų | 121.9 | 72% | 0.72 | 75% | 0.752 | S | S | * | * | G | 310 helix | trans | -102.4 | 5.4 | -179.9 | -59.6 | 0 | 0 | 0 | 0 | 115.6 | | |
| 163 | L | 58.4 | Low | 51.9 | Low | 164 Ų | 164 | 121 Ų | 121 | 86% | 0.859 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -94.5 | 8.5 | 178.1 | -66.7 | 175.5 | 0 | 0 | 0 | 114.4 | | |
| 164 | I | 58.2 | Low | 51.5 | Low | 152 Ų | 152 | 124.3 Ų | 124.3 | 78% | 0.779 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -121.5 | 7.4 | -175.8 | -54.9 | 174 | 0 | 0 | 0 | 112.2 | P166 | I164-P166 WeakPolarHBondContact O-CD 3.49Š|
| 165 | A | 48 | Very low | 50.7 | Low | 87 Ų | 87 | 123.6 Ų | 123.6 | 72% | 0.719 | 77% | 0.769 | S | S | * | * | | | trans | -87.7 | 119.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 166 | P | 44.9 | Very low | 50.3 | Low | 128 Ų | 128 | 120 Ų | 120 | 83% | 0.831 | 76% | 0.761 | S | S | * | * | | | trans | -84.1 | 135.7 | 175.8 | 33.7 | -29.1 | 0 | 0 | 0 | 109.9 | I164 | I164-P166 WeakPolarHBondContact O-CD 3.49Š|
| 167 | G | 45.2 | Very low | 49.5 | Very low | 79 Ų | 79 | 122 Ų | 122 | 81% | 0.814 | 77% | 0.766 | S | S | * | * | | | trans | 99.4 | 103.3 | 161.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 168 | A | 48.2 | Very low | 48.9 | Very low | 91 Ų | 91 | 129.2 Ų | 129.2 | 75% | 0.752 | 78% | 0.781 | S | S | * | * | | | | 176.8 | 119.4 | 115.4 | 0 | 0 | 0 | 0 | 0 | 108.2 | V170 | A168-V170 PolarHBondContact O-N 2.83Š|
| 169 | D | 47.9 | Very low | 48.9 | Very low | 161 Ų | 161 | 133.3 Ų | 133.3 | 86% | 0.861 | 79% | 0.786 | S | S | * | * | | | trans | -33.6 | 111.3 | 163.9 | -172 | -104 | 0 | 0 | 0 | 113.1 | | |
| 170 | V | 52 | Low | 48.7 | Very low | 133 Ų | 133 | 136.2 Ų | 136.2 | 81% | 0.806 | 80% | 0.799 | S | S | * | * | | | trans | -156.1 | 105.6 | 154 | -91.1 | 0 | 0 | 0 | 0 | 108.1 | A168 | A168-V170 PolarHBondContact O-N 2.83Š|
| 171 | G | 38.8 | Very low | 47.9 | Very low | 77 Ų | 77 | 131.4 Ų | 131.4 | 79% | 0.794 | 80% | 0.802 | S | S | * | * | | | trans | -63.3 | 131.7 | 180 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 172 | V | 50.2 | Low | 47.3 | Very low | 141 Ų | 141 | 130.3 Ų | 130.3 | 86% | 0.855 | 81% | 0.81 | S | S | * | * | | | trans | -133.4 | 109 | 155.9 | -87 | 0 | 0 | 0 | 0 | 107.9 | F174 | V172-F174 PolarHBondContact O-N 3.14Š|
| 173 | H | 52 | Low | 47.2 | Very low | 176 Ų | 176 | 133.9 Ų | 133.9 | 82% | 0.815 | 82% | 0.82 | S | S | * | * | | | trans | -57.5 | 116.6 | -177.9 | -153.4 | -111 | 0 | 0 | 0 | 110.2 | | |
| 174 | F | 45.9 | Very low | 47 | Very low | 203 Ų | 203 | 130.6 Ų | 130.6 | 89% | 0.89 | 82% | 0.816 | S | S | * | * | | | trans | -87.6 | 117.5 | 169.5 | -173.4 | -98.6 | 0 | 0 | 0 | 108.5 | V172 A176 | V172-F174 PolarHBondContact O-N 3.14Å; F174-A176 PolarHBondContact O-N 2.85Å |
| 175 | S | 43.5 | Very low | 46.6 | Very low | 106 Ų | 106 | 129.3 Ų | 129.3 | 74% | 0.741 | 82% | 0.818 | S | S | * | * | | | trans | -61.1 | 102.1 | -173.9 | -52.9 | 0 | 0 | 0 | 0 | 112.9 | | |
| 176 | A | 46.3 | Very low | 46.7 | Very low | 74 Ų | 74 | 130.1 Ų | 130.1 | 61% | 0.612 | 83% | 0.825 | S | S | * | * | | | trans | -118 | 146 | 139.9 | 0 | 0 | 0 | 0 | 0 | 105.4 | F174 | F174-A176 PolarHBondContact O-N 2.85Š|
| 177 | E | 44.2 | Very low | 46.7 | Very low | 184 Ų | 184 | 128.7 Ų | 128.7 | 86% | 0.86 | 82% | 0.824 | S | S | * | * | | | trans | 87.8 | 84.8 | -172.7 | -45.9 | -91.7 | 78.3 | 0 | 0 | 113.6 | L179 | E177-L179 PolarHBondContact O-N 3.31Š|
| 178 | F | 39 | Very low | 47.5 | Very low | 212 Ų | 212 | 132.9 Ų | 132.9 | 93% | 0.93 | 83% | 0.827 | S | S | * | * | | | trans | -86 | 90.4 | 157.2 | -169.8 | -87.2 | 0 | 0 | 0 | 107.2 | | |
| 179 | L | 50.7 | Low | 48.2 | Very low | 156 Ų | 156 | 134.5 Ų | 134.5 | 82% | 0.817 | 83% | 0.83 | S | S | * | * | | | trans | -166.9 | 107.3 | 168.1 | -111.1 | 153.2 | 0 | 0 | 0 | 110.1 | E177 | E177-L179 PolarHBondContact O-N 3.31Š|
| 180 | V | 46.1 | Very low | 48.5 | Very low | 150 Ų | 150 | 138 Ų | 138 | 91% | 0.909 | 83% | 0.83 | S | S | * | * | S | Bend | trans | 151.4 | 110.3 | 148.2 | 161.4 | 0 | 0 | 0 | 0 | 107.5 | | |
| 181 | G | 39 | Very low | 48.6 | Very low | 83 Ų | 83 | 136.2 Ų | 136.2 | 86% | 0.856 | 83% | 0.83 | S | S | * | * | | | trans | 121.1 | 79.8 | 168.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 182 | G | 42.7 | Very low | 49.5 | Very low | 77 Ų | 77 | 138.3 Ų | 138.3 | 79% | 0.794 | 83% | 0.828 | S | S | * | * | | | trans | -178.4 | 107.5 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 183 | L | 50.2 | Low | 49.8 | Very low | 178 Ų | 178 | 135.9 Ų | 135.9 | 93% | 0.932 | 82% | 0.822 | S | S | * | * | | | trans | -59.8 | 132 | -173.2 | -70.2 | 140.4 | 0 | 0 | 0 | 114.1 | | |
| 184 | A | 53.8 | Low | 50.4 | Low | 94 Ų | 94 | 133 Ų | 133 | 78% | 0.777 | 82% | 0.822 | S | S | * | * | | | trans | 54.5 | 146.2 | 142.1 | 0 | 0 | 0 | 0 | 0 | 122.2 | | |
| 185 | P | 50 | Low | 51.4 | Low | 126 Ų | 126 | 129.4 Ų | 129.4 | 82% | 0.818 | 82% | 0.817 | S | S | * | * | | | trans | -111.1 | 157 | -149.6 | 37.4 | -24.1 | 0 | 0 | 0 | 114.3 | | |
| 186 | A | 49.2 | Very low | 52.8 | Low | 104 Ų | 104 | 129.6 Ų | 129.6 | 86% | 0.86 | 82% | 0.815 | S | S | * | * | | | trans | -126 | 116.8 | 159 | 0 | 0 | 0 | 0 | 0 | 108.8 | | |
| 187 | A | 44.8 | Very low | 54.1 | Low | 98 Ų | 98 | 130.8 Ų | 130.8 | 81% | 0.81 | 83% | 0.825 | S | S | * | * | | | trans | -79.2 | 131.9 | -174.2 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 188 | L | 63.3 | Low | 55.6 | Low | 167 Ų | 167 | 129.6 Ų | 129.6 | 87% | 0.874 | 82% | 0.824 | S | S | * | * | | | trans | -140.5 | 141.4 | 155 | -78 | 176.3 | 0 | 0 | 0 | 109.3 | | |
| 189 | P | 62.7 | Low | 57.7 | Low | 125 Ų | 125 | 124.7 Ų | 124.7 | 81% | 0.812 | 81% | 0.813 | S | S | * | * | | | trans | -75.7 | 131.9 | -166.3 | 30.2 | -33.9 | 0 | 0 | 0 | 111.7 | | |
| 190 | R | 53.5 | Low | 59.3 | Low | 233 Ų | 233 | 122.8 Ų | 122.8 | 88% | 0.879 | 81% | 0.81 | S | S | * | * | | | trans | -86 | 109.2 | 172.5 | -150.7 | 167.2 | 86.6 | 169.4 | 6.1 | 108.2 | T192 | R190-T192 PolarHBondContact O-N 3.03Š|
| 191 | A | 54 | Low | 61 | Low | 97 Ų | 97 | 121 Ų | 121 | 80% | 0.802 | 80% | 0.802 | S | S | * | * | | | trans | -64.6 | 113.7 | 170.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | A193 | A191-A193 PolarHBondContact O-N 2.91Š|
| 192 | T | 57.5 | Low | 63 | Low | 121 Ų | 121 | 122.4 Ų | 122.4 | 74% | 0.742 | 80% | 0.795 | S | S | * | * | | | trans | -80 | 95.4 | 169.9 | 41.6 | 0 | 0 | 0 | 0 | 108.7 | R190 S194 | R190-T192 PolarHBondContact O-N 3.03Å; T192-S194 PolarHBondContact O-N 2.99Å |
| 193 | A | 57.5 | Low | 64.6 | Low | 90 Ų | 90 | 124.4 Ų | 124.4 | 74% | 0.744 | 79% | 0.794 | S | S | * | * | | | trans | -78.7 | 103.8 | 161.4 | 0 | 0 | 0 | 0 | 0 | 107.9 | A191 V195 | A191-A193 PolarHBondContact O-N 2.91Å; A193-V195 PolarHBondContact O-N 3.5Å; A193-V195 VanDerWaalsContact O-N 3.13Å |
| 194 | S | 64.6 | Low | 65.5 | Low | 116 Ų | 116 | 124.8 Ų | 124.8 | 81% | 0.811 | 79% | 0.791 | S | S | * | * | | | trans | -60.8 | 108.8 | 170.9 | -59.3 | 0 | 0 | 0 | 0 | 109.4 | T192 | T192-S194 PolarHBondContact O-N 2.99Š|
| 195 | V | 67 | Low | 65.8 | Low | 127 Ų | 127 | 128.6 Ų | 128.6 | 77% | 0.77 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -75.3 | 123.1 | 168.8 | -169.7 | 0 | 0 | 0 | 0 | 106.8 | A193 A197 | A193-V195 PolarHBondContact O-N 3.5Å; A193-V195 VanDerWaalsContact O-N 3.13Å; V195-A197 PolarHBondContact O-N 3.36Å |
| 196 | P | 71.7 | Confident | 66.2 | Low | 110 Ų | 110 | 131.3 Ų | 131.3 | 71% | 0.714 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -63 | 125.6 | 174 | 25.4 | -31.2 | 0 | 0 | 0 | 108.8 | L198 | P196-L198 PolarHBondContact O-N 3.05Š|
| 197 | A | 74.8 | Confident | 66.3 | Low | 99 Ų | 99 | 135.2 Ų | 135.2 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 123.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | V195 | V195-A197 PolarHBondContact O-N 3.36Š|
| 198 | L | 75.8 | Confident | 66.2 | Low | 159 Ų | 159 | 138.3 Ų | 138.3 | 83% | 0.832 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 136.9 | 170 | -93.1 | 92.2 | 0 | 0 | 0 | 109.1 | P196 | P196-L198 PolarHBondContact O-N 3.05Š|
| 199 | P | 83.5 | Confident | 65.9 | Low | 109 Ų | 109 | 135.8 Ų | 135.8 | 71% | 0.708 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 146.3 | 173.4 | 27.6 | -33.6 | 0 | 0 | 0 | 110.4 | | |
| 200 | P | 84 | Confident | 65.6 | Low | 115 Ų | 115 | 136.3 Ų | 136.3 | 75% | 0.747 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -62 | 147.6 | 175.9 | 27 | -34 | 0 | 0 | 0 | 110.7 | | |
| 201 | P | 82.3 | Confident | 65.8 | Low | 114 Ų | 114 | 131.3 Ų | 131.3 | 74% | 0.74 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -62 | 144.7 | 175.4 | 27.1 | -33.8 | 0 | 0 | 0 | 110.4 | | |
| 202 | P | 80.3 | Confident | 65.8 | Low | 111 Ų | 111 | 132.6 Ų | 132.6 | 72% | 0.721 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 149.2 | 177.5 | 26.4 | -33.8 | 0 | 0 | 0 | 110.9 | Q204 | P202-Q204 PolarHBondContact O-N 3.35Š|
| 203 | P | 75.6 | Confident | 65.3 | Low | 119 Ų | 119 | 131.8 Ų | 131.8 | 77% | 0.773 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 122.7 | 176.4 | 24.8 | -31.9 | 0 | 0 | 0 | 109.4 | Q205 | P203-Q205 PolarHBondContact O-N 3.02Š|
| 204 | Q | 70 | Confident | 64.9 | Low | 186 Ų | 186 | 136.5 Ų | 136.5 | 87% | 0.869 | 79% | 0.786 | S | S | * | * | | | trans | -59.6 | 105.2 | 170.4 | -75.6 | -82.9 | -10.3 | 0 | 0 | 107.7 | P202 H206 | P202-Q204 PolarHBondContact O-N 3.35Å; Q204-H206 PolarHBondContact O-N 2.94Å; Q204-H206 VanDerWaalsContact O-N 3.15Å |
| 205 | Q | 59.2 | Low | 64.1 | Low | 175 Ų | 175 | 135.6 Ų | 135.6 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | | | trans | -63.4 | 118.7 | 168.5 | -72.2 | -144.7 | -9.8 | 0 | 0 | 107.6 | P203 Q207 | P203-Q205 PolarHBondContact O-N 3.02Å; Q205-Q207 VanDerWaalsContact C-N 3.29Å; Q205-Q207 PolarHBondContact O-N 2.85Å |
| 206 | H | 58.1 | Low | 63.6 | Low | 183 Ų | 183 | 136.7 Ų | 136.7 | 85% | 0.847 | 79% | 0.787 | S | S | * | * | | | trans | -59.5 | 94.3 | 170.8 | -134.3 | 76.4 | 0 | 0 | 0 | 107.4 | Q204 Q208 | Q204-H206 PolarHBondContact O-N 2.94Å; Q204-H206 VanDerWaalsContact O-N 3.15Å; H206-Q208 VanDerWaalsContact C-N 3.34Å; H206-Q208 PolarHBondContact O-N 3.17Å |
| 207 | Q | 52.2 | Low | 63 | Low | 186 Ų | 186 | 137.6 Ų | 137.6 | 87% | 0.869 | 79% | 0.793 | S | S | * | * | | | trans | -67.8 | 99.7 | 167.4 | -93.9 | 173.2 | -8.8 | 0 | 0 | 106.9 | Q205 | Q205-Q207 VanDerWaalsContact C-N 3.29Å; Q205-Q207 PolarHBondContact O-N 2.85Å |
| 208 | Q | 42.9 | Very low | 62.1 | Low | 163 Ų | 163 | 141.5 Ų | 141.5 | 76% | 0.762 | 79% | 0.794 | S | S | * | * | | | trans | -57 | 135.5 | 161.6 | -74.5 | -172.6 | -8.4 | 0 | 0 | 108.1 | H206 T210 | H206-Q208 VanDerWaalsContact C-N 3.34Å; H206-Q208 PolarHBondContact O-N 3.17Å; Q208-T210 PolarHBondContact O-N 3.16Å; Q208-T210 VanDerWaalsContact O-N 3.09Å |
| 209 | P | 57.7 | Low | 61.1 | Low | 114 Ų | 114 | 137.1 Ų | 137.1 | 74% | 0.74 | 79% | 0.788 | S | S | * | * | | | trans | -61.4 | 117.6 | 171.8 | 24.4 | -30 | 0 | 0 | 0 | 108.2 | T211 | P209-T211 PolarHBondContact O-N 3.37Š|
| 210 | T | 56.4 | Low | 59.8 | Low | 135 Ų | 135 | 139.1 Ų | 139.1 | 83% | 0.828 | 79% | 0.792 | S | S | * | * | | | trans | -63.8 | 97.9 | 167.2 | 46.8 | 0 | 0 | 0 | 0 | 108 | Q208 V212 | Q208-T210 PolarHBondContact O-N 3.16Å; Q208-T210 VanDerWaalsContact O-N 3.09Å; T210-V212 PolarHBondContact O-N 2.62Å |
| 211 | T | 56.5 | Low | 58.7 | Low | 129 Ų | 129 | 142.2 Ų | 142.2 | 79% | 0.791 | 79% | 0.794 | S | S | * | * | | | trans | -67.8 | 102.8 | 170.8 | -54.5 | 0 | 0 | 0 | 0 | 108.3 | P209 S213 | P209-T211 PolarHBondContact O-N 3.37Å; T211-S213 PolarHBondContact O-N 3.02Å |
| 212 | V | 53.7 | Low | 57.5 | Low | 124 Ų | 124 | 148.3 Ų | 148.3 | 75% | 0.752 | 80% | 0.802 | S | S | * | * | | | trans | -63.3 | 101.5 | 160.7 | 162.4 | 0 | 0 | 0 | 0 | 107.7 | T210 Q214 | T210-V212 PolarHBondContact O-N 2.62Å; V212-Q214 PolarHBondContact O-N 3.25Å |
| 213 | S | 48.7 | Very low | 56.4 | Low | 104 Ų | 104 | 147.1 Ų | 147.1 | 73% | 0.727 | 80% | 0.796 | S | S | * | * | | | trans | 30.8 | 84.4 | 136.1 | -169.8 | 0 | 0 | 0 | 0 | 116.4 | T211 | T211-S213 PolarHBondContact O-N 3.02Š|
| 214 | Q | 48.2 | Very low | 55.6 | Low | 188 Ų | 188 | 149.3 Ų | 149.3 | 88% | 0.879 | 80% | 0.798 | S | S | * | * | | | trans | -139.9 | 120.5 | 146.4 | -65 | -166.1 | 58.4 | 0 | 0 | 108.6 | V212 L216 | V212-Q214 PolarHBondContact O-N 3.25Å; Q214-L216 PolarHBondContact O-N 3.27Å |
| 215 | A | 48.6 | Very low | 54.9 | Low | 98 Ų | 98 | 143.8 Ų | 143.8 | 81% | 0.81 | 79% | 0.792 | S | S | * | * | | | trans | -68.2 | 121.4 | -171.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 216 | L | 55.9 | Low | 55 | Low | 149 Ų | 149 | 147.6 Ų | 147.6 | 78% | 0.78 | 80% | 0.799 | S | S | * | * | | | trans | -144.4 | 135.2 | 152.8 | -77 | 177.9 | 0 | 0 | 0 | 108.3 | Q214 E218 | Q214-L216 PolarHBondContact O-N 3.27Å; L216-E218 PolarHBondContact O-N 2.86Å |
| 217 | P | 58.2 | Low | 55.7 | Low | 130 Ų | 130 | 144.1 Ų | 144.1 | 84% | 0.844 | 79% | 0.792 | S | S | * | * | | | trans | -76.2 | 88.9 | 178.9 | 30.6 | -32.7 | 0 | 0 | 0 | 110.4 | G219 | P217-G219 PolarHBondContact O-N 3.25Š|
| 218 | E | 57.4 | Low | 56.7 | Low | 181 Ų | 181 | 141.6 Ų | 141.6 | 85% | 0.846 | 79% | 0.785 | S | S | * | * | | | trans | -80.1 | 71.5 | 169 | -61.5 | -156.7 | 123.6 | 0 | 0 | 110.2 | L216 | L216-E218 PolarHBondContact O-N 2.86Š|
| 219 | G | 53.9 | Low | 57.5 | Low | 67 Ų | 67 | 141.8 Ų | 141.8 | 69% | 0.691 | 79% | 0.79 | S | S | * | * | | | trans | -103.4 | 8.2 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | P217 | P217-G219 PolarHBondContact O-N 3.25Š|
| 220 | L | 56.9 | Low | 57.9 | Low | 151 Ų | 151 | 140.1 Ų | 140.1 | 79% | 0.791 | 78% | 0.781 | S | S | * | * | S | Bend | trans | -138 | 0.8 | -168.1 | -81.1 | 164.8 | 0 | 0 | 0 | 116.6 | | |
| 221 | F | 59.4 | Low | 57.9 | Low | 180 Ų | 180 | 145.5 Ų | 145.5 | 79% | 0.789 | 80% | 0.802 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.9 | -9.3 | -171.5 | -165.8 | -110.7 | 0 | 0 | 0 | 115.5 | | |
| 222 | W | 56.9 | Low | 58 | Low | 241 Ų | 241 | 146.3 Ų | 146.3 | 91% | 0.913 | 80% | 0.803 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.6 | 6.3 | -177.6 | -58.7 | 95.8 | 0 | 0 | 0 | 114.9 | | |
| 223 | S | 58.5 | Low | 58.2 | Low | 86 Ų | 86 | 147.5 Ų | 147.5 | 60% | 0.601 | 81% | 0.805 | S | S | * | * | | | trans | -97.2 | 2 | -170.9 | -59.3 | 0 | 0 | 0 | 0 | 115.8 | | |
| 224 | M | 57.7 | Low | 58.8 | Low | 165 Ų | 165 | 149.9 Ų | 149.9 | 81% | 0.813 | 81% | 0.81 | S | S | * | * | S | Bend | trans | -106.4 | 102.3 | 172.6 | -87.7 | 72.9 | -144.2 | 0 | 0 | 110 | | |
| 225 | G | 56 | Low | 59.4 | Low | 71 Ų | 71 | 147.6 Ų | 147.6 | 73% | 0.732 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -52 | 139.3 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | P227 | G225-P227 WeakPolarHBondContact O-CD 3.44Š|
| 226 | W | 62 | Low | 60.1 | Low | 255 Ų | 255 | 150.8 Ų | 150.8 | 97% | 0.966 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 125.3 | 162.4 | -82.5 | 32.4 | 0 | 0 | 0 | 108.6 | D228 | W226-D228 PolarHBondContact O-N 3.42Š|
| 227 | P | 72.4 | Confident | 60.3 | Low | 110 Ų | 110 | 150.9 Ų | 150.9 | 71% | 0.714 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 118.3 | 166.1 | -13.7 | 28 | 0 | 0 | 0 | 108.9 | G225 L229 | G225-P227 WeakPolarHBondContact O-CD 3.44Å; P227-L229 PolarHBondContact O-N 2.72Å |
| 228 | D | 71.9 | Confident | 60.5 | Low | 133 Ų | 133 | 152.4 Ų | 152.4 | 71% | 0.711 | 80% | 0.804 | S | S | * | * | | | trans | -47.4 | 112.2 | 162.5 | -178.3 | 40.4 | 0 | 0 | 0 | 110.3 | W226 S230 | W226-D228 PolarHBondContact O-N 3.42Å; D228-S230 PolarHBondContact OD1-OG 3.23Å; D228-S230 PolarHBondContact OD2-OG 3.23Å |
| 229 | L | 61.3 | Low | 60.7 | Low | 166 Ų | 166 | 150.2 Ų | 150.2 | 87% | 0.869 | 80% | 0.801 | S | S | * | * | | | trans | -101.7 | 85.9 | 159.8 | -98.6 | 82.6 | 0 | 0 | 0 | 107.1 | P227 | P227-L229 PolarHBondContact O-N 2.72Š|
| 230 | S | 66.3 | Low | 61.3 | Low | 79 Ų | 79 | 157.1 Ų | 157.1 | 55% | 0.552 | 81% | 0.81 | S | S | * | * | | | trans | -100.3 | 129.4 | 163.4 | -68.6 | 0 | 0 | 0 | 0 | 108.3 | D228 | D228-S230 PolarHBondContact OD1-OG 3.23Å; D228-S230 PolarHBondContact OD2-OG 3.23Å |
| 231 | I | 56.4 | Low | 61.7 | Low | 248 Ų | 248 | 157.6 Ų | 157.6 | 100% | 1.272 | 81% | 0.812 | S | S | * | * | | | trans | 101 | 0 | -179.3 | -61 | 160.4 | 0 | 0 | 0 | 114.9 | | |