| 1 | E | 57.9 | Low | 58.7 | Low | 247 Ų | 247 | 172.5 Ų | 172.5 | 100% | 1.154 | 86% | 0.859 | S | S | * | * | | | | 0 | 110.3 | 0 | -71.7 | 153.4 | 102.6 | 0 | 0 | 109.1 | | |
| 2 | Q | 54.5 | Low | 58.1 | Low | 195 Ų | 195 | 171.3 Ų | 171.3 | 91% | 0.911 | 85% | 0.849 | S | S | * | * | | | trans | -142.1 | 82.9 | 168.2 | -108.5 | -178.2 | -28.3 | 0 | 0 | 107 | | |
| 3 | S | 56.2 | Low | 57.2 | Low | 89 Ų | 89 | 167.5 Ų | 167.5 | 62% | 0.622 | 85% | 0.85 | S | S | * | * | | | trans | 14.6 | 114.4 | 150.7 | 49.1 | 0 | 0 | 0 | 0 | 119.2 | Y5 | S3-Y5 PolarHBondContact O-N 3.05Š|
| 4 | D | 62.6 | Low | 57.2 | Low | 155 Ų | 155 | 162.1 Ų | 162.1 | 83% | 0.829 | 84% | 0.835 | S | S | * | * | | | trans | -46.3 | 115.3 | 154.7 | -54.3 | -58.7 | 0 | 0 | 0 | 112.6 | | |
| 5 | Y | 56.2 | Low | 56.6 | Low | 208 Ų | 208 | 156.1 Ų | 156.1 | 82% | 0.816 | 83% | 0.828 | S | S | * | * | | | trans | -153.5 | 29.3 | 165.3 | -79.3 | -63.4 | 0 | 0 | 0 | 115.2 | S3 | S3-Y5 PolarHBondContact O-N 3.05Š|
| 6 | L | 58 | Low | 56.2 | Low | 180 Ų | 180 | 150.3 Ų | 150.3 | 94% | 0.942 | 82% | 0.817 | S | S | * | * | | | trans | -122.5 | 39 | 170.6 | -68.6 | 179 | 0 | 0 | 0 | 113.2 | | |
| 7 | E | 63 | Low | 56.4 | Low | 178 Ų | 178 | 148.8 Ų | 148.8 | 83% | 0.832 | 82% | 0.817 | S | S | * | * | | | trans | -121.3 | 90.7 | 162.4 | -81.1 | -165.9 | 148.3 | 0 | 0 | 110.1 | | |
| 8 | L | 60.7 | Low | 56.1 | Low | 173 Ų | 173 | 149.6 Ų | 149.6 | 91% | 0.906 | 82% | 0.82 | S | S | * | * | | | trans | -131.1 | 101 | 153.4 | -82.3 | 174.2 | 0 | 0 | 0 | 109.3 | V10 | L8-V10 PolarHBondContact O-N 2.96Š|
| 9 | L | 61.4 | Low | 56.1 | Low | 149 Ų | 149 | 147.4 Ų | 147.4 | 78% | 0.78 | 82% | 0.817 | S | S | * | * | | | trans | -56.6 | 118.9 | 165.5 | -67 | 143.6 | 0 | 0 | 0 | 110.2 | | |
| 10 | V | 57.8 | Low | 55.9 | Low | 147 Ų | 147 | 146.1 Ų | 146.1 | 89% | 0.891 | 82% | 0.815 | S | S | * | * | | | trans | -101 | 97.3 | 153.8 | 172.1 | 0 | 0 | 0 | 0 | 107.5 | L8 | L8-V10 PolarHBondContact O-N 2.96Š|
| 11 | K | 57.4 | Low | 55.9 | Low | 176 Ų | 176 | 146.4 Ų | 146.4 | 77% | 0.765 | 82% | 0.815 | S | S | * | * | | | trans | -71.9 | 127 | 162.1 | -86.5 | 171.4 | 161.8 | 174.8 | 0 | 108.8 | | |
| 12 | E | 51.6 | Low | 55.7 | Low | 159 Ų | 159 | 141.3 Ų | 141.3 | 74% | 0.743 | 80% | 0.801 | S | S | * | * | | | trans | 41.3 | 118.3 | 140.8 | -158.4 | 176.8 | 172 | 0 | 0 | 119.5 | S14 | E12-S14 PolarHBondContact OE1-OG 3.26Š|
| 13 | S | 45.7 | Very low | 55.5 | Low | 122 Ų | 122 | 140.5 Ų | 140.5 | 85% | 0.853 | 80% | 0.797 | S | S | * | * | | | trans | -129 | 95.7 | 137.8 | -170.3 | 0 | 0 | 0 | 0 | 108.3 | G15 | S13-G15 PolarHBondContact O-N 3.48Š|
| 14 | S | 57.4 | Low | 55.5 | Low | 92 Ų | 92 | 142.9 Ų | 142.9 | 64% | 0.643 | 81% | 0.81 | S | S | * | * | | | trans | -69.9 | 102.2 | 163.1 | 38.1 | 0 | 0 | 0 | 0 | 108.3 | E12 | E12-S14 PolarHBondContact OE1-OG 3.26Š|
| 15 | G | 48.6 | Very low | 54.9 | Low | 71 Ų | 71 | 138.6 Ų | 138.6 | 73% | 0.732 | 80% | 0.803 | S | S | * | * | | | trans | -119.6 | 103.9 | 168.7 | 0 | 0 | 0 | 0 | 0 | 108.7 | S13 | S13-G15 PolarHBondContact O-N 3.48Š|
| 16 | G | 49.4 | Very low | 54.4 | Low | 63 Ų | 63 | 134.7 Ų | 134.7 | 65% | 0.649 | 81% | 0.806 | S | S | * | * | | | trans | -63.4 | 169.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | D18 | G16-D18 PolarHBondContact O-N 3.06Š|
| 17 | P | 60.8 | Low | 54.3 | Low | 126 Ų | 126 | 132.2 Ų | 132.2 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | | | trans | -78.8 | 112.7 | 179.5 | 31.3 | -30.2 | 0 | 0 | 0 | 110.7 | | |
| 18 | D | 49.7 | Very low | 54 | Low | 162 Ų | 162 | 128 Ų | 128 | 87% | 0.866 | 80% | 0.8 | S | S | * | * | | | trans | -132.5 | 85.7 | 166.1 | -88.3 | -49.6 | 0 | 0 | 0 | 110.3 | G16 | G16-D18 PolarHBondContact O-N 3.06Š|
| 19 | S | 56.1 | Low | 53.3 | Low | 109 Ų | 109 | 123.2 Ų | 123.2 | 76% | 0.762 | 79% | 0.792 | S | S | * | * | | | trans | 5.8 | 149.8 | 138.3 | -59.2 | 0 | 0 | 0 | 0 | 119.4 | | |
| 20 | P | 52.9 | Low | 52.8 | Low | 120 Ų | 120 | 122.3 Ų | 122.3 | 78% | 0.779 | 79% | 0.793 | S | S | * | * | | | | -139.9 | 158.7 | 65.2 | 35 | -15.3 | 0 | 0 | 0 | 117.4 | T22 | P20-T22 PolarHBondContact O-N 2.98Š|
| 21 | D | 55.7 | Low | 52.3 | Low | 153 Ų | 153 | 120.6 Ų | 120.6 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | | | trans | -28.7 | 126.1 | 163.1 | -93 | -70 | 0 | 0 | 0 | 114.2 | | |
| 22 | T | 53.3 | Low | 51.9 | Low | 140 Ų | 140 | 118.7 Ų | 118.7 | 86% | 0.859 | 79% | 0.788 | S | S | * | * | | | trans | -108.9 | 116.7 | 151 | 21 | 0 | 0 | 0 | 0 | 107.4 | P20 | P20-T22 PolarHBondContact O-N 2.98Š|
| 23 | E | 50.1 | Low | 52 | Low | 179 Ų | 179 | 114.3 Ų | 114.3 | 84% | 0.836 | 79% | 0.786 | S | S | * | * | | | trans | -46.1 | 148.3 | -167.2 | -62.7 | 175.5 | 91.5 | 0 | 0 | 115.7 | G25 | E23-G25 PolarHBondContact O-N 2.75Š|
| 24 | P | 57.6 | Low | 52.1 | Low | 138 Ų | 138 | 114.1 Ų | 114.1 | 90% | 0.896 | 78% | 0.779 | S | S | * | * | S | Bend | trans | -82.2 | 93.6 | 171.8 | 33.5 | -28.9 | 0 | 0 | 0 | 109.3 | | |
| 25 | G | 50.1 | Low | 52 | Low | 65 Ų | 65 | 118.4 Ų | 118.4 | 67% | 0.67 | 79% | 0.789 | S | S | * | * | | | trans | 169 | 84.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 117 | E23 | E23-G25 PolarHBondContact O-N 2.75Š|
| 26 | S | 44.8 | Very low | 51.9 | Low | 126 Ų | 126 | 119.1 Ų | 119.1 | 88% | 0.881 | 79% | 0.788 | S | S | * | * | | | trans | -158.3 | 114.9 | 130.8 | -97.4 | 0 | 0 | 0 | 0 | 111.8 | A28 | S26-A28 PolarHBondContact O-N 3.11Š|
| 27 | S | 56.9 | Low | 52.2 | Low | 128 Ų | 128 | 121 Ų | 121 | 90% | 0.895 | 79% | 0.792 | S | S | * | * | | | trans | -60.3 | 110.7 | 176.4 | -168.7 | 0 | 0 | 0 | 0 | 111.2 | | |
| 28 | A | 55.8 | Low | 51.9 | Low | 91 Ų | 91 | 118.4 Ų | 118.4 | 75% | 0.752 | 79% | 0.787 | S | S | * | * | | | trans | -115.7 | 87.4 | 152.1 | 0 | 0 | 0 | 0 | 0 | 106.5 | S26 T30 | S26-A28 PolarHBondContact O-N 3.11Å; A28-T30 PolarHBondContact O-N 3.05Å |
| 29 | G | 47.2 | Very low | 52 | Low | 72 Ų | 72 | 119.1 Ų | 119.1 | 74% | 0.742 | 78% | 0.783 | S | S | * | * | | | trans | -53.9 | 110 | 177.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 30 | T | 49.5 | Very low | 52.3 | Low | 130 Ų | 130 | 121 Ų | 121 | 80% | 0.798 | 78% | 0.784 | S | S | * | * | | | trans | -92.9 | 113.2 | 163.1 | -58 | 0 | 0 | 0 | 0 | 106.9 | A28 | A28-T30 PolarHBondContact O-N 3.05Š|
| 31 | V | 48.6 | Very low | 52.7 | Low | 110 Ų | 110 | 118.8 Ų | 118.8 | 67% | 0.667 | 78% | 0.776 | S | S | * | * | | | trans | -46 | 129.4 | 176 | -123.6 | 0 | 0 | 0 | 0 | 110.7 | G33 | V31-G33 PolarHBondContact O-N 3.35Š|
| 32 | P | 49.1 | Very low | 53.2 | Low | 137 Ų | 137 | 115.1 Ų | 115.1 | 89% | 0.89 | 76% | 0.761 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.1 | 97.4 | 171.4 | 29.7 | -28.7 | 0 | 0 | 0 | 107.5 | | |
| 33 | G | 52.1 | Low | 54.1 | Low | 67 Ų | 67 | 116.9 Ų | 116.9 | 69% | 0.691 | 75% | 0.752 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 158.4 | 1.1 | 178 | 0 | 0 | 0 | 0 | 0 | 117.4 | V31 | V31-G33 PolarHBondContact O-N 3.35Š|
| 34 | T | 47.8 | Very low | 55.5 | Low | 117 Ų | 117 | 113.9 Ų | 113.9 | 72% | 0.718 | 74% | 0.739 | S | S | * | * | | | trans | -99.9 | 96.2 | 162.9 | -49.6 | 0 | 0 | 0 | 0 | 107.5 | A36 | T34-A36 PolarHBondContact O-N 3.12Š|
| 35 | E | 56.4 | Low | 56.4 | Low | 183 Ų | 183 | 114.1 Ų | 114.1 | 86% | 0.855 | 72% | 0.722 | S | S | * | * | | | trans | -49 | 82 | 149 | 45 | -169.8 | 102.7 | 0 | 0 | 108.1 | S37 | E35-S37 PolarHBondContact O-N 3.14Š|
| 36 | A | 46.8 | Very low | 57.8 | Low | 86 Ų | 86 | 123.8 Ų | 123.8 | 71% | 0.711 | 74% | 0.738 | S | S | * | * | | | trans | -59.5 | 92.2 | 152.3 | 0 | 0 | 0 | 0 | 0 | 102.9 | T34 G38 | T34-A36 PolarHBondContact O-N 3.12Å; A36-G38 PolarHBondContact O-N 3.26Å |
| 37 | S | 55.8 | Low | 59.6 | Low | 103 Ų | 103 | 122.8 Ų | 122.8 | 72% | 0.72 | 72% | 0.723 | S | S | * | * | | | trans | -49.7 | 92.5 | 155.8 | -178.5 | 0 | 0 | 0 | 0 | 103.9 | E35 F39 | E35-S37 PolarHBondContact O-N 3.14Å; S37-F39 PolarHBondContact O-N 3.38Å |
| 38 | G | 53.2 | Low | 60.6 | Low | 70 Ų | 70 | 119.3 Ų | 119.3 | 72% | 0.722 | 71% | 0.707 | S | S | * | * | | | trans | -70.6 | 62.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 106 | A36 D40 | A36-G38 PolarHBondContact O-N 3.26Å; G38-D40 PolarHBondContact O-N 3.15Å |
| 39 | F | 52.3 | Low | 61.5 | Low | 177 Ų | 177 | 119.9 Ų | 119.9 | 78% | 0.776 | 70% | 0.697 | S | S | * | * | | | trans | -61.5 | 97 | 163 | -170 | -90.8 | 0 | 0 | 0 | 103.9 | S37 A41 | S37-F39 PolarHBondContact O-N 3.38Å; F39-A41 VanDerWaalsContact C-N 3.31Å; F39-A41 PolarHBondContact O-N 3.08Å |
| 40 | D | 61.9 | Low | 62.7 | Low | 149 Ų | 149 | 119.8 Ų | 119.8 | 80% | 0.797 | 68% | 0.684 | S | S | * | * | | | trans | -45.8 | 93.6 | -171.9 | -151.3 | -5.5 | 0 | 0 | 0 | 108.6 | G38 P42 | G38-D40 PolarHBondContact O-N 3.15Å; D40-P42 WeakPolarHBondContact O-CD 3.11Å |
| 41 | A | 62.2 | Low | 63.7 | Low | 74 Ų | 74 | 114.6 Ų | 114.6 | 61% | 0.612 | 65% | 0.653 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 122.3 | -174.8 | 0 | 0 | 0 | 0 | 0 | 106.1 | F39 R43 | F39-A41 VanDerWaalsContact C-N 3.31Å; F39-A41 PolarHBondContact O-N 3.08Å; A41-R43 PolarHBondContact O-N 3.46Å |
| 42 | P | 65.8 | Low | 64.6 | Low | 76 Ų | 76 | 114.6 Ų | 114.6 | 49% | 0.494 | 66% | 0.656 | S | S | . | * | P | Polyproline II helix | trans | -56.4 | 122.8 | -175.8 | 17.6 | -27.9 | 0 | 0 | 0 | 108.2 | D40 M44 P50 | D40-P42 WeakPolarHBondContact O-CD 3.11Å; P42-M44 HydrophobicContact CG-CE 4.04Å; P42-M44 PolarHBondContact O-N 3.11Å; P42-M44 VanDerWaalsContact O-N 3.13Å; P42-P50 HydrophobicContact CB-CB 4.49Å |
| 43 | R | 73.1 | Confident | 65.4 | Low | 177 Ų | 177 | 114.8 Ų | 114.8 | 67% | 0.668 | 65% | 0.645 | S | S | * | * | P | Polyproline II helix | trans | -52.1 | 125.5 | 179.7 | -75.3 | -160.2 | 167.5 | 105.3 | 5.7 | 108.1 | A41 S51 | A41-R43 PolarHBondContact O-N 3.46Å; R43-S51 VanDerWaalsContact O-CA 3.3Å; R43-S51 WeakPolarHBondContact O-CA 3.44Å; R43-S51 WeakPolarHBondContact O-CB 3.48Å; R43-S51 PolarHBondContact O-N 2.98Å |
| 44 | M | 78.8 | Confident | 66.1 | Low | 115 Ų | 115 | 115.4 Ų | 115.4 | 57% | 0.567 | 63% | 0.632 | S | S | * | * | B | Isolated β-bridge | trans | -93.1 | 139.4 | 179.7 | -68.2 | -67.4 | 169.8 | 0 | 0 | 110.2 | P42 P50 | P42-M44 HydrophobicContact CG-CE 4.04Å; P42-M44 PolarHBondContact O-N 3.11Å; P42-M44 VanDerWaalsContact O-N 3.13Å; M44-P50 HydrophobicContact CE-CB 4.49Å; M44-P50 HydrophobicContact SD-CB 4.29Å |
| 45 | R | 75.9 | Confident | 67.2 | Low | 144 Ų | 144 | 116.4 Ų | 116.4 | 54% | 0.543 | 63% | 0.629 | S | S | . | * | P | Polyproline II helix | trans | -73.8 | 162.9 | 170.7 | -63.1 | 179.5 | 78.5 | 112.6 | 0.2 | 109.7 | N47 G48 L49 | R45-N47 WeakPolarHBondContact CB-OD1 3.32Å; R45-N47 PolarHBondContact O-N 2.87Å; R45-G48 PolarHBondContact O-N 3.24Å; R45-L49 WeakPolarHBondContact CB-O 3.48Å; R45-L49 PolarHBondContact N-O 3.08Å |
| 46 | R | 80.6 | Confident | 67.6 | Low | 267 Ų | 267 | 117.8 Ų | 117.8 | 100% | 1.008 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.3 | -19.6 | 176.8 | -92.4 | -170.6 | -76.5 | 142.5 | -5.8 | 114.8 | G48 | R46-G48 VanDerWaalsContact C-N 3.35Š|
| 47 | N | 81.3 | Confident | 68.6 | Low | 105 Ų | 105 | 115.9 Ų | 115.9 | 56% | 0.561 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.3 | 8.1 | 175.8 | 65.8 | -7.8 | 0 | 0 | 0 | 113.5 | R45 L49 | R45-N47 WeakPolarHBondContact CB-OD1 3.32Å; R45-N47 PolarHBondContact O-N 2.87Å; N47-L49 VanDerWaalsContact C-N 3.28Å; N47-L49 PolarHBondContact O-N 3.3Å; N47-L49 PolarHBondContact OD1-N 3.48Å |
| 48 | G | 77.6 | Confident | 69.1 | Low | 55 Ų | 55 | 114.5 Ų | 114.5 | 57% | 0.567 | 60% | 0.597 | S | S | * | * | S | Bend | trans | 78.1 | 5.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | R45 R46 | R45-G48 PolarHBondContact O-N 3.24Å; R46-G48 VanDerWaalsContact C-N 3.35Å |
| 49 | L | 74.8 | Confident | 69.8 | Low | 103 Ų | 103 | 113.9 Ų | 113.9 | 54% | 0.539 | 58% | 0.577 | S | S | . | * | S | Bend | trans | -88.9 | 149 | 174.2 | -64 | -179.6 | 0 | 0 | 0 | 111.1 | R45 N47 S51 | R45-L49 WeakPolarHBondContact CB-O 3.48Å; R45-L49 PolarHBondContact N-O 3.08Å; N47-L49 VanDerWaalsContact C-N 3.28Å; N47-L49 PolarHBondContact O-N 3.3Å; N47-L49 PolarHBondContact OD1-N 3.48Å; L49-S51 PolarHBondContact O-N 2.84Å |
| 50 | P | 73.7 | Confident | 70.5 | Confident | 71 Ų | 71 | 109.5 Ų | 109.5 | 46% | 0.461 | 56% | 0.564 | S | S | . | * | B | Isolated β-bridge | trans | -59 | 131.9 | 174 | 25.3 | -33.5 | 0 | 0 | 0 | 110.1 | P42 M44 C52 | P42-P50 HydrophobicContact CB-CB 4.49Å; M44-P50 HydrophobicContact CE-CB 4.49Å; M44-P50 HydrophobicContact SD-CB 4.29Å; P50-C52 PolarHBondContact O-N 3.25Å |
| 51 | S | 70.2 | Confident | 70.8 | Confident | 20 Ų | 20 | 108.9 Ų | 108.9 | 14% | 0.14 | 55% | 0.551 | C | S | . | * | | | trans | -80.3 | 112.1 | 174.2 | -163.6 | 0 | 0 | 0 | 0 | 108.3 | R43 L49 E53 | R43-S51 VanDerWaalsContact O-CA 3.3Å; R43-S51 WeakPolarHBondContact O-CA 3.44Å; R43-S51 WeakPolarHBondContact O-CB 3.48Å; R43-S51 PolarHBondContact O-N 2.98Å; L49-S51 PolarHBondContact O-N 2.84Å; S51-E53 PolarHBondContact O-N 3.44Å; S51-E53 WeakPolarHBondContact OG-CG 3.37Å |
| 52 | C | 67.4 | Low | 70.9 | Confident | 110 Ų | 110 | 109.4 Ų | 109.4 | 74% | 0.743 | 54% | 0.541 | S | S | * | . | | | trans | -78.2 | 34.2 | 174 | -53.9 | 0 | 0 | 0 | 0 | 112.3 | P50 L54 | P50-C52 PolarHBondContact O-N 3.25Å; C52-L54 PolarHBondContact O-N 3.35Å |
| 53 | E | 66.9 | Low | 71 | Confident | 142 Ų | 142 | 109.2 Ų | 109.2 | 66% | 0.664 | 54% | 0.542 | S | S | * | . | | | trans | -69.9 | 82.9 | 175.5 | -82.3 | 177.2 | -159.1 | 0 | 0 | 109.4 | S51 Q55 | S51-E53 PolarHBondContact O-N 3.44Å; S51-E53 WeakPolarHBondContact OG-CG 3.37Å; E53-Q55 PolarHBondContact O-N 3.18Å |
| 54 | L | 66.4 | Low | 70.4 | Confident | 79 Ų | 79 | 106.2 Ų | 106.2 | 41% | 0.414 | 54% | 0.539 | S | S | . | . | | | trans | -71.7 | 122.5 | 171.3 | -61.2 | 175.5 | 0 | 0 | 0 | 107.9 | C52 E58 I59 M62 | C52-L54 PolarHBondContact O-N 3.35Å; L54-E58 HydrophobicContact CD2-CG 4.25Å; L54-I59 HydrophobicContact CB-CD1 3.99Å; L54-I59 HydrophobicContact CB-CG1 3.52Å; L54-I59 HydrophobicContact CD1-CG1 4.05Å; L54-I59 HydrophobicContact CG-CG1 4.45Å; L54-M62 HydrophobicContact CD1-CE 3.97Å |
| 55 | Q | 70.5 | Confident | 69.5 | Low | 139 Ų | 139 | 108.3 Ų | 108.3 | 65% | 0.65 | 54% | 0.541 | S | S | * | . | | | trans | -61.1 | 143.7 | 167 | -68.4 | -171 | -26.4 | 0 | 0 | 109 | E53 G57 E58 I59 | E53-Q55 PolarHBondContact O-N 3.18Å; Q55-G57 PolarHBondContact O-N 2.76Å; Q55-E58 WeakPolarHBondContact O-CA 3.39Å; Q55-E58 WeakPolarHBondContact O-CB 3.3Å; Q55-E58 PolarHBondContact O-N 2.76Å; Q55-I59 PolarHBondContact O-N 3.15Å; Q55-I59 VanDerWaalsContact O-N 3.15Å |
| 56 | W | 64.3 | Low | 68.5 | Low | 212 Ų | 212 | 106.6 Ų | 106.6 | 80% | 0.803 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -50 | -35.9 | 179.4 | -75.7 | 109 | 0 | 0 | 0 | 113.1 | E58 I59 V60 | W56-E58 VanDerWaalsContact C-N 3.33Å; W56-E58 PolarHBondContact O-N 2.67Å; W56-I59 HydrophobicContact CE3-CD1 4.1Å; W56-I59 HydrophobicContact CZ3-CD1 4.41Å; W56-I59 PolarHBondContact O-N 3.39Å; W56-V60 VanDerWaalsContact O-CG2 3.28Å; W56-V60 WeakPolarHBondContact O-CG2 3.46Å; W56-V60 PolarHBondContact O-N 3.03Å |
| 57 | G | 68.3 | Low | 67.3 | Low | 45 Ų | 45 | 97.2 Ų | 97.2 | 46% | 0.464 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -66.7 | -26.6 | 175 | 0 | 0 | 0 | 0 | 0 | 114.9 | Q55 R61 | Q55-G57 PolarHBondContact O-N 2.76Å; G57-R61 WeakPolarHBondContact O-CB 3.4Å; G57-R61 VanDerWaalsContact O-CG 3.3Å; G57-R61 WeakPolarHBondContact O-CG 3.39Å; G57-R61 PolarHBondContact O-N 2.99Å; G57-R61 PolarHBondContact O-NE 2.71Å |
| 58 | E | 65.4 | Low | 66.1 | Low | 75 Ų | 75 | 99.9 Ų | 99.9 | 35% | 0.35 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -79.8 | -38.8 | 173.9 | -170.8 | 138.1 | -152.9 | 0 | 0 | 112.3 | L54 Q55 W56 V60 R61 M62 | L54-E58 HydrophobicContact CD2-CG 4.25Å; Q55-E58 WeakPolarHBondContact O-CA 3.39Å; Q55-E58 WeakPolarHBondContact O-CB 3.3Å; Q55-E58 PolarHBondContact O-N 2.76Å; W56-E58 VanDerWaalsContact C-N 3.33Å; W56-E58 PolarHBondContact O-N 2.67Å; E58-V60 VanDerWaalsContact C-N 3.34Å; E58-V60 PolarHBondContact O-N 2.73Å; E58-R61 PolarHBondContact O-N 2.83Å; E58-R61 IonicContact OE1-NH2 3.78Å; E58-R61 IonicContact OE2-NH2 3.55Å; E58-M62 WeakPolarHBondContact O-CB 3.44Å; E58-M62 PolarHBondContact O-N 3.42Å |
| 59 | I | 68.8 | Low | 64.9 | Low | 57 Ų | 57 | 103.2 Ų | 103.2 | 29% | 0.292 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -57.6 | -49.3 | 171.2 | -58 | 177.3 | 0 | 0 | 0 | 109.6 | L54 Q55 W56 R61 M62 S63 | L54-I59 HydrophobicContact CB-CD1 3.99Å; L54-I59 HydrophobicContact CB-CG1 3.52Å; L54-I59 HydrophobicContact CD1-CG1 4.05Å; L54-I59 HydrophobicContact CG-CG1 4.45Å; Q55-I59 PolarHBondContact O-N 3.15Å; Q55-I59 VanDerWaalsContact O-N 3.15Å; W56-I59 HydrophobicContact CE3-CD1 4.1Å; W56-I59 HydrophobicContact CZ3-CD1 4.41Å; W56-I59 PolarHBondContact O-N 3.39Å; I59-R61 PolarHBondContact O-N 2.78Å; I59-M62 PolarHBondContact O-N 3.39Å; I59-S63 WeakPolarHBondContact O-CB 3.28Å; I59-S63 PolarHBondContact O-N 3.3Å; I59-S63 PolarHBondContact O-OG 2.67Å; I59-S63 VanDerWaalsContact O-OG 3.08Å |
| 60 | V | 66.7 | Low | 63.7 | Low | 84 Ų | 84 | 102.9 Ų | 102.9 | 51% | 0.509 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -62.4 | -41.4 | 178.9 | 171.7 | 0 | 0 | 0 | 0 | 112 | W56 E58 N64 | W56-V60 VanDerWaalsContact O-CG2 3.28Å; W56-V60 WeakPolarHBondContact O-CG2 3.46Å; W56-V60 PolarHBondContact O-N 3.03Å; E58-V60 VanDerWaalsContact C-N 3.34Å; E58-V60 PolarHBondContact O-N 2.73Å; V60-N64 WeakPolarHBondContact O-CB 2.95Å; V60-N64 PolarHBondContact O-N 3.13Å; V60-N64 PolarHBondContact O-ND2 3.33Å |
| 61 | R | 67.6 | Low | 62.6 | Low | 136 Ų | 136 | 107.8 Ų | 107.8 | 51% | 0.513 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -65.1 | -38.7 | 175.5 | -81.2 | -177.4 | -62.5 | 145.3 | 3.9 | 112.6 | G57 E58 I59 R65 | G57-R61 WeakPolarHBondContact O-CB 3.4Å; G57-R61 VanDerWaalsContact O-CG 3.3Å; G57-R61 WeakPolarHBondContact O-CG 3.39Å; G57-R61 PolarHBondContact O-N 2.99Å; G57-R61 PolarHBondContact O-NE 2.71Å; E58-R61 PolarHBondContact O-N 2.83Å; E58-R61 IonicContact OE1-NH2 3.78Å; E58-R61 IonicContact OE2-NH2 3.55Å; I59-R61 PolarHBondContact O-N 2.78Å; R61-R65 WeakPolarHBondContact O-CG 3.15Å; R61-R65 PolarHBondContact O-N 2.81Å; R61-R65 VanDerWaalsContact O-N 3.11Å |
| 62 | M | 65.6 | Low | 61.7 | Low | 85 Ų | 85 | 114.3 Ų | 114.3 | 42% | 0.419 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -73.8 | -39.5 | 179.1 | -166.2 | 161.1 | 66.9 | 0 | 0 | 111.5 | L54 E58 I59 N64 R65 N66 | L54-M62 HydrophobicContact CD1-CE 3.97Å; E58-M62 WeakPolarHBondContact O-CB 3.44Å; E58-M62 PolarHBondContact O-N 3.42Å; I59-M62 PolarHBondContact O-N 3.39Å; M62-N64 VanDerWaalsContact C-N 3.32Å; M62-N64 PolarHBondContact O-N 3.44Å; M62-R65 WeakPolarHBondContact O-CB 3.47Å; M62-R65 PolarHBondContact O-N 3.04Å; M62-R65 VanDerWaalsContact O-N 3.15Å; M62-N66 PolarHBondContact O-N 3.42Å; M62-N66 VanDerWaalsContact O-N 3.08Å |
| 63 | S | 66.7 | Low | 61.1 | Low | 73 Ų | 73 | 113 Ų | 113 | 51% | 0.51 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -61.1 | -39.7 | 171.8 | -65.5 | 0 | 0 | 0 | 0 | 112.1 | I59 N66 A67 | I59-S63 WeakPolarHBondContact O-CB 3.28Å; I59-S63 PolarHBondContact O-N 3.3Å; I59-S63 PolarHBondContact O-OG 2.67Å; I59-S63 VanDerWaalsContact O-OG 3.08Å; S63-N66 CarbonylContact O-C 3.58Å; S63-N66 PolarHBondContact O-N 3.02Å; S63-A67 PolarHBondContact O-N 3.04Å; S63-A67 VanDerWaalsContact O-N 3.12Å |
| 64 | N | 60.6 | Low | 60.4 | Low | 113 Ų | 113 | 117.2 Ų | 117.2 | 60% | 0.604 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -65.4 | -37.2 | 172.9 | -100.6 | -77 | 0 | 0 | 0 | 112.7 | V60 M62 N66 A67 | V60-N64 WeakPolarHBondContact O-CB 2.95Å; V60-N64 PolarHBondContact O-N 3.13Å; V60-N64 PolarHBondContact O-ND2 3.33Å; M62-N64 VanDerWaalsContact C-N 3.32Å; M62-N64 PolarHBondContact O-N 3.44Å; N64-N66 PolarHBondContact O-N 2.8Å; N64-A67 WeakPolarHBondContact O-CB 3.3Å; N64-A67 PolarHBondContact O-N 2.88Å; N64-A67 VanDerWaalsContact O-N 3.14Å |
| 65 | R | 60.6 | Low | 59.9 | Low | 160 Ų | 160 | 117.9 Ų | 117.9 | 60% | 0.604 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -63.9 | -30.5 | 174.6 | -78.6 | -175.6 | -90.9 | 178.2 | -4.3 | 112.7 | R61 M62 | R61-R65 WeakPolarHBondContact O-CG 3.15Å; R61-R65 PolarHBondContact O-N 2.81Å; R61-R65 VanDerWaalsContact O-N 3.11Å; M62-R65 WeakPolarHBondContact O-CB 3.47Å; M62-R65 PolarHBondContact O-N 3.04Å; M62-R65 VanDerWaalsContact O-N 3.15Å |
| 66 | N | 55.6 | Low | 59 | Low | 107 Ų | 107 | 117.3 Ų | 117.3 | 57% | 0.572 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.3 | -1.8 | 174.8 | -71.8 | -31.7 | 0 | 0 | 0 | 114.2 | M62 S63 N64 L68 I69 | M62-N66 PolarHBondContact O-N 3.42Å; M62-N66 VanDerWaalsContact O-N 3.08Å; S63-N66 CarbonylContact O-C 3.58Å; S63-N66 PolarHBondContact O-N 3.02Å; N64-N66 PolarHBondContact O-N 2.8Å; N66-L68 PolarHBondContact O-N 3.02Å; N66-L68 VanDerWaalsContact O-N 3.11Å; N66-I69 PolarHBondContact O-N 2.99Å |
| 67 | A | 55.5 | Low | 58.8 | Low | 71 Ų | 71 | 115.3 Ų | 115.3 | 59% | 0.587 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.5 | 2.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | S63 N64 I69 | S63-A67 PolarHBondContact O-N 3.04Å; S63-A67 VanDerWaalsContact O-N 3.12Å; N64-A67 WeakPolarHBondContact O-CB 3.3Å; N64-A67 PolarHBondContact O-N 2.88Å; N64-A67 VanDerWaalsContact O-N 3.14Å; A67-I69 VanDerWaalsContact C-N 3.34Å |
| 68 | L | 54.3 | Low | 57.9 | Low | 161 Ų | 161 | 119.6 Ų | 119.6 | 84% | 0.843 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.7 | 14.5 | 171.2 | -73.5 | 172.6 | 0 | 0 | 0 | 113.8 | N66 P70 | N66-L68 PolarHBondContact O-N 3.02Å; N66-L68 VanDerWaalsContact O-N 3.11Å; L68-P70 WeakPolarHBondContact O-CD 3.49Å |
| 69 | I | 54.1 | Low | 57 | Low | 125 Ų | 125 | 127 Ų | 127 | 64% | 0.641 | 66% | 0.658 | S | S | * | * | S | Bend | trans | -82.8 | 106.7 | 161.9 | -55 | 177 | 0 | 0 | 0 | 106.4 | N66 A67 I71 | N66-I69 PolarHBondContact O-N 2.99Å; A67-I69 VanDerWaalsContact C-N 3.34Å; I69-I71 PolarHBondContact O-N 3.44Å |
| 70 | P | 48.1 | Very low | 56.4 | Low | 95 Ų | 95 | 130.5 Ų | 130.5 | 62% | 0.617 | 68% | 0.676 | S | S | * | * | | | trans | -58.8 | 119.9 | 172.9 | 25.2 | -32.6 | 0 | 0 | 0 | 107.7 | L68 H72 | L68-P70 WeakPolarHBondContact O-CD 3.49Å; P70-H72 PolarHBondContact O-N 3.29Å |
| 71 | I | 52.1 | Low | 55.9 | Low | 174 Ų | 174 | 132.9 Ų | 132.9 | 89% | 0.892 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -71.7 | 59.2 | 171.1 | -48.9 | 174.4 | 0 | 0 | 0 | 108.1 | I69 | I69-I71 PolarHBondContact O-N 3.44Š|
| 72 | H | 49.9 | Very low | 55.2 | Low | 158 Ų | 158 | 132.8 Ų | 132.8 | 73% | 0.731 | 69% | 0.694 | S | S | * | * | | | trans | -128.1 | 15.6 | 175.7 | -100.2 | -70.5 | 0 | 0 | 0 | 111.7 | P70 | P70-H72 PolarHBondContact O-N 3.29Š|
| 73 | A | 55 | Low | 54.6 | Low | 83 Ų | 83 | 135.6 Ų | 135.6 | 69% | 0.686 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -98.5 | 11.2 | -179 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 74 | Y | 52.4 | Low | 53.9 | Low | 229 Ų | 229 | 139.5 Ų | 139.5 | 90% | 0.898 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -134.5 | 37.2 | 176.5 | -84.2 | -76.9 | 0 | 0 | 0 | 113.8 | | |
| 75 | T | 55 | Low | 53.4 | Low | 94 Ų | 94 | 141.3 Ų | 141.3 | 58% | 0.577 | 73% | 0.731 | S | S | * | * | | | trans | -117.6 | 69.1 | 156.4 | 57.7 | 0 | 0 | 0 | 0 | 108.7 | K77 | T75-K77 PolarHBondContact O-N 3.46Š|
| 76 | D | 51.7 | Low | 52.9 | Low | 126 Ų | 126 | 139.9 Ų | 139.9 | 67% | 0.674 | 74% | 0.74 | S | S | * | * | | | trans | -67.7 | 89.1 | 152.1 | -170.2 | -2.6 | 0 | 0 | 0 | 106.5 | N78 | D76-N78 PolarHBondContact O-N 3.5Å; D76-N78 PolarHBondContact OD1-N 3.4Å; D76-N78 PolarHBondContact OD1-ND2 3.34Å; D76-N78 PolarHBondContact OD2-ND2 2.74Å |
| 77 | K | 60.3 | Low | 52.7 | Low | 171 Ų | 171 | 142.5 Ų | 142.5 | 74% | 0.743 | 75% | 0.753 | S | S | * | * | | | trans | -75.2 | 83.1 | 165 | -66.2 | -175.5 | -178.4 | -178.7 | 0 | 105.9 | T75 I79 | T75-K77 PolarHBondContact O-N 3.46Å; K77-I79 PolarHBondContact O-N 3.18Å |
| 78 | N | 49.7 | Very low | 52.5 | Low | 135 Ų | 135 | 148.4 Ų | 148.4 | 72% | 0.722 | 77% | 0.767 | S | S | * | * | | | trans | -63.2 | 108.8 | 162.9 | -83.5 | -62.8 | 0 | 0 | 0 | 107.7 | D76 | D76-N78 PolarHBondContact O-N 3.5Å; D76-N78 PolarHBondContact OD1-N 3.4Å; D76-N78 PolarHBondContact OD1-ND2 3.34Å; D76-N78 PolarHBondContact OD2-ND2 2.74Å |
| 79 | I | 47.4 | Very low | 52.3 | Low | 230 Ų | 230 | 147.3 Ų | 147.3 | 100% | 1.179 | 76% | 0.76 | S | S | * | * | | | trans | -73 | 0 | 165.4 | -67.1 | 168.1 | 0 | 0 | 0 | 108.3 | K77 | K77-I79 PolarHBondContact O-N 3.18Š|