| 1 | S | 44.3 | Very low | 47.8 | Very low | 177 Ų | 177 | 123.7 Ų | 123.7 | 100% | 1.238 | 85% | 0.851 | S | S | * | * | | | | 0 | 110.5 | 0 | 29.4 | 0 | 0 | 0 | 0 | 108.1 | | |
| 2 | G | 42.4 | Very low | 48.1 | Very low | 78 Ų | 78 | 118.6 Ų | 118.6 | 80% | 0.804 | 83% | 0.833 | S | S | * | * | | | trans | -83.8 | 168 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 3 | G | 39.9 | Very low | 48.3 | Very low | 79 Ų | 79 | 127.9 Ų | 127.9 | 81% | 0.814 | 84% | 0.841 | S | S | * | * | | | trans | 178 | 70.8 | 176 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 4 | Y | 49.3 | Very low | 48.2 | Very low | 217 Ų | 217 | 123.5 Ų | 123.5 | 85% | 0.851 | 83% | 0.83 | S | S | * | * | | | trans | -76.8 | 156.8 | 171.2 | 43.9 | -89.8 | 0 | 0 | 0 | 110.8 | | |
| 5 | G | 44.7 | Very low | 48.7 | Very low | 81 Ų | 81 | 119.6 Ų | 119.6 | 84% | 0.835 | 82% | 0.819 | S | S | * | * | | | trans | 101.8 | 105.5 | 139.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 6 | G | 45.7 | Very low | 49.6 | Very low | 60 Ų | 60 | 121.6 Ų | 121.6 | 62% | 0.619 | 82% | 0.819 | S | S | * | * | | | trans | -174.9 | 82.8 | 131.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 7 | D | 58.3 | Low | 49.8 | Very low | 142 Ų | 142 | 129.2 Ų | 129.2 | 76% | 0.759 | 83% | 0.826 | S | S | * | * | | | | 61.1 | 83 | 105.9 | 77.1 | -91.6 | 0 | 0 | 0 | 112.5 | | |
| 8 | R | 61.1 | Low | 49.7 | Very low | 242 Ų | 242 | 126.3 Ų | 126.3 | 91% | 0.913 | 83% | 0.825 | S | S | * | * | | | | 23.9 | 109 | 111.6 | -56.3 | -170.2 | -156.3 | 171.6 | 6.6 | 114.2 | | |
| 9 | S | 51.8 | Low | 49.6 | Very low | 125 Ų | 125 | 124.3 Ų | 124.3 | 87% | 0.874 | 83% | 0.829 | S | S | * | * | | | trans | -170.3 | 134.7 | 143.4 | -89.1 | 0 | 0 | 0 | 0 | 114 | | |
| 10 | G | 45.7 | Very low | 49.4 | Very low | 83 Ų | 83 | 121.6 Ų | 121.6 | 86% | 0.856 | 82% | 0.823 | S | S | * | * | | | trans | 87 | 111.2 | 159.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 11 | G | 43 | Very low | 49.4 | Very low | 77 Ų | 77 | 126.5 Ų | 126.5 | 79% | 0.794 | 83% | 0.826 | S | S | * | * | | | cis | 120.5 | 117.1 | 42.5 | 0 | 0 | 0 | 0 | 0 | 105.5 | | |
| 12 | G | 50.6 | Low | 49.5 | Very low | 62 Ų | 62 | 121.9 Ų | 121.9 | 64% | 0.639 | 81% | 0.807 | S | S | * | * | | | trans | -68.5 | -178.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 13 | Y | 51.3 | Low | 49.5 | Very low | 240 Ų | 240 | 121.4 Ų | 121.4 | 94% | 0.941 | 80% | 0.801 | S | S | * | * | | | trans | 73.9 | 136.1 | 164.7 | 76.8 | -99.2 | 0 | 0 | 0 | 119.8 | | |
| 14 | G | 46.4 | Very low | 50.6 | Low | 66 Ų | 66 | 124.8 Ų | 124.8 | 68% | 0.68 | 80% | 0.801 | S | S | * | * | | | trans | 110.9 | 80.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 15 | G | 56.2 | Low | 50.8 | Low | 65 Ų | 65 | 126.2 Ų | 126.2 | 67% | 0.67 | 81% | 0.805 | S | S | * | * | | | | 74.6 | 150.7 | 54.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 16 | D | 62.5 | Low | 51 | Low | 152 Ų | 152 | 126.5 Ų | 126.5 | 81% | 0.813 | 81% | 0.808 | S | S | * | * | | | trans | 87 | 40.7 | 158.5 | -25.2 | -49.6 | 0 | 0 | 0 | 119.2 | | |
| 17 | R | 52.8 | Low | 50.8 | Low | 250 Ų | 250 | 126.6 Ų | 126.6 | 94% | 0.943 | 81% | 0.809 | S | S | * | * | S | Bend | trans | -138.4 | 84 | 141.7 | -68.5 | -164.4 | -172.4 | 161.3 | 6.5 | 111.9 | | |
| 18 | G | 48.3 | Very low | 50.2 | Low | 78 Ų | 78 | 129.5 Ų | 129.5 | 80% | 0.804 | 81% | 0.811 | S | S | * | * | | | trans | 46.6 | 106.6 | 152.7 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 19 | G | 47.6 | Very low | 49.2 | Very low | 88 Ų | 88 | 121.3 Ų | 121.3 | 91% | 0.907 | 80% | 0.802 | S | S | * | * | | | | 85.6 | 85.6 | 62.3 | 0 | 0 | 0 | 0 | 0 | 109 | | |
| 20 | G | 45.5 | Very low | 48.8 | Very low | 69 Ų | 69 | 119 Ų | 119 | 71% | 0.711 | 80% | 0.798 | S | S | * | * | | | trans | -174.7 | 74.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 21 | Y | 50.3 | Low | 48.9 | Very low | 226 Ų | 226 | 123.2 Ų | 123.2 | 89% | 0.886 | 79% | 0.793 | S | S | * | * | | | trans | -50.6 | 147 | 169.3 | 47 | -87.4 | 0 | 0 | 0 | 111.6 | | |
| 22 | G | 46 | Very low | 49.2 | Very low | 80 Ų | 80 | 129.1 Ų | 129.1 | 83% | 0.825 | 80% | 0.802 | S | S | * | * | | | trans | 104.8 | 104.9 | 152.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 23 | G | 42.9 | Very low | 48.7 | Very low | 67 Ų | 67 | 129.8 Ų | 129.8 | 69% | 0.691 | 81% | 0.809 | S | S | * | * | | | trans | 158.5 | 42.4 | 157.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | R25 | G23-R25 VanDerWaalsContact O-N 3.14Å; G23-R25 PolarHBondContact O-N 3.41Å |
| 24 | D | 62.2 | Low | 48.2 | Very low | 151 Ų | 151 | 121.8 Ų | 121.8 | 81% | 0.807 | 80% | 0.799 | S | S | * | * | | | trans | -42.5 | 123.1 | 151.5 | -58.7 | -96.3 | 0 | 0 | 0 | 109.3 | | |
| 25 | R | 52.9 | Low | 48.3 | Very low | 246 Ų | 246 | 130.2 Ų | 130.2 | 93% | 0.928 | 81% | 0.81 | S | S | * | * | S | Bend | trans | 99.6 | 108.8 | 167.3 | -53 | 168.6 | -164.6 | 162 | 5 | 116.7 | G23 | G23-R25 VanDerWaalsContact O-N 3.14Å; G23-R25 PolarHBondContact O-N 3.41Å |
| 26 | G | 50.1 | Low | 48.2 | Very low | 88 Ų | 88 | 132.8 Ų | 132.8 | 91% | 0.907 | 82% | 0.818 | S | S | * | * | | | trans | 117.8 | 107 | 143.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 27 | G | 41.3 | Very low | 47.4 | Very low | 62 Ų | 62 | 129.1 Ų | 129.1 | 64% | 0.639 | 81% | 0.805 | S | S | * | * | | | trans | 175.3 | 76 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | G29 | G27-G29 VanDerWaalsContact O-N 3.14Å; G27-G29 PolarHBondContact O-N 3.17Å |
| 28 | Y | 45.8 | Very low | 47.1 | Very low | 202 Ų | 202 | 118.1 Ų | 118.1 | 79% | 0.792 | 77% | 0.766 | S | S | * | * | | | trans | -27.9 | 114.8 | 163.6 | 49 | -84.2 | 0 | 0 | 0 | 111.7 | | |
| 29 | G | 39.8 | Very low | 47.1 | Very low | 71 Ų | 71 | 119.2 Ų | 119.2 | 73% | 0.732 | 76% | 0.761 | S | S | * | * | | | trans | -59.9 | 148.5 | 166.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | G27 | G27-G29 VanDerWaalsContact O-N 3.14Å; G27-G29 PolarHBondContact O-N 3.17Å |
| 30 | G | 44 | Very low | 47.1 | Very low | 76 Ų | 76 | 120.4 Ų | 120.4 | 78% | 0.784 | 76% | 0.755 | S | S | * | * | | | trans | 76.4 | 85 | 152.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 31 | K | 47.4 | Very low | 47.3 | Very low | 172 Ų | 172 | 126.7 Ų | 126.7 | 75% | 0.748 | 76% | 0.763 | S | S | * | * | | | trans | -159 | 88 | 133.6 | 50.9 | -165.4 | -180 | -162 | 0 | 109.5 | | |
| 32 | M | 49.4 | Very low | 47.1 | Very low | 201 Ų | 201 | 123.3 Ų | 123.3 | 99% | 0.99 | 75% | 0.749 | S | S | * | * | | | trans | -57.2 | 133.4 | 149.4 | -75.5 | 164.4 | 170.3 | 0 | 0 | 107.7 | | |
| 33 | G | 39.5 | Very low | 47.2 | Very low | 76 Ų | 76 | 123.8 Ų | 123.8 | 78% | 0.784 | 74% | 0.737 | S | S | * | * | | | trans | 137.5 | 111 | 164.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 34 | G | 40.7 | Very low | 47.6 | Very low | 72 Ų | 72 | 127.7 Ų | 127.7 | 74% | 0.742 | 73% | 0.731 | S | S | * | * | | | trans | 87.2 | 95.4 | 142.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 35 | R | 49.1 | Very low | 47.2 | Very low | 242 Ų | 242 | 122.7 Ų | 122.7 | 91% | 0.913 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -42.4 | 136.5 | 154.7 | -65.9 | 163.4 | 167.6 | -173.7 | -6.4 | 110.9 | | |
| 36 | S | 53.1 | Low | 46.9 | Very low | 120 Ų | 120 | 124.3 Ų | 124.3 | 84% | 0.839 | 71% | 0.713 | S | S | * | * | | | trans | 72.9 | 77 | 156 | -39.1 | 0 | 0 | 0 | 0 | 118.2 | | |
| 37 | S | 46.9 | Very low | 47 | Very low | 75 Ų | 75 | 125.8 Ų | 125.8 | 52% | 0.524 | 70% | 0.7 | S | S | . | * | S | Bend | trans | -159 | 86.5 | 155.9 | 48.3 | 0 | 0 | 0 | 0 | 112.5 | R44 | S37-R44 PolarHBondContact O-NH2 3.21Š|
| 38 | C | 45.3 | Very low | 47.4 | Very low | 18 Ų | 18 | 125 Ų | 125 | 12% | 0.122 | 69% | 0.692 | C | S | . | * | | | trans | 51.3 | 96 | 167.1 | -13.5 | 0 | 0 | 0 | 0 | 114.5 | S40 C50 | C38-S40 PolarHBondContact O-N 3.48Å; C38-C50 PolarHBondContact SG-SG 3.26Å; C38-C50 CovalentContact SG-SG 2.05Å; C38-C50 WeakPolarHBondContact SG-CB 3.11Å; C38-C50 VanDerWaalsContact SG-CA 3.51Å; C38-C50 PolarHBondContact N-SG 3.13Å; C38-C50 WeakPolarHBondContact CB-SG 3.13Å; C38-C50 HydrophobicContact CB-CB 3.98Å; C38-C50 VanDerWaalsContact CA-SG 3.56Å |
| 39 | S | 48.7 | Very low | 47.6 | Very low | 101 Ų | 101 | 117.4 Ų | 117.4 | 71% | 0.706 | 67% | 0.668 | S | S | * | * | | | trans | -45.9 | 130.4 | 167.9 | 179.4 | 0 | 0 | 0 | 0 | 109.5 | K41 R42 | S39-K41 PolarHBondContact O-N 3.2Å; S39-R42 PolarHBondContact O-N 3.13Å |
| 40 | S | 48.2 | Very low | 48.1 | Very low | 113 Ų | 113 | 117 Ų | 117 | 79% | 0.79 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.7 | 25 | -159.9 | -46.3 | 0 | 0 | 0 | 0 | 117.1 | C38 | C38-S40 PolarHBondContact O-N 3.48Š|
| 41 | K | 49.2 | Very low | 48.4 | Very low | 201 Ų | 201 | 114.1 Ų | 114.1 | 87% | 0.874 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -122.9 | 9.7 | 177.5 | -75.3 | 178.9 | 177.4 | 171.3 | 0 | 113.2 | S39 | S39-K41 PolarHBondContact O-N 3.2Š|
| 42 | R | 46.8 | Very low | 48.6 | Very low | 156 Ų | 156 | 108.8 Ų | 108.8 | 59% | 0.589 | 60% | 0.603 | S | S | * | * | S | Bend | trans | -113.6 | 140.1 | 173.6 | -61.6 | -171.4 | -156.7 | -99.4 | 3 | 111 | S39 R44 | S39-R42 PolarHBondContact O-N 3.13Å; R42-R44 PolarHBondContact O-N 2.99Å |
| 43 | P | 48.5 | Very low | 48.5 | Very low | 90 Ų | 90 | 102.6 Ų | 102.6 | 58% | 0.584 | 58% | 0.576 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 135.7 | 170.4 | -17.4 | 29.2 | 0 | 0 | 0 | 109.9 | | |
| 44 | R | 51.1 | Low | 48.9 | Very low | 148 Ų | 148 | 102.2 Ų | 102.2 | 56% | 0.558 | 56% | 0.559 | S | S | * | * | B | Isolated β-bridge | trans | -94 | 142.4 | 171.3 | -72.6 | -178 | 163.6 | 149.6 | -3.5 | 108.6 | S37 R42 | S37-R44 PolarHBondContact O-NH2 3.21Å; R42-R44 PolarHBondContact O-N 2.99Å |
| 45 | T | 52.8 | Low | 49 | Very low | 47 Ų | 47 | 102.6 Ų | 102.6 | 29% | 0.288 | 56% | 0.555 | S | S | . | * | P | Polyproline II helix | trans | -70.8 | 162.7 | 165.1 | 34.7 | 0 | 0 | 0 | 0 | 110.7 | D47 G48 S49 C51 | T45-D47 WeakPolarHBondContact CB-OD1 3.39Å; T45-D47 PolarHBondContact O-N 3.09Å; T45-D47 VanDerWaalsContact O-N 3.17Å; T45-D47 PolarHBondContact OG1-OD1 3.15Å; T45-G48 PolarHBondContact O-N 3.34Å; T45-S49 PolarHBondContact OG1-N 3.3Å; T45-S49 PolarHBondContact OG1-O 3.01Å; T45-S49 PolarHBondContact N-O 3.14Å; T45-C51 WeakPolarHBondContact CG2-SG 3.13Å |
| 46 | W | 47.8 | Very low | 48.8 | Very low | 279 Ų | 279 | 96.6 Ų | 96.6 | 100% | 1.057 | 55% | 0.545 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -23.3 | 179.3 | -85.8 | 66.4 | 0 | 0 | 0 | 113.7 | G48 | W46-G48 VanDerWaalsContact C-N 3.35Š|
| 47 | D | 51.2 | Low | 48.1 | Very low | 119 Ų | 119 | 95.2 Ų | 95.2 | 64% | 0.636 | 54% | 0.535 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.3 | -1.3 | 175.4 | 69.9 | -14 | 0 | 0 | 0 | 113.9 | T45 S49 | T45-D47 WeakPolarHBondContact CB-OD1 3.39Å; T45-D47 PolarHBondContact O-N 3.09Å; T45-D47 VanDerWaalsContact O-N 3.17Å; T45-D47 PolarHBondContact OG1-OD1 3.15Å; D47-S49 VanDerWaalsContact C-N 3.31Å; D47-S49 PolarHBondContact O-N 3.26Å; D47-S49 WeakPolarHBondContact OD1-CB 3.17Å; D47-S49 PolarHBondContact OD1-N 3.11Å |
| 48 | G | 50.2 | Low | 48 | Very low | 46 Ų | 46 | 98.3 Ų | 98.3 | 47% | 0.474 | 55% | 0.545 | S | S | . | . | S | Bend | trans | 79.1 | 7.6 | -178 | 0 | 0 | 0 | 0 | 0 | 115 | T45 W46 | T45-G48 PolarHBondContact O-N 3.34Å; W46-G48 VanDerWaalsContact C-N 3.35Å |
| 49 | S | 50.2 | Low | 47.9 | Very low | 43 Ų | 43 | 105.1 Ų | 105.1 | 30% | 0.301 | 58% | 0.579 | S | S | . | * | | | trans | -77.1 | 150.1 | 174.7 | -164.7 | 0 | 0 | 0 | 0 | 112.4 | T45 D47 C51 | T45-S49 PolarHBondContact OG1-N 3.3Å; T45-S49 PolarHBondContact OG1-O 3.01Å; T45-S49 PolarHBondContact N-O 3.14Å; D47-S49 VanDerWaalsContact C-N 3.31Å; D47-S49 PolarHBondContact O-N 3.26Å; D47-S49 WeakPolarHBondContact OD1-CB 3.17Å; D47-S49 PolarHBondContact OD1-N 3.11Å; S49-C51 PolarHBondContact O-N 3.14Å |
| 50 | C | 50.1 | Low | 47.7 | Very low | 62 Ų | 62 | 106.1 Ų | 106.1 | 42% | 0.419 | 58% | 0.577 | S | S | . | * | B | Isolated β-bridge | trans | -84.6 | 113.5 | -179.6 | -54.5 | 0 | 0 | 0 | 0 | 110.2 | C38 | C38-C50 PolarHBondContact SG-SG 3.26Å; C38-C50 CovalentContact SG-SG 2.05Å; C38-C50 WeakPolarHBondContact SG-CB 3.11Å; C38-C50 VanDerWaalsContact SG-CA 3.51Å; C38-C50 PolarHBondContact N-SG 3.13Å; C38-C50 WeakPolarHBondContact CB-SG 3.13Å; C38-C50 HydrophobicContact CB-CB 3.98Å; C38-C50 VanDerWaalsContact CA-SG 3.56Å |
| 51 | C | 49.3 | Very low | 47.3 | Very low | 15 Ų | 15 | 107.6 Ų | 107.6 | 10% | 0.101 | 58% | 0.575 | C | S | . | * | | | trans | -81.4 | 133.8 | 171.4 | -73.3 | 0 | 0 | 0 | 0 | 111.5 | T45 S49 | T45-C51 WeakPolarHBondContact CG2-SG 3.13Å; S49-C51 PolarHBondContact O-N 3.14Å |
| 52 | T | 51.7 | Low | 47 | Very low | 61 Ų | 61 | 104.1 Ų | 104.1 | 37% | 0.374 | 57% | 0.571 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -90.7 | 113.9 | 163.2 | 59.4 | 0 | 0 | 0 | 0 | 107.5 | V54 | T52-V54 VanDerWaalsContact C-N 3.35Å; T52-V54 PolarHBondContact O-N 2.91Å |
| 53 | V | 48.2 | Very low | 46.9 | Very low | 70 Ų | 70 | 106.1 Ų | 106.1 | 42% | 0.424 | 58% | 0.578 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -69.9 | 99.8 | 169.6 | -178.5 | 0 | 0 | 0 | 0 | 106.1 | A55 L71 | V53-A55 PolarHBondContact O-N 2.67Å; V53-L71 HydrophobicContact CG1-CD2 3.61Å |
| 54 | V | 47.8 | Very low | 46.2 | Very low | 69 Ų | 69 | 109.7 Ų | 109.7 | 42% | 0.418 | 59% | 0.587 | S | S | . | * | | | trans | -78.7 | 103 | 168.2 | -177.9 | 0 | 0 | 0 | 0 | 105.7 | T52 V56 M76 | T52-V54 VanDerWaalsContact C-N 3.35Å; T52-V54 PolarHBondContact O-N 2.91Å; V54-V56 VanDerWaalsContact C-N 3.27Å; V54-V56 HydrophobicContact CG1-CG2 4.28Å; V54-V56 PolarHBondContact O-N 2.87Å; V54-M76 HydrophobicContact CG2-CE 3.82Å |
| 55 | A | 42.8 | Very low | 45.7 | Very low | 79 Ų | 79 | 108.9 Ų | 108.9 | 65% | 0.653 | 60% | 0.601 | S | S | * | * | | | trans | -66.1 | 94.3 | 165.6 | 0 | 0 | 0 | 0 | 0 | 107.2 | V53 S57 | V53-A55 PolarHBondContact O-N 2.67Å; A55-S57 PolarHBondContact O-N 3.25Å; A55-S57 VanDerWaalsContact C-N 3.29Å |
| 56 | V | 44.8 | Very low | 45 | Very low | 116 Ų | 116 | 110.9 Ų | 110.9 | 70% | 0.703 | 62% | 0.617 | S | S | * | * | | | trans | -64.5 | 98.5 | 170.6 | 179.5 | 0 | 0 | 0 | 0 | 106.3 | V54 L58 | V54-V56 VanDerWaalsContact C-N 3.27Å; V54-V56 HydrophobicContact CG1-CG2 4.28Å; V54-V56 PolarHBondContact O-N 2.87Å; V56-L58 PolarHBondContact O-N 3.33Å; V56-L58 VanDerWaalsContact O-N 3.09Å |
| 57 | S | 37.6 | Very low | 44.6 | Very low | 91 Ų | 91 | 103.3 Ų | 103.3 | 64% | 0.636 | 60% | 0.602 | S | S | * | * | | | trans | -72.9 | 102 | 179.2 | -66.4 | 0 | 0 | 0 | 0 | 108.6 | A55 L59 | A55-S57 PolarHBondContact O-N 3.25Å; A55-S57 VanDerWaalsContact C-N 3.29Å; S57-L59 PolarHBondContact O-N 3.46Å |
| 58 | L | 44.8 | Very low | 44.1 | Very low | 141 Ų | 141 | 104.2 Ų | 104.2 | 74% | 0.738 | 61% | 0.614 | S | S | * | * | S | Bend | trans | 51.5 | 37.5 | 141.2 | -61.5 | 171.4 | 0 | 0 | 0 | 118.3 | V56 L61 | V56-L58 PolarHBondContact O-N 3.33Å; V56-L58 VanDerWaalsContact O-N 3.09Å; L58-L61 HydrophobicContact CD2-CD1 3.87Å |
| 59 | L | 44.7 | Very low | 43.7 | Very low | 160 Ų | 160 | 105.4 Ų | 105.4 | 84% | 0.838 | 63% | 0.626 | S | S | * | * | S | Bend | trans | -116 | -6.3 | 165.8 | -99.2 | 88.9 | 0 | 0 | 0 | 115.5 | S57 | S57-L59 PolarHBondContact O-N 3.46Š|
| 60 | D | 43.6 | Very low | 43.3 | Very low | 123 Ų | 123 | 108 Ų | 108 | 66% | 0.658 | 64% | 0.644 | S | S | * | * | | | trans | -117.7 | 37 | 179.8 | -148.8 | 6.2 | 0 | 0 | 0 | 113.1 | T62 | D60-T62 PolarHBondContact O-N 3.2Š|
| 61 | L | 39.9 | Very low | 43 | Very low | 144 Ų | 144 | 111.4 Ų | 111.4 | 75% | 0.754 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.5 | 11.9 | 174.6 | -117.1 | 94.9 | 0 | 0 | 0 | 113.6 | L58 | L58-L61 HydrophobicContact CD2-CD1 3.87Š|
| 62 | T | 43.2 | Very low | 42.9 | Very low | 127 Ų | 127 | 114.3 Ų | 114.3 | 78% | 0.779 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.1 | 3.3 | -173.6 | 51.5 | 0 | 0 | 0 | 0 | 115.4 | D60 | D60-T62 PolarHBondContact O-N 3.2Š|
| 63 | R | 43.8 | Very low | 42.4 | Very low | 198 Ų | 198 | 115.2 Ų | 115.2 | 75% | 0.747 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -117 | -17 | 179.2 | -87.9 | -173.7 | 178.2 | -162.2 | -0 | 118.9 | | |
| 64 | H | 35.3 | Very low | 42.4 | Very low | 165 Ų | 165 | 113.5 Ų | 113.5 | 76% | 0.764 | 68% | 0.676 | S | S | * | * | | | trans | -146 | 113.4 | 177.6 | -68.5 | -71.3 | 0 | 0 | 0 | 113.1 | S66 | H64-S66 VanDerWaalsContact C-N 3.34Å; H64-S66 PolarHBondContact O-N 2.99Å |
| 65 | P | 39.5 | Very low | 42.1 | Very low | 132 Ų | 132 | 116.9 Ų | 116.9 | 86% | 0.857 | 69% | 0.687 | S | S | * | * | | | trans | -90.3 | 66.1 | 177.9 | 37.3 | -32 | 0 | 0 | 0 | 109.9 | | |
| 66 | S | 39.2 | Very low | 42.1 | Very low | 89 Ų | 89 | 118.3 Ų | 118.3 | 62% | 0.622 | 68% | 0.682 | S | S | * | * | | | trans | -172.8 | 80.8 | 171.9 | 53.3 | 0 | 0 | 0 | 0 | 111.7 | H64 | H64-S66 VanDerWaalsContact C-N 3.34Å; H64-S66 PolarHBondContact O-N 2.99Å |
| 67 | T | 39.1 | Very low | 42 | Very low | 120 Ų | 120 | 117.2 Ų | 117.2 | 74% | 0.736 | 68% | 0.677 | S | S | * | * | | | trans | 161.1 | 125.2 | 135.2 | 34.6 | 0 | 0 | 0 | 0 | 109.9 | G69 | T67-G69 PolarHBondContact O-N 3.01Š|
| 68 | P | 39.7 | Very low | 42.1 | Very low | 137 Ų | 137 | 121.7 Ų | 121.7 | 89% | 0.89 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -78.2 | 120.6 | 167.3 | 31 | -26.8 | 0 | 0 | 0 | 108.3 | | |
| 69 | G | 42.4 | Very low | 42 | Very low | 72 Ų | 72 | 120.8 Ų | 120.8 | 74% | 0.742 | 68% | 0.682 | S | S | * | * | | | trans | 105.8 | 39.2 | 159.2 | 0 | 0 | 0 | 0 | 0 | 118.1 | T67 L71 | T67-G69 PolarHBondContact O-N 3.01Å; G69-L71 PolarHBondContact O-N 3.39Å; G69-L71 VanDerWaalsContact O-N 3.13Å |
| 70 | S | 41.3 | Very low | 41.9 | Very low | 96 Ų | 96 | 117.8 Ų | 117.8 | 67% | 0.671 | 67% | 0.674 | S | S | * | * | | | trans | -75.2 | 99.3 | 163.8 | 53.3 | 0 | 0 | 0 | 0 | 110.5 | V72 | S70-V72 PolarHBondContact O-N 3.17Å; S70-V72 VanDerWaalsContact O-N 3.15Å |
| 71 | L | 44.7 | Very low | 41.5 | Very low | 135 Ų | 135 | 117.6 Ų | 117.6 | 71% | 0.707 | 67% | 0.673 | S | S | * | * | | | trans | -73.5 | 97.5 | 165.2 | -73.7 | 166.8 | 0 | 0 | 0 | 108 | V53 G69 C73 | V53-L71 HydrophobicContact CG1-CD2 3.61Å; G69-L71 PolarHBondContact O-N 3.39Å; G69-L71 VanDerWaalsContact O-N 3.13Å; L71-C73 PolarHBondContact O-N 2.95Å |
| 72 | V | 46.6 | Very low | 41.5 | Very low | 76 Ų | 76 | 116.5 Ų | 116.5 | 46% | 0.461 | 68% | 0.675 | S | S | . | * | | | trans | -77.2 | 110.4 | 174.8 | -176.9 | 0 | 0 | 0 | 0 | 108.7 | S70 A74 L89 | S70-V72 PolarHBondContact O-N 3.17Å; S70-V72 VanDerWaalsContact O-N 3.15Å; V72-A74 PolarHBondContact O-N 2.52Å; V72-L89 HydrophobicContact CG1-CD2 4.31Å |
| 73 | C | 42 | Very low | 41.5 | Very low | 79 Ų | 79 | 117 Ų | 117 | 53% | 0.534 | 68% | 0.677 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -76.6 | 97.8 | 167.9 | -79 | 0 | 0 | 0 | 0 | 108.9 | L71 | L71-C73 PolarHBondContact O-N 2.95Å |
| 74 | A | 48.6 | Very low | 41.4 | Very low | 35 Ų | 35 | 111.8 Ų | 111.8 | 29% | 0.289 | 67% | 0.671 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -82.1 | 115.4 | 167.8 | 0 | 0 | 0 | 0 | 0 | 109 | V72 M76 | V72-A74 PolarHBondContact O-N 2.52Å; A74-M76 PolarHBondContact O-N 3.41Å; A74-M76 VanDerWaalsContact O-N 3.17Å |
| 75 | H | 41.5 | Very low | 41.7 | Very low | 140 Ų | 140 | 113.3 Ų | 113.3 | 65% | 0.648 | 68% | 0.676 | S | S | * | * | | | trans | -68.2 | 107.9 | 164.3 | -172.8 | 90.1 | 0 | 0 | 0 | 107.5 | P77 | H75-P77 WeakPolarHBondContact O-CD 3.33Š|
| 76 | M | 41.4 | Very low | 41.7 | Very low | 109 Ų | 109 | 116.2 Ų | 116.2 | 54% | 0.537 | 68% | 0.675 | S | S | . | * | | | trans | -85.2 | 111.1 | 172.5 | -70.2 | -147.8 | 174.7 | 0 | 0 | 108.8 | V54 A74 | V54-M76 HydrophobicContact CG2-CE 3.82Å; A74-M76 PolarHBondContact O-N 3.41Å; A74-M76 VanDerWaalsContact O-N 3.17Å |
| 77 | P | 42.6 | Very low | 42.1 | Very low | 93 Ų | 93 | 116.9 Ų | 116.9 | 60% | 0.604 | 68% | 0.678 | S | S | * | * | | | trans | -63.3 | 142.2 | 164.5 | 28.2 | -31.8 | 0 | 0 | 0 | 108.1 | H75 I79 | H75-P77 WeakPolarHBondContact O-CD 3.33Å; P77-I79 PolarHBondContact O-N 3.23Å; P77-I79 WeakPolarHBondContact O-CG1 3.22Å |
| 78 | H | 40.8 | Very low | 42.2 | Very low | 185 Ų | 185 | 119.1 Ų | 119.1 | 86% | 0.856 | 68% | 0.68 | S | S | * | * | | | trans | -54.1 | 104.9 | 179.9 | -153.3 | -89 | 0 | 0 | 0 | 109.1 | S80 | H78-S80 PolarHBondContact O-N 3.02Š|
| 79 | I | 42.2 | Very low | 42.5 | Very low | 121 Ų | 121 | 118.4 Ų | 118.4 | 62% | 0.621 | 67% | 0.668 | S | S | * | * | | | trans | -69.8 | 103.1 | -174 | -62.6 | 171.4 | 0 | 0 | 0 | 108.2 | P77 | P77-I79 PolarHBondContact O-N 3.23Å; P77-I79 WeakPolarHBondContact O-CG1 3.22Å |
| 80 | S | 43.4 | Very low | 42.7 | Very low | 98 Ų | 98 | 122.1 Ų | 122.1 | 69% | 0.685 | 67% | 0.666 | S | S | * | * | S | Bend | trans | -92.6 | -19.3 | 159.7 | -54.2 | 0 | 0 | 0 | 0 | 111.5 | H78 | H78-S80 PolarHBondContact O-N 3.02Š|
| 81 | D | 33.6 | Very low | 42.6 | Very low | 119 Ų | 119 | 125.6 Ų | 125.6 | 64% | 0.636 | 67% | 0.671 | S | S | * | * | | | trans | -139.9 | 122.7 | -173.9 | -63 | -57.7 | 0 | 0 | 0 | 111.8 | V83 | D81-V83 PolarHBondContact O-N 2.05Š|
| 82 | P | 40.2 | Very low | 42.5 | Very low | 121 Ų | 121 | 128.1 Ų | 128.1 | 79% | 0.786 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.1 | 18.7 | -169.9 | 33.6 | -35.2 | 0 | 0 | 0 | 116.4 | | |
| 83 | V | 44.6 | Very low | 42.1 | Very low | 137 Ų | 137 | 129.4 Ų | 129.4 | 83% | 0.83 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -124.4 | 6.7 | -169.4 | -169 | 0 | 0 | 0 | 0 | 115.2 | D81 | D81-V83 PolarHBondContact O-N 2.05Š|
| 84 | S | 40 | Very low | 42.1 | Very low | 89 Ų | 89 | 133.4 Ų | 133.4 | 62% | 0.622 | 71% | 0.706 | S | S | * | * | | | trans | -149.3 | 120.8 | 175.9 | 43.5 | 0 | 0 | 0 | 0 | 107 | | |
| 85 | F | 41.8 | Very low | 41.6 | Very low | 197 Ų | 197 | 136.8 Ų | 136.8 | 86% | 0.864 | 73% | 0.727 | S | S | * | * | | | cis | -175.7 | 159.4 | 45.9 | -146.5 | -113.9 | 0 | 0 | 0 | 107.6 | | |
| 86 | F | 40.5 | Very low | 41.8 | Very low | 192 Ų | 192 | 135.1 Ų | 135.1 | 84% | 0.842 | 73% | 0.729 | S | S | * | * | | | trans | -48.3 | 132.1 | 174.2 | -84.7 | -107.4 | 0 | 0 | 0 | 112.6 | E88 | F86-E88 PolarHBondContact O-N 2.91Š|
| 87 | P | 46.3 | Very low | 42 | Very low | 103 Ų | 103 | 135.9 Ų | 135.9 | 67% | 0.669 | 74% | 0.742 | S | S | * | * | | | trans | -75.1 | 113 | 170.4 | 29.2 | -29.6 | 0 | 0 | 0 | 109.2 | L89 | P87-L89 PolarHBondContact O-N 3.17Å; P87-L89 VanDerWaalsContact O-N 3.08Å |
| 88 | E | 41.6 | Very low | 42.1 | Very low | 167 Ų | 167 | 135.8 Ų | 135.8 | 78% | 0.78 | 75% | 0.749 | S | S | * | * | | | trans | -61.2 | 106.5 | 162 | -169.8 | 175.6 | 118.2 | 0 | 0 | 107.6 | F86 Q90 | F86-E88 PolarHBondContact O-N 2.91Å; E88-Q90 VanDerWaalsContact C-N 3.35Å; E88-Q90 PolarHBondContact O-N 3.46Å |
| 89 | L | 47.3 | Very low | 42.7 | Very low | 122 Ų | 122 | 133.6 Ų | 133.6 | 64% | 0.639 | 75% | 0.749 | S | S | * | * | | | trans | -72.4 | 86.2 | -179.1 | -70 | 170.4 | 0 | 0 | 0 | 109.8 | V72 P87 Q91 | V72-L89 HydrophobicContact CG1-CD2 4.31Å; P87-L89 PolarHBondContact O-N 3.17Å; P87-L89 VanDerWaalsContact O-N 3.08Å; L89-Q91 VanDerWaalsContact C-N 3.35Å; L89-Q91 PolarHBondContact O-N 3.08Å |
| 90 | Q | 45.9 | Very low | 43.1 | Very low | 150 Ų | 150 | 133.8 Ų | 133.8 | 70% | 0.701 | 76% | 0.755 | S | S | * | * | | | trans | -72.8 | 93.3 | 163.7 | -82.6 | 178.6 | -2.9 | 0 | 0 | 109 | E88 F92 | E88-Q90 VanDerWaalsContact C-N 3.35Å; E88-Q90 PolarHBondContact O-N 3.46Å; Q90-F92 PolarHBondContact O-N 2.94Å; Q90-F92 VanDerWaalsContact O-N 3.11Å |
| 91 | Q | 39.1 | Very low | 43.2 | Very low | 169 Ų | 169 | 134.2 Ų | 134.2 | 79% | 0.79 | 76% | 0.756 | S | S | * | * | | | trans | -65.3 | 104 | 169.4 | -73.5 | 177.4 | 5.2 | 0 | 0 | 109.2 | L89 S93 | L89-Q91 VanDerWaalsContact C-N 3.35Å; L89-Q91 PolarHBondContact O-N 3.08Å; Q91-S93 PolarHBondContact O-N 3.25Å |
| 92 | F | 42.5 | Very low | 44.1 | Very low | 188 Ų | 188 | 138.3 Ų | 138.3 | 83% | 0.825 | 79% | 0.788 | S | S | * | * | | | trans | -78 | 98.6 | 162.7 | -101.7 | -94.9 | 0 | 0 | 0 | 108.1 | Q90 D94 | Q90-F92 PolarHBondContact O-N 2.94Å; Q90-F92 VanDerWaalsContact O-N 3.11Å; F92-D94 PolarHBondContact O-N 3.5Å |
| 93 | S | 38.7 | Very low | 44.3 | Very low | 104 Ų | 104 | 139.2 Ų | 139.2 | 73% | 0.727 | 79% | 0.788 | S | S | * | * | | | trans | -71.9 | 102.6 | 169 | -72.4 | 0 | 0 | 0 | 0 | 109.5 | Q91 S95 | Q91-S93 PolarHBondContact O-N 3.25Å; S93-S95 VanDerWaalsContact C-N 3.31Å; S93-S95 PolarHBondContact O-N 2.97Å |
| 94 | D | 41.2 | Very low | 44.3 | Very low | 162 Ų | 162 | 139.3 Ų | 139.3 | 87% | 0.866 | 79% | 0.786 | S | S | * | * | | | trans | -68.2 | 90.8 | 162.2 | -91.7 | -45 | 0 | 0 | 0 | 108.6 | F92 P96 | F92-D94 PolarHBondContact O-N 3.5Å; D94-P96 WeakPolarHBondContact O-CD 3.49Å |
| 95 | S | 38 | Very low | 44.6 | Very low | 107 Ų | 107 | 142.1 Ų | 142.1 | 75% | 0.748 | 80% | 0.795 | S | S | * | * | | | trans | -95 | 107.5 | 166.1 | -156.4 | 0 | 0 | 0 | 0 | 108 | S93 | S93-S95 VanDerWaalsContact C-N 3.31Å; S93-S95 PolarHBondContact O-N 2.97Å |
| 96 | P | 46.7 | Very low | 44.7 | Very low | 104 Ų | 104 | 138.8 Ų | 138.8 | 68% | 0.675 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 142.3 | 166.3 | 27.9 | -31.6 | 0 | 0 | 0 | 108.7 | D94 A98 | D94-P96 WeakPolarHBondContact O-CD 3.49Å; P96-A98 PolarHBondContact O-N 2.89Å; P96-A98 VanDerWaalsContact O-N 3.13Å |
| 97 | P | 44.8 | Very low | 45 | Very low | 125 Ų | 125 | 135.5 Ų | 135.5 | 81% | 0.812 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 123.4 | 173.2 | 25 | -31.8 | 0 | 0 | 0 | 108.9 | V99 | P97-V99 PolarHBondContact O-N 3.03Š|
| 98 | A | 44.3 | Very low | 44.9 | Very low | 91 Ų | 91 | 137.7 Ų | 137.7 | 75% | 0.752 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -55.9 | 116.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | P96 V100 | P96-A98 PolarHBondContact O-N 2.89Å; P96-A98 VanDerWaalsContact O-N 3.13Å; A98-V100 PolarHBondContact O-N 3.37Å |
| 99 | V | 53.5 | Low | 45.1 | Very low | 140 Ų | 140 | 135.6 Ų | 135.6 | 85% | 0.848 | 80% | 0.797 | S | S | * | * | | | trans | -80 | 108.1 | 159.8 | 179.4 | 0 | 0 | 0 | 0 | 106.3 | P97 | P97-V99 PolarHBondContact O-N 3.03Š|
| 100 | V | 51.5 | Low | 45 | Very low | 124 Ų | 124 | 136.6 Ų | 136.6 | 75% | 0.752 | 81% | 0.809 | S | S | * | * | | | trans | -77.1 | 129.4 | 176.6 | -178.7 | 0 | 0 | 0 | 0 | 109.1 | A98 | A98-V100 PolarHBondContact O-N 3.37Š|
| 101 | P | 45.6 | Very low | 44.9 | Very low | 108 Ų | 108 | 135.5 Ų | 135.5 | 70% | 0.701 | 82% | 0.818 | S | S | * | * | | | trans | -107.5 | 163.8 | 164.5 | 37.4 | -28.5 | 0 | 0 | 0 | 111.6 | | |
| 102 | P | 52.7 | Low | 45.4 | Very low | 204 Ų | 204 | 132.5 Ų | 132.5 | 100% | 1.325 | 82% | 0.821 | S | S | * | * | | | cis | -98.4 | 0 | -10.4 | 37.3 | -31 | 0 | 0 | 0 | 114.3 | | |