| 1 | G | 42.8 | Very low | 56 | Low | 121 Ų | 121 | 125.6 Ų | 125.6 | 100% | 1.247 | 80% | 0.803 | S | S | * | * | | | | 0 | 138.7 | 0 | 0 | 0 | 0 | 0 | 0 | 108.1 | | |
| 2 | P | 48.8 | Very low | 57 | Low | 141 Ų | 141 | 122 Ų | 122 | 92% | 0.916 | 79% | 0.792 | S | S | * | * | | | trans | -66.3 | 138.3 | 171.8 | 33.4 | -31.8 | 0 | 0 | 0 | 106.5 | | |
| 3 | G | 51.4 | Low | 57.4 | Low | 44 Ų | 44 | 121.2 Ų | 121.2 | 45% | 0.454 | 79% | 0.792 | S | S | . | * | | | cis | 133 | 98.2 | 31.1 | 0 | 0 | 0 | 0 | 0 | 104.1 | | |
| 4 | Y | 55.3 | Low | 58 | Low | 206 Ų | 206 | 124.1 Ų | 124.1 | 81% | 0.808 | 80% | 0.797 | S | S | * | * | | | trans | 30.4 | 107.9 | 154.1 | 39.8 | -91.2 | 0 | 0 | 0 | 117.1 | S6 | Y4-S6 PolarHBondContact O-N 3.16Š|
| 5 | T | 61.1 | Low | 58.6 | Low | 146 Ų | 146 | 122.3 Ų | 122.3 | 90% | 0.896 | 80% | 0.797 | S | S | * | * | | | trans | 16.2 | 101.4 | 136.5 | 59.6 | 0 | 0 | 0 | 0 | 115.5 | | |
| 6 | S | 59.1 | Low | 59 | Low | 127 Ų | 127 | 120.4 Ų | 120.4 | 89% | 0.888 | 79% | 0.787 | S | S | * | * | | | trans | -136.7 | 105.5 | 162.8 | -169.3 | 0 | 0 | 0 | 0 | 109.8 | Y4 | Y4-S6 PolarHBondContact O-N 3.16Š|
| 7 | G | 58.8 | Low | 59.5 | Low | 52 Ų | 52 | 124.8 Ų | 124.8 | 54% | 0.536 | 80% | 0.795 | S | S | . | * | | | trans | 85.1 | 86.6 | 156 | 0 | 0 | 0 | 0 | 0 | 116.2 | N9 | G7-N9 PolarHBondContact O-N 2.98Š|
| 8 | T | 61.8 | Low | 60.2 | Low | 114 Ų | 114 | 124.2 Ų | 124.2 | 70% | 0.699 | 79% | 0.789 | S | S | * | * | | | trans | -64.9 | 72.1 | 152.8 | 53.3 | 0 | 0 | 0 | 0 | 109.2 | | |
| 9 | N | 62.4 | Low | 60.8 | Low | 142 Ų | 142 | 127.3 Ų | 127.3 | 76% | 0.759 | 79% | 0.793 | S | S | * | * | | | trans | -103 | 9 | -179.9 | -75.3 | 4.8 | 0 | 0 | 0 | 113.3 | G7 | G7-N9 PolarHBondContact O-N 2.98Š|
| 10 | S | 57.7 | Low | 61.2 | Low | 119 Ų | 119 | 124 Ų | 124 | 83% | 0.832 | 77% | 0.774 | S | S | * | * | S | Bend | trans | -118.4 | -6 | -177.2 | -55.6 | 0 | 0 | 0 | 0 | 114.5 | A12 | S10-A12 VanDerWaalsContact C-N 3.27Å; S10-A12 PolarHBondContact O-N 2.87Å |
| 11 | E | 57 | Low | 61.9 | Low | 170 Ų | 170 | 124.5 Ų | 124.5 | 79% | 0.794 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -84.5 | 2.6 | -176.8 | -70.2 | -178.7 | 94.6 | 0 | 0 | 114 | | |
| 12 | A | 67.7 | Low | 63.7 | Low | 82 Ų | 82 | 124.5 Ų | 124.5 | 68% | 0.678 | 74% | 0.739 | S | S | * | * | | | trans | -134.5 | 94.5 | 176 | 0 | 0 | 0 | 0 | 0 | 109.7 | S10 | S10-A12 VanDerWaalsContact C-N 3.27Å; S10-A12 PolarHBondContact O-N 2.87Å |
| 13 | S | 62.2 | Low | 65 | Low | 112 Ų | 112 | 126.2 Ų | 126.2 | 78% | 0.783 | 73% | 0.727 | S | S | * | * | | | trans | -168.3 | 96.7 | 144.4 | -79.4 | 0 | 0 | 0 | 0 | 108.3 | A15 | S13-A15 PolarHBondContact O-N 3.02Š|
| 14 | N | 66 | Low | 66.4 | Low | 162 Ų | 162 | 131.7 Ų | 131.7 | 87% | 0.866 | 75% | 0.746 | S | S | * | * | | | trans | -61.6 | 89.1 | 162.7 | -79.8 | -76.6 | 0 | 0 | 0 | 107.5 | S16 | N14-S16 PolarHBondContact O-N 3.23Š|
| 15 | A | 66.7 | Low | 67.6 | Low | 96 Ų | 96 | 129.6 Ų | 129.6 | 79% | 0.793 | 74% | 0.744 | S | S | * | * | | | trans | -76.3 | 47.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | S13 | S13-A15 PolarHBondContact O-N 3.02Š|
| 16 | S | 65.2 | Low | 68.5 | Low | 92 Ų | 92 | 127.3 Ų | 127.3 | 64% | 0.643 | 73% | 0.725 | S | S | * | * | | | trans | -111.1 | 75.9 | 177.1 | -57.3 | 0 | 0 | 0 | 0 | 108.7 | N14 T18 | N14-S16 PolarHBondContact O-N 3.23Å; S16-T18 PolarHBondContact O-N 3.45Å |
| 17 | E | 68.1 | Low | 69.7 | Low | 196 Ų | 196 | 125.9 Ų | 125.9 | 92% | 0.916 | 72% | 0.716 | S | S | * | * | | | trans | -86.1 | 87.5 | 161.8 | -63.9 | -172.4 | 102.2 | 0 | 0 | 107.4 | | |
| 18 | T | 71.4 | Confident | 71 | Confident | 113 Ų | 113 | 128.9 Ų | 128.9 | 69% | 0.693 | 72% | 0.719 | S | S | * | * | | | trans | -90.3 | 101.1 | 167.3 | 46.9 | 0 | 0 | 0 | 0 | 107.7 | S16 S20 | S16-T18 PolarHBondContact O-N 3.45Å; T18-S20 PolarHBondContact O-N 3.34Å; T18-S20 PolarHBondContact O-OG 3.41Å |
| 19 | E | 71 | Confident | 72 | Confident | 183 Ų | 183 | 134.2 Ų | 134.2 | 86% | 0.855 | 73% | 0.727 | S | S | * | * | | | trans | -53 | 106.5 | 164 | -177.7 | 173.1 | 87.3 | 0 | 0 | 107.1 | D21 | E19-D21 PolarHBondContact O-N 3.45Š|
| 20 | S | 68.9 | Low | 73 | Confident | 61 Ų | 61 | 133.1 Ų | 133.1 | 43% | 0.427 | 73% | 0.731 | S | S | . | * | | | trans | -84 | 114.6 | -177.8 | -63.9 | 0 | 0 | 0 | 0 | 108.1 | T18 H22 R23 | T18-S20 PolarHBondContact O-N 3.34Å; T18-S20 PolarHBondContact O-OG 3.41Å; S20-H22 PolarHBondContact O-N 3.2Å; S20-R23 WeakPolarHBondContact O-CG 3.31Å; S20-R23 PolarHBondContact O-N 3.2Å |
| 21 | D | 75.8 | Confident | 74.1 | Confident | 136 Ų | 136 | 134.4 Ų | 134.4 | 73% | 0.727 | 73% | 0.727 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.1 | -10.2 | 177 | -67.5 | -73.4 | 0 | 0 | 0 | 114 | E19 | E19-D21 PolarHBondContact O-N 3.45Š|
| 22 | H | 80.5 | Confident | 75.4 | Confident | 120 Ų | 120 | 128.8 Ų | 128.8 | 56% | 0.556 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.4 | 20.9 | -178.5 | -38.4 | -56 | 0 | 0 | 0 | 112.6 | S20 D24 E25 | S20-H22 PolarHBondContact O-N 3.2Å; H22-D24 PolarHBondContact O-N 3.3Å; H22-D24 VanDerWaalsContact O-N 3.13Å; H22-E25 HydrophobicContact CB-CG 4.48Å; H22-E25 PolarHBondContact O-N 3.04Å |
| 23 | R | 77.3 | Confident | 76 | Confident | 177 Ų | 177 | 127.8 Ų | 127.8 | 67% | 0.668 | 70% | 0.697 | S | S | * | * | G | 310 helix | trans | -53.4 | -33.7 | -180 | -92.9 | -63.7 | -167.9 | 166.1 | -1.9 | 112.6 | S20 E25 L26 | S20-R23 WeakPolarHBondContact O-CG 3.31Å; S20-R23 PolarHBondContact O-N 3.2Å; R23-E25 VanDerWaalsContact C-N 3.25Å; R23-E25 PolarHBondContact O-N 2.87Å; R23-L26 WeakPolarHBondContact O-CB 3.46Å; R23-L26 PolarHBondContact O-N 3.41Å |
| 24 | D | 79.8 | Confident | 77.1 | Confident | 159 Ų | 159 | 126.3 Ų | 126.3 | 85% | 0.85 | 68% | 0.683 | S | S | * | * | G | 310 helix | trans | -72.2 | -14 | 179.9 | -53.2 | -69.7 | 0 | 0 | 0 | 114.1 | H22 L26 | H22-D24 PolarHBondContact O-N 3.3Å; H22-D24 VanDerWaalsContact O-N 3.13Å; D24-L26 VanDerWaalsContact C-N 3.35Å |
| 25 | E | 81.6 | Confident | 77.9 | Confident | 162 Ų | 162 | 124 Ų | 124 | 76% | 0.757 | 67% | 0.667 | S | S | * | * | G | 310 helix | trans | -88.1 | -5.8 | 173.5 | -60 | -178.7 | -169.2 | 0 | 0 | 112.4 | H22 R23 S27 | H22-E25 HydrophobicContact CB-CG 4.48Å; H22-E25 PolarHBondContact O-N 3.04Å; R23-E25 VanDerWaalsContact C-N 3.25Å; R23-E25 PolarHBondContact O-N 2.87Å; E25-S27 PolarHBondContact O-N 2.99Å |
| 26 | L | 80.4 | Confident | 78.6 | Confident | 98 Ų | 98 | 127.2 Ų | 127.2 | 51% | 0.513 | 67% | 0.665 | S | S | . | * | S | Bend | trans | -72.6 | 122.6 | 177.2 | -68 | 173 | 0 | 0 | 0 | 110.2 | R23 D24 D28 | R23-L26 WeakPolarHBondContact O-CB 3.46Å; R23-L26 PolarHBondContact O-N 3.41Å; D24-L26 VanDerWaalsContact C-N 3.35Å; L26-D28 PolarHBondContact O-N 2.95Å |
| 27 | S | 82.5 | Confident | 79.4 | Confident | 98 Ų | 98 | 127.6 Ų | 127.6 | 69% | 0.685 | 66% | 0.657 | S | S | * | * | | | trans | -56.9 | 128.7 | 174 | -174.9 | 0 | 0 | 0 | 0 | 111.2 | E25 W29 | E25-S27 PolarHBondContact O-N 2.99Å; S27-W29 PolarHBondContact O-N 3.45Å |
| 28 | D | 86.3 | Confident | 80.1 | Confident | 114 Ų | 114 | 124.7 Ų | 124.7 | 61% | 0.61 | 64% | 0.637 | S | S | * | * | | | trans | -64.7 | 104.9 | 177.2 | -71.9 | -36.5 | 0 | 0 | 0 | 111.5 | L26 S30 L31 | L26-D28 PolarHBondContact O-N 2.95Å; D28-S30 PolarHBondContact O-N 3.02Å; D28-L31 HydrophobicContact CB-CD1 4.38Å; D28-L31 PolarHBondContact O-N 3.03Å |
| 29 | W | 84.6 | Confident | 80.6 | Confident | 226 Ų | 226 | 123 Ų | 123 | 86% | 0.856 | 62% | 0.622 | S | S | * | * | G | 310 helix | trans | -69.4 | -12.8 | 174.2 | -73.4 | 77.5 | 0 | 0 | 0 | 112.9 | S27 L31 A32 | S27-W29 PolarHBondContact O-N 3.45Å; W29-L31 PolarHBondContact O-N 3.34Å; W29-A32 WeakPolarHBondContact O-CB 3.46Å; W29-A32 PolarHBondContact O-N 2.99Å; W29-A32 VanDerWaalsContact O-N 3.08Å |
| 30 | S | 82.5 | Confident | 80.9 | Confident | 120 Ų | 120 | 117.1 Ų | 117.1 | 84% | 0.839 | 60% | 0.601 | S | S | * | * | G | 310 helix | trans | -65 | -20.3 | 173.8 | -53.6 | 0 | 0 | 0 | 0 | 113.2 | D28 A32 | D28-S30 PolarHBondContact O-N 3.02Å; S30-A32 VanDerWaalsContact C-N 3.3Å |
| 31 | L | 79.7 | Confident | 81.1 | Confident | 146 Ų | 146 | 119.1 Ų | 119.1 | 76% | 0.764 | 60% | 0.602 | S | S | * | * | G | 310 helix | trans | -87.8 | 2.1 | 175 | -71.4 | 172.7 | 0 | 0 | 0 | 113 | D28 W29 | D28-L31 HydrophobicContact CB-CD1 4.38Å; D28-L31 PolarHBondContact O-N 3.03Å; W29-L31 PolarHBondContact O-N 3.34Å |
| 32 | A | 86 | Confident | 81.1 | Confident | 51 Ų | 51 | 118.5 Ų | 118.5 | 42% | 0.421 | 60% | 0.598 | S | S | . | * | S | Bend | trans | -59.6 | 136.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | W29 S30 T34 | W29-A32 WeakPolarHBondContact O-CB 3.46Å; W29-A32 PolarHBondContact O-N 2.99Å; W29-A32 VanDerWaalsContact O-N 3.08Å; S30-A32 VanDerWaalsContact C-N 3.3Å; A32-T34 PolarHBondContact O-N 3.3Å |
| 33 | P | 80.1 | Confident | 80.5 | Confident | 62 Ų | 62 | 120 Ų | 120 | 40% | 0.403 | 60% | 0.599 | S | S | . | * | P | Polyproline II helix | trans | -53.7 | 133.7 | 177.8 | -26.4 | 34 | 0 | 0 | 0 | 111 | E37 R38 F41 | P33-E37 HydrophobicContact CB-CB 4.23Å; P33-R38 HydrophobicContact CB-CG 3.99Å; P33-R38 WeakPolarHBondContact O-CD 3.36Å; P33-F41 HydrophobicContact CB-CE2 4.1Å; P33-F41 HydrophobicContact CG-CE2 4.31Å |
| 34 | T | 85.2 | Confident | 79.9 | Confident | 80 Ų | 80 | 119.1 Ų | 119.1 | 49% | 0.491 | 60% | 0.596 | S | S | . | * | P | Polyproline II helix | trans | -64 | 158.2 | 177 | 60.1 | 0 | 0 | 0 | 0 | 110.5 | A32 E36 E37 R38 | A32-T34 PolarHBondContact O-N 3.3Å; T34-E36 PolarHBondContact O-N 3.37Å; T34-E37 WeakPolarHBondContact CB-OE2 3.49Å; T34-E37 PolarHBondContact N-OE2 3.35Å; T34-E37 CarbonylContact O-C 3.6Å; T34-E37 WeakPolarHBondContact O-CA 2.97Å; T34-E37 WeakPolarHBondContact O-CB 3.47Å; T34-E37 PolarHBondContact O-N 2.98Å; T34-E37 VanDerWaalsContact OG1-CG 3.28Å; T34-E37 WeakPolarHBondContact OG1-CG 3.28Å; T34-E37 PolarHBondContact OG1-OE2 3.37Å; T34-R38 VanDerWaalsContact O-CG 3.29Å; T34-R38 WeakPolarHBondContact O-CG 3.5Å; T34-R38 PolarHBondContact O-N 2.97Å |
| 35 | E | 82 | Confident | 78.9 | Confident | 115 Ų | 115 | 112.8 Ų | 112.8 | 54% | 0.537 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -55.7 | -37.2 | -178 | -168.6 | 63.1 | -165.1 | 0 | 0 | 112.2 | E37 R38 E39 | E35-E37 PolarHBondContact O-N 2.74Å; E35-R38 WeakPolarHBondContact O-CB 3.49Å; E35-R38 PolarHBondContact O-N 3.18Å; E35-R38 WeakPolarHBondContact OE2-CD 3.32Å; E35-R38 IonicContact OE2-NH1 3.27Å; E35-R38 PolarHBondContact OE2-NH1 2.96Å; E35-E39 WeakPolarHBondContact O-CB 3.45Å; E35-E39 WeakPolarHBondContact O-CG 3.36Å; E35-E39 PolarHBondContact O-N 3.32Å |
| 36 | E | 81.6 | Confident | 77.6 | Confident | 162 Ų | 162 | 110.4 Ų | 110.4 | 76% | 0.757 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -64.8 | -39 | 175.3 | -171.9 | 177.4 | 162.6 | 0 | 0 | 112.9 | T34 S40 | T34-E36 PolarHBondContact O-N 3.37Å; E36-S40 PolarHBondContact O-N 3.13Å |
| 37 | E | 82.6 | Confident | 76.5 | Confident | 100 Ų | 100 | 108.7 Ų | 108.7 | 47% | 0.467 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -72.5 | -39 | 175.8 | -68.8 | 172 | 119.1 | 0 | 0 | 111.6 | P33 T34 E35 E39 S40 F41 | P33-E37 HydrophobicContact CB-CB 4.23Å; T34-E37 WeakPolarHBondContact CB-OE2 3.49Å; T34-E37 PolarHBondContact N-OE2 3.35Å; T34-E37 CarbonylContact O-C 3.6Å; T34-E37 WeakPolarHBondContact O-CA 2.97Å; T34-E37 WeakPolarHBondContact O-CB 3.47Å; T34-E37 PolarHBondContact O-N 2.98Å; T34-E37 VanDerWaalsContact OG1-CG 3.28Å; T34-E37 WeakPolarHBondContact OG1-CG 3.28Å; T34-E37 PolarHBondContact OG1-OE2 3.37Å; E35-E37 PolarHBondContact O-N 2.74Å; E37-E39 VanDerWaalsContact C-N 3.33Å; E37-E39 PolarHBondContact O-N 3.27Å; E37-S40 WeakPolarHBondContact O-CA 3.22Å; E37-S40 VanDerWaalsContact O-CB 3.22Å; E37-S40 WeakPolarHBondContact O-CB 3.41Å; E37-S40 PolarHBondContact O-N 3.04Å; E37-F41 HydrophobicContact CB-CE2 4.22Å; E37-F41 WeakPolarHBondContact O-CD2 3.48Å; E37-F41 PolarHBondContact O-N 2.83Å |
| 38 | R | 82.8 | Confident | 75.4 | Confident | 135 Ų | 135 | 113.6 Ų | 113.6 | 51% | 0.509 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -57 | -47.2 | 175.2 | -71.5 | 167.6 | 129 | -150.8 | -1.7 | 111.2 | P33 T34 E35 S40 F41 L42 | P33-R38 HydrophobicContact CB-CG 3.99Å; P33-R38 WeakPolarHBondContact O-CD 3.36Å; T34-R38 VanDerWaalsContact O-CG 3.29Å; T34-R38 WeakPolarHBondContact O-CG 3.5Å; T34-R38 PolarHBondContact O-N 2.97Å; E35-R38 WeakPolarHBondContact O-CB 3.49Å; E35-R38 PolarHBondContact O-N 3.18Å; E35-R38 WeakPolarHBondContact OE2-CD 3.32Å; E35-R38 IonicContact OE2-NH1 3.27Å; E35-R38 PolarHBondContact OE2-NH1 2.96Å; R38-S40 PolarHBondContact O-N 2.95Å; R38-F41 WeakPolarHBondContact O-CB 3.29Å; R38-F41 PolarHBondContact O-N 3.32Å; R38-L42 WeakPolarHBondContact O-CG 3.33Å; R38-L42 PolarHBondContact O-N 3.07Å |
| 39 | E | 80.6 | Confident | 74.2 | Confident | 77 Ų | 77 | 119 Ų | 119 | 36% | 0.36 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -55.8 | -37.9 | 173.5 | -82.6 | -62.1 | 142 | 0 | 0 | 112.3 | E35 E37 R43 | E35-E39 WeakPolarHBondContact O-CB 3.45Å; E35-E39 WeakPolarHBondContact O-CG 3.36Å; E35-E39 PolarHBondContact O-N 3.32Å; E37-E39 VanDerWaalsContact C-N 3.33Å; E37-E39 PolarHBondContact O-N 3.27Å; E39-R43 WeakPolarHBondContact O-CB 3.42Å; E39-R43 WeakPolarHBondContact O-CG 3.18Å; E39-R43 PolarHBondContact O-N 3.29Å; E39-R43 IonicContact OE2-NH1 3.06Å; E39-R43 PolarHBondContact OE2-NH1 3.5Å |
| 40 | S | 77.5 | Confident | 73.2 | Confident | 61 Ų | 61 | 118.4 Ų | 118.4 | 43% | 0.427 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -67.7 | -40 | 173 | -170.4 | 0 | 0 | 0 | 0 | 113 | E36 E37 R38 R43 R44 | E36-S40 PolarHBondContact O-N 3.13Å; E37-S40 WeakPolarHBondContact O-CA 3.22Å; E37-S40 VanDerWaalsContact O-CB 3.22Å; E37-S40 WeakPolarHBondContact O-CB 3.41Å; E37-S40 PolarHBondContact O-N 3.04Å; R38-S40 PolarHBondContact O-N 2.95Å; S40-R43 PolarHBondContact O-N 3.3Å; S40-R44 VanDerWaalsContact O-CB 3.31Å; S40-R44 WeakPolarHBondContact O-CB 3.32Å; S40-R44 PolarHBondContact O-N 3.25Å |
| 41 | F | 73.6 | Confident | 72 | Confident | 102 Ų | 102 | 116.4 Ų | 116.4 | 45% | 0.447 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -65.3 | -36.9 | 175 | -70.3 | -75.2 | 0 | 0 | 0 | 112.9 | P33 E37 R38 G45 | P33-F41 HydrophobicContact CB-CE2 4.1Å; P33-F41 HydrophobicContact CG-CE2 4.31Å; E37-F41 HydrophobicContact CB-CE2 4.22Å; E37-F41 WeakPolarHBondContact O-CD2 3.48Å; E37-F41 PolarHBondContact O-N 2.83Å; R38-F41 WeakPolarHBondContact O-CB 3.29Å; R38-F41 PolarHBondContact O-N 3.32Å; F41-G45 PolarHBondContact O-N 3.19Å |
| 42 | L | 76 | Confident | 71.4 | Confident | 123 Ų | 123 | 113.7 Ų | 113.7 | 64% | 0.644 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -66.9 | -45.6 | 174.7 | -65.9 | 172 | 0 | 0 | 0 | 111.1 | R38 G45 | R38-L42 WeakPolarHBondContact O-CG 3.33Å; R38-L42 PolarHBondContact O-N 3.07Å; L42-G45 WeakPolarHBondContact O-CA 3.41Å; L42-G45 PolarHBondContact O-N 3.08Å |
| 43 | R | 68.6 | Low | 70.3 | Confident | 151 Ų | 151 | 115 Ų | 115 | 57% | 0.57 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -64.4 | -38 | 175.2 | -73.5 | -172.1 | -66.9 | -92.8 | 3.3 | 113.3 | E39 S40 G45 D46 | E39-R43 WeakPolarHBondContact O-CB 3.42Å; E39-R43 WeakPolarHBondContact O-CG 3.18Å; E39-R43 PolarHBondContact O-N 3.29Å; E39-R43 IonicContact OE2-NH1 3.06Å; E39-R43 PolarHBondContact OE2-NH1 3.5Å; S40-R43 PolarHBondContact O-N 3.3Å; R43-G45 PolarHBondContact O-N 3.17Å; R43-D46 PolarHBondContact O-N 3.06Å |
| 44 | R | 63.3 | Low | 69.5 | Low | 160 Ų | 160 | 115.6 Ų | 115.6 | 60% | 0.604 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.6 | -20.5 | 172.5 | -165 | -142.5 | -60.8 | -136 | -0.3 | 112.3 | S40 D46 | S40-R44 VanDerWaalsContact O-CB 3.31Å; S40-R44 WeakPolarHBondContact O-CB 3.32Å; S40-R44 PolarHBondContact O-N 3.25Å; R44-D46 VanDerWaalsContact C-N 3.34Å |
| 45 | G | 58.7 | Low | 68.4 | Low | 26 Ų | 26 | 123.4 Ų | 123.4 | 27% | 0.268 | 64% | 0.641 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -69 | -25.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | F41 L42 R43 G47 R48 | F41-G45 PolarHBondContact O-N 3.19Å; L42-G45 WeakPolarHBondContact O-CA 3.41Å; L42-G45 PolarHBondContact O-N 3.08Å; R43-G45 PolarHBondContact O-N 3.17Å; G45-G47 VanDerWaalsContact C-N 3.32Å; G45-G47 PolarHBondContact O-N 3.36Å; G45-R48 PolarHBondContact O-N 3.47Å |
| 46 | D | 56.2 | Low | 67.3 | Low | 111 Ų | 111 | 121.8 Ų | 121.8 | 59% | 0.594 | 66% | 0.655 | S | S | * | * | G | 310 helix | trans | -79.1 | -14.2 | -175.2 | -163.3 | 26.7 | 0 | 0 | 0 | 113.5 | R43 R44 R48 | R43-D46 PolarHBondContact O-N 3.06Å; R44-D46 VanDerWaalsContact C-N 3.34Å; D46-R48 VanDerWaalsContact C-N 3.26Å; D46-R48 PolarHBondContact O-N 3.4Å |
| 47 | G | 55.5 | Low | 66.5 | Low | 62 Ų | 62 | 123.7 Ų | 123.7 | 64% | 0.639 | 66% | 0.664 | S | S | * | * | G | 310 helix | trans | -75.8 | -10.6 | 171.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | G45 R49 | G45-G47 VanDerWaalsContact C-N 3.32Å; G45-G47 PolarHBondContact O-N 3.36Å; G47-R49 VanDerWaalsContact C-N 3.31Å; G47-R49 PolarHBondContact O-N 2.93Å |
| 48 | R | 59.1 | Low | 65.5 | Low | 201 Ų | 201 | 121.6 Ų | 121.6 | 76% | 0.758 | 67% | 0.669 | S | S | * | * | G | 310 helix | trans | -84.9 | -1.8 | -175.4 | -53.5 | -168.8 | -133.7 | -174.1 | 7.8 | 113.7 | G45 D46 | G45-R48 PolarHBondContact O-N 3.47Å; D46-R48 VanDerWaalsContact C-N 3.26Å; D46-R48 PolarHBondContact O-N 3.4Å |
| 49 | R | 61.6 | Low | 64.5 | Low | 228 Ų | 228 | 119.2 Ų | 119.2 | 86% | 0.86 | 69% | 0.687 | S | S | * | * | G | 310 helix | trans | -118.3 | 3.4 | -178.3 | -61.6 | -164.5 | -161.7 | -178.4 | 7.1 | 115.7 | G47 | G47-R49 VanDerWaalsContact C-N 3.31Å; G47-R49 PolarHBondContact O-N 2.93Å |
| 50 | R | 64.1 | Low | 63.7 | Low | 213 Ų | 213 | 127 Ų | 127 | 80% | 0.804 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -127.6 | 98.9 | 172.6 | -80.7 | -178.2 | -133.6 | 176.3 | 7.8 | 111.9 | | |
| 51 | G | 57 | Low | 63.1 | Low | 79 Ų | 79 | 127.6 Ų | 127.6 | 81% | 0.814 | 73% | 0.728 | S | S | * | * | | | trans | 69.1 | 104 | 144 | 0 | 0 | 0 | 0 | 0 | 117.7 | | |
| 52 | G | 67.4 | Low | 62.7 | Low | 89 Ų | 89 | 134.5 Ų | 134.5 | 92% | 0.918 | 75% | 0.752 | S | S | * | * | | | trans | 55.2 | 108.6 | 133.2 | 0 | 0 | 0 | 0 | 0 | 118.8 | | |
| 53 | G | 63.3 | Low | 61.6 | Low | 79 Ų | 79 | 132.4 Ų | 132.4 | 81% | 0.814 | 76% | 0.759 | S | S | * | * | | | trans | 161.8 | 64 | 165.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 54 | G | 62.3 | Low | 61 | Low | 73 Ų | 73 | 128.2 Ų | 128.2 | 75% | 0.753 | 76% | 0.764 | S | S | * | * | | | trans | 53.6 | 82.2 | 147.6 | 0 | 0 | 0 | 0 | 0 | 118.8 | | |
| 55 | R | 62.4 | Low | 60.7 | Low | 245 Ų | 245 | 124 Ų | 124 | 93% | 0.925 | 77% | 0.77 | S | S | * | * | | | trans | -143 | 54.7 | 144.9 | -61.4 | -170.8 | -168.6 | -178.3 | 3.7 | 111 | Q57 | R55-Q57 PolarHBondContact O-N 2.88Š|
| 56 | G | 58.9 | Low | 60 | Low | 80 Ų | 80 | 131.5 Ų | 131.5 | 83% | 0.825 | 80% | 0.795 | S | S | * | * | | | trans | -81.4 | 65.3 | 155.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | G58 | G56-G58 VanDerWaalsContact C-N 3.27Å; G56-G58 PolarHBondContact O-N 2.84Å |
| 57 | Q | 65.5 | Low | 59.6 | Low | 202 Ų | 202 | 139.5 Ų | 139.5 | 94% | 0.944 | 83% | 0.825 | S | S | * | * | | | trans | -78.3 | 86.6 | 171.2 | -162.7 | 177.4 | 14.7 | 0 | 0 | 107.2 | R55 | R55-Q57 PolarHBondContact O-N 2.88Š|
| 58 | G | 61.6 | Low | 59.8 | Low | 56 Ų | 56 | 143.4 Ų | 143.4 | 58% | 0.577 | 83% | 0.834 | S | S | * | * | | | trans | -167 | 33.4 | -172.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | G56 R60 | G56-G58 VanDerWaalsContact C-N 3.27Å; G56-G58 PolarHBondContact O-N 2.84Å; G58-R60 PolarHBondContact O-N 3.39Å |
| 59 | G | 60.9 | Low | 59.8 | Low | 85 Ų | 85 | 140.4 Ų | 140.4 | 88% | 0.876 | 84% | 0.838 | S | S | * | * | | | trans | -70.2 | 76.6 | 167.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | G61 | G59-G61 PolarHBondContact O-N 2.85Š|
| 60 | R | 63.3 | Low | 59.7 | Low | 241 Ų | 241 | 135.5 Ų | 135.5 | 91% | 0.909 | 84% | 0.837 | S | S | * | * | | | trans | -78.4 | 71.2 | 166.3 | -58.4 | -176.2 | -169.4 | -169.8 | 2.9 | 108 | G58 R62 | G58-R60 PolarHBondContact O-N 3.39Å; R60-R62 PolarHBondContact O-N 3.36Å; R60-R62 VanDerWaalsContact O-N 3.16Å |
| 61 | G | 65.4 | Low | 59.4 | Low | 73 Ų | 73 | 130.9 Ų | 130.9 | 75% | 0.753 | 84% | 0.839 | S | S | * | * | | | trans | -74.2 | 96 | 168.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | G59 | G59-G61 PolarHBondContact O-N 2.85Š|
| 62 | R | 65.2 | Low | 59.6 | Low | 248 Ų | 248 | 134.2 Ų | 134.2 | 94% | 0.936 | 84% | 0.841 | S | S | * | * | | | trans | -142.2 | 118.9 | 158.7 | -64.7 | -171.5 | -169.5 | -112.3 | 1.9 | 108.1 | R60 | R60-R62 PolarHBondContact O-N 3.36Å; R60-R62 VanDerWaalsContact O-N 3.16Å |
| 63 | G | 52.2 | Low | 59.1 | Low | 78 Ų | 78 | 137.2 Ų | 137.2 | 80% | 0.804 | 84% | 0.836 | S | S | * | * | | | trans | 122.9 | 80.6 | -174.1 | 0 | 0 | 0 | 0 | 0 | 108.6 | | |
| 64 | G | 56 | Low | 58.8 | Low | 64 Ų | 64 | 141.4 Ų | 141.4 | 66% | 0.66 | 84% | 0.837 | S | S | * | * | | | | 74.4 | 89.3 | 55.1 | 0 | 0 | 0 | 0 | 0 | 107 | | |
| 65 | G | 57.4 | Low | 58.5 | Low | 72 Ų | 72 | 146.6 Ų | 146.6 | 74% | 0.742 | 84% | 0.844 | S | S | * | * | | | trans | -58.7 | 135.6 | -175.1 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 66 | F | 44.3 | Very low | 58.2 | Low | 182 Ų | 182 | 138.4 Ų | 138.4 | 80% | 0.798 | 84% | 0.837 | S | S | * | * | | | trans | -152.2 | 126.9 | 160.9 | -69.4 | -78.7 | 0 | 0 | 0 | 108.9 | | |
| 67 | K | 47.1 | Very low | 58.1 | Low | 280 Ų | 280 | 143.7 Ų | 143.7 | 100% | 1.217 | 84% | 0.838 | S | S | * | * | | | trans | 58.9 | 0 | 167.4 | 48.5 | 168 | 175.6 | -78.3 | 0 | 118.2 | | |