| 1 | M | 43 | Very low | 52.2 | Low | 244 Ų | 244 | 136.3 Ų | 136.3 | 100% | 1.202 | 83% | 0.83 | S | S | * | * | | | | 0 | 86 | 0 | -63.5 | 173.4 | -170.3 | 0 | 0 | 106 | | |
| 2 | A | 44.3 | Very low | 51.7 | Low | 103 Ų | 103 | 130.8 Ų | 130.8 | 85% | 0.851 | 81% | 0.81 | S | S | * | * | | | | 93.7 | 106.3 | 97.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 3 | A | 61.9 | Low | 51.8 | Low | 97 Ų | 97 | 133.8 Ų | 133.8 | 80% | 0.802 | 81% | 0.809 | S | S | * | * | | | trans | -58.1 | 140.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 4 | Q | 65.1 | Low | 51.6 | Low | 142 Ų | 142 | 136.9 Ų | 136.9 | 66% | 0.664 | 82% | 0.817 | S | S | * | * | | | trans | -162.7 | 84.5 | 149 | -124.1 | 177.1 | 77.3 | 0 | 0 | 113.6 | R6 | Q4-R6 VanDerWaalsContact CD-NE 3.27Å; Q4-R6 HydrophobicContact CG-CG 3.93Å; Q4-R6 PolarHBondContact O-N 3.3Å; Q4-R6 VanDerWaalsContact OE1-CG 3.32Å; Q4-R6 HydrophobicContact CB-CG 4.46Å |
| 5 | Q | 63.4 | Low | 51.4 | Low | 194 Ų | 194 | 134.4 Ų | 134.4 | 91% | 0.907 | 82% | 0.817 | S | S | * | * | | | trans | -67.6 | 117.9 | 146.8 | -63.2 | 177.6 | -78.1 | 0 | 0 | 106.7 | | |
| 6 | R | 54.6 | Low | 51 | Low | 195 Ų | 195 | 128.8 Ų | 128.8 | 74% | 0.736 | 80% | 0.795 | S | S | * | * | | | trans | -106.8 | 82.4 | 170.9 | -74.8 | -82.6 | 131.9 | 165.6 | 2.8 | 107 | Q4 C8 | Q4-R6 VanDerWaalsContact CD-NE 3.27Å; Q4-R6 HydrophobicContact CG-CG 3.93Å; Q4-R6 PolarHBondContact O-N 3.3Å; Q4-R6 VanDerWaalsContact OE1-CG 3.32Å; Q4-R6 HydrophobicContact CB-CG 4.46Å; R6-C8 PolarHBondContact O-N 3.28Å |
| 7 | D | 48.2 | Very low | 50.7 | Low | 153 Ų | 153 | 128.7 Ų | 128.7 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | | | trans | -65.9 | 106.7 | 163.8 | -174.2 | -103.9 | 0 | 0 | 0 | 107.6 | | |
| 8 | C | 53.4 | Low | 50.8 | Low | 124 Ų | 124 | 126.9 Ų | 126.9 | 84% | 0.838 | 80% | 0.797 | S | S | * | * | | | trans | -89.4 | 102.1 | 172.8 | -172.1 | 0 | 0 | 0 | 0 | 106.7 | R6 G10 | R6-C8 PolarHBondContact O-N 3.28Å; C8-G10 PolarHBondContact O-N 2.82Å; C8-G10 VanDerWaalsContact O-N 3.08Å |
| 9 | G | 54.2 | Low | 51 | Low | 71 Ų | 71 | 124.8 Ų | 124.8 | 73% | 0.732 | 79% | 0.793 | S | S | * | * | | | trans | -52.4 | 111.7 | -171.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 10 | G | 41.8 | Very low | 51.2 | Low | 62 Ų | 62 | 128.2 Ų | 128.2 | 64% | 0.639 | 80% | 0.798 | S | S | * | * | | | trans | -116.3 | 114.2 | 147.6 | 0 | 0 | 0 | 0 | 0 | 105.5 | C8 A12 | C8-G10 PolarHBondContact O-N 2.82Å; C8-G10 VanDerWaalsContact O-N 3.08Å; G10-A12 PolarHBondContact O-N 3.41Å |
| 11 | A | 44.1 | Very low | 51.8 | Low | 114 Ų | 114 | 126.3 Ų | 126.3 | 94% | 0.942 | 80% | 0.795 | S | S | * | * | | | trans | -69.6 | 57.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | Q13 | A11-Q13 PolarHBondContact O-N 3.44Š|
| 12 | A | 46.9 | Very low | 53.5 | Low | 71 Ų | 71 | 119.3 Ų | 119.3 | 59% | 0.587 | 76% | 0.763 | S | S | * | * | | | trans | -80.2 | 96.7 | 167.9 | 0 | 0 | 0 | 0 | 0 | 107.7 | G10 | G10-A12 PolarHBondContact O-N 3.41Š|
| 13 | Q | 52.4 | Low | 55.2 | Low | 170 Ų | 170 | 118.5 Ų | 118.5 | 79% | 0.794 | 75% | 0.748 | S | S | * | * | | | trans | 43.6 | 84.7 | 154.4 | -65.4 | 117.9 | -57.9 | 0 | 0 | 116.7 | A11 A15 | A11-Q13 PolarHBondContact O-N 3.44Å; Q13-A15 PolarHBondContact O-N 2.86Å; Q13-A15 VanDerWaalsContact C-N 3.25Å |
| 14 | L | 48.8 | Very low | 56.3 | Low | 177 Ų | 177 | 117.7 Ų | 117.7 | 93% | 0.927 | 73% | 0.73 | S | S | * | * | | | trans | -82.1 | 82.4 | 148.1 | -58.9 | 176.9 | 0 | 0 | 0 | 107.5 | G16 | L14-G16 PolarHBondContact O-N 2.84Š|
| 15 | A | 48.4 | Very low | 57.3 | Low | 99 Ų | 99 | 113 Ų | 113 | 82% | 0.818 | 72% | 0.72 | S | S | * | * | | | trans | -66 | 87 | 159.7 | 0 | 0 | 0 | 0 | 0 | 107.1 | Q13 | Q13-A15 PolarHBondContact O-N 2.86Å; Q13-A15 VanDerWaalsContact C-N 3.25Å |
| 16 | G | 46 | Very low | 58.4 | Low | 45 Ų | 45 | 112.9 Ų | 112.9 | 46% | 0.464 | 71% | 0.711 | S | S | . | * | | | trans | -56 | 166.4 | 165 | 0 | 0 | 0 | 0 | 0 | 110.4 | L14 A18 | L14-G16 PolarHBondContact O-N 2.84Å; G16-A18 PolarHBondContact O-N 3.13Å |
| 17 | P | 45.2 | Very low | 60 | Low | 127 Ų | 127 | 106.8 Ų | 106.8 | 83% | 0.825 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -52.9 | 116.6 | -176.8 | 26 | -32.3 | 0 | 0 | 0 | 106.2 | A19 | P17-A19 VanDerWaalsContact C-N 3.26Å; P17-A19 VanDerWaalsContact O-CA 3.31Å; P17-A19 WeakPolarHBondContact O-CA 3.42Å; P17-A19 PolarHBondContact O-N 3.13Å |
| 18 | A | 52.9 | Low | 62.1 | Low | 96 Ų | 96 | 101.4 Ų | 101.4 | 79% | 0.793 | 66% | 0.663 | S | S | * | * | | | trans | -23.2 | 91.4 | -171.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | G16 E20 | G16-A18 PolarHBondContact O-N 3.13Å; A18-E20 VanDerWaalsContact C-N 3.33Å; A18-E20 WeakPolarHBondContact O-CA 3.4Å; A18-E20 PolarHBondContact O-N 3.44Å |
| 19 | A | 54 | Low | 63.7 | Low | 88 Ų | 88 | 96.6 Ų | 96.6 | 73% | 0.727 | 63% | 0.63 | S | S | * | * | | | trans | -56.5 | 110.6 | -173.9 | 0 | 0 | 0 | 0 | 0 | 102.3 | P17 A21 | P17-A19 VanDerWaalsContact C-N 3.26Å; P17-A19 VanDerWaalsContact O-CA 3.31Å; P17-A19 WeakPolarHBondContact O-CA 3.42Å; P17-A19 PolarHBondContact O-N 3.13Å; A19-A21 VanDerWaalsContact C-N 3.33Å; A19-A21 PolarHBondContact O-N 3.05Å; A19-A21 WeakPolarHBondContact O-CA 2.98Å |
| 20 | E | 55 | Low | 65.3 | Low | 191 Ų | 191 | 98.4 Ų | 98.4 | 89% | 0.893 | 63% | 0.629 | S | S | * | * | | | trans | -39.7 | 106 | -164.9 | -72.1 | -161 | 87 | 0 | 0 | 106.6 | A18 D22 | A18-E20 VanDerWaalsContact C-N 3.33Å; A18-E20 WeakPolarHBondContact O-CA 3.4Å; A18-E20 PolarHBondContact O-N 3.44Å; E20-D22 VanDerWaalsContact C-N 3.31Å; E20-D22 WeakPolarHBondContact O-CA 3.42Å; E20-D22 PolarHBondContact O-N 2.74Å |
| 21 | A | 65.1 | Low | 67.6 | Low | 89 Ų | 89 | 101.5 Ų | 101.5 | 74% | 0.736 | 64% | 0.635 | S | S | * | * | | | trans | -58.3 | 104.7 | -155.3 | 0 | 0 | 0 | 0 | 0 | 105.8 | A19 P23 | A19-A21 VanDerWaalsContact C-N 3.33Å; A19-A21 PolarHBondContact O-N 3.05Å; A19-A21 WeakPolarHBondContact O-CA 2.98Å; A21-P23 WeakPolarHBondContact O-CA 3.22Å; A21-P23 WeakPolarHBondContact O-CD 3.29Å |
| 22 | D | 78.6 | Confident | 70 | Confident | 98 Ų | 98 | 99.8 Ų | 99.8 | 52% | 0.524 | 62% | 0.615 | S | S | . | * | | | trans | -54 | 108.4 | -169.7 | 166.5 | -114.2 | 0 | 0 | 0 | 105 | E20 L24 G25 | E20-D22 VanDerWaalsContact C-N 3.31Å; E20-D22 WeakPolarHBondContact O-CA 3.42Å; E20-D22 PolarHBondContact O-N 2.74Å; D22-L24 PolarHBondContact O-N 3.2Å; D22-G25 PolarHBondContact O-N 2.77Å; D22-G25 WeakPolarHBondContact OD1-CA 3.4Å; D22-G25 PolarHBondContact OD1-N 2.87Å |
| 23 | P | 80.1 | Confident | 72.1 | Confident | 85 Ų | 85 | 103 Ų | 103 | 55% | 0.552 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.7 | -14.9 | -163.8 | 23.9 | -33.1 | 0 | 0 | 0 | 110.8 | A21 R26 F27 | A21-P23 WeakPolarHBondContact O-CA 3.22Å; A21-P23 WeakPolarHBondContact O-CD 3.29Å; P23-R26 PolarHBondContact O-NE 3.13Å; P23-F27 WeakPolarHBondContact O-CD2 3.11Å |
| 24 | L | 84.8 | Confident | 74 | Confident | 80 Ų | 80 | 101.4 Ų | 101.4 | 42% | 0.419 | 62% | 0.615 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -88.6 | -18.4 | 177.4 | -58.6 | 179.2 | 0 | 0 | 0 | 113.3 | D22 R26 F27 T28 V35 | D22-L24 PolarHBondContact O-N 3.2Å; L24-R26 PolarHBondContact O-N 2.95Å; L24-R26 VanDerWaalsContact O-N 3.13Å; L24-F27 CarbonylContact O-C 3.33Å; L24-F27 VanDerWaalsContact O-CA 3.29Å; L24-F27 WeakPolarHBondContact O-CA 3.33Å; L24-F27 PolarHBondContact O-N 3Å; L24-T28 PolarHBondContact O-N 2.92Å; L24-T28 VanDerWaalsContact O-OG1 3.05Å; L24-T28 VanDerWaalsContact O-N 3.13Å; L24-T28 PolarHBondContact O-OG1 2.93Å; L24-V35 HydrophobicContact CD1-CG2 4.32Å; L24-V35 HydrophobicContact CB-CG2 4.28Å |
| 25 | G | 86.1 | Confident | 76.1 | Confident | 43 Ų | 43 | 96.5 Ų | 96.5 | 44% | 0.443 | 59% | 0.592 | S | S | . | * | G | 310 helix | trans | -59.8 | -31.3 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | D22 F27 | D22-G25 PolarHBondContact O-N 2.77Å; D22-G25 WeakPolarHBondContact OD1-CA 3.4Å; D22-G25 PolarHBondContact OD1-N 2.87Å; G25-F27 VanDerWaalsContact C-N 3.27Å; G25-F27 PolarHBondContact O-N 3.38Å |
| 26 | R | 84.9 | Confident | 78.1 | Confident | 193 Ų | 193 | 96.1 Ų | 96.1 | 73% | 0.728 | 57% | 0.57 | S | S | * | * | G | 310 helix | trans | -74.1 | -13.2 | 172.2 | 65 | -177.7 | 171.8 | 164.1 | 4 | 114.5 | P23 L24 | P23-R26 PolarHBondContact O-NE 3.13Å; L24-R26 PolarHBondContact O-N 2.95Å; L24-R26 VanDerWaalsContact O-N 3.13Å |
| 27 | F | 89.7 | Confident | 80.2 | Confident | 66 Ų | 66 | 103.4 Ų | 103.4 | 29% | 0.289 | 59% | 0.592 | S | S | . | * | G | 310 helix | trans | -115.6 | 12.8 | -178.4 | -56.1 | -59.1 | 0 | 0 | 0 | 112.7 | P23 L24 G25 V35 Y36 P39 | P23-F27 WeakPolarHBondContact O-CD2 3.11Å; L24-F27 CarbonylContact O-C 3.33Å; L24-F27 VanDerWaalsContact O-CA 3.29Å; L24-F27 WeakPolarHBondContact O-CA 3.33Å; L24-F27 PolarHBondContact O-N 3Å; G25-F27 VanDerWaalsContact C-N 3.27Å; G25-F27 PolarHBondContact O-N 3.38Å; F27-V35 HydrophobicContact CB-CG1 4.28Å; F27-V35 CarbonylContact O-C 3.59Å; F27-V35 WeakPolarHBondContact O-CA 3.08Å; F27-Y36 PolarHBondContact O-N 2.66Å; F27-Y36 WeakPolarHBondContact O-CD2 3.47Å; F27-Y36 VanDerWaalsContact C-CD2 3.45Å; F27-P39 HydrophobicContact CD1-CB 4.06Å; F27-P39 HydrophobicContact CE1-CB 4.4Å |
| 28 | T | 91 | Very high | 82.2 | Confident | 41 Ų | 41 | 106 Ų | 106 | 25% | 0.252 | 59% | 0.59 | S | S | . | * | B | Isolated β-bridge | trans | -98.6 | 135.1 | 178.7 | -60.4 | 0 | 0 | 0 | 0 | 110.6 | L24 E34 | L24-T28 PolarHBondContact O-N 2.92Å; L24-T28 VanDerWaalsContact O-OG1 3.05Å; L24-T28 VanDerWaalsContact O-N 3.13Å; L24-T28 PolarHBondContact O-OG1 2.93Å; T28-E34 WeakPolarHBondContact CA-O 3.44Å |
| 29 | C | 88.6 | Confident | 83.7 | Confident | 22 Ų | 22 | 105.5 Ų | 105.5 | 15% | 0.149 | 58% | 0.579 | C | S | . | * | | | trans | -70.6 | 122.5 | 172.3 | 179.9 | 0 | 0 | 0 | 0 | 110 | V31 C32 L33 E34 Y36 | C29-V31 PolarHBondContact O-N 2.68Å; C29-V31 VanDerWaalsContact O-N 3.13Å; C29-C32 HydrophobicContact CB-CB 4.23Å; C29-L33 PolarHBondContact O-N 2.78Å; C29-L33 WeakPolarHBondContact O-CA 3.42Å; C29-L33 VanDerWaalsContact O-CA 3.22Å; C29-E34 PolarHBondContact N-O 2.72Å; C29-Y36 WeakPolarHBondContact CA-OH 3.31Å; C29-Y36 HydrophobicContact CB-CD1 4.4Å; C29-Y36 HydrophobicContact CB-CE1 3.66Å |
| 30 | P | 86.6 | Confident | 84.9 | Confident | 110 Ų | 110 | 106.4 Ų | 106.4 | 71% | 0.714 | 58% | 0.575 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.3 | -11.8 | -179.6 | 28.8 | -35.7 | 0 | 0 | 0 | 113.5 | | |
| 31 | V | 91.6 | Very high | 86.3 | Confident | 126 Ų | 126 | 107 Ų | 107 | 76% | 0.764 | 58% | 0.578 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.7 | -51.9 | 178.9 | -177 | 0 | 0 | 0 | 0 | 110.8 | C29 | C29-V31 PolarHBondContact O-N 2.68Å; C29-V31 VanDerWaalsContact O-N 3.13Å |
| 32 | C | 93.4 | Very high | 87.1 | Confident | 78 Ų | 78 | 108.3 Ų | 108.3 | 53% | 0.527 | 58% | 0.576 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -87.2 | -18.8 | -176.3 | -51.8 | 0 | 0 | 0 | 0 | 113 | C29 E34 | C29-C32 HydrophobicContact CB-CB 4.23Å; C32-E34 HydrophobicContact CB-CB 4.38Å; C32-E34 HydrophobicContact CB-CG 4.39Å; C32-E34 PolarHBondContact O-N 3.1Å |
| 33 | L | 90.6 | Very high | 87.5 | Confident | 139 Ų | 139 | 109.3 Ų | 109.3 | 73% | 0.728 | 59% | 0.588 | S | S | * | * | | | trans | 59.8 | 22.5 | -171.6 | -51.1 | -180 | 0 | 0 | 0 | 114.1 | C29 | C29-L33 PolarHBondContact O-N 2.78Å; C29-L33 WeakPolarHBondContact O-CA 3.42Å; C29-L33 VanDerWaalsContact O-CA 3.22Å |
| 34 | E | 92.4 | Very high | 87.8 | Confident | 137 Ų | 137 | 110 Ų | 110 | 64% | 0.64 | 59% | 0.594 | S | S | * | * | | | trans | -107.2 | 153.1 | 177.2 | -66 | -177.8 | 118.6 | 0 | 0 | 111.3 | T28 C29 C32 | T28-E34 WeakPolarHBondContact CA-O 3.44Å; C29-E34 PolarHBondContact N-O 2.72Å; C32-E34 HydrophobicContact CB-CB 4.38Å; C32-E34 HydrophobicContact CB-CG 4.39Å; C32-E34 PolarHBondContact O-N 3.1Å |
| 35 | V | 92.4 | Very high | 87.9 | Confident | 73 Ų | 73 | 109.5 Ų | 109.5 | 44% | 0.442 | 61% | 0.608 | S | S | . | * | B | Isolated β-bridge | trans | -73.9 | 133.9 | 175.2 | 179.8 | 0 | 0 | 0 | 0 | 109.8 | L24 F27 E37 | L24-V35 HydrophobicContact CD1-CG2 4.32Å; L24-V35 HydrophobicContact CB-CG2 4.28Å; F27-V35 HydrophobicContact CB-CG1 4.28Å; F27-V35 CarbonylContact O-C 3.59Å; F27-V35 WeakPolarHBondContact O-CA 3.08Å; V35-E37 PolarHBondContact O-N 3.26Å |
| 36 | Y | 90.9 | Very high | 88.2 | Confident | 91 Ų | 91 | 114.8 Ų | 114.8 | 36% | 0.357 | 62% | 0.621 | S | S | . | * | | | trans | -61.9 | 124.8 | 175.7 | -62.4 | -63.9 | 0 | 0 | 0 | 111.3 | F27 C29 K38 | F27-Y36 PolarHBondContact O-N 2.66Å; F27-Y36 WeakPolarHBondContact O-CD2 3.47Å; F27-Y36 VanDerWaalsContact C-CD2 3.45Å; C29-Y36 WeakPolarHBondContact CA-OH 3.31Å; C29-Y36 HydrophobicContact CB-CD1 4.4Å; C29-Y36 HydrophobicContact CB-CE1 3.66Å; Y36-K38 PolarHBondContact O-N 2.87Å |
| 37 | E | 90.2 | Very high | 88.4 | Confident | 198 Ų | 198 | 111.5 Ų | 111.5 | 93% | 0.925 | 62% | 0.622 | S | S | * | * | S | Bend | trans | -64.4 | -33.1 | 171.3 | -64.7 | -178.9 | 92.7 | 0 | 0 | 112.1 | V35 | V35-E37 PolarHBondContact O-N 3.26Š|
| 38 | K | 88.5 | Confident | 88 | Confident | 182 Ų | 182 | 116.5 Ų | 116.5 | 79% | 0.791 | 65% | 0.652 | S | S | * | * | S | Bend | trans | -136.1 | 98.8 | 176.4 | -71.2 | 176.6 | -175.3 | 167 | 0 | 108.6 | Y36 V40 | Y36-K38 PolarHBondContact O-N 2.87Å; K38-V40 PolarHBondContact O-N 2.9Å |
| 39 | P | 82.6 | Confident | 87 | Confident | 85 Ų | 85 | 124 Ų | 124 | 55% | 0.552 | 70% | 0.697 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 135.6 | -176.2 | 25.1 | -32.9 | 0 | 0 | 0 | 110.5 | F27 | F27-P39 HydrophobicContact CD1-CB 4.06Å; F27-P39 HydrophobicContact CE1-CB 4.4Å |
| 40 | V | 79.4 | Confident | 86.9 | Confident | 107 Ų | 107 | 129.1 Ų | 129.1 | 65% | 0.648 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -102 | 147.4 | 175.2 | -64.6 | 0 | 0 | 0 | 0 | 110.1 | K38 V42 | K38-V40 PolarHBondContact O-N 2.9Å; V40-V42 HydrophobicContact CG2-CG1 4.45Å |
| 41 | Q | 85.4 | Confident | 87 | Confident | 203 Ų | 203 | 130.1 Ų | 130.1 | 95% | 0.949 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -84.3 | 128.2 | 173.2 | -67.4 | -179.4 | 88.6 | 0 | 0 | 109.1 | | |
| 42 | V | 81.8 | Confident | 86.7 | Confident | 117 Ų | 117 | 130.3 Ų | 130.3 | 71% | 0.709 | 72% | 0.723 | S | S | * | * | | | trans | -114 | 142.3 | 175.3 | -64.6 | 0 | 0 | 0 | 0 | 109.9 | V40 | V40-V42 HydrophobicContact CG2-CG1 4.45Š|
| 43 | P | 86.1 | Confident | 86.3 | Confident | 120 Ų | 120 | 133.4 Ų | 133.4 | 78% | 0.779 | 73% | 0.734 | S | S | * | * | | | trans | -60.9 | 145 | 169 | 27.5 | -33.3 | 0 | 0 | 0 | 109.1 | G45 | P43-G45 PolarHBondContact O-N 3.29Š|
| 44 | C | 86.3 | Confident | 86 | Confident | 100 Ų | 100 | 133 Ų | 133 | 68% | 0.676 | 74% | 0.735 | S | S | * | * | | | trans | -70.4 | 0.4 | -174 | 62.2 | 0 | 0 | 0 | 0 | 114.4 | H46 | C44-H46 PolarHBondContact O-CE1 3.08Å; C44-H46 PolarHBondContact O-N 2.71Å; C44-H46 PolarHBondContact O-ND1 3.21Å |
| 45 | G | 87.3 | Confident | 85.6 | Confident | 69 Ų | 69 | 132.7 Ų | 132.7 | 71% | 0.711 | 74% | 0.741 | S | S | * | * | | | trans | 66.9 | -4.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | P43 | P43-G45 PolarHBondContact O-N 3.29Š|
| 46 | H | 93 | Very high | 85.1 | Confident | 154 Ų | 154 | 137 Ų | 137 | 71% | 0.713 | 76% | 0.762 | S | S | * | * | | | trans | -71.1 | 131.2 | 178.2 | -62.8 | 93.5 | 0 | 0 | 0 | 110.2 | C44 | C44-H46 PolarHBondContact O-CE1 3.08Å; C44-H46 PolarHBondContact O-N 2.71Å; C44-H46 PolarHBondContact O-ND1 3.21Å |
| 47 | V | 89.8 | Confident | 84.7 | Confident | 124 Ų | 124 | 140.5 Ų | 140.5 | 75% | 0.752 | 79% | 0.793 | S | S | * | * | | | trans | -91.5 | 118.2 | 170.7 | -179.1 | 0 | 0 | 0 | 0 | 107.3 | V49 | V47-V49 HydrophobicContact CG1-CB 4.48Å; V47-V49 PolarHBondContact O-N 3.44Å; V47-V49 VanDerWaalsContact O-N 3.1Å |
| 48 | N | 80.7 | Confident | 84.2 | Confident | 170 Ų | 170 | 135.8 Ų | 135.8 | 91% | 0.909 | 78% | 0.782 | S | S | * | * | | | trans | -76.6 | 93.8 | 169.7 | -101 | 31.5 | 0 | 0 | 0 | 108.3 | | |
| 49 | V | 69.8 | Low | 83.8 | Confident | 198 Ų | 198 | 131.5 Ų | 131.5 | 100% | 1.2 | 78% | 0.782 | S | S | * | * | | | trans | -117.8 | 0 | 165.8 | 62.7 | 0 | 0 | 0 | 0 | 109.3 | V47 | V47-V49 HydrophobicContact CG1-CB 4.48Å; V47-V49 PolarHBondContact O-N 3.44Å; V47-V49 VanDerWaalsContact O-N 3.1Å |