| 1 | M | 42.4 | Very low | 44.6 | Very low | 226 Ų | 226 | 148.8 Ų | 148.8 | 100% | 1.113 | 81% | 0.813 | S | S | * | * | | | | 0 | 86.8 | 0 | -66.3 | 165 | 173 | 0 | 0 | 106.4 | | |
| 2 | Q | 43.6 | Very low | 44.6 | Very low | 159 Ų | 159 | 149.9 Ų | 149.9 | 74% | 0.743 | 82% | 0.817 | S | S | * | * | | | | 85.2 | 104.5 | 101.6 | -113.8 | 94.7 | 14.6 | 0 | 0 | 110.7 | | |
| 3 | L | 44.4 | Very low | 44.6 | Very low | 155 Ų | 155 | 153.8 Ų | 153.8 | 81% | 0.812 | 82% | 0.822 | S | S | * | * | | | | 68.3 | 114.4 | 105.2 | -65.9 | 177 | 0 | 0 | 0 | 111.2 | | |
| 4 | G | 38.7 | Very low | 44.6 | Very low | 80 Ų | 80 | 157.6 Ų | 157.6 | 83% | 0.825 | 82% | 0.819 | S | S | * | * | | | | 83.8 | 95.6 | 51.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | | |
| 5 | G | 47.3 | Very low | 44.7 | Very low | 69 Ų | 69 | 154.5 Ų | 154.5 | 71% | 0.711 | 82% | 0.815 | S | S | * | * | | | trans | -179.9 | 98.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 6 | K | 51.8 | Low | 44.8 | Very low | 193 Ų | 193 | 151.7 Ų | 151.7 | 84% | 0.839 | 80% | 0.801 | S | S | * | * | | | | 77.4 | 106.9 | 111.6 | -71.7 | -175.5 | 178.1 | 178.7 | 0 | 114.2 | | |
| 7 | L | 46.6 | Very low | 44.9 | Very low | 144 Ų | 144 | 156.6 Ų | 156.6 | 75% | 0.754 | 81% | 0.808 | S | S | * | * | | | | 97.7 | 117.1 | 87.5 | -84.5 | 163.3 | 0 | 0 | 0 | 111.1 | | |
| 8 | V | 45.6 | Very low | 45 | Very low | 121 Ų | 121 | 153.7 Ų | 153.7 | 73% | 0.733 | 80% | 0.804 | S | S | * | * | | | trans | 56.6 | 108.4 | 139.2 | -162 | 0 | 0 | 0 | 0 | 117.7 | | |
| 9 | N | 40.9 | Very low | 44.9 | Very low | 142 Ų | 142 | 148.9 Ų | 148.9 | 76% | 0.759 | 80% | 0.796 | S | S | * | * | | | | -171.3 | 136.6 | 109.8 | -129.1 | -19 | 0 | 0 | 0 | 113.2 | | |
| 10 | S | 40.9 | Very low | 45.3 | Very low | 105 Ų | 105 | 153 Ų | 153 | 73% | 0.734 | 80% | 0.801 | S | S | * | * | | | trans | 7.6 | 113.8 | 156.9 | -71.7 | 0 | 0 | 0 | 0 | 118.6 | | |
| 11 | R | 48.9 | Very low | 45.1 | Very low | 243 Ų | 243 | 149.4 Ų | 149.4 | 92% | 0.917 | 80% | 0.801 | S | S | * | * | | | trans | -169.4 | 87 | 155.5 | -102.4 | 161.3 | -154.5 | -173.8 | 7.1 | 111 | | |
| 12 | N | 44.7 | Very low | 45.4 | Very low | 162 Ų | 162 | 144.2 Ų | 144.2 | 87% | 0.866 | 79% | 0.787 | S | S | * | * | | | trans | -180 | 109.4 | 156.4 | -113.7 | -9.8 | 0 | 0 | 0 | 105.7 | | |
| 13 | K | 44.1 | Very low | 45.4 | Very low | 201 Ų | 201 | 142.1 Ų | 142.1 | 87% | 0.874 | 79% | 0.79 | S | S | * | * | | | cis | -138.7 | 126.2 | 48.6 | -74.1 | 171.5 | 173.7 | 178 | 0 | 110.3 | | |
| 14 | R | 43.9 | Very low | 45.6 | Very low | 207 Ų | 207 | 139.9 Ų | 139.9 | 78% | 0.781 | 78% | 0.782 | S | S | * | * | | | trans | -77.2 | 107.5 | 166.5 | -173.1 | -177.6 | -80.6 | -161.5 | -9.2 | 106.6 | D16 | R14-D16 WeakPolarHBondContact CD-OD2 3.21Å; R14-D16 VanDerWaalsContact CG-CG 3.4Å; R14-D16 WeakPolarHBondContact CG-OD1 3.02Å; R14-D16 WeakPolarHBondContact CG-OD2 3.2Å |
| 15 | S | 46.1 | Very low | 45.5 | Very low | 110 Ų | 110 | 145.4 Ų | 145.4 | 77% | 0.769 | 79% | 0.786 | S | S | * | * | | | trans | -101 | 81.4 | 160.6 | 59.5 | 0 | 0 | 0 | 0 | 107 | Y17 | S15-Y17 VanDerWaalsContact C-N 3.32Å; S15-Y17 PolarHBondContact O-N 3.21Å |
| 16 | D | 47.5 | Very low | 45.4 | Very low | 110 Ų | 110 | 149.1 Ų | 149.1 | 59% | 0.588 | 79% | 0.789 | S | S | * | * | | | trans | -65.2 | 92.7 | 167.6 | -66.2 | -35.8 | 0 | 0 | 0 | 108.1 | R14 S18 | R14-D16 WeakPolarHBondContact CD-OD2 3.21Å; R14-D16 VanDerWaalsContact CG-CG 3.4Å; R14-D16 WeakPolarHBondContact CG-OD1 3.02Å; R14-D16 WeakPolarHBondContact CG-OD2 3.2Å; D16-S18 VanDerWaalsContact C-N 3.25Å; D16-S18 PolarHBondContact O-N 3.18Å |
| 17 | Y | 45.6 | Very low | 44.9 | Very low | 235 Ų | 235 | 146 Ų | 146 | 92% | 0.922 | 79% | 0.791 | S | S | * | * | | | trans | -90 | 75.8 | 155.3 | -113.7 | -89.4 | 0 | 0 | 0 | 107.6 | S15 | S15-Y17 VanDerWaalsContact C-N 3.32Å; S15-Y17 PolarHBondContact O-N 3.21Å |
| 18 | S | 46.5 | Very low | 44.8 | Very low | 105 Ų | 105 | 142.2 Ų | 142.2 | 73% | 0.734 | 79% | 0.788 | S | S | * | * | | | trans | -110.6 | 108.4 | 165.9 | 51.9 | 0 | 0 | 0 | 0 | 106.7 | D16 | D16-S18 VanDerWaalsContact C-N 3.25Å; D16-S18 PolarHBondContact O-N 3.18Å |
| 19 | G | 43.6 | Very low | 44.7 | Very low | 62 Ų | 62 | 142.1 Ų | 142.1 | 64% | 0.639 | 79% | 0.79 | S | S | * | * | | | trans | 167.2 | 40.6 | -175.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 20 | Y | 52 | Low | 45 | Very low | 231 Ų | 231 | 142.1 Ų | 142.1 | 91% | 0.906 | 79% | 0.79 | S | S | * | * | | | trans | -142.5 | 110.1 | 153 | -94.1 | -79.9 | 0 | 0 | 0 | 108.2 | S22 | Y20-S22 PolarHBondContact O-N 2.96Š|
| 21 | G | 41.7 | Very low | 45.2 | Very low | 77 Ų | 77 | 147.6 Ų | 147.6 | 79% | 0.794 | 80% | 0.796 | S | S | * | * | | | trans | -73.6 | 116.7 | -170.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 22 | S | 48.1 | Very low | 44.8 | Very low | 118 Ų | 118 | 139.6 Ų | 139.6 | 83% | 0.825 | 79% | 0.789 | S | S | * | * | | | trans | -144.4 | 60.8 | 150.5 | -58.8 | 0 | 0 | 0 | 0 | 107 | Y20 V24 | Y20-S22 PolarHBondContact O-N 2.96Å; S22-V24 VanDerWaalsContact C-N 3.35Å; S22-V24 PolarHBondContact O-N 3.12Å; S22-V24 VanDerWaalsContact O-N 3.07Å |
| 23 | S | 45 | Very low | 44.8 | Very low | 114 Ų | 114 | 141 Ų | 141 | 80% | 0.797 | 79% | 0.791 | S | S | * | * | | | trans | -73.6 | 96.2 | 166.8 | 49.7 | 0 | 0 | 0 | 0 | 108.1 | | |
| 24 | V | 48.3 | Very low | 45.1 | Very low | 108 Ų | 108 | 137.2 Ų | 137.2 | 66% | 0.655 | 78% | 0.784 | S | S | * | * | | | | 34.9 | 114 | 125.2 | -171 | 0 | 0 | 0 | 0 | 115.1 | S22 L26 | S22-V24 VanDerWaalsContact C-N 3.35Å; S22-V24 PolarHBondContact O-N 3.12Å; S22-V24 VanDerWaalsContact O-N 3.07Å; V24-L26 HydrophobicContact CG1-CD1 4.44Å; V24-L26 HydrophobicContact CG1-CG 4.06Å; V24-L26 PolarHBondContact O-N 2.8Å |
| 25 | Q | 36.1 | Very low | 45.3 | Very low | 196 Ų | 196 | 131.3 Ų | 131.3 | 92% | 0.916 | 78% | 0.779 | S | S | * | * | | | trans | -49.3 | 108 | 158.3 | -66.8 | 167.7 | -53.5 | 0 | 0 | 109.9 | | |
| 26 | L | 45.9 | Very low | 45.5 | Very low | 148 Ų | 148 | 131.8 Ų | 131.8 | 78% | 0.775 | 78% | 0.781 | S | S | * | * | | | trans | -129.3 | 100.9 | 161.1 | -76.3 | 171.9 | 0 | 0 | 0 | 107.9 | V24 G28 | V24-L26 HydrophobicContact CG1-CD1 4.44Å; V24-L26 HydrophobicContact CG1-CG 4.06Å; V24-L26 PolarHBondContact O-N 2.8Å; L26-G28 PolarHBondContact O-N 3.41Å |
| 27 | S | 40.4 | Very low | 46 | Very low | 126 Ų | 126 | 128.4 Ų | 128.4 | 88% | 0.881 | 77% | 0.766 | S | S | * | * | | | trans | 2.7 | 106.3 | 158.3 | 55.6 | 0 | 0 | 0 | 0 | 117.5 | | |
| 28 | G | 44.8 | Very low | 46.8 | Very low | 66 Ų | 66 | 121.9 Ų | 121.9 | 68% | 0.68 | 75% | 0.75 | S | S | * | * | | | trans | -134.2 | 132.6 | 153.7 | 0 | 0 | 0 | 0 | 0 | 108.4 | L26 | L26-G28 PolarHBondContact O-N 3.41Š|
| 29 | P | 44.3 | Very low | 47.4 | Very low | 118 Ų | 118 | 118.8 Ų | 118.8 | 77% | 0.766 | 73% | 0.728 | S | S | * | * | | | trans | -78.6 | 146.5 | -175.8 | 33.5 | -31.9 | 0 | 0 | 0 | 109.8 | | |
| 30 | N | 46.1 | Very low | 48.4 | Very low | 143 Ų | 143 | 121.5 Ų | 121.5 | 77% | 0.765 | 72% | 0.724 | S | S | * | * | | | trans | 78 | 95.4 | 174.5 | -63.2 | -81.9 | 0 | 0 | 0 | 116.4 | | |
| 31 | Y | 45.4 | Very low | 49 | Very low | 220 Ų | 220 | 117.8 Ų | 117.8 | 86% | 0.863 | 72% | 0.715 | S | S | * | * | | | | 164.3 | 100.9 | 112.1 | -103.4 | -91.5 | 0 | 0 | 0 | 108.7 | Q33 | Y31-Q33 PolarHBondContact O-N 3.48Š|
| 32 | G | 39.9 | Very low | 50.1 | Low | 75 Ų | 75 | 114.5 Ų | 114.5 | 77% | 0.773 | 68% | 0.681 | S | S | * | * | | | trans | 44.7 | 37.1 | 143.1 | 0 | 0 | 0 | 0 | 0 | 120.6 | V34 | G32-V34 VanDerWaalsContact C-N 3.33Å; G32-V34 PolarHBondContact O-N 3.31Å |
| 33 | Q | 45.4 | Very low | 51 | Low | 192 Ų | 192 | 112.2 Ų | 112.2 | 90% | 0.897 | 66% | 0.664 | S | S | * | * | | | trans | -73.5 | 95.4 | 166.9 | -72.7 | -174.6 | 23 | 0 | 0 | 108.7 | Y31 A35 | Y31-Q33 PolarHBondContact O-N 3.48Å; Q33-A35 PolarHBondContact O-N 3.48Å; Q33-A35 VanDerWaalsContact O-N 3.13Å |
| 34 | V | 49.6 | Very low | 52.2 | Low | 121 Ų | 121 | 111.2 Ų | 111.2 | 73% | 0.733 | 65% | 0.654 | S | S | * | * | | | trans | -40.8 | 118.5 | 162.5 | -171 | 0 | 0 | 0 | 0 | 107.3 | G32 C36 | G32-V34 VanDerWaalsContact C-N 3.33Å; G32-V34 PolarHBondContact O-N 3.31Å; V34-C36 VanDerWaalsContact C-N 3.33Å; V34-C36 PolarHBondContact O-N 3.06Å |
| 35 | A | 48 | Very low | 53.2 | Low | 83 Ų | 83 | 106.6 Ų | 106.6 | 69% | 0.686 | 63% | 0.629 | S | S | * | * | | | trans | -55.6 | 100.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 107.8 | Q33 C37 | Q33-A35 PolarHBondContact O-N 3.48Å; Q33-A35 VanDerWaalsContact O-N 3.13Å; A35-C37 PolarHBondContact O-N 3.5Å; A35-C37 VanDerWaalsContact O-N 3.15Å |
| 36 | C | 52.3 | Low | 55 | Low | 120 Ų | 120 | 100.9 Ų | 100.9 | 81% | 0.811 | 61% | 0.611 | S | S | * | * | | | trans | -59.2 | 122.1 | 176.3 | -95.5 | 0 | 0 | 0 | 0 | 106.9 | V34 T38 | V34-C36 VanDerWaalsContact C-N 3.33Å; V34-C36 PolarHBondContact O-N 3.06Å; C36-T38 PolarHBondContact O-N 3.07Å |
| 37 | C | 57.7 | Low | 56.3 | Low | 39 Ų | 39 | 98.4 Ų | 98.4 | 26% | 0.264 | 60% | 0.603 | S | S | . | * | | | trans | -38.8 | 126.4 | 175.8 | -46 | 0 | 0 | 0 | 0 | 109 | A35 C39 L74 C84 | A35-C37 PolarHBondContact O-N 3.5Å; A35-C37 VanDerWaalsContact O-N 3.15Å; C37-C39 PolarHBondContact O-N 3Å; C37-L74 HydrophobicContact CB-CD2 3.6Å; C37-C84 HydrophobicContact CB-CB 4.32Å; C37-C84 WeakPolarHBondContact CB-SG 3.13Å; C37-C84 VanDerWaalsContact SG-CA 3.53Å; C37-C84 WeakPolarHBondContact SG-CB 3.21Å; C37-C84 CovalentContact SG-SG 2.06Å; C37-C84 PolarHBondContact SG-SG 2.91Å |
| 38 | T | 61.1 | Low | 57.7 | Low | 97 Ų | 97 | 92.8 Ų | 92.8 | 60% | 0.595 | 57% | 0.566 | S | S | * | * | | | trans | -62.5 | 91.3 | 177.1 | 43.5 | 0 | 0 | 0 | 0 | 108.4 | C36 Q40 | C36-T38 PolarHBondContact O-N 3.07Å; T38-Q40 PolarHBondContact O-N 3.42Å |
| 39 | C | 60.6 | Low | 59 | Low | 40 Ų | 40 | 97 Ų | 97 | 27% | 0.27 | 57% | 0.565 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -85.6 | 104.8 | -178.7 | -175.1 | 0 | 0 | 0 | 0 | 107.6 | C37 Q41 C87 | C37-C39 PolarHBondContact O-N 3Å; C39-Q41 PolarHBondContact O-N 2.79Å; C39-C87 VanDerWaalsContact CA-SG 3.58Å; C39-C87 HydrophobicContact CB-CB 4.31Å; C39-C87 WeakPolarHBondContact CB-SG 3.01Å; C39-C87 WeakPolarHBondContact SG-CB 3.13Å; C39-C87 CovalentContact SG-SG 2.03Å; C39-C87 PolarHBondContact SG-SG 3.43Å |
| 40 | Q | 62.8 | Low | 60 | Low | 119 Ų | 119 | 95.9 Ų | 95.9 | 56% | 0.556 | 56% | 0.558 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -68.7 | 105.5 | 162.4 | -73 | -170.8 | 16.4 | 0 | 0 | 106.4 | T38 G42 G72 R73 L75 | T38-Q40 PolarHBondContact O-N 3.42Å; Q40-G42 PolarHBondContact O-N 3.13Å; Q40-G72 CarbonylContact O-C 3.49Å; Q40-G72 WeakPolarHBondContact O-CA 3.24Å; Q40-R73 PolarHBondContact N-O 3.39Å; Q40-R73 PolarHBondContact O-N 2.96Å; Q40-R73 VanDerWaalsContact O-N 3.14Å; Q40-L75 HydrophobicContact CG-CD1 4.1Å; Q40-L75 HydrophobicContact CG-CD2 4.26Å; Q40-L75 HydrophobicContact CG-CG 4.26Å |
| 41 | Q | 64.5 | Low | 61 | Low | 153 Ų | 153 | 89.4 Ų | 89.4 | 72% | 0.715 | 53% | 0.525 | S | S | * | . | P | Polyproline II helix | trans | -47.4 | 129.6 | 173.9 | -73.5 | -178.4 | 73.5 | 0 | 0 | 108.6 | C39 | C39-Q41 PolarHBondContact O-N 2.79Š|
| 42 | G | 65.4 | Low | 61.7 | Low | 8 Ų | 8 | 85.4 Ų | 85.4 | 8% | 0.082 | 51% | 0.514 | C | S | . | . | P | Polyproline II helix | trans | -60.8 | 149.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 108.9 | Q40 G72 | Q40-G42 PolarHBondContact O-N 3.13Å; G42-G72 VanDerWaalsContact N-CA 3.29Å |
| 43 | P | 68.3 | Low | 62.5 | Low | 70 Ų | 70 | 87.3 Ų | 87.3 | 46% | 0.455 | 51% | 0.507 | S | S | . | . | P | Polyproline II helix | trans | -57.4 | 151.9 | 172.2 | 30.2 | -37 | 0 | 0 | 0 | 109.5 | K70 | P43-K70 HydrophobicContact CG-CD 4.16Å; P43-K70 HydrophobicContact CG-CG 4.13Å |
| 44 | P | 68.9 | Low | 62.8 | Low | 93 Ų | 93 | 78.8 Ų | 78.8 | 60% | 0.604 | 47% | 0.47 | S | S | * | . | P | Polyproline II helix | trans | -48.9 | 152.7 | 175.9 | -27.2 | 34.6 | 0 | 0 | 0 | 112.8 | P91 | P44-P91 HydrophobicContact CG-CG 4.46Š|
| 45 | G | 70 | Confident | 62.6 | Low | 12 Ų | 12 | 77.2 Ų | 77.2 | 12% | 0.124 | 46% | 0.463 | C | S | . | . | P | Polyproline II helix | trans | -59.2 | 155.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | G93 | G45-G93 VanDerWaalsContact O-CA 3.24Å; G45-G93 WeakPolarHBondContact O-CA 3.26Å |
| 46 | S | 74.7 | Confident | 62.7 | Low | 76 Ų | 76 | 77.1 Ų | 77.1 | 53% | 0.531 | 45% | 0.452 | S | S | . | . | P | Polyproline II helix | trans | -60.5 | 140.2 | 173.5 | -50.5 | 0 | 0 | 0 | 0 | 109.8 | | |
| 47 | P | 71.9 | Confident | 62.5 | Low | 95 Ų | 95 | 73.8 Ų | 73.8 | 62% | 0.617 | 44% | 0.437 | S | S | * | . | P | Polyproline II helix | trans | -53.9 | 146.5 | 172.3 | -25.8 | 34.5 | 0 | 0 | 0 | 111.9 | D94 | P47-D94 WeakPolarHBondContact CA-O 3.09Š|
| 48 | G | 70.6 | Confident | 61.9 | Low | 9 Ų | 9 | 78.6 Ų | 78.6 | 9% | 0.093 | 45% | 0.454 | C | S | . | . | P | Polyproline II helix | trans | -59.2 | 157.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | G66 D94 G96 | G48-G66 VanDerWaalsContact CA-CA 3.45Å; G48-D94 PolarHBondContact N-O 3.42Å; G48-G96 WeakPolarHBondContact O-CA 3Å |
| 49 | K | 72.1 | Confident | 61.6 | Low | 153 Ų | 153 | 78.9 Ų | 78.9 | 67% | 0.665 | 46% | 0.457 | S | S | * | . | P | Polyproline II helix | trans | -65.6 | 144.6 | 176.7 | -65 | -177 | -178.9 | -179.2 | 0 | 109.4 | G63 P64 | K49-G63 WeakPolarHBondContact O-CA 2.89Å; K49-P64 HydrophobicContact CB-CG 4.08Å; K49-P64 HydrophobicContact CD-CG 4.34Å; K49-P64 HydrophobicContact CG-CG 4.46Å |
| 50 | P | 65.5 | Low | 61.4 | Low | 95 Ų | 95 | 77.9 Ų | 77.9 | 62% | 0.617 | 45% | 0.453 | S | S | * | . | P | Polyproline II helix | trans | -55.7 | 150.5 | 170.3 | -24.6 | 34.7 | 0 | 0 | 0 | 111.8 | L97 | P50-L97 VanDerWaalsContact CA-O 3.26Å; P50-L97 WeakPolarHBondContact CA-O 3.26Å |
| 51 | G | 66 | Low | 61.3 | Low | 7 Ų | 7 | 77.2 Ų | 77.2 | 7% | 0.072 | 45% | 0.453 | C | S | . | . | P | Polyproline II helix | trans | -63.1 | 159.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | N61 G63 L97 G99 | G51-N61 CarbonylContact C-O 3.46Å; G51-N61 WeakPolarHBondContact CA-O 3.18Å; G51-G63 VanDerWaalsContact CA-N 3.25Å; G51-L97 PolarHBondContact N-O 3.48Å; G51-G99 VanDerWaalsContact O-CA 3.26Å; G51-G99 WeakPolarHBondContact O-CA 3.19Å |
| 52 | E | 59.5 | Low | 61.3 | Low | 137 Ų | 137 | 75.3 Ų | 75.3 | 64% | 0.64 | 46% | 0.455 | S | S | * | . | P | Polyproline II helix | trans | -76 | 146 | 175.6 | -62.8 | -178.8 | 149.8 | 0 | 0 | 110.7 | G54 G60 N61 | E52-G54 PolarHBondContact O-N 3.21Å; E52-G60 CarbonylContact O-C 3.46Å; E52-G60 WeakPolarHBondContact O-CA 2.94Å; E52-N61 PolarHBondContact N-O 3.15Å; E52-N61 VanDerWaalsContact N-O 3.08Å; E52-N61 PolarHBondContact O-N 2.06Å |
| 53 | D | 57.7 | Low | 61.1 | Low | 115 Ų | 115 | 75.9 Ų | 75.9 | 62% | 0.615 | 46% | 0.46 | S | S | * | . | P | Polyproline II helix | trans | -63.7 | 130.8 | 177 | -63.6 | -0.6 | 0 | 0 | 0 | 110.7 | P100 | D53-P100 WeakPolarHBondContact OD1-CD 3.45Å; D53-P100 WeakPolarHBondContact OD1-CG 3.06Å |
| 54 | G | 50.7 | Low | 61.2 | Low | 12 Ų | 12 | 76.1 Ų | 76.1 | 12% | 0.124 | 46% | 0.462 | C | S | . | . | P | Polyproline II helix | trans | -74.5 | 150.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | E52 K58 G60 G102 | E52-G54 PolarHBondContact O-N 3.21Å; G54-K58 WeakPolarHBondContact CA-O 3.32Å; G54-G60 VanDerWaalsContact N-CA 3.32Å; G54-G102 WeakPolarHBondContact O-CA 3.42Å |
| 55 | C | 46.1 | Very low | 61.2 | Low | 88 Ų | 88 | 77.3 Ų | 77.3 | 60% | 0.595 | 47% | 0.47 | S | S | * | . | P | Polyproline II helix | trans | -66 | 153.6 | 168.2 | 59.9 | 0 | 0 | 0 | 0 | 111.3 | G57 K58 | C55-G57 PolarHBondContact O-N 3.46Å; C55-K58 PolarHBondContact O-N 3.08Å |
| 56 | D | 50.6 | Low | 60.9 | Low | 82 Ų | 82 | 77.6 Ų | 77.6 | 44% | 0.439 | 47% | 0.473 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -29.1 | 104.4 | 177 | -75.9 | -6 | 0 | 0 | 0 | 113.7 | G105 | D56-G105 VanDerWaalsContact CB-CA 3.47Š|
| 57 | G | 47.9 | Very low | 60.9 | Low | 49 Ų | 49 | 80.9 Ų | 80.9 | 51% | 0.505 | 48% | 0.479 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 87.9 | -0.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 117.5 | C55 | C55-G57 PolarHBondContact O-N 3.46Š|
| 58 | K | 45.9 | Very low | 60.8 | Low | 141 Ų | 141 | 80.2 Ų | 80.2 | 61% | 0.613 | 48% | 0.475 | S | S | * | . | S | Bend | trans | -114.7 | 136.8 | 172.5 | -67 | -178.4 | -174.6 | -75.2 | 0 | 110.9 | G54 C55 | G54-K58 WeakPolarHBondContact CA-O 3.32Å; C55-K58 PolarHBondContact O-N 3.08Å |
| 59 | P | 54.2 | Low | 60.7 | Low | 103 Ų | 103 | 79.8 Ų | 79.8 | 67% | 0.669 | 47% | 0.471 | S | S | * | . | P | Polyproline II helix | trans | -54.7 | 141.2 | 170.5 | -24.3 | 34.4 | 0 | 0 | 0 | 111.1 | | |
| 60 | G | 55.5 | Low | 60.5 | Low | 18 Ų | 18 | 79.2 Ų | 79.2 | 19% | 0.186 | 47% | 0.468 | C | S | . | . | P | Polyproline II helix | trans | -60.8 | 154.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | E52 G54 | E52-G60 CarbonylContact O-C 3.46Å; E52-G60 WeakPolarHBondContact O-CA 2.94Å; G54-G60 VanDerWaalsContact N-CA 3.32Å |
| 61 | N | 60.4 | Low | 60.6 | Low | 105 Ų | 105 | 78.4 Ų | 78.4 | 56% | 0.561 | 46% | 0.459 | S | S | * | . | P | Polyproline II helix | trans | -67.8 | 135.5 | 176.9 | -70.4 | -46.3 | 0 | 0 | 0 | 109.5 | G51 E52 G63 | G51-N61 CarbonylContact C-O 3.46Å; G51-N61 WeakPolarHBondContact CA-O 3.18Å; E52-N61 PolarHBondContact N-O 3.15Å; E52-N61 VanDerWaalsContact N-O 3.08Å; E52-N61 PolarHBondContact O-N 2.06Å; N61-G63 PolarHBondContact O-N 3.23Å |
| 62 | P | 64.5 | Low | 60.5 | Low | 114 Ų | 114 | 78.5 Ų | 78.5 | 74% | 0.74 | 46% | 0.46 | S | S | * | . | P | Polyproline II helix | trans | -53.3 | 140.6 | 170.5 | -24.7 | 34.1 | 0 | 0 | 0 | 110.8 | | |
| 63 | G | 62.2 | Low | 60.7 | Low | 19 Ų | 19 | 80.8 Ų | 80.8 | 20% | 0.196 | 46% | 0.462 | C | S | . | . | P | Polyproline II helix | trans | -66.6 | 159.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | K49 G51 N61 | K49-G63 WeakPolarHBondContact O-CA 2.89Å; G51-G63 VanDerWaalsContact CA-N 3.25Å; N61-G63 PolarHBondContact O-N 3.23Å |
| 64 | P | 70 | Confident | 60.8 | Low | 75 Ų | 75 | 78.4 Ų | 78.4 | 49% | 0.487 | 45% | 0.45 | S | S | . | . | P | Polyproline II helix | trans | -60 | 148.3 | 174.8 | 26.4 | -34.5 | 0 | 0 | 0 | 110.9 | K49 | K49-P64 HydrophobicContact CB-CG 4.08Å; K49-P64 HydrophobicContact CD-CG 4.34Å; K49-P64 HydrophobicContact CG-CG 4.46Å |
| 65 | P | 69.1 | Low | 61.2 | Low | 119 Ų | 119 | 81.4 Ų | 81.4 | 77% | 0.773 | 46% | 0.462 | S | S | * | . | P | Polyproline II helix | trans | -52 | 149.9 | 172.6 | -25.6 | 34.4 | 0 | 0 | 0 | 112.3 | | |
| 66 | G | 64.8 | Low | 61.7 | Low | 18 Ų | 18 | 81 Ų | 81 | 19% | 0.186 | 46% | 0.461 | C | S | . | . | P | Polyproline II helix | trans | -60.2 | 154.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | G48 | G48-G66 VanDerWaalsContact CA-CA 3.45Š|
| 67 | E | 73.7 | Confident | 61.9 | Low | 144 Ų | 144 | 81.3 Ų | 81.3 | 67% | 0.673 | 48% | 0.475 | S | S | * | . | P | Polyproline II helix | trans | -65.6 | 140.5 | 173.9 | -68.7 | -169.7 | 151.4 | 0 | 0 | 109.8 | | |
| 68 | P | 70.6 | Confident | 62.3 | Low | 82 Ų | 82 | 87.8 Ų | 87.8 | 53% | 0.532 | 49% | 0.492 | S | S | . | . | P | Polyproline II helix | trans | -54.2 | 144.2 | 173.3 | -27.6 | 36.4 | 0 | 0 | 0 | 112 | | |
| 69 | G | 67.5 | Low | 62.7 | Low | 0 Ų | 0 | 90 Ų | 90 | 0% | 0 | 50% | 0.504 | C | S | . | . | P | Polyproline II helix | trans | -54.1 | 150.2 | 177 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q89 | G69-Q89 WeakPolarHBondContact O-CG 3.45Å; G69-Q89 PolarHBondContact O-NE2 2.71Å; G69-Q89 VanDerWaalsContact O-NE2 3.09Å |
| 70 | K | 68.9 | Low | 62.5 | Low | 141 Ų | 141 | 87 Ų | 87 | 61% | 0.613 | 49% | 0.486 | S | S | * | . | P | Polyproline II helix | trans | -68.2 | 145.6 | 174.6 | 61.1 | -179.5 | 173.5 | -173.4 | 0 | 109.8 | P43 | P43-K70 HydrophobicContact CG-CD 4.16Å; P43-K70 HydrophobicContact CG-CG 4.13Å |
| 71 | N | 67.2 | Low | 62.4 | Low | 78 Ų | 78 | 92.9 Ų | 92.9 | 42% | 0.417 | 52% | 0.524 | S | S | . | . | B | Isolated β-bridge | trans | -59.6 | 146 | 173.5 | -62 | -20.8 | 0 | 0 | 0 | 109.5 | | |
| 72 | G | 63 | Low | 62.4 | Low | 9 Ų | 9 | 89.6 Ų | 89.6 | 9% | 0.093 | 51% | 0.514 | C | S | . | . | P | Polyproline II helix | trans | -55.8 | 149 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q40 G42 L74 C87 | Q40-G72 CarbonylContact O-C 3.49Å; Q40-G72 WeakPolarHBondContact O-CA 3.24Å; G42-G72 VanDerWaalsContact N-CA 3.29Å; G72-L74 PolarHBondContact O-N 3.37Å; G72-C87 VanDerWaalsContact O-CB 3.32Å; G72-C87 WeakPolarHBondContact O-CB 3.39Å; G72-C87 PolarHBondContact O-SG 3.46Å |
| 73 | R | 64.4 | Low | 62 | Low | 184 Ų | 184 | 90.2 Ų | 90.2 | 69% | 0.694 | 52% | 0.518 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 122.4 | 172.3 | -177.1 | 176.2 | 178.4 | -172.5 | 0 | 107.4 | Q40 L75 | Q40-R73 PolarHBondContact N-O 3.39Å; Q40-R73 PolarHBondContact O-N 2.96Å; Q40-R73 VanDerWaalsContact O-N 3.14Å; R73-L75 PolarHBondContact O-N 2.8Å |
| 74 | L | 59.3 | Low | 61.6 | Low | 66 Ų | 66 | 91.3 Ų | 91.3 | 35% | 0.346 | 52% | 0.523 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.7 | 115.8 | 162 | -71 | 169.7 | 0 | 0 | 0 | 106.8 | C37 G72 C84 | C37-L74 HydrophobicContact CB-CD2 3.6Å; G72-L74 PolarHBondContact O-N 3.37Å; L74-C84 HydrophobicContact CD1-CB 3.85Å; L74-C84 HydrophobicContact CD2-CB 4.04Å |
| 75 | L | 60.2 | Low | 61.1 | Low | 74 Ų | 74 | 96.1 Ų | 96.1 | 39% | 0.387 | 54% | 0.539 | S | S | . | . | | | trans | -60.1 | 140.7 | 166 | -63.4 | 178.4 | 0 | 0 | 0 | 107.9 | Q40 R73 | Q40-L75 HydrophobicContact CG-CD1 4.1Å; Q40-L75 HydrophobicContact CG-CD2 4.26Å; Q40-L75 HydrophobicContact CG-CG 4.26Å; R73-L75 PolarHBondContact O-N 2.8Å |
| 76 | S | 56.2 | Low | 60.9 | Low | 81 Ų | 81 | 100.9 Ų | 100.9 | 57% | 0.566 | 54% | 0.541 | S | S | * | . | | | trans | -45.7 | 144.5 | -163.2 | -63.8 | 0 | 0 | 0 | 0 | 114.1 | E78 | S76-E78 PolarHBondContact O-N 3.03Š|
| 77 | A | 53.5 | Low | 60.9 | Low | 88 Ų | 88 | 100.4 Ų | 100.4 | 73% | 0.727 | 54% | 0.535 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.5 | 29 | -171.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 78 | E | 56.3 | Low | 60.5 | Low | 185 Ų | 185 | 98.1 Ų | 98.1 | 86% | 0.864 | 53% | 0.533 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.3 | -10.7 | 177.6 | -71.6 | 179.5 | 92.6 | 0 | 0 | 112.7 | S76 | S76-E78 PolarHBondContact O-N 3.03Š|
| 79 | E | 55.1 | Low | 60.3 | Low | 188 Ų | 188 | 99.7 Ų | 99.7 | 88% | 0.879 | 53% | 0.533 | S | S | * | . | S | Bend | trans | -123.1 | 9.2 | -177.3 | -97.9 | 174.5 | 105 | 0 | 0 | 115.7 | | |
| 80 | S | 50.2 | Low | 60.2 | Low | 40 Ų | 40 | 100 Ų | 100 | 28% | 0.28 | 54% | 0.535 | S | S | . | . | | | trans | -125.4 | 100.1 | 179.6 | 72.2 | 0 | 0 | 0 | 0 | 112.9 | G82 C84 | S80-G82 PolarHBondContact O-N 3.2Å; S80-G82 VanDerWaalsContact O-N 3.08Å; S80-C84 PolarHBondContact OG-SG 3.45Å |
| 81 | S | 52.3 | Low | 60.1 | Low | 140 Ų | 140 | 96.6 Ų | 96.6 | 98% | 0.979 | 53% | 0.528 | S | S | * | . | | | trans | -78.7 | 31.4 | 173.1 | 51.4 | 0 | 0 | 0 | 0 | 113.8 | | |
| 82 | G | 60.5 | Low | 60.2 | Low | 36 Ų | 36 | 98 Ų | 98 | 37% | 0.371 | 54% | 0.541 | S | S | . | . | S | Bend | trans | -144.4 | 161.8 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | S80 C84 | S80-G82 PolarHBondContact O-N 3.2Å; S80-G82 VanDerWaalsContact O-N 3.08Å; G82-C84 PolarHBondContact O-N 3.37Å |
| 83 | P | 57 | Low | 60.2 | Low | 127 Ų | 127 | 98.1 Ų | 98.1 | 83% | 0.825 | 54% | 0.543 | S | S | * | . | | | trans | -63.9 | 100.4 | 175.7 | 26.8 | -32.1 | 0 | 0 | 0 | 108.6 | Q85 | P83-Q85 PolarHBondContact O-N 2.88Š|
| 84 | C | 53.6 | Low | 60.5 | Low | 42 Ų | 42 | 95.5 Ų | 95.5 | 28% | 0.284 | 54% | 0.543 | S | S | . | . | | | trans | -60.3 | 106.4 | 173.5 | -82.5 | 0 | 0 | 0 | 0 | 108.2 | C37 L74 S80 G82 R86 | C37-C84 HydrophobicContact CB-CB 4.32Å; C37-C84 WeakPolarHBondContact CB-SG 3.13Å; C37-C84 VanDerWaalsContact SG-CA 3.53Å; C37-C84 WeakPolarHBondContact SG-CB 3.21Å; C37-C84 CovalentContact SG-SG 2.06Å; C37-C84 PolarHBondContact SG-SG 2.91Å; L74-C84 HydrophobicContact CD1-CB 3.85Å; L74-C84 HydrophobicContact CD2-CB 4.04Å; S80-C84 PolarHBondContact OG-SG 3.45Å; G82-C84 PolarHBondContact O-N 3.37Å; C84-R86 PolarHBondContact O-N 2.89Å |
| 85 | Q | 60.2 | Low | 61 | Low | 177 Ų | 177 | 96.3 Ų | 96.3 | 83% | 0.827 | 56% | 0.559 | S | S | * | * | | | trans | -59.3 | 135.2 | 164.1 | -65.2 | -166.4 | -10.4 | 0 | 0 | 107.1 | P83 C87 | P83-Q85 PolarHBondContact O-N 2.88Å; Q85-C87 PolarHBondContact O-N 3.29Å |
| 86 | R | 63.5 | Low | 60.9 | Low | 219 Ų | 219 | 93.7 Ų | 93.7 | 83% | 0.826 | 55% | 0.55 | S | S | * | . | | | trans | -47.2 | 134 | -179.8 | -82 | 177.8 | 159.4 | 168.5 | -5.3 | 109.4 | C84 | C84-R86 PolarHBondContact O-N 2.89Š|
| 87 | C | 64.7 | Low | 61.3 | Low | 8 Ų | 8 | 95.9 Ų | 95.9 | 5% | 0.054 | 55% | 0.554 | C | S | . | * | | | trans | -43.3 | 134 | 169.5 | -90.7 | 0 | 0 | 0 | 0 | 110.5 | C39 G72 Q85 | C39-C87 VanDerWaalsContact CA-SG 3.58Å; C39-C87 HydrophobicContact CB-CB 4.31Å; C39-C87 WeakPolarHBondContact CB-SG 3.01Å; C39-C87 WeakPolarHBondContact SG-CB 3.13Å; C39-C87 CovalentContact SG-SG 2.03Å; C39-C87 PolarHBondContact SG-SG 3.43Å; G72-C87 VanDerWaalsContact O-CB 3.32Å; G72-C87 WeakPolarHBondContact O-CB 3.39Å; G72-C87 PolarHBondContact O-SG 3.46Å; Q85-C87 PolarHBondContact O-N 3.29Å |
| 88 | P | 66.6 | Low | 61.8 | Low | 96 Ų | 96 | 97 Ų | 97 | 62% | 0.623 | 55% | 0.554 | S | S | * | * | P | Polyproline II helix | trans | -55.9 | 146.1 | 174 | 25.1 | -33.2 | 0 | 0 | 0 | 109.4 | G90 | P88-G90 PolarHBondContact O-N 2.03Š|
| 89 | Q | 65.7 | Low | 61.7 | Low | 115 Ų | 115 | 88.9 Ų | 88.9 | 54% | 0.537 | 52% | 0.52 | S | S | . | . | B | Isolated β-bridge | trans | -60.5 | 136.8 | 175.1 | -171.6 | 162.8 | 52.2 | 0 | 0 | 109.2 | G69 | G69-Q89 WeakPolarHBondContact O-CG 3.45Å; G69-Q89 PolarHBondContact O-NE2 2.71Å; G69-Q89 VanDerWaalsContact O-NE2 3.09Å |
| 90 | G | 65 | Low | 61.8 | Low | 5 Ų | 5 | 83.8 Ų | 83.8 | 5% | 0.052 | 50% | 0.503 | C | S | . | . | P | Polyproline II helix | trans | -59.5 | 165.1 | 172 | 0 | 0 | 0 | 0 | 0 | 111.3 | P88 | P88-G90 PolarHBondContact O-N 2.03Š|
| 91 | P | 66.9 | Low | 62 | Low | 70 Ų | 70 | 89.8 Ų | 89.8 | 46% | 0.455 | 52% | 0.524 | S | S | . | . | P | Polyproline II helix | trans | -54.7 | 144.5 | 177.3 | 24.4 | -33.6 | 0 | 0 | 0 | 110.7 | P44 | P44-P91 HydrophobicContact CG-CG 4.46Š|
| 92 | P | 69.2 | Low | 61.9 | Low | 107 Ų | 107 | 83.6 Ų | 83.6 | 70% | 0.695 | 48% | 0.483 | S | S | * | . | P | Polyproline II helix | trans | -51.4 | 144.5 | 171 | -24.9 | 34.1 | 0 | 0 | 0 | 110.9 | | |
| 93 | G | 64.7 | Low | 61.4 | Low | 13 Ų | 13 | 86.1 Ų | 86.1 | 13% | 0.134 | 49% | 0.493 | C | S | . | . | P | Polyproline II helix | trans | -62.6 | 159.1 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | G45 | G45-G93 VanDerWaalsContact O-CA 3.24Å; G45-G93 WeakPolarHBondContact O-CA 3.26Å |
| 94 | D | 70.9 | Confident | 61.2 | Low | 129 Ų | 129 | 86 Ų | 86 | 69% | 0.69 | 49% | 0.492 | S | S | * | . | P | Polyproline II helix | trans | -58.4 | 147.9 | 175.8 | -69.1 | -41.9 | 0 | 0 | 0 | 111.4 | P47 G48 | P47-D94 WeakPolarHBondContact CA-O 3.09Å; G48-D94 PolarHBondContact N-O 3.42Å |
| 95 | A | 68.2 | Low | 60.9 | Low | 83 Ų | 83 | 85.9 Ų | 85.9 | 69% | 0.686 | 50% | 0.498 | S | S | * | . | P | Polyproline II helix | trans | -60.1 | 141.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 96 | G | 58.1 | Low | 60.3 | Low | 18 Ų | 18 | 86.4 Ų | 86.4 | 19% | 0.186 | 50% | 0.498 | C | S | . | . | P | Polyproline II helix | trans | -61 | 145.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | G48 | G48-G96 WeakPolarHBondContact O-CA 3Š|
| 97 | L | 65.5 | Low | 59.8 | Low | 128 Ų | 128 | 81.6 Ų | 81.6 | 67% | 0.67 | 50% | 0.497 | S | S | * | . | P | Polyproline II helix | trans | -63.3 | 142.1 | 177.6 | -64.6 | 176.1 | 0 | 0 | 0 | 110.3 | P50 G51 G99 | P50-L97 VanDerWaalsContact CA-O 3.26Å; P50-L97 WeakPolarHBondContact CA-O 3.26Å; G51-L97 PolarHBondContact N-O 3.48Å; L97-G99 PolarHBondContact O-N 3.24Å |
| 98 | P | 62.7 | Low | 58.7 | Low | 110 Ų | 110 | 84.4 Ų | 84.4 | 71% | 0.714 | 53% | 0.528 | S | S | * | . | P | Polyproline II helix | trans | -54.8 | 140.1 | 170.7 | -24.4 | 34 | 0 | 0 | 0 | 111 | | |
| 99 | G | 54.6 | Low | 57.7 | Low | 15 Ų | 15 | 91.1 Ų | 91.1 | 16% | 0.155 | 54% | 0.541 | C | S | . | . | P | Polyproline II helix | trans | -59.7 | 156.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | G51 L97 | G51-G99 VanDerWaalsContact O-CA 3.26Å; G51-G99 WeakPolarHBondContact O-CA 3.19Å; L97-G99 PolarHBondContact O-N 3.24Å |
| 100 | P | 57.2 | Low | 57 | Low | 81 Ų | 81 | 91.4 Ų | 91.4 | 53% | 0.526 | 55% | 0.553 | S | S | . | * | P | Polyproline II helix | trans | -60.2 | 149.2 | 175.8 | 28.6 | -34.5 | 0 | 0 | 0 | 110.6 | D53 G102 | D53-P100 WeakPolarHBondContact OD1-CD 3.45Å; D53-P100 WeakPolarHBondContact OD1-CG 3.06Å; P100-G102 PolarHBondContact O-N 3.14Å |
| 101 | K | 55.5 | Low | 55.8 | Low | 166 Ų | 166 | 94.4 Ų | 94.4 | 72% | 0.722 | 58% | 0.584 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 129.9 | 174.1 | -172.8 | 177.1 | 178.9 | 177.2 | 0 | 108.4 | | |
| 102 | G | 48.5 | Very low | 54.9 | Low | 11 Ų | 11 | 100.3 Ų | 100.3 | 11% | 0.113 | 60% | 0.602 | C | S | . | * | P | Polyproline II helix | trans | -57 | 160.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | G54 P100 | G54-G102 WeakPolarHBondContact O-CA 3.42Å; P100-G102 PolarHBondContact O-N 3.14Å |
| 103 | P | 50.5 | Low | 53.5 | Low | 88 Ų | 88 | 103.1 Ų | 103.1 | 57% | 0.571 | 61% | 0.606 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 155.6 | 178.3 | 23.7 | -31.9 | 0 | 0 | 0 | 112 | G105 | P103-G105 PolarHBondContact O-N 3.46Š|
| 104 | P | 52.4 | Low | 52.5 | Low | 124 Ų | 124 | 108.3 Ų | 108.3 | 81% | 0.805 | 64% | 0.635 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 134.4 | 172.3 | -22.1 | 32.9 | 0 | 0 | 0 | 110.6 | | |
| 105 | G | 49.1 | Very low | 51 | Low | 40 Ų | 40 | 111 Ų | 111 | 41% | 0.412 | 64% | 0.637 | S | S | . | * | P | Polyproline II helix | trans | -59.7 | 149.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113 | D56 P103 S107 | D56-G105 VanDerWaalsContact CB-CA 3.47Å; P103-G105 PolarHBondContact O-N 3.46Å; G105-S107 PolarHBondContact O-N 3.09Å |
| 106 | K | 46.4 | Very low | 49.8 | Very low | 189 Ų | 189 | 114.8 Ų | 114.8 | 82% | 0.822 | 64% | 0.64 | S | S | * | * | P | Polyproline II helix | trans | -52.5 | 130.8 | 175.2 | -61.2 | -178.4 | -176.1 | -179.9 | 0 | 109.3 | G108 | K106-G108 PolarHBondContact O-N 3.47Š|
| 107 | S | 53.7 | Low | 49 | Very low | 117 Ų | 117 | 122.9 Ų | 122.9 | 82% | 0.818 | 67% | 0.673 | S | S | * | * | P | Polyproline II helix | trans | -51.6 | 124.9 | 171.5 | 53.2 | 0 | 0 | 0 | 0 | 109 | G105 | G105-S107 PolarHBondContact O-N 3.09Š|
| 108 | G | 41.7 | Very low | 47.8 | Very low | 68 Ų | 68 | 119.7 Ų | 119.7 | 70% | 0.701 | 67% | 0.671 | S | S | * | * | P | Polyproline II helix | trans | -53.3 | 142.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | K106 | K106-G108 PolarHBondContact O-N 3.47Š|
| 109 | R | 44.7 | Very low | 46.8 | Very low | 237 Ų | 237 | 123.8 Ų | 123.8 | 89% | 0.894 | 68% | 0.678 | S | S | * | * | P | Polyproline II helix | trans | -54.5 | 139 | 172.6 | -80 | -177.1 | 174.2 | -174.1 | -2.2 | 108.7 | G111 | R109-G111 PolarHBondContact O-N 2.93Å; R109-G111 VanDerWaalsContact O-N 3.16Å |
| 110 | P | 50.8 | Low | 46.2 | Very low | 121 Ų | 121 | 130.5 Ų | 130.5 | 79% | 0.786 | 71% | 0.71 | S | S | * | * | P | Polyproline II helix | trans | -48.4 | 127.7 | 169.8 | -23 | 31.1 | 0 | 0 | 0 | 108.5 | K112 | P110-K112 PolarHBondContact O-N 3.46Å; P110-K112 VanDerWaalsContact O-N 3.14Å |
| 111 | G | 39.6 | Very low | 45.8 | Very low | 68 Ų | 68 | 133.8 Ų | 133.8 | 70% | 0.701 | 72% | 0.718 | S | S | * | * | P | Polyproline II helix | trans | -51.7 | 125.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 108.2 | R109 Q113 | R109-G111 PolarHBondContact O-N 2.93Å; R109-G111 VanDerWaalsContact O-N 3.16Å; G111-Q113 PolarHBondContact O-N 3.46Å |
| 112 | K | 48 | Very low | 45.2 | Very low | 194 Ų | 194 | 134 Ų | 134 | 84% | 0.843 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -54.9 | 118.3 | 169.3 | -70.1 | -166.4 | 176.6 | -168.1 | 0 | 106 | P110 V114 | P110-K112 PolarHBondContact O-N 3.46Å; P110-K112 VanDerWaalsContact O-N 3.14Å; K112-V114 PolarHBondContact O-N 3.05Å |
| 113 | Q | 40.9 | Very low | 45.2 | Very low | 165 Ų | 165 | 140.9 Ų | 140.9 | 77% | 0.771 | 75% | 0.752 | S | S | * | * | | | trans | -59.9 | 99.1 | 162.9 | -76.2 | -176.8 | -18.7 | 0 | 0 | 105.8 | G111 Y115 | G111-Q113 PolarHBondContact O-N 3.46Å; Q113-Y115 VanDerWaalsContact C-N 3.27Å; Q113-Y115 PolarHBondContact O-N 3.08Å; Q113-Y115 VanDerWaalsContact O-N 3.11Å |
| 114 | V | 43.2 | Very low | 44.7 | Very low | 123 Ų | 123 | 145.6 Ų | 145.6 | 75% | 0.745 | 76% | 0.76 | S | S | * | * | | | trans | -74 | 96 | 162.9 | 179.9 | 0 | 0 | 0 | 0 | 103.9 | K112 Q116 | K112-V114 PolarHBondContact O-N 3.05Å; V114-Q116 PolarHBondContact O-N 3.33Å; V114-Q116 VanDerWaalsContact O-N 3.15Å |
| 115 | Y | 39.6 | Very low | 44 | Very low | 185 Ų | 185 | 147.3 Ų | 147.3 | 73% | 0.725 | 76% | 0.757 | S | S | * | * | | | trans | -56.7 | 116.6 | 157.5 | -93.7 | -97.9 | 0 | 0 | 0 | 106.5 | Q113 E117 | Q113-Y115 VanDerWaalsContact C-N 3.27Å; Q113-Y115 PolarHBondContact O-N 3.08Å; Q113-Y115 VanDerWaalsContact O-N 3.11Å; Y115-E117 PolarHBondContact O-N 3.43Å |
| 116 | Q | 43.9 | Very low | 44.1 | Very low | 163 Ų | 163 | 151.3 Ų | 151.3 | 76% | 0.762 | 77% | 0.765 | S | S | * | * | | | trans | -71.4 | 77.5 | 164.6 | -76.8 | 174.1 | -35.1 | 0 | 0 | 107.7 | V114 | V114-Q116 PolarHBondContact O-N 3.33Å; V114-Q116 VanDerWaalsContact O-N 3.15Å |
| 117 | E | 40.7 | Very low | 44.1 | Very low | 188 Ų | 188 | 151 Ų | 151 | 88% | 0.879 | 76% | 0.764 | S | S | * | * | | | trans | -95.6 | 87.7 | 154.5 | -85.2 | -173.9 | 145.5 | 0 | 0 | 106.4 | Y115 | Y115-E117 PolarHBondContact O-N 3.43Š|
| 118 | G | 39.5 | Very low | 43.7 | Very low | 60 Ų | 60 | 148.6 Ų | 148.6 | 62% | 0.619 | 76% | 0.757 | S | S | * | * | | | trans | -168.6 | 86.7 | -171.4 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 119 | K | 41.6 | Very low | 43.9 | Very low | 197 Ų | 197 | 152 Ų | 152 | 86% | 0.857 | 76% | 0.76 | S | S | * | * | | | trans | 80.8 | 70 | 140.7 | -54.7 | -179.7 | -179.4 | -175.7 | 0 | 118.3 | | |
| 120 | D | 42.5 | Very low | 44.5 | Very low | 156 Ų | 156 | 148.3 Ų | 148.3 | 83% | 0.834 | 75% | 0.752 | S | S | * | * | | | trans | -119.7 | 81.6 | 154.6 | -67.1 | -27.2 | 0 | 0 | 0 | 110.2 | | |
| 121 | H | 49.2 | Very low | 44 | Very low | 150 Ų | 150 | 150 Ų | 150 | 69% | 0.694 | 75% | 0.75 | S | S | * | * | | | trans | 172.6 | 85.5 | 141.1 | -110.1 | -112.2 | 0 | 0 | 0 | 108.5 | E123 | H121-E123 IonicContact CE1-OE2 3.33Å; H121-E123 PolarHBondContact CE1-OE2 3.37Å; H121-E123 IonicContact ND1-OE2 3.42Å; H121-E123 PolarHBondContact ND1-OE2 3.4Å |
| 122 | M | 42.7 | Very low | 44 | Very low | 171 Ų | 171 | 155.1 Ų | 155.1 | 84% | 0.842 | 76% | 0.755 | S | S | * | * | | | trans | -90.7 | 91.9 | 151.3 | -79.6 | -174.7 | -73.1 | 0 | 0 | 106 | | |
| 123 | E | 48.6 | Very low | 44.1 | Very low | 154 Ų | 154 | 153.3 Ų | 153.3 | 72% | 0.72 | 75% | 0.75 | S | S | * | * | | | trans | -98 | 122.5 | 166.1 | -167.4 | 158.4 | 167.1 | 0 | 0 | 108.2 | H121 | H121-E123 IonicContact CE1-OE2 3.33Å; H121-E123 PolarHBondContact CE1-OE2 3.37Å; H121-E123 IonicContact ND1-OE2 3.42Å; H121-E123 PolarHBondContact ND1-OE2 3.4Å |
| 124 | Y | 40 | Very low | 44.4 | Very low | 187 Ų | 187 | 155.1 Ų | 155.1 | 73% | 0.733 | 75% | 0.749 | S | S | * | * | | | trans | -81.7 | 144.9 | -178.2 | -85.7 | -103.5 | 0 | 0 | 0 | 111.2 | | |
| 125 | Q | 37.5 | Very low | 44.5 | Very low | 160 Ų | 160 | 158 Ų | 158 | 75% | 0.748 | 76% | 0.755 | S | S | * | * | | | trans | 70.1 | 140.2 | 158.6 | -74.3 | 169.6 | -105.3 | 0 | 0 | 116.6 | | |
| 126 | E | 50.4 | Low | 45 | Very low | 124 Ų | 124 | 153.7 Ų | 153.7 | 58% | 0.579 | 75% | 0.747 | S | S | * | * | | | cis | -165.6 | 141 | 13.3 | -130.6 | 174.6 | 116.8 | 0 | 0 | 108.8 | | |
| 127 | K | 48.3 | Very low | 44.9 | Very low | 184 Ų | 184 | 151.3 Ų | 151.3 | 80% | 0.8 | 75% | 0.749 | S | S | * | * | | | trans | 62.7 | 131 | 146.1 | -73.6 | 165.4 | 179.6 | 159.9 | 0 | 122.6 | | |
| 128 | G | 43.4 | Very low | 45.3 | Very low | 65 Ų | 65 | 148.5 Ų | 148.5 | 67% | 0.67 | 75% | 0.745 | S | S | * | * | | | trans | 98.2 | 87.8 | 141.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 129 | D | 47.7 | Very low | 45.6 | Very low | 141 Ų | 141 | 149.2 Ų | 149.2 | 75% | 0.754 | 75% | 0.752 | S | S | * | * | | | | 95.3 | 117 | 84.3 | -94.5 | -20.3 | 0 | 0 | 0 | 112.5 | | |
| 130 | H | 55.9 | Low | 46 | Very low | 159 Ų | 159 | 146.2 Ų | 146.2 | 74% | 0.736 | 75% | 0.75 | S | S | * | * | | | trans | 60 | 123 | 135.1 | -66.3 | 47.8 | 0 | 0 | 0 | 115.9 | | |
| 131 | Q | 40.3 | Very low | 46.1 | Very low | 157 Ų | 157 | 145.4 Ų | 145.4 | 73% | 0.734 | 75% | 0.745 | S | S | * | * | | | cis | 165.7 | 112.2 | 31.5 | 161.9 | 174.1 | 2.9 | 0 | 0 | 103.7 | | |
| 132 | E | 40.1 | Very low | 45.9 | Very low | 174 Ų | 174 | 147.6 Ų | 147.6 | 81% | 0.813 | 75% | 0.753 | S | S | * | * | | | trans | -126.8 | 87.4 | 165 | -150.5 | -172.2 | 129 | 0 | 0 | 109.4 | R134 | E132-R134 PolarHBondContact O-N 2.87Š|
| 133 | H | 49.5 | Very low | 46 | Very low | 157 Ų | 157 | 147.2 Ų | 147.2 | 73% | 0.727 | 75% | 0.749 | S | S | * | * | | | trans | -73 | 112 | 164 | -96.5 | -132.2 | 0 | 0 | 0 | 109 | | |
| 134 | R | 47 | Very low | 46 | Very low | 202 Ų | 202 | 143.9 Ų | 143.9 | 76% | 0.762 | 74% | 0.742 | S | S | * | * | | | | 63.8 | 84.5 | 121.6 | -161.6 | 174.1 | -167.6 | 171.5 | 3.8 | 115.5 | E132 V136 | E132-R134 PolarHBondContact O-N 2.87Å; R134-V136 HydrophobicContact CG-CG2 3.73Å; R134-V136 PolarHBondContact O-N 2.99Å; R134-V136 VanDerWaalsContact O-N 3.08Å |
| 135 | Q | 45.6 | Very low | 46.7 | Very low | 184 Ų | 184 | 141.5 Ų | 141.5 | 86% | 0.86 | 74% | 0.742 | S | S | * | * | | | trans | -70.2 | 97.5 | 154.8 | -71.6 | -178.7 | 12.3 | 0 | 0 | 109.3 | | |
| 136 | V | 50.4 | Low | 47 | Very low | 94 Ų | 94 | 142.1 Ų | 142.1 | 57% | 0.57 | 74% | 0.742 | S | S | * | * | | | trans | -100.7 | 112.6 | 160.5 | 168.8 | 0 | 0 | 0 | 0 | 107.2 | R134 T138 | R134-V136 HydrophobicContact CG-CG2 3.73Å; R134-V136 PolarHBondContact O-N 2.99Å; R134-V136 VanDerWaalsContact O-N 3.08Å; V136-T138 PolarHBondContact O-N 3.4Å |
| 137 | S | 41.2 | Very low | 47 | Very low | 113 Ų | 113 | 145.3 Ų | 145.3 | 79% | 0.79 | 75% | 0.749 | S | S | * | * | | | trans | -42.6 | 114.2 | 159.6 | 158.3 | 0 | 0 | 0 | 0 | 111.7 | | |
| 138 | T | 49.7 | Very low | 47 | Very low | 130 Ų | 130 | 143.4 Ų | 143.4 | 80% | 0.798 | 74% | 0.743 | S | S | * | * | | | trans | -165.2 | 139.3 | 150.3 | 41.6 | 0 | 0 | 0 | 0 | 110.2 | V136 | V136-T138 PolarHBondContact O-N 3.4Š|
| 139 | G | 46.3 | Very low | 47.4 | Very low | 75 Ų | 75 | 144.7 Ų | 144.7 | 77% | 0.773 | 74% | 0.741 | S | S | * | * | | | trans | 100.5 | 76.7 | 139 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 140 | V | 49.2 | Very low | 47.7 | Very low | 134 Ų | 134 | 144 Ų | 144 | 81% | 0.812 | 74% | 0.737 | S | S | * | * | | | trans | -59.7 | 147.4 | 155.3 | -166.6 | 0 | 0 | 0 | 0 | 109.6 | | |
| 141 | L | 45.5 | Very low | 47.1 | Very low | 138 Ų | 138 | 144 Ų | 144 | 72% | 0.723 | 74% | 0.737 | S | S | * | * | | | trans | 79.7 | 117.5 | 153.8 | -126.6 | 76.8 | 0 | 0 | 0 | 118.1 | | |
| 142 | F | 45.8 | Very low | 47.6 | Very low | 196 Ų | 196 | 146.2 Ų | 146.2 | 86% | 0.86 | 75% | 0.745 | S | S | * | * | | | trans | 167 | 82.1 | 133.7 | -108 | -90.4 | 0 | 0 | 0 | 106.7 | | |
| 143 | Q | 42.9 | Very low | 47.5 | Very low | 164 Ų | 164 | 148 Ų | 148 | 77% | 0.766 | 75% | 0.75 | S | S | * | * | | | | 32.1 | 129.5 | 98.1 | -88.9 | -157.8 | 46.8 | 0 | 0 | 115.7 | | |
| 144 | S | 49.8 | Very low | 47.1 | Very low | 83 Ų | 83 | 143.7 Ų | 143.7 | 58% | 0.58 | 75% | 0.748 | S | S | * | * | | | trans | 99.5 | 107.1 | 133 | -78.2 | 0 | 0 | 0 | 0 | 118.5 | | |
| 145 | L | 53.9 | Low | 47.2 | Very low | 138 Ų | 138 | 142.5 Ų | 142.5 | 72% | 0.723 | 76% | 0.756 | S | S | * | * | | | | 101.8 | 129.5 | 122.6 | -64.6 | 166.3 | 0 | 0 | 0 | 117.8 | | |
| 146 | F | 44 | Very low | 47.2 | Very low | 173 Ų | 173 | 141.9 Ų | 141.9 | 76% | 0.759 | 75% | 0.75 | S | S | * | * | | | trans | 74.8 | 128.5 | 142.1 | -83.1 | -128.4 | 0 | 0 | 0 | 114.4 | | |
| 147 | R | 49.7 | Very low | 47 | Very low | 191 Ų | 191 | 140.5 Ų | 140.5 | 72% | 0.721 | 76% | 0.755 | S | S | * | * | | | cis | -170.6 | 137.5 | 38.4 | -124 | 167.6 | 71.4 | -159.2 | -1.7 | 108.1 | | |
| 148 | E | 49.2 | Very low | 47.4 | Very low | 143 Ų | 143 | 143.1 Ų | 143.1 | 67% | 0.668 | 76% | 0.755 | S | S | * | * | | | | 59.4 | 110.8 | 111.7 | -78.1 | -179.4 | 163.5 | 0 | 0 | 113.6 | | |
| 149 | S | 52.7 | Low | 47.5 | Very low | 92 Ų | 92 | 143.6 Ų | 143.6 | 64% | 0.643 | 76% | 0.758 | S | S | * | * | | | | 120.4 | 143.8 | 77.1 | -84.2 | 0 | 0 | 0 | 0 | 106.1 | | |
| 150 | L | 53.2 | Low | 47.9 | Very low | 127 Ų | 127 | 143.4 Ų | 143.4 | 67% | 0.665 | 76% | 0.756 | S | S | * | * | | | cis | -168.4 | 162.7 | -7.5 | -86.1 | 150 | 0 | 0 | 0 | 104.1 | | |
| 151 | H | 43 | Very low | 48.3 | Very low | 158 Ų | 158 | 146 Ų | 146 | 73% | 0.731 | 76% | 0.759 | S | S | * | * | | | trans | 70.2 | 114.5 | 154.5 | -45 | 121.2 | 0 | 0 | 0 | 118.8 | | |
| 152 | F | 50.3 | Low | 49.2 | Very low | 204 Ų | 204 | 145.9 Ų | 145.9 | 90% | 0.895 | 77% | 0.766 | S | S | * | * | | | | -178.7 | 115.4 | 95.4 | -161.3 | -104.6 | 0 | 0 | 0 | 109.3 | | |
| 153 | K | 39.3 | Very low | 49.6 | Very low | 212 Ų | 212 | 140 Ų | 140 | 92% | 0.922 | 76% | 0.761 | S | S | * | * | | | trans | -107.3 | 110.4 | 179.5 | -158.8 | 175.1 | -172.4 | 178.1 | 0 | 108.1 | | |
| 154 | G | 41.4 | Very low | 50.5 | Low | 66 Ų | 66 | 143.2 Ų | 143.2 | 68% | 0.68 | 77% | 0.766 | S | S | * | * | | | trans | -100.5 | 123.7 | 168.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 155 | L | 48.6 | Very low | 51.1 | Low | 178 Ų | 178 | 145.8 Ų | 145.8 | 93% | 0.932 | 78% | 0.778 | S | S | * | * | | | trans | -51.9 | 158.1 | 173.4 | -60.8 | 161.2 | 0 | 0 | 0 | 111.7 | | |
| 156 | K | 45.1 | Very low | 51.4 | Low | 170 Ų | 170 | 146.7 Ų | 146.7 | 74% | 0.739 | 78% | 0.782 | S | S | * | * | | | cis | -166.7 | 135.1 | 2.1 | 159.2 | -174.6 | 177 | -168.3 | 0 | 104 | E158 | K156-E158 IonicContact NZ-OE1 3.56Š|
| 157 | G | 46.7 | Very low | 52.5 | Low | 66 Ų | 66 | 145.9 Ų | 145.9 | 68% | 0.68 | 79% | 0.786 | S | S | * | * | | | trans | -139.1 | 124.8 | 165.1 | 0 | 0 | 0 | 0 | 0 | 107.5 | T159 | G157-T159 PolarHBondContact O-N 3.17Š|
| 158 | E | 49.3 | Very low | 53.6 | Low | 168 Ų | 168 | 141.4 Ų | 141.4 | 79% | 0.785 | 79% | 0.79 | S | S | * | * | | | trans | -71.3 | 122.7 | -173.6 | -61.8 | 176.6 | 145.4 | 0 | 0 | 110 | K156 | K156-E158 IonicContact NZ-OE1 3.56Š|
| 159 | T | 52.6 | Low | 54.6 | Low | 140 Ų | 140 | 138.8 Ų | 138.8 | 86% | 0.859 | 79% | 0.792 | S | S | * | * | | | trans | -123.2 | 99.3 | 176.4 | -47.4 | 0 | 0 | 0 | 0 | 110.9 | G157 | G157-T159 PolarHBondContact O-N 3.17Š|
| 160 | G | 54.1 | Low | 55.9 | Low | 71 Ų | 71 | 139.9 Ų | 139.9 | 73% | 0.732 | 80% | 0.797 | S | S | * | * | | | | 62.3 | 125.3 | 127.8 | 0 | 0 | 0 | 0 | 0 | 119.9 | | |
| 161 | Q | 58.1 | Low | 57.3 | Low | 188 Ų | 188 | 140 Ų | 140 | 88% | 0.879 | 81% | 0.806 | S | S | * | * | S | Bend | trans | -52.4 | 147.9 | 167.6 | -63.1 | 175.7 | 22.4 | 0 | 0 | 111.9 | G163 | Q161-G163 PolarHBondContact O-N 3.29Š|
| 162 | P | 62.6 | Low | 59.4 | Low | 135 Ų | 135 | 135.4 Ų | 135.4 | 88% | 0.877 | 80% | 0.801 | S | S | * | * | | | trans | -56.6 | 115.5 | 177 | -21.7 | 31.7 | 0 | 0 | 0 | 111.1 | R164 | P162-R164 PolarHBondContact O-N 3.16Š|
| 163 | G | 54.7 | Low | 61.1 | Low | 72 Ų | 72 | 131.6 Ų | 131.6 | 74% | 0.742 | 80% | 0.797 | S | S | * | * | | | trans | -64.8 | 131.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q161 V165 | Q161-G163 PolarHBondContact O-N 3.29Å; G163-V165 PolarHBondContact O-N 2.83Å |
| 164 | R | 62 | Low | 63.4 | Low | 233 Ų | 233 | 127.6 Ų | 127.6 | 88% | 0.879 | 79% | 0.793 | S | S | * | * | | | trans | -44.9 | 120.8 | 170.2 | -171.8 | 177.9 | -177.4 | -163.2 | 1.4 | 110.1 | P162 I166 | P162-R164 PolarHBondContact O-N 3.16Å; R164-I166 PolarHBondContact O-N 3.14Å |
| 165 | V | 63.1 | Low | 65.6 | Low | 137 Ų | 137 | 127.9 Ų | 127.9 | 83% | 0.83 | 80% | 0.795 | S | S | * | * | | | trans | -57.3 | 109 | 175.4 | -137.2 | 0 | 0 | 0 | 0 | 107.8 | G163 N167 | G163-V165 PolarHBondContact O-N 2.83Å; V165-N167 PolarHBondContact O-N 3Å |
| 166 | I | 60.1 | Low | 67.6 | Low | 156 Ų | 156 | 127.3 Ų | 127.3 | 80% | 0.8 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -76.2 | 116.7 | 172.8 | 50.1 | 174.7 | 0 | 0 | 0 | 106.8 | R164 A168 | R164-I166 PolarHBondContact O-N 3.14Å; I166-A168 PolarHBondContact O-N 3.15Å; I166-A168 VanDerWaalsContact O-N 3.17Å |
| 167 | N | 66.2 | Low | 69.6 | Low | 157 Ų | 157 | 125.1 Ų | 125.1 | 84% | 0.84 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -51.1 | 123.5 | 169.9 | -66.6 | -34.6 | 0 | 0 | 0 | 107.8 | V165 A169 | V165-N167 PolarHBondContact O-N 3Å; N167-A169 PolarHBondContact O-N 3.11Å |
| 168 | A | 72.9 | Confident | 71.7 | Confident | 97 Ų | 97 | 125 Ų | 125 | 80% | 0.802 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -49.6 | 127.4 | 180 | 0 | 0 | 0 | 0 | 0 | 109.6 | I166 | I166-A168 PolarHBondContact O-N 3.15Å; I166-A168 VanDerWaalsContact O-N 3.17Å |
| 169 | A | 71.4 | Confident | 73.7 | Confident | 88 Ų | 88 | 123.2 Ų | 123.2 | 73% | 0.727 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 140.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | N167 | N167-A169 PolarHBondContact O-N 3.11Š|
| 170 | P | 79 | Confident | 75.4 | Confident | 114 Ų | 114 | 121.4 Ų | 121.4 | 74% | 0.74 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 148.1 | 173.9 | 24.8 | -32 | 0 | 0 | 0 | 110.1 | G172 | P170-G172 PolarHBondContact O-N 3.43Š|
| 171 | P | 83.9 | Confident | 77.2 | Confident | 130 Ų | 130 | 121 Ų | 121 | 84% | 0.844 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -51.3 | 140.6 | 173.4 | -25.6 | 34.1 | 0 | 0 | 0 | 111.3 | | |
| 172 | G | 85.1 | Confident | 78.7 | Confident | 62 Ų | 62 | 117.6 Ų | 117.6 | 64% | 0.639 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 156.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | P170 | P170-G172 PolarHBondContact O-N 3.43Š|
| 173 | P | 87.4 | Confident | 80 | Confident | 124 Ų | 124 | 122.7 Ų | 122.7 | 81% | 0.805 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 150.3 | 176.5 | 26.9 | -34.1 | 0 | 0 | 0 | 110.8 | | |
| 174 | P | 87 | Confident | 81.7 | Confident | 128 Ų | 128 | 122.2 Ų | 122.2 | 83% | 0.831 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -53.9 | 145 | 172.1 | -24.3 | 33.9 | 0 | 0 | 0 | 111.5 | | |
| 175 | G | 88.2 | Confident | 83.1 | Confident | 71 Ų | 71 | 119.6 Ų | 119.6 | 73% | 0.732 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 154 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 176 | L | 89.8 | Confident | 84.3 | Confident | 166 Ų | 166 | 119 Ų | 119 | 87% | 0.869 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 145.9 | 173.7 | -65.4 | 174.6 | 0 | 0 | 0 | 110.3 | | |
| 177 | P | 88.6 | Confident | 85.6 | Confident | 124 Ų | 124 | 115.1 Ų | 115.1 | 81% | 0.805 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -54.4 | 141.6 | 170.9 | -24.2 | 34 | 0 | 0 | 0 | 111.3 | | |
| 178 | G | 89.9 | Confident | 86.7 | Confident | 65 Ų | 65 | 114.2 Ų | 114.2 | 67% | 0.67 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 162.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 179 | P | 90.7 | Very high | 87.5 | Confident | 130 Ų | 130 | 115.5 Ų | 115.5 | 84% | 0.844 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -61 | 153.2 | 175.4 | 27.6 | -34.5 | 0 | 0 | 0 | 111.3 | | |
| 180 | A | 89.6 | Confident | 88.3 | Confident | 102 Ų | 102 | 114.8 Ų | 114.8 | 84% | 0.843 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 138.5 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 181 | G | 90.6 | Very high | 88.8 | Confident | 62 Ų | 62 | 119.3 Ų | 119.3 | 64% | 0.639 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 162.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 182 | P | 91.1 | Very high | 89 | Confident | 116 Ų | 116 | 122.1 Ų | 122.1 | 75% | 0.753 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 151.8 | 178.7 | 27.8 | -34.7 | 0 | 0 | 0 | 111.5 | G184 | P182-G184 PolarHBondContact O-N 2.96Š|
| 183 | R | 89.4 | Confident | 89.1 | Confident | 243 Ų | 243 | 122.1 Ų | 122.1 | 92% | 0.917 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 133.1 | 172.6 | -175.7 | 179.6 | 177.6 | 172.9 | 0.7 | 109.5 | | |
| 184 | G | 89.2 | Confident | 89.2 | Confident | 61 Ų | 61 | 125.3 Ų | 125.3 | 63% | 0.629 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 153.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | P182 | P182-G184 PolarHBondContact O-N 2.96Š|
| 185 | Q | 91.2 | Very high | 89.2 | Confident | 179 Ų | 179 | 128.4 Ų | 128.4 | 84% | 0.836 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -65 | 150.5 | 179.1 | -64.4 | -173.1 | 37.6 | 0 | 0 | 111.2 | | |
| 186 | P | 88.9 | Confident | 89.2 | Confident | 125 Ų | 125 | 127.6 Ų | 127.6 | 81% | 0.812 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 140.5 | 171.1 | -23.4 | 34 | 0 | 0 | 0 | 111.5 | | |
| 187 | G | 88.5 | Confident | 89.1 | Confident | 73 Ų | 73 | 125.5 Ų | 125.5 | 75% | 0.753 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 150.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 188 | I | 89.3 | Confident | 89.1 | Confident | 139 Ų | 139 | 124.8 Ų | 124.8 | 71% | 0.713 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 139.1 | 173.7 | 52.1 | 172.8 | 0 | 0 | 0 | 110.8 | | |
| 189 | P | 89.4 | Confident | 88.9 | Confident | 123 Ų | 123 | 124.8 Ų | 124.8 | 80% | 0.799 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -54.1 | 142.9 | 172.4 | -26.6 | 35 | 0 | 0 | 0 | 111.9 | | |
| 190 | G | 88.1 | Confident | 88.8 | Confident | 74 Ų | 74 | 125 Ų | 125 | 76% | 0.763 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 151.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 191 | K | 89.3 | Confident | 88.7 | Confident | 209 Ų | 209 | 126 Ų | 126 | 91% | 0.909 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 145.8 | 173.4 | -63.1 | -179.9 | -179.5 | 179 | 0 | 109.7 | | |
| 192 | E | 88.8 | Confident | 88.5 | Confident | 188 Ų | 188 | 125.7 Ų | 125.7 | 88% | 0.879 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -54.7 | 139.9 | 171.3 | -169.7 | 178.1 | 175.7 | 0 | 0 | 110.3 | | |
| 193 | G | 86.5 | Confident | 88.4 | Confident | 62 Ų | 62 | 126.4 Ų | 126.4 | 64% | 0.639 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 148.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 194 | H | 88.6 | Confident | 88.2 | Confident | 191 Ų | 191 | 126.1 Ų | 126.1 | 88% | 0.884 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 142.7 | 174.5 | -64.5 | -88.3 | 0 | 0 | 0 | 110.6 | G196 | H194-G196 PolarHBondContact O-N 3.33Š|
| 195 | Q | 88.2 | Confident | 88.1 | Confident | 194 Ų | 194 | 126.1 Ų | 126.1 | 91% | 0.907 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -54.2 | 135.6 | 169.8 | -176.2 | 177.2 | 60.9 | 0 | 0 | 109.7 | | |
| 196 | G | 86.9 | Confident | 87.8 | Confident | 53 Ų | 53 | 124.6 Ų | 124.6 | 55% | 0.546 | 77% | 0.773 | S | S | . | * | P | Polyproline II helix | trans | -60.7 | 158.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | H194 | H194-G196 PolarHBondContact O-N 3.33Š|
| 197 | P | 89.4 | Confident | 87.7 | Confident | 122 Ų | 122 | 127.5 Ų | 127.5 | 79% | 0.792 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 154.2 | 177.4 | 28.4 | -34.9 | 0 | 0 | 0 | 111.3 | | |
| 198 | P | 87 | Confident | 87.5 | Confident | 109 Ų | 109 | 127 Ų | 127 | 71% | 0.708 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -54.6 | 147.5 | 170.3 | -24 | 33.8 | 0 | 0 | 0 | 112.1 | | |
| 199 | G | 87.1 | Confident | 87.4 | Confident | 66 Ų | 66 | 129.8 Ų | 129.8 | 68% | 0.68 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -62 | 164.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 200 | P | 88.7 | Confident | 87.2 | Confident | 135 Ų | 135 | 135.3 Ų | 135.3 | 88% | 0.877 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 150.2 | 178.3 | 28.5 | -34.8 | 0 | 0 | 0 | 111.7 | | |
| 201 | T | 87.4 | Confident | 87.1 | Confident | 122 Ų | 122 | 134.9 Ų | 134.9 | 75% | 0.748 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 136.2 | 171.1 | -51.3 | 0 | 0 | 0 | 0 | 109.9 | | |
| 202 | G | 86.6 | Confident | 86.9 | Confident | 55 Ų | 55 | 136.8 Ų | 136.8 | 57% | 0.567 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -61 | 163 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 203 | P | 88.2 | Confident | 86.8 | Confident | 132 Ų | 132 | 134.6 Ų | 134.6 | 86% | 0.857 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 151.1 | 179.3 | 27.7 | -34.6 | 0 | 0 | 0 | 111.7 | G205 | P203-G205 PolarHBondContact O-N 3.42Š|
| 204 | R | 85.7 | Confident | 86.8 | Confident | 237 Ų | 237 | 134.2 Ų | 134.2 | 89% | 0.894 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 135.4 | 172.7 | -173.2 | -178 | 176.6 | 172.5 | 0.2 | 109.4 | | |
| 205 | G | 86.7 | Confident | 86.7 | Confident | 61 Ų | 61 | 131.3 Ų | 131.3 | 63% | 0.629 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 149.8 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | P203 | P203-G205 PolarHBondContact O-N 3.42Š|
| 206 | V | 85.2 | Confident | 86.6 | Confident | 146 Ų | 146 | 131.3 Ų | 131.3 | 89% | 0.885 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 141.5 | 176.1 | -67 | 0 | 0 | 0 | 0 | 110.6 | G208 | V206-G208 PolarHBondContact O-N 3.47Š|
| 207 | Q | 86 | Confident | 86.5 | Confident | 187 Ų | 187 | 131.9 Ų | 131.9 | 87% | 0.874 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 132.4 | 173.6 | -179.5 | 177.1 | -9.4 | 0 | 0 | 109.3 | | |
| 208 | G | 85.6 | Confident | 86.4 | Confident | 63 Ų | 63 | 134.9 Ų | 134.9 | 65% | 0.649 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 147.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | V206 | V206-G208 PolarHBondContact O-N 3.47Š|
| 209 | E | 86.9 | Confident | 86.4 | Confident | 196 Ų | 196 | 135.7 Ų | 135.7 | 92% | 0.916 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 146.8 | 177.5 | -64.5 | -166.4 | 126 | 0 | 0 | 111.6 | G211 | E209-G211 PolarHBondContact O-N 3.22Š|
| 210 | R | 85.3 | Confident | 86.4 | Confident | 239 Ų | 239 | 135.5 Ų | 135.5 | 90% | 0.902 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 131.1 | 173.2 | -178.2 | -174.2 | -69 | -178.3 | -1.4 | 109.1 | | |
| 211 | G | 84.3 | Confident | 86.4 | Confident | 66 Ų | 66 | 134.9 Ų | 134.9 | 68% | 0.68 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -54.8 | 147.8 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | E209 | E209-G211 PolarHBondContact O-N 3.22Š|
| 212 | R | 85 | Confident | 86.4 | Confident | 248 Ų | 248 | 135.1 Ų | 135.1 | 94% | 0.936 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 145.5 | 177.5 | -66.3 | -178 | 174.4 | -177 | -1.9 | 110.6 | G214 | R212-G214 PolarHBondContact O-N 3.37Š|
| 213 | T | 88.1 | Confident | 86.5 | Confident | 142 Ų | 142 | 135.5 Ų | 135.5 | 87% | 0.871 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 134.9 | 166.4 | -50.3 | 0 | 0 | 0 | 0 | 109 | | |
| 214 | G | 85.2 | Confident | 86.5 | Confident | 55 Ų | 55 | 135.5 Ų | 135.5 | 57% | 0.567 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 162.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | R212 | R212-G214 PolarHBondContact O-N 3.37Š|
| 215 | P | 86.8 | Confident | 86.5 | Confident | 130 Ų | 130 | 133.5 Ų | 133.5 | 84% | 0.844 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -62 | 152.5 | 174.7 | 28.3 | -34.4 | 0 | 0 | 0 | 111.3 | | |
| 216 | E | 86.5 | Confident | 86.4 | Confident | 194 Ų | 194 | 133.1 Ų | 133.1 | 91% | 0.907 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 141.3 | 168.6 | -171 | 172.2 | -177 | 0 | 0 | 109.7 | | |
| 217 | G | 85.1 | Confident | 86.3 | Confident | 64 Ų | 64 | 132.4 Ų | 132.4 | 66% | 0.66 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 148.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 218 | E | 86.8 | Confident | 85.9 | Confident | 186 Ų | 186 | 129.3 Ų | 129.3 | 87% | 0.869 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 147.7 | 175.8 | -62.9 | -154 | 131 | 0 | 0 | 111.5 | G220 | E218-G220 PolarHBondContact O-N 3.41Š|
| 219 | P | 87.3 | Confident | 85.3 | Confident | 125 Ų | 125 | 129.8 Ų | 129.8 | 81% | 0.812 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -54.4 | 140.2 | 171.9 | -24.3 | 33.9 | 0 | 0 | 0 | 111.5 | | |
| 220 | G | 87.9 | Confident | 84.4 | Confident | 63 Ų | 63 | 128.3 Ų | 128.3 | 65% | 0.649 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -61 | 156.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | E218 | E218-G220 PolarHBondContact O-N 3.41Š|
| 221 | P | 88.1 | Confident | 83.5 | Confident | 121 Ų | 121 | 122.7 Ų | 122.7 | 79% | 0.786 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 153 | 176.9 | 26.9 | -34.8 | 0 | 0 | 0 | 111.1 | G223 | P221-G223 PolarHBondContact O-N 3.17Š|
| 222 | P | 87.1 | Confident | 82.2 | Confident | 128 Ų | 128 | 123 Ų | 123 | 83% | 0.831 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -52.5 | 140.9 | 171.4 | -24.7 | 33.8 | 0 | 0 | 0 | 111.4 | | |
| 223 | G | 88.6 | Confident | 80.6 | Confident | 63 Ų | 63 | 116.9 Ų | 116.9 | 65% | 0.649 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 157.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | P221 | P221-G223 PolarHBondContact O-N 3.17Š|
| 224 | P | 87.8 | Confident | 78.2 | Confident | 132 Ų | 132 | 115.8 Ų | 115.8 | 86% | 0.857 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 149.7 | 175.9 | 26.6 | -34.5 | 0 | 0 | 0 | 111 | G226 | P224-G226 PolarHBondContact O-N 3.08Š|
| 225 | Q | 85.5 | Confident | 76.3 | Confident | 194 Ų | 194 | 123.7 Ų | 123.7 | 91% | 0.907 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -56.6 | 130.6 | 173 | -172 | 177.8 | 27.7 | 0 | 0 | 109.5 | | |
| 226 | G | 85.6 | Confident | 74.6 | Confident | 53 Ų | 53 | 126 Ų | 126 | 55% | 0.546 | 79% | 0.792 | S | S | . | * | P | Polyproline II helix | trans | -60.5 | 153.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | P224 | P224-G226 PolarHBondContact O-N 3.08Š|
| 227 | P | 82.7 | Confident | 72.6 | Confident | 132 Ų | 132 | 122 Ų | 122 | 86% | 0.857 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 148.3 | 175.8 | 25.9 | -34 | 0 | 0 | 0 | 110.9 | G229 | P227-G229 PolarHBondContact O-N 3.28Š|
| 228 | S | 77.3 | Confident | 70.9 | Confident | 121 Ų | 121 | 130.5 Ų | 130.5 | 85% | 0.846 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -56.7 | 135 | 174.7 | -66.5 | 0 | 0 | 0 | 0 | 110.4 | | |
| 229 | G | 73.3 | Confident | 69.1 | Low | 73 Ų | 73 | 129.7 Ų | 129.7 | 75% | 0.753 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 140.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | P227 | P227-G229 PolarHBondContact O-N 3.28Š|
| 230 | L | 68.4 | Low | 67.5 | Low | 166 Ų | 166 | 132.3 Ų | 132.3 | 87% | 0.869 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 139.7 | 173.5 | -72.2 | 166.2 | 0 | 0 | 0 | 109.7 | G232 | L230-G232 PolarHBondContact O-N 2.96Š|
| 231 | P | 66.2 | Low | 65.9 | Low | 120 Ų | 120 | 134 Ų | 134 | 78% | 0.779 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -53.1 | 125.8 | 174.1 | -23.7 | 32.1 | 0 | 0 | 0 | 110.6 | S233 | P231-S233 PolarHBondContact O-N 3.27Å; P231-S233 VanDerWaalsContact O-N 3.12Å |
| 232 | G | 56.9 | Low | 64.3 | Low | 74 Ų | 74 | 135.8 Ų | 135.8 | 76% | 0.763 | 80% | 0.8 | S | S | * | * | | | trans | -61.7 | 114.1 | 178 | 0 | 0 | 0 | 0 | 0 | 110.3 | L230 C234 | L230-G232 PolarHBondContact O-N 2.96Å; G232-C234 VanDerWaalsContact C-N 3.3Å; G232-C234 PolarHBondContact O-N 3.48Å |
| 233 | S | 51.5 | Low | 62.8 | Low | 118 Ų | 118 | 138.4 Ų | 138.4 | 83% | 0.825 | 80% | 0.801 | S | S | * | * | | | trans | -74.7 | 86.5 | 171.5 | 49.1 | 0 | 0 | 0 | 0 | 109 | P231 R235 | P231-S233 PolarHBondContact O-N 3.27Å; P231-S233 VanDerWaalsContact O-N 3.12Å; S233-R235 PolarHBondContact O-N 3.49Å |
| 234 | C | 38.2 | Very low | 61.2 | Low | 120 Ų | 120 | 140.6 Ų | 140.6 | 81% | 0.811 | 81% | 0.805 | S | S | * | * | | | trans | -66.5 | 86.8 | 162.8 | -95.6 | 0 | 0 | 0 | 0 | 108.7 | G232 H236 | G232-C234 VanDerWaalsContact C-N 3.3Å; G232-C234 PolarHBondContact O-N 3.48Å; C234-H236 PolarHBondContact O-N 3.06Å |
| 235 | R | 45.1 | Very low | 59.6 | Low | 221 Ų | 221 | 139.1 Ų | 139.1 | 83% | 0.834 | 80% | 0.803 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.2 | 112.8 | 156.8 | -166.3 | 177.4 | -179.5 | 136.6 | 1.6 | 105.3 | S233 | S233-R235 PolarHBondContact O-N 3.49Š|
| 236 | H | 51.9 | Low | 58.2 | Low | 179 Ų | 179 | 137 Ų | 137 | 83% | 0.829 | 80% | 0.799 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 141.6 | 6.2 | 164.4 | -69.9 | 117 | 0 | 0 | 0 | 116.2 | C234 | C234-H236 PolarHBondContact O-N 3.06Š|
| 237 | C | 44 | Very low | 56.5 | Low | 110 Ų | 110 | 140.6 Ų | 140.6 | 74% | 0.743 | 81% | 0.812 | S | S | * | * | | | trans | -131.6 | 71.9 | 173.1 | -59.6 | 0 | 0 | 0 | 0 | 111.9 | | |
| 238 | Y | 49.8 | Very low | 54.8 | Low | 241 Ų | 241 | 137.3 Ų | 137.3 | 95% | 0.945 | 80% | 0.802 | S | S | * | * | | | trans | -167.3 | 62.8 | 159.6 | -111.7 | -77.9 | 0 | 0 | 0 | 109.3 | | |
| 239 | Q | 48.7 | Very low | 53.5 | Low | 170 Ų | 170 | 139.7 Ų | 139.7 | 79% | 0.794 | 81% | 0.805 | S | S | * | * | | | trans | -123.1 | 134.8 | 161 | -86.6 | 162.1 | -13.2 | 0 | 0 | 105.7 | | |
| 240 | H | 52.1 | Low | 52.2 | Low | 179 Ų | 179 | 140.4 Ų | 140.4 | 83% | 0.829 | 80% | 0.803 | S | S | * | * | S | Bend | trans | 78 | 89 | -177.9 | -47.8 | -80.6 | 0 | 0 | 0 | 114.5 | | |
| 241 | S | 54.6 | Low | 51.3 | Low | 100 Ų | 100 | 138.1 Ų | 138.1 | 70% | 0.699 | 80% | 0.801 | S | S | * | * | | | | 161.3 | 123.7 | 98.1 | 62.7 | 0 | 0 | 0 | 0 | 111 | | |
| 242 | N | 55 | Low | 50.5 | Low | 157 Ų | 157 | 138.8 Ų | 138.8 | 84% | 0.84 | 81% | 0.805 | S | S | * | * | | | trans | 85 | 91.5 | 152.9 | -48.2 | -40.9 | 0 | 0 | 0 | 118.7 | | |
| 243 | E | 55.7 | Low | 50.2 | Low | 183 Ų | 183 | 139.2 Ų | 139.2 | 86% | 0.855 | 80% | 0.802 | S | S | * | * | | | trans | -48.4 | -179.1 | 147.4 | -88.1 | -173.3 | 100.3 | 0 | 0 | 114.2 | | |
| 244 | P | 54.2 | Low | 50.2 | Low | 110 Ų | 110 | 142.9 Ų | 142.9 | 71% | 0.714 | 80% | 0.803 | S | S | * | * | | | cis | -140.3 | 156.7 | -36.9 | 36.4 | -19.2 | 0 | 0 | 0 | 113.6 | | |
| 245 | A | 54.9 | Low | 50.8 | Low | 101 Ų | 101 | 143.2 Ų | 143.2 | 84% | 0.835 | 80% | 0.802 | S | S | * | * | | | trans | -172.8 | 128 | 154.4 | 0 | 0 | 0 | 0 | 0 | 106.3 | | |
| 246 | D | 56.3 | Low | 51.2 | Low | 150 Ų | 150 | 139.3 Ų | 139.3 | 80% | 0.802 | 80% | 0.796 | S | S | * | * | | | cis | -167.2 | 130.6 | 24 | -161.6 | -15.6 | 0 | 0 | 0 | 107.2 | | |
| 247 | P | 50.2 | Low | 51.4 | Low | 128 Ų | 128 | 137.2 Ų | 137.2 | 83% | 0.831 | 79% | 0.79 | S | S | * | * | | | trans | -101 | 109.8 | 174 | 33.4 | -22.1 | 0 | 0 | 0 | 110.6 | | |
| 248 | G | 47.4 | Very low | 51.4 | Low | 63 Ų | 63 | 136.7 Ų | 136.7 | 65% | 0.649 | 79% | 0.787 | S | S | * | * | | | trans | 136.6 | 108.4 | 157.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 249 | L | 48.8 | Very low | 51.7 | Low | 171 Ų | 171 | 135 Ų | 135 | 90% | 0.895 | 79% | 0.785 | S | S | * | * | | | trans | -172.9 | 87.8 | 134.8 | -124.2 | 69.4 | 0 | 0 | 0 | 106.3 | | |
| 250 | A | 45.8 | Very low | 51.5 | Low | 88 Ų | 88 | 137.6 Ų | 137.6 | 73% | 0.727 | 79% | 0.788 | S | S | * | * | | | | 44.4 | 95.1 | 84.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 251 | S | 50.9 | Low | 51.9 | Low | 117 Ų | 117 | 140.7 Ų | 140.7 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | | | trans | -171.7 | 110.1 | 140.6 | -93 | 0 | 0 | 0 | 0 | 113 | | |
| 252 | P | 47.5 | Very low | 52.3 | Low | 134 Ų | 134 | 144.2 Ų | 144.2 | 87% | 0.87 | 80% | 0.797 | S | S | * | * | | | trans | -98.6 | 101 | 154.8 | 33.1 | -19.7 | 0 | 0 | 0 | 108.7 | | |
| 253 | A | 52.4 | Low | 52 | Low | 84 Ų | 84 | 140.6 Ų | 140.6 | 69% | 0.694 | 79% | 0.789 | S | S | * | * | | | trans | -140.8 | 103.8 | 170.3 | 0 | 0 | 0 | 0 | 0 | 106.7 | | |
| 254 | K | 50.9 | Low | 51.7 | Low | 195 Ų | 195 | 143.2 Ų | 143.2 | 85% | 0.848 | 79% | 0.791 | S | S | * | * | | | | 49.4 | 134.5 | 87.2 | -69.4 | -173 | 178.6 | -179.5 | 0 | 112.3 | | |
| 255 | T | 51.1 | Low | 51.8 | Low | 127 Ų | 127 | 148.4 Ų | 148.4 | 78% | 0.779 | 82% | 0.821 | S | S | * | * | | | trans | 84.4 | 112.5 | 178.2 | -11.3 | 0 | 0 | 0 | 0 | 111.9 | | |
| 256 | L | 53.1 | Low | 51.7 | Low | 139 Ų | 139 | 150.8 Ų | 150.8 | 73% | 0.728 | 82% | 0.82 | S | S | * | * | | | | -163.2 | 136.2 | 55.8 | -82.1 | 153.6 | 0 | 0 | 0 | 112 | | |
| 257 | I | 55.3 | Low | 51.4 | Low | 134 Ų | 134 | 150.8 Ų | 150.8 | 69% | 0.687 | 82% | 0.821 | S | S | * | * | | | trans | 75.5 | 88.8 | 136.1 | -58.3 | 168.1 | 0 | 0 | 0 | 117.7 | | |
| 258 | S | 45.1 | Very low | 51.5 | Low | 99 Ų | 99 | 152.1 Ų | 152.1 | 69% | 0.692 | 82% | 0.821 | S | S | * | * | | | | 22.9 | 99.6 | 127.1 | 56.7 | 0 | 0 | 0 | 0 | 118.3 | | |
| 259 | K | 55.1 | Low | 51.7 | Low | 206 Ų | 206 | 157.4 Ų | 157.4 | 90% | 0.896 | 83% | 0.831 | S | S | * | * | | | trans | -133.3 | 94.3 | 142.4 | -81.5 | -175.7 | -179.6 | 173.5 | 0 | 109.6 | | |
| 260 | W | 45.9 | Very low | 51.9 | Low | 224 Ų | 224 | 156.5 Ų | 156.5 | 85% | 0.848 | 83% | 0.827 | S | S | * | * | | | trans | 3.7 | 112.4 | 150.3 | -74.3 | 82.8 | 0 | 0 | 0 | 116.6 | | |
| 261 | R | 60.1 | Low | 52.3 | Low | 245 Ų | 245 | 161.1 Ų | 161.1 | 93% | 0.925 | 83% | 0.834 | S | S | * | * | | | trans | -169 | 125.7 | 131.7 | -108.8 | 168 | -155.9 | -111.7 | 2.3 | 110.9 | | |
| 262 | H | 62.7 | Low | 52.4 | Low | 173 Ų | 173 | 164.2 Ų | 164.2 | 80% | 0.801 | 84% | 0.835 | S | S | * | * | | | trans | -54.1 | 136 | 170.2 | -70.3 | 28.2 | 0 | 0 | 0 | 110.1 | | |
| 263 | A | 48.4 | Very low | 52.8 | Low | 81 Ų | 81 | 166.5 Ų | 166.5 | 67% | 0.669 | 83% | 0.832 | S | S | * | * | | | trans | -72.8 | 151 | 170.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 264 | R | 49.2 | Very low | 52.8 | Low | 238 Ų | 238 | 173.4 Ų | 173.4 | 90% | 0.898 | 84% | 0.843 | S | S | * | * | | | trans | 24.3 | 104.5 | 133.6 | -69.7 | 179.2 | -102.1 | -169.6 | -6.1 | 116.2 | | |
| 265 | T | 57.5 | Low | 53 | Low | 220 Ų | 220 | 171.5 Ų | 171.5 | 100% | 1.35 | 84% | 0.843 | S | S | * | * | | | | -139.2 | 0 | 92.4 | 35.7 | 0 | 0 | 0 | 0 | 108.4 | | |