| 1 | M | 45.7 | Very low | 52.9 | Low | 232 Ų | 232 | 169.1 Ų | 169.1 | 100% | 1.143 | 81% | 0.812 | S | S | * | * | | | | 0 | 87.6 | 0 | -62.2 | -66 | 177.3 | 0 | 0 | 107.6 | I3 | M1-I3 PolarHBondContact O-N 2.96Š|
| 2 | Q | 46.2 | Very low | 53.5 | Low | 192 Ų | 192 | 161.7 Ų | 161.7 | 90% | 0.897 | 79% | 0.791 | S | S | * | * | | | trans | -86.5 | 106.4 | -175.9 | -71.2 | 143 | -39.4 | 0 | 0 | 108.8 | T4 | Q2-T4 PolarHBondContact O-N 3.32Š|
| 3 | I | 59.6 | Low | 54.2 | Low | 150 Ų | 150 | 164.1 Ų | 164.1 | 77% | 0.769 | 80% | 0.795 | S | S | * | * | | | trans | -83.2 | 110.5 | 173.7 | -66.3 | 170.6 | 0 | 0 | 0 | 107 | M1 F5 | M1-I3 PolarHBondContact O-N 2.96Å; I3-F5 WeakPolarHBondContact O-CD2 3.41Å; I3-F5 PolarHBondContact O-N 2.64Å |
| 4 | T | 56.1 | Low | 54.7 | Low | 111 Ų | 111 | 164.7 Ų | 164.7 | 68% | 0.681 | 80% | 0.796 | S | S | * | * | | | trans | -69.7 | 116.3 | -179.4 | 38 | 0 | 0 | 0 | 0 | 110.6 | Q2 L6 | Q2-T4 PolarHBondContact O-N 3.32Å; T4-L6 PolarHBondContact O-N 2.92Å |
| 5 | F | 56.5 | Low | 55.1 | Low | 207 Ų | 207 | 160 Ų | 160 | 91% | 0.908 | 79% | 0.787 | S | S | * | * | | | trans | -72.2 | 55.9 | 175.4 | -78.4 | -99.9 | 0 | 0 | 0 | 112.3 | I3 | I3-F5 WeakPolarHBondContact O-CD2 3.41Å; I3-F5 PolarHBondContact O-N 2.64Å |
| 6 | L | 51.1 | Low | 56.1 | Low | 136 Ų | 136 | 157.6 Ų | 157.6 | 71% | 0.712 | 78% | 0.784 | S | S | * | * | | | trans | -106 | 46.1 | 176.2 | -81.5 | 165.2 | 0 | 0 | 0 | 111.7 | T4 I8 | T4-L6 PolarHBondContact O-N 2.92Å; L6-I8 PolarHBondContact O-N 2.91Å; L6-I8 VanDerWaalsContact O-N 3.16Å |
| 7 | H | 50.3 | Low | 56.4 | Low | 181 Ų | 181 | 156.6 Ų | 156.6 | 84% | 0.838 | 78% | 0.779 | S | S | * | * | | | trans | -84.4 | 84.8 | 155.2 | -80.2 | -103.9 | 0 | 0 | 0 | 107.2 | Y9 | H7-Y9 PolarHBondContact O-N 2.67Š|
| 8 | I | 51.6 | Low | 56.9 | Low | 142 Ų | 142 | 155.2 Ų | 155.2 | 73% | 0.728 | 78% | 0.78 | S | S | * | * | | | trans | -31.6 | 102.5 | 158.6 | -63.1 | 163.9 | 0 | 0 | 0 | 107.5 | L6 Y10 | L6-I8 PolarHBondContact O-N 2.91Å; L6-I8 VanDerWaalsContact O-N 3.16Å; I8-Y10 PolarHBondContact O-N 2.71Å |
| 9 | Y | 55 | Low | 57.2 | Low | 235 Ų | 235 | 153.6 Ų | 153.6 | 92% | 0.922 | 78% | 0.779 | S | S | * | * | | | trans | -72.8 | 83.6 | 176.1 | -148.2 | -96.3 | 0 | 0 | 0 | 106.1 | H7 S11 | H7-Y9 PolarHBondContact O-N 2.67Å; Y9-S11 PolarHBondContact O-N 3.45Å |
| 10 | Y | 56.1 | Low | 57.2 | Low | 189 Ų | 189 | 149.2 Ų | 149.2 | 74% | 0.741 | 77% | 0.774 | S | S | * | * | | | trans | -63.7 | 107.3 | -179.5 | 177.4 | -103.9 | 0 | 0 | 0 | 108.8 | I8 S12 | I8-Y10 PolarHBondContact O-N 2.71Å; Y10-S12 PolarHBondContact O-N 3.34Å |
| 11 | S | 53.4 | Low | 57.5 | Low | 85 Ų | 85 | 147.2 Ų | 147.2 | 59% | 0.594 | 77% | 0.772 | S | S | * | * | | | trans | -52.9 | 98.9 | 174.2 | 158.4 | 0 | 0 | 0 | 0 | 111.8 | Y9 | Y9-S11 PolarHBondContact O-N 3.45Š|
| 12 | S | 60.7 | Low | 58.5 | Low | 80 Ų | 80 | 144 Ų | 144 | 56% | 0.559 | 76% | 0.755 | S | S | * | * | | | trans | -95.3 | 94.7 | 159.6 | -70.9 | 0 | 0 | 0 | 0 | 109.3 | Y10 Q14 | Y10-S12 PolarHBondContact O-N 3.34Å; S12-Q14 PolarHBondContact O-N 3.08Å |
| 13 | K | 61.9 | Low | 59.6 | Low | 193 Ų | 193 | 142.8 Ų | 142.8 | 84% | 0.839 | 75% | 0.752 | S | S | * | * | | | trans | -67.4 | 86.6 | 162.8 | -65.3 | -174.4 | -175.9 | -175.4 | 0 | 107.5 | S15 | K13-S15 PolarHBondContact O-N 3.25Å; K13-S15 VanDerWaalsContact O-N 3.11Å |
| 14 | Q | 62.2 | Low | 60.1 | Low | 173 Ų | 173 | 142.1 Ų | 142.1 | 81% | 0.808 | 75% | 0.749 | S | S | * | * | | | trans | -73.1 | 106.3 | 170.1 | -75.1 | -177.9 | 32.2 | 0 | 0 | 107.9 | S12 T16 | S12-Q14 PolarHBondContact O-N 3.08Å; Q14-T16 PolarHBondContact O-N 3.13Å |
| 15 | S | 59.7 | Low | 60.8 | Low | 94 Ų | 94 | 141.2 Ų | 141.2 | 66% | 0.657 | 75% | 0.753 | S | S | * | * | | | trans | -59.9 | 109.5 | 171.4 | -173.2 | 0 | 0 | 0 | 0 | 108.8 | K13 M17 | K13-S15 PolarHBondContact O-N 3.25Å; K13-S15 VanDerWaalsContact O-N 3.11Å; S15-M17 PolarHBondContact O-N 3.16Å; S15-M17 WeakPolarHBondContact OG-CE 3.4Å |
| 16 | T | 71.1 | Confident | 61.9 | Low | 122 Ų | 122 | 141.5 Ų | 141.5 | 75% | 0.748 | 75% | 0.748 | S | S | * | * | | | trans | -69.1 | 97.9 | 174.2 | -56.2 | 0 | 0 | 0 | 0 | 108.4 | Q14 T18 | Q14-T16 PolarHBondContact O-N 3.13Å; T16-T18 PolarHBondContact O-N 3.11Å |
| 17 | M | 61.7 | Low | 63.4 | Low | 141 Ų | 141 | 141 Ų | 141 | 70% | 0.695 | 75% | 0.753 | S | S | * | * | | | trans | -71.6 | 109.6 | 165.4 | -62.5 | -74.5 | 79.5 | 0 | 0 | 107.6 | S15 V19 | S15-M17 PolarHBondContact O-N 3.16Å; S15-M17 WeakPolarHBondContact OG-CE 3.4Å; M17-V19 PolarHBondContact O-N 2.91Å |
| 18 | T | 65.7 | Low | 65.1 | Low | 131 Ų | 131 | 136.6 Ų | 136.6 | 80% | 0.804 | 74% | 0.742 | S | S | * | * | | | trans | -68.3 | 86.9 | 163.9 | 41.1 | 0 | 0 | 0 | 0 | 107.6 | T16 G20 | T16-T18 PolarHBondContact O-N 3.11Å; T18-G20 PolarHBondContact O-N 2.85Å |
| 19 | V | 63.1 | Low | 66.7 | Low | 125 Ų | 125 | 138.4 Ų | 138.4 | 76% | 0.758 | 75% | 0.75 | S | S | * | * | | | trans | -61.6 | 108.3 | 163.7 | 178.7 | 0 | 0 | 0 | 0 | 105.3 | M17 S21 | M17-V19 PolarHBondContact O-N 2.91Å; V19-S21 VanDerWaalsContact C-N 3.32Å; V19-S21 PolarHBondContact O-N 3.03Å |
| 20 | G | 55.6 | Low | 68.3 | Low | 65 Ų | 65 | 137.2 Ų | 137.2 | 67% | 0.67 | 74% | 0.744 | S | S | * | * | | | trans | -55.6 | 101.9 | 170.5 | 0 | 0 | 0 | 0 | 0 | 107.3 | T18 E22 | T18-G20 PolarHBondContact O-N 2.85Å; G20-E22 VanDerWaalsContact C-N 3.26Å; G20-E22 PolarHBondContact O-N 2.91Å |
| 21 | S | 64.4 | Low | 70 | Confident | 107 Ų | 107 | 136 Ų | 136 | 75% | 0.748 | 75% | 0.749 | S | S | * | * | | | trans | -68.9 | 95.7 | 171.3 | 41.2 | 0 | 0 | 0 | 0 | 106.1 | V19 I23 | V19-S21 VanDerWaalsContact C-N 3.32Å; V19-S21 PolarHBondContact O-N 3.03Å; S21-I23 PolarHBondContact O-N 3.29Å; S21-I23 VanDerWaalsContact O-N 3.11Å |
| 22 | E | 66.3 | Low | 71.7 | Confident | 166 Ų | 166 | 138.9 Ų | 138.9 | 78% | 0.776 | 76% | 0.757 | S | S | * | * | | | trans | -49.5 | 122.1 | 162.1 | -70 | -179.4 | 173.6 | 0 | 0 | 106.6 | G20 I24 | G20-E22 VanDerWaalsContact C-N 3.26Å; G20-E22 PolarHBondContact O-N 2.91Å; E22-I24 HydrophobicContact CB-CG1 4.35Å; E22-I24 PolarHBondContact O-N 2.99Å |
| 23 | I | 69.4 | Low | 73 | Confident | 165 Ų | 165 | 143 Ų | 143 | 85% | 0.846 | 77% | 0.771 | S | S | * | * | | | trans | -72.6 | 72.7 | 177.6 | -51.2 | 173.6 | 0 | 0 | 0 | 105.9 | S21 A25 | S21-I23 PolarHBondContact O-N 3.29Å; S21-I23 VanDerWaalsContact O-N 3.11Å; I23-A25 VanDerWaalsContact C-N 3.35Å; I23-A25 PolarHBondContact O-N 3.23Å |
| 24 | I | 70.9 | Confident | 74.1 | Confident | 137 Ų | 137 | 144.5 Ų | 144.5 | 70% | 0.703 | 77% | 0.772 | S | S | * | * | | | trans | -60.3 | 107.8 | 168.2 | -60.6 | 172.6 | 0 | 0 | 0 | 103.7 | E22 R26 | E22-I24 HydrophobicContact CB-CG1 4.35Å; E22-I24 PolarHBondContact O-N 2.99Å; I24-R26 PolarHBondContact O-N 2.99Å |
| 25 | A | 71.1 | Confident | 75.1 | Confident | 92 Ų | 92 | 141.5 Ų | 141.5 | 76% | 0.76 | 77% | 0.768 | S | S | * | * | | | trans | -65.7 | 74.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 108.3 | I23 | I23-A25 VanDerWaalsContact C-N 3.35Å; I23-A25 PolarHBondContact O-N 3.23Å |
| 26 | R | 79.4 | Confident | 76.2 | Confident | 212 Ų | 212 | 140 Ų | 140 | 80% | 0.8 | 75% | 0.752 | S | S | * | * | | | trans | -60.6 | 124 | 178.2 | -170.6 | 176 | -178.5 | -123.3 | 0.6 | 106.2 | I24 S28 | I24-R26 PolarHBondContact O-N 2.99Å; R26-S28 PolarHBondContact O-N 3.05Å |
| 27 | P | 82.6 | Confident | 76.7 | Confident | 126 Ų | 126 | 139.9 Ų | 139.9 | 82% | 0.818 | 75% | 0.753 | S | S | * | * | | | trans | -57 | 115.8 | 178.2 | 22.7 | -32.1 | 0 | 0 | 0 | 107.8 | | |
| 28 | S | 85 | Confident | 77.8 | Confident | 88 Ų | 88 | 138.9 Ų | 138.9 | 62% | 0.615 | 76% | 0.756 | S | S | * | * | | | trans | -107.9 | 125.2 | 179.6 | 58.1 | 0 | 0 | 0 | 0 | 108.8 | R26 | R26-S28 PolarHBondContact O-N 3.05Š|
| 29 | M | 86 | Confident | 78.7 | Confident | 181 Ų | 181 | 141.2 Ų | 141.2 | 89% | 0.892 | 75% | 0.749 | S | S | * | * | | | trans | -76.2 | 122.7 | 170.9 | -76.3 | -77.9 | -87.9 | 0 | 0 | 108.3 | | |
| 30 | R | 88.7 | Confident | 79.6 | Confident | 209 Ų | 209 | 147.2 Ų | 147.2 | 79% | 0.789 | 76% | 0.759 | S | S | * | * | | | trans | -105.6 | 115.7 | 175 | -66.6 | -173.2 | -177.3 | -154 | 1.6 | 109.2 | | |
| 31 | L | 90.2 | Very high | 80.8 | Confident | 164 Ų | 164 | 150.4 Ų | 150.4 | 86% | 0.859 | 76% | 0.756 | S | S | * | * | | | trans | -83.7 | 116.5 | 170.3 | -62.3 | 177.6 | 0 | 0 | 0 | 108.3 | | |
| 32 | I | 90.9 | Very high | 81.8 | Confident | 146 Ų | 146 | 151.7 Ų | 151.7 | 75% | 0.749 | 76% | 0.759 | S | S | * | * | | | trans | -102.7 | 114 | 174.7 | -57.1 | 175.5 | 0 | 0 | 0 | 107.2 | R34 | I32-R34 PolarHBondContact O-N 3.2Š|
| 33 | L | 87 | Confident | 82.9 | Confident | 165 Ų | 165 | 148.8 Ų | 148.8 | 86% | 0.864 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 124.5 | 173.3 | -62.4 | 176.9 | 0 | 0 | 0 | 108.7 | | |
| 34 | R | 85.6 | Confident | 83.9 | Confident | 225 Ų | 225 | 150.8 Ų | 150.8 | 85% | 0.849 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -92.1 | 135.9 | 171.5 | -66.5 | -177.1 | -176.7 | 150.4 | 1.1 | 108.9 | I32 D36 | I32-R34 PolarHBondContact O-N 3.2Å; R34-D36 PolarHBondContact O-N 3.4Å |
| 35 | P | 81.9 | Confident | 84.8 | Confident | 111 Ų | 111 | 147.7 Ų | 147.7 | 72% | 0.721 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 129.1 | 172.4 | 24 | -29.6 | 0 | 0 | 0 | 109.3 | | |
| 36 | D | 84.6 | Confident | 85.9 | Confident | 61 Ų | 61 | 149.9 Ų | 149.9 | 33% | 0.326 | 76% | 0.758 | S | S | . | * | | | trans | -82.3 | 115 | 176.2 | 174.1 | -4 | 0 | 0 | 0 | 108.8 | R34 T38 R39 | R34-D36 PolarHBondContact O-N 3.4Å; D36-T38 VanDerWaalsContact CG-OG1 3.3Å; D36-T38 PolarHBondContact O-N 3.11Å; D36-T38 VanDerWaalsContact O-N 3.16Å; D36-T38 WeakPolarHBondContact OD1-CB 3.46Å; D36-T38 PolarHBondContact OD1-N 3.19Å; D36-T38 PolarHBondContact OD1-OG1 2.94Å; D36-T38 PolarHBondContact OD2-OG1 3.15Å; D36-R39 HydrophobicContact CB-CB 4.36Å; D36-R39 HydrophobicContact CB-CG 3.88Å; D36-R39 PolarHBondContact O-N 3.03Å; D36-R39 VanDerWaalsContact O-N 3.13Å; D36-R39 WeakPolarHBondContact OD2-CG 3.48Å; D36-R39 IonicContact OD2-NE 3.55Å |
| 37 | P | 80.1 | Confident | 86.5 | Confident | 120 Ų | 120 | 142.6 Ų | 142.6 | 78% | 0.779 | 75% | 0.75 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.9 | -14.9 | -175.7 | 29.4 | -35.9 | 0 | 0 | 0 | 113.2 | | |
| 38 | T | 86 | Confident | 86.9 | Confident | 121 Ų | 121 | 140 Ų | 140 | 74% | 0.742 | 73% | 0.732 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.3 | -14.7 | 178 | 71.5 | 0 | 0 | 0 | 0 | 112.5 | D36 | D36-T38 VanDerWaalsContact CG-OG1 3.3Å; D36-T38 PolarHBondContact O-N 3.11Å; D36-T38 VanDerWaalsContact O-N 3.16Å; D36-T38 WeakPolarHBondContact OD1-CB 3.46Å; D36-T38 PolarHBondContact OD1-N 3.19Å; D36-T38 PolarHBondContact OD1-OG1 2.94Å; D36-T38 PolarHBondContact OD2-OG1 3.15Å |
| 39 | R | 82.9 | Confident | 86.9 | Confident | 179 Ų | 179 | 140.5 Ų | 140.5 | 68% | 0.675 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -74.9 | 138.8 | 178.6 | -76.5 | -177.9 | 174.8 | -122.4 | -4.9 | 110.5 | D36 H41 | D36-R39 HydrophobicContact CB-CB 4.36Å; D36-R39 HydrophobicContact CB-CG 3.88Å; D36-R39 PolarHBondContact O-N 3.03Å; D36-R39 VanDerWaalsContact O-N 3.13Å; D36-R39 WeakPolarHBondContact OD2-CG 3.48Å; D36-R39 IonicContact OD2-NE 3.55Å; R39-H41 PolarHBondContact O-CD2 3.06Å; R39-H41 PolarHBondContact O-N 3.26Å |
| 40 | R | 82.3 | Confident | 86.7 | Confident | 252 Ų | 252 | 137 Ų | 137 | 95% | 0.951 | 72% | 0.716 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 121.2 | 174.1 | -62.7 | -176.8 | -178.8 | -142 | 0.1 | 108.8 | | |
| 41 | H | 82.3 | Confident | 86.3 | Confident | 131 Ų | 131 | 131.7 Ų | 131.7 | 61% | 0.606 | 70% | 0.703 | S | S | * | * | P | Polyproline II helix | trans | -90 | 144.6 | 173.7 | -70.1 | -92.3 | 0 | 0 | 0 | 110.1 | R39 S43 | R39-H41 PolarHBondContact O-CD2 3.06Å; R39-H41 PolarHBondContact O-N 3.26Å; H41-S43 PolarHBondContact O-N 2.8Å |
| 42 | V | 85.6 | Confident | 85.8 | Confident | 135 Ų | 135 | 129.6 Ų | 129.6 | 82% | 0.818 | 69% | 0.689 | S | S | * | * | | | trans | -76.9 | 109.7 | 170.1 | -179.9 | 0 | 0 | 0 | 0 | 107.4 | | |
| 43 | S | 87.9 | Confident | 84.9 | Confident | 105 Ų | 105 | 129.3 Ų | 129.3 | 73% | 0.734 | 68% | 0.684 | S | S | * | * | | | trans | -111.6 | 138.4 | 172.8 | 57.9 | 0 | 0 | 0 | 0 | 109.9 | H41 | H41-S43 PolarHBondContact O-N 2.8Š|
| 44 | W | 90.5 | Very high | 84.5 | Confident | 206 Ų | 206 | 125 Ų | 125 | 78% | 0.78 | 66% | 0.662 | S | S | * | * | | | trans | -82.6 | 147.6 | 170.7 | -59.6 | 101.5 | 0 | 0 | 0 | 110.3 | T48 | W44-T48 HydrophobicContact CD2-CG2 4.17Å; W44-T48 HydrophobicContact CE3-CG2 3.54Å; W44-T48 HydrophobicContact CZ3-CG2 4.05Å |
| 45 | A | 91.1 | Very high | 83.7 | Confident | 72 Ų | 72 | 122.2 Ų | 122.2 | 60% | 0.595 | 66% | 0.663 | S | S | * | * | | | trans | -75.8 | 155.3 | 171.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | G47 T48 | A45-G47 PolarHBondContact O-N 3.16Å; A45-T48 PolarHBondContact N-OG1 2.89Å; A45-T48 WeakPolarHBondContact O-CB 3.07Å; A45-T48 PolarHBondContact O-N 3.25Å; A45-T48 PolarHBondContact O-OG1 3.38Å |
| 46 | S | 92.6 | Very high | 83.2 | Confident | 138 Ų | 138 | 125.1 Ų | 125.1 | 97% | 0.965 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.2 | -22.5 | -178.9 | 54.8 | 0 | 0 | 0 | 0 | 114.2 | | |
| 47 | G | 92.7 | Very high | 82.5 | Confident | 60 Ų | 60 | 129.6 Ų | 129.6 | 62% | 0.619 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.1 | 12.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | A45 V49 | A45-G47 PolarHBondContact O-N 3.16Å; G47-V49 PolarHBondContact O-N 3.37Å; G47-V49 VanDerWaalsContact O-N 3.15Å |
| 48 | T | 90.7 | Very high | 81.8 | Confident | 72 Ų | 72 | 130.8 Ų | 130.8 | 44% | 0.442 | 67% | 0.669 | S | S | . | * | | | trans | -65.8 | 115.3 | 175.1 | -65.1 | 0 | 0 | 0 | 0 | 109.6 | W44 A45 | W44-T48 HydrophobicContact CD2-CG2 4.17Å; W44-T48 HydrophobicContact CE3-CG2 3.54Å; W44-T48 HydrophobicContact CZ3-CG2 4.05Å; A45-T48 PolarHBondContact N-OG1 2.89Å; A45-T48 WeakPolarHBondContact O-CB 3.07Å; A45-T48 PolarHBondContact O-N 3.25Å; A45-T48 PolarHBondContact O-OG1 3.38Å |
| 49 | V | 85 | Confident | 80.9 | Confident | 97 Ų | 97 | 131.2 Ų | 131.2 | 59% | 0.588 | 68% | 0.678 | S | S | * | * | | | trans | -103.1 | 122.9 | 176.2 | -179.6 | 0 | 0 | 0 | 0 | 108.5 | G47 L54 | G47-V49 PolarHBondContact O-N 3.37Å; G47-V49 VanDerWaalsContact O-N 3.15Å; V49-L54 HydrophobicContact CG1-CD1 3.88Å |
| 50 | D | 82.2 | Confident | 80.2 | Confident | 109 Ų | 109 | 131 Ų | 131 | 58% | 0.583 | 68% | 0.682 | S | S | * | * | | | trans | -71.9 | 136.5 | 171.1 | 178.1 | 51.3 | 0 | 0 | 0 | 110.7 | E52 | D50-E52 WeakPolarHBondContact OD2-CB 3.15Å; D50-E52 PolarHBondContact OD2-N 3.42Å |
| 51 | N | 79.9 | Confident | 79.6 | Confident | 96 Ų | 96 | 119.9 Ų | 119.9 | 51% | 0.513 | 64% | 0.642 | S | S | . | * | | | trans | -95 | 8.2 | -172 | -71.9 | -57.9 | 0 | 0 | 0 | 113.3 | H53 | N51-H53 VanDerWaalsContact C-N 3.27Å; N51-H53 PolarHBondContact O-N 3.45Å |
| 52 | E | 79.8 | Confident | 78.8 | Confident | 121 Ų | 121 | 118.6 Ų | 118.6 | 57% | 0.565 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64 | -30.2 | -170.7 | -171.2 | 173.5 | -169.5 | 0 | 0 | 113.6 | D50 | D50-E52 WeakPolarHBondContact OD2-CB 3.15Å; D50-E52 PolarHBondContact OD2-N 3.42Å |
| 53 | H | 72.9 | Confident | 77.9 | Confident | 140 Ų | 140 | 114.3 Ų | 114.3 | 65% | 0.648 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -124.4 | 11.4 | -169.4 | -53.8 | 95.5 | 0 | 0 | 0 | 115.1 | N51 N55 | N51-H53 VanDerWaalsContact C-N 3.27Å; N51-H53 PolarHBondContact O-N 3.45Å; H53-N55 PolarHBondContact O-N 3.27Å |
| 54 | L | 78 | Confident | 76.9 | Confident | 75 Ų | 75 | 115.5 Ų | 115.5 | 39% | 0.393 | 63% | 0.625 | S | S | . | * | S | Bend | trans | -82.9 | 13.4 | -174.8 | -67.8 | -179.9 | 0 | 0 | 0 | 114.6 | V49 R56 | V49-L54 HydrophobicContact CG1-CD1 3.88Å; L54-R56 HydrophobicContact CB-CG 4.04Å; L54-R56 WeakPolarHBondContact O-CG 3.45Å; L54-R56 PolarHBondContact O-N 3.33Å |
| 55 | N | 69.2 | Low | 76 | Confident | 165 Ų | 165 | 114.1 Ų | 114.1 | 88% | 0.882 | 62% | 0.62 | S | S | * | * | | | trans | 47.4 | 23.1 | -170.7 | -65.6 | 92.1 | 0 | 0 | 0 | 113.6 | H53 | H53-N55 PolarHBondContact O-N 3.27Š|
| 56 | R | 71.6 | Confident | 75 | Confident | 172 Ų | 172 | 115.8 Ų | 115.8 | 65% | 0.649 | 62% | 0.623 | S | S | * | * | P | Polyproline II helix | trans | -85.9 | 138.4 | 176.1 | -70.3 | 179.8 | 177.7 | 174.6 | -2.4 | 108.4 | L54 K58 | L54-R56 HydrophobicContact CB-CG 4.04Å; L54-R56 WeakPolarHBondContact O-CG 3.45Å; L54-R56 PolarHBondContact O-N 3.33Å; R56-K58 PolarHBondContact O-N 3.04Å; R56-K58 VanDerWaalsContact O-N 3.11Å |
| 57 | K | 68.7 | Low | 74.1 | Confident | 156 Ų | 156 | 117 Ų | 117 | 68% | 0.678 | 61% | 0.611 | S | S | * | * | P | Polyproline II helix | trans | -54.1 | 118.5 | 175.6 | -72.6 | 175.7 | 173.5 | 165.7 | 0 | 109.3 | S59 C111 | K57-S59 PolarHBondContact O-N 3.34Å; K57-C111 WeakPolarHBondContact CE-SG 3.34Å; K57-C111 PolarHBondContact NZ-SG 3.29Å; K57-C111 VanDerWaalsContact NZ-SG 3.42Å |
| 58 | K | 65.9 | Low | 73.1 | Confident | 144 Ų | 144 | 118.7 Ų | 118.7 | 63% | 0.626 | 61% | 0.611 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 117.5 | 177.5 | -54.7 | -172.9 | -160.6 | -139.4 | 0 | 108 | R56 K60 | R56-K58 PolarHBondContact O-N 3.04Å; R56-K58 VanDerWaalsContact O-N 3.11Å; K58-K60 PolarHBondContact O-N 3.21Å |
| 59 | S | 66.2 | Low | 72.1 | Confident | 131 Ų | 131 | 123 Ų | 123 | 92% | 0.916 | 62% | 0.624 | S | S | * | * | S | Bend | trans | -79.2 | -2.9 | -174.9 | 56.2 | 0 | 0 | 0 | 0 | 113.9 | K57 | K57-S59 PolarHBondContact O-N 3.34Š|
| 60 | K | 69.6 | Low | 71.5 | Confident | 175 Ų | 175 | 125.7 Ų | 125.7 | 76% | 0.761 | 63% | 0.628 | S | S | * | * | S | Bend | trans | -137.5 | 127.7 | -176.2 | -168.8 | 180 | 174.2 | 80.2 | 0 | 110 | K58 C62 | K58-K60 PolarHBondContact O-N 3.21Å; K60-C62 PolarHBondContact O-N 3.42Å |
| 61 | C | 68.6 | Low | 71 | Confident | 18 Ų | 18 | 130.5 Ų | 130.5 | 12% | 0.122 | 64% | 0.644 | C | S | . | * | | | trans | -53 | 127.5 | 172.5 | 176 | 0 | 0 | 0 | 0 | 109.8 | C63 C87 | C61-C63 VanDerWaalsContact C-N 3.32Å; C61-C63 PolarHBondContact SG-N 3.38Å; C61-C63 VanDerWaalsContact SG-N 3.42Å; C61-C63 PolarHBondContact SG-O 3.02Å; C61-C63 VanDerWaalsContact SG-O 3.42Å; C61-C87 HydrophobicContact CB-CB 4.16Å; C61-C87 WeakPolarHBondContact SG-CB 3.43Å; C61-C87 PolarHBondContact SG-SG 2.98Å |
| 62 | C | 67 | Low | 70.4 | Confident | 104 Ų | 104 | 133 Ų | 133 | 70% | 0.703 | 66% | 0.657 | S | S | * | * | S | Bend | trans | -79.8 | -16 | 177.6 | 52.2 | 0 | 0 | 0 | 0 | 112.8 | K60 C87 | K60-C62 PolarHBondContact O-N 3.42Å; C62-C87 VanDerWaalsContact SG-SG 3.65Å |
| 63 | C | 64.9 | Low | 69.1 | Low | 44 Ų | 44 | 134.4 Ų | 134.4 | 30% | 0.297 | 66% | 0.663 | S | S | . | * | | | trans | -108.7 | 86.7 | -169.9 | -58.3 | 0 | 0 | 0 | 0 | 110.9 | C61 C84 H90 | C61-C63 VanDerWaalsContact C-N 3.32Å; C61-C63 PolarHBondContact SG-N 3.38Å; C61-C63 VanDerWaalsContact SG-N 3.42Å; C61-C63 PolarHBondContact SG-O 3.02Å; C61-C63 VanDerWaalsContact SG-O 3.42Å; C63-C84 PolarHBondContact SG-SG 3.21Å; C63-H90 PolarHBondContact O-CE1 3.16Å |
| 64 | V | 67.4 | Low | 68.2 | Low | 131 Ų | 131 | 133.1 Ų | 133.1 | 79% | 0.794 | 67% | 0.67 | S | S | * | * | | | trans | -90 | -23.3 | 170.3 | -173.3 | 0 | 0 | 0 | 0 | 111.2 | V66 | V64-V66 PolarHBondContact O-N 2.89Š|
| 65 | Y | 72.6 | Confident | 67.1 | Low | 176 Ų | 176 | 134.8 Ų | 134.8 | 69% | 0.69 | 69% | 0.688 | S | S | * | * | P | Polyproline II helix | trans | -81.1 | 118.8 | -176.6 | -177.8 | -102.2 | 0 | 0 | 0 | 111.6 | K67 P68 | Y65-K67 HydrophobicContact CE1-CB 3.93Å; Y65-K67 HydrophobicContact CE1-CG 4.43Å; Y65-P68 WeakPolarHBondContact OH-CD 3.48Å |
| 66 | V | 70.3 | Confident | 66.3 | Low | 107 Ų | 107 | 130.9 Ų | 130.9 | 65% | 0.648 | 67% | 0.674 | S | S | * | * | P | Polyproline II helix | trans | -98.9 | 124.6 | 162.4 | -176.8 | 0 | 0 | 0 | 0 | 106.9 | V64 | V64-V66 PolarHBondContact O-N 2.89Š|
| 67 | K | 73.6 | Confident | 65.3 | Low | 164 Ų | 164 | 131 Ų | 131 | 71% | 0.713 | 68% | 0.682 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 124.9 | 176.4 | -173.4 | -174.5 | -66.6 | 169.9 | 0 | 108.5 | Y65 K69 | Y65-K67 HydrophobicContact CE1-CB 3.93Å; Y65-K67 HydrophobicContact CE1-CG 4.43Å; K67-K69 PolarHBondContact O-N 3.2Å |
| 68 | P | 71.4 | Confident | 64.4 | Low | 96 Ų | 96 | 129.8 Ų | 129.8 | 62% | 0.623 | 68% | 0.683 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 129.6 | 177.6 | 24.1 | -30 | 0 | 0 | 0 | 109.6 | Y65 | Y65-P68 WeakPolarHBondContact OH-CD 3.48Š|
| 69 | K | 68.4 | Low | 63.8 | Low | 163 Ų | 163 | 129.6 Ų | 129.6 | 71% | 0.709 | 68% | 0.684 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 140 | 175.8 | -61.8 | -179 | -178.5 | -177.2 | 0 | 109.1 | K67 E79 | K67-K69 PolarHBondContact O-N 3.2Å; K69-E79 IonicContact NZ-OE1 2.69Å; K69-E79 PolarHBondContact NZ-OE1 3.47Å |
| 70 | K | 73.6 | Confident | 63.1 | Low | 153 Ų | 153 | 131.6 Ų | 131.6 | 67% | 0.665 | 68% | 0.679 | S | S | * | * | P | Polyproline II helix | trans | -69.4 | 133.3 | 170.9 | -70.6 | 178.6 | -178 | 172.4 | 0 | 107.9 | D72 E73 | K70-D72 PolarHBondContact O-N 2.89Å; K70-E73 PolarHBondContact O-N 3.38Å |
| 71 | F | 71 | Confident | 62.4 | Low | 210 Ų | 210 | 131.7 Ų | 131.7 | 92% | 0.921 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55 | -26.5 | -174.6 | 167.3 | -97.2 | 0 | 0 | 0 | 114.4 | | |
| 72 | D | 67.5 | Low | 61.8 | Low | 147 Ų | 147 | 138.4 Ų | 138.4 | 79% | 0.786 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.4 | -1.7 | -171.6 | -161.5 | 45.9 | 0 | 0 | 0 | 114.5 | K70 S74 | K70-D72 PolarHBondContact O-N 2.89Å; D72-S74 PolarHBondContact O-N 3.11Å |
| 73 | E | 52.8 | Low | 61.2 | Low | 151 Ų | 151 | 139.3 Ų | 139.3 | 71% | 0.706 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -87 | 96.3 | 173.5 | -68.2 | -172.8 | 147.7 | 0 | 0 | 108.5 | K70 S75 | K70-E73 PolarHBondContact O-N 3.38Å; E73-S75 PolarHBondContact O-N 3.44Å |
| 74 | S | 54.3 | Low | 60.7 | Low | 113 Ų | 113 | 139.7 Ų | 139.7 | 79% | 0.79 | 72% | 0.717 | S | S | * | * | | | trans | -30.2 | 131 | 166.7 | 179.5 | 0 | 0 | 0 | 0 | 111.8 | D72 S76 | D72-S74 PolarHBondContact O-N 3.11Å; S74-S76 VanDerWaalsContact C-N 3.28Å; S74-S76 PolarHBondContact O-N 3.36Å |
| 75 | S | 53.6 | Low | 60.4 | Low | 111 Ų | 111 | 137 Ų | 137 | 78% | 0.776 | 71% | 0.707 | S | S | * | * | | | trans | -54.8 | 78.5 | -176.4 | -170.5 | 0 | 0 | 0 | 0 | 113.1 | E73 | E73-S75 PolarHBondContact O-N 3.44Š|
| 76 | S | 53.4 | Low | 59.8 | Low | 83 Ų | 83 | 136.6 Ų | 136.6 | 58% | 0.58 | 71% | 0.712 | S | S | * | * | | | trans | -84.5 | 117.6 | 163 | -161.3 | 0 | 0 | 0 | 0 | 106.8 | S74 D78 | S74-S76 VanDerWaalsContact C-N 3.28Å; S74-S76 PolarHBondContact O-N 3.36Å; S76-D78 VanDerWaalsContact CB-OD2 3.31Å; S76-D78 WeakPolarHBondContact CB-OD2 3.42Å; S76-D78 PolarHBondContact O-N 3.37Å; S76-D78 PolarHBondContact OG-OD2 2.71Å |
| 77 | E | 50.1 | Low | 59.2 | Low | 174 Ų | 174 | 132.3 Ų | 132.3 | 81% | 0.813 | 69% | 0.686 | S | S | * | * | | | trans | -70 | 57.8 | -178.3 | -60.8 | 179.2 | 117.6 | 0 | 0 | 110.9 | | |
| 78 | D | 49.6 | Very low | 58.6 | Low | 131 Ų | 131 | 129.3 Ų | 129.3 | 70% | 0.701 | 69% | 0.686 | S | S | * | * | | | trans | -107.5 | 60.5 | 177.8 | -59.1 | -60.9 | 0 | 0 | 0 | 108.7 | S76 E80 | S76-D78 VanDerWaalsContact CB-OD2 3.31Å; S76-D78 WeakPolarHBondContact CB-OD2 3.42Å; S76-D78 PolarHBondContact O-N 3.37Å; S76-D78 PolarHBondContact OG-OD2 2.71Å; D78-E80 VanDerWaalsContact C-N 3.27Å |
| 79 | E | 53.6 | Low | 57.9 | Low | 140 Ų | 140 | 126.5 Ų | 126.5 | 65% | 0.654 | 68% | 0.675 | S | S | * | * | | | trans | -89.5 | 13.8 | 178.5 | -58.7 | -159.6 | 152.5 | 0 | 0 | 113.3 | K69 | K69-E79 IonicContact NZ-OE1 2.69Å; K69-E79 PolarHBondContact NZ-OE1 3.47Å |
| 80 | E | 52.6 | Low | 57.5 | Low | 173 Ų | 173 | 121.2 Ų | 121.2 | 81% | 0.808 | 65% | 0.652 | S | S | * | * | | | trans | -107.6 | 22.1 | -157.2 | -58.7 | -75.9 | 153.4 | 0 | 0 | 114.6 | D78 | D78-E80 VanDerWaalsContact C-N 3.27Š|
| 81 | E | 54.5 | Low | 56.9 | Low | 176 Ų | 176 | 119.6 Ų | 119.6 | 82% | 0.822 | 66% | 0.655 | S | S | * | * | | | trans | -155.5 | 49.4 | 175.7 | -138.6 | -177.2 | -177.4 | 0 | 0 | 116.8 | | |
| 82 | L | 55.9 | Low | 56.4 | Low | 160 Ų | 160 | 116.5 Ų | 116.5 | 84% | 0.838 | 64% | 0.643 | S | S | * | * | | | trans | -116.3 | 58.9 | 153.1 | -71.5 | 169.8 | 0 | 0 | 0 | 108.4 | C84 | L82-C84 PolarHBondContact O-N 3.19Š|
| 83 | D | 54.3 | Low | 55.8 | Low | 123 Ų | 123 | 113.9 Ų | 113.9 | 66% | 0.658 | 63% | 0.625 | S | S | * | * | | | trans | -70.1 | 82.7 | 167.7 | -171.4 | 28.8 | 0 | 0 | 0 | 108.7 | A85 | D83-A85 PolarHBondContact O-N 2.69Š|
| 84 | C | 55.1 | Low | 55.9 | Low | 52 Ų | 52 | 116.9 Ų | 116.9 | 35% | 0.351 | 63% | 0.63 | S | S | . | * | | | trans | -65.5 | 87 | 154.2 | -86.5 | 0 | 0 | 0 | 0 | 107.1 | C63 L82 H86 C87 | C63-C84 PolarHBondContact SG-SG 3.21Å; L82-C84 PolarHBondContact O-N 3.19Å; C84-H86 PolarHBondContact O-N 3.29Å; C84-C87 HydrophobicContact CB-CB 3.69Å; C84-C87 WeakPolarHBondContact CB-SG 3.42Å; C84-C87 WeakPolarHBondContact O-CB 3.49Å; C84-C87 PolarHBondContact O-N 2.99Å |
| 85 | A | 59.4 | Low | 56.2 | Low | 73 Ų | 73 | 118 Ų | 118 | 60% | 0.603 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -51 | -18.9 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | D83 | D83-A85 PolarHBondContact O-N 2.69Š|
| 86 | H | 60 | Low | 56.3 | Low | 169 Ų | 169 | 120.6 Ų | 120.6 | 78% | 0.782 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.5 | 5.5 | 179.7 | -63 | -41.9 | 0 | 0 | 0 | 115.2 | C84 S88 | C84-H86 PolarHBondContact O-N 3.29Å; H86-S88 PolarHBondContact O-N 3.37Å |
| 87 | C | 59 | Low | 56.3 | Low | 16 Ų | 16 | 125.1 Ų | 125.1 | 11% | 0.108 | 64% | 0.636 | C | S | . | * | | | trans | -94.1 | 88.5 | -179.1 | -79 | 0 | 0 | 0 | 0 | 111.8 | C61 C62 C84 G89 H90 | C61-C87 HydrophobicContact CB-CB 4.16Å; C61-C87 WeakPolarHBondContact SG-CB 3.43Å; C61-C87 PolarHBondContact SG-SG 2.98Å; C62-C87 VanDerWaalsContact SG-SG 3.65Å; C84-C87 HydrophobicContact CB-CB 3.69Å; C84-C87 WeakPolarHBondContact CB-SG 3.42Å; C84-C87 WeakPolarHBondContact O-CB 3.49Å; C84-C87 PolarHBondContact O-N 2.99Å; C87-G89 PolarHBondContact O-N 3.44Å; C87-H90 WeakPolarHBondContact CB-NE2 3.38Å |
| 88 | S | 60.6 | Low | 56.2 | Low | 101 Ų | 101 | 125.9 Ų | 125.9 | 71% | 0.706 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.2 | 14.7 | 178.2 | -65.6 | 0 | 0 | 0 | 0 | 115 | H86 | H86-S88 PolarHBondContact O-N 3.37Š|
| 89 | G | 55.8 | Low | 56.3 | Low | 38 Ų | 38 | 126 Ų | 126 | 39% | 0.392 | 64% | 0.644 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -149 | 28.3 | -160 | 0 | 0 | 0 | 0 | 0 | 116.7 | C87 V91 | C87-G89 PolarHBondContact O-N 3.44Å; G89-V91 PolarHBondContact O-N 3.33Å |
| 90 | H | 61.6 | Low | 56.2 | Low | 51 Ų | 51 | 127.2 Ų | 127.2 | 24% | 0.236 | 65% | 0.65 | C | S | . | * | | | trans | -68.9 | 101 | 163 | -64.7 | -72.1 | 0 | 0 | 0 | 107.9 | C63 C87 E92 K93 R94 | C63-H90 PolarHBondContact O-CE1 3.16Å; C87-H90 WeakPolarHBondContact CB-NE2 3.38Å; H90-E92 PolarHBondContact O-N 3.29Å; H90-E92 VanDerWaalsContact O-N 3.16Å; H90-K93 HydrophobicContact CB-CB 4.32Å; H90-K93 HydrophobicContact CB-CD 4.4Å; H90-K93 HydrophobicContact CB-CG 4.06Å; H90-K93 PolarHBondContact O-N 3.41Å; H90-R94 PolarHBondContact O-N 3.17Å |
| 91 | V | 59.9 | Low | 56.1 | Low | 119 Ų | 119 | 126.1 Ų | 126.1 | 72% | 0.721 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -54.4 | -33.3 | -177.8 | -71 | 0 | 0 | 0 | 0 | 112 | G89 K93 R94 | G89-V91 PolarHBondContact O-N 3.33Å; V91-K93 VanDerWaalsContact C-N 3.35Å; V91-K93 PolarHBondContact O-N 3.19Å; V91-R94 WeakPolarHBondContact O-CB 3.31Å; V91-R94 PolarHBondContact O-N 3.45Å |
| 92 | E | 60.4 | Low | 56.1 | Low | 145 Ų | 145 | 127.5 Ų | 127.5 | 68% | 0.678 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -63.3 | -38.5 | 177.3 | -60.6 | 179.6 | 144.1 | 0 | 0 | 112.1 | H90 R94 | H90-E92 PolarHBondContact O-N 3.29Å; H90-E92 VanDerWaalsContact O-N 3.16Å; E92-R94 VanDerWaalsContact C-N 3.32Å; E92-R94 PolarHBondContact O-N 2.82Å |
| 93 | K | 55.6 | Low | 55.8 | Low | 93 Ų | 93 | 128.8 Ų | 128.8 | 40% | 0.404 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -79.8 | -12.6 | 179.2 | -57 | -167.2 | -170.9 | -167.6 | 0 | 113 | H90 V91 V95 Q96 R97 | H90-K93 HydrophobicContact CB-CB 4.32Å; H90-K93 HydrophobicContact CB-CD 4.4Å; H90-K93 HydrophobicContact CB-CG 4.06Å; H90-K93 PolarHBondContact O-N 3.41Å; V91-K93 VanDerWaalsContact C-N 3.35Å; V91-K93 PolarHBondContact O-N 3.19Å; K93-V95 PolarHBondContact O-N 2.83Å; K93-Q96 PolarHBondContact O-N 2.92Å; K93-R97 PolarHBondContact O-N 2.83Å |
| 94 | R | 55.7 | Low | 55.4 | Low | 213 Ų | 213 | 132.4 Ų | 132.4 | 80% | 0.804 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -66.7 | -27.4 | -178.7 | -161.7 | 177.7 | -166.5 | -172.1 | 3.6 | 112.3 | H90 V91 E92 Q96 | H90-R94 PolarHBondContact O-N 3.17Å; V91-R94 WeakPolarHBondContact O-CB 3.31Å; V91-R94 PolarHBondContact O-N 3.45Å; E92-R94 VanDerWaalsContact C-N 3.32Å; E92-R94 PolarHBondContact O-N 2.82Å; R94-Q96 PolarHBondContact O-N 2.61Å |
| 95 | V | 58.7 | Low | 55.1 | Low | 136 Ų | 136 | 135.4 Ų | 135.4 | 82% | 0.824 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.1 | -28.3 | 177.2 | -172.9 | 0 | 0 | 0 | 0 | 111.3 | K93 | K93-V95 PolarHBondContact O-N 2.83Š|
| 96 | Q | 57.6 | Low | 54.4 | Low | 167 Ų | 167 | 135.5 Ų | 135.5 | 78% | 0.78 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.6 | -21.6 | -174.3 | -61.3 | -177.2 | 15.2 | 0 | 0 | 114 | K93 R94 K98 | K93-Q96 PolarHBondContact O-N 2.92Å; R94-Q96 PolarHBondContact O-N 2.61Å; Q96-K98 PolarHBondContact O-N 3.49Å |
| 97 | R | 52.3 | Low | 54 | Low | 178 Ų | 178 | 134.1 Ų | 134.1 | 67% | 0.672 | 67% | 0.668 | S | S | * | * | | | trans | -84.5 | 108.5 | -177 | -68.7 | -173.4 | 179.3 | -161.6 | -0.5 | 110.5 | K93 | K93-R97 PolarHBondContact O-N 2.83Š|
| 98 | K | 48 | Very low | 53.8 | Low | 190 Ų | 190 | 137.1 Ų | 137.1 | 83% | 0.826 | 70% | 0.702 | S | S | * | * | | | trans | -52.1 | 138.9 | 166.9 | -68.3 | -176.7 | 179.8 | 179.7 | 0 | 109.4 | Q96 H100 | Q96-K98 PolarHBondContact O-N 3.49Å; K98-H100 PolarHBondContact O-N 3.42Å |
| 99 | P | 51.6 | Low | 53.4 | Low | 133 Ų | 133 | 137.8 Ų | 137.8 | 86% | 0.864 | 69% | 0.694 | S | S | * | * | | | trans | -64.2 | 104.8 | -179.9 | 25.3 | -31.5 | 0 | 0 | 0 | 108.9 | | |
| 100 | H | 52.4 | Low | 53.1 | Low | 165 Ų | 165 | 141.2 Ų | 141.2 | 76% | 0.764 | 71% | 0.709 | S | S | * | * | | | trans | -77 | 125.9 | 162.9 | -169.6 | -73.6 | 0 | 0 | 0 | 107.3 | K98 R102 | K98-H100 PolarHBondContact O-N 3.42Å; H100-R102 PolarHBondContact O-N 2.8Å |
| 101 | D | 49.7 | Very low | 52.7 | Low | 151 Ų | 151 | 141.9 Ų | 141.9 | 81% | 0.807 | 72% | 0.719 | S | S | * | * | | | trans | -49.9 | 108.4 | 172.9 | -102.3 | -51.9 | 0 | 0 | 0 | 108.8 | E103 | D101-E103 PolarHBondContact O-N 2.86Š|
| 102 | R | 54.4 | Low | 52 | Low | 205 Ų | 205 | 144.7 Ų | 144.7 | 77% | 0.774 | 72% | 0.724 | S | S | * | * | | | trans | -89.8 | 95.3 | 167.1 | -76.6 | -165.4 | 168.3 | -160.2 | -1.7 | 105.5 | H100 K104 | H100-R102 PolarHBondContact O-N 2.8Å; R102-K104 PolarHBondContact O-N 3.04Å |
| 103 | E | 48.8 | Very low | 51.1 | Low | 187 Ų | 187 | 150.3 Ų | 150.3 | 87% | 0.874 | 75% | 0.75 | S | S | * | * | | | trans | -50.6 | 116.5 | 167.7 | -165.8 | 154.1 | 127.2 | 0 | 0 | 107.9 | D101 Q105 | D101-E103 PolarHBondContact O-N 2.86Å; E103-Q105 VanDerWaalsContact C-N 3.34Å; E103-Q105 PolarHBondContact O-N 3.42Å |
| 104 | K | 47.7 | Very low | 50.9 | Low | 199 Ų | 199 | 153.2 Ų | 153.2 | 87% | 0.865 | 77% | 0.767 | S | S | * | * | | | trans | -65.1 | 96.8 | -178.4 | -79.3 | 176.7 | 178.1 | 177.3 | 0 | 107.6 | R102 | R102-K104 PolarHBondContact O-N 3.04Š|
| 105 | Q | 48.4 | Very low | 50.6 | Low | 114 Ų | 114 | 150 Ų | 150 | 53% | 0.533 | 77% | 0.765 | S | S | . | * | P | Polyproline II helix | trans | -60.4 | 127.5 | 175.5 | -157.2 | 163.6 | 1.5 | 0 | 0 | 108.8 | E103 | E103-Q105 VanDerWaalsContact C-N 3.34Å; E103-Q105 PolarHBondContact O-N 3.42Å |
| 106 | P | 44.4 | Very low | 50.2 | Low | 75 Ų | 75 | 150.8 Ų | 150.8 | 49% | 0.487 | 76% | 0.762 | S | S | . | * | P | Polyproline II helix | trans | -62.2 | 148.5 | -175.4 | 21.4 | -30.8 | 0 | 0 | 0 | 111.4 | G108 | P106-G108 PolarHBondContact O-N 2.94Š|
| 107 | P | 50.8 | Low | 49.8 | Very low | 140 Ų | 140 | 149.8 Ų | 149.8 | 91% | 0.909 | 76% | 0.76 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.8 | 127.7 | -175.2 | 24.3 | -32.8 | 0 | 0 | 0 | 110.5 | | |
| 108 | G | 55 | Low | 49.6 | Very low | 79 Ų | 79 | 148.1 Ų | 148.1 | 81% | 0.814 | 77% | 0.766 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 113.3 | -2.5 | 170.6 | 0 | 0 | 0 | 0 | 0 | 116.7 | P106 | P106-G108 PolarHBondContact O-N 2.94Š|
| 109 | Q | 52.4 | Low | 49.7 | Very low | 116 Ų | 116 | 145.3 Ų | 145.3 | 54% | 0.542 | 76% | 0.762 | S | S | . | * | | | trans | -84.6 | 128.2 | 172.5 | -70.7 | -179.2 | 12.8 | 0 | 0 | 111.6 | | |
| 110 | P | 50.6 | Low | 49.6 | Very low | 110 Ų | 110 | 146.1 Ų | 146.1 | 71% | 0.714 | 76% | 0.755 | S | S | * | * | | | trans | -65.1 | 139.6 | 174.6 | 25.5 | -31 | 0 | 0 | 0 | 110.3 | Q112 | P110-Q112 PolarHBondContact O-N 3.04Š|
| 111 | C | 52.2 | Low | 49.4 | Very low | 64 Ų | 64 | 144.7 Ų | 144.7 | 43% | 0.432 | 75% | 0.754 | S | S | . | * | | | trans | -66.7 | 107 | 177 | -69 | 0 | 0 | 0 | 0 | 108.9 | K57 H113 | K57-C111 WeakPolarHBondContact CE-SG 3.34Å; K57-C111 PolarHBondContact NZ-SG 3.29Å; K57-C111 VanDerWaalsContact NZ-SG 3.42Å; C111-H113 PolarHBondContact O-N 2.94Å |
| 112 | Q | 45 | Very low | 49.3 | Very low | 178 Ų | 178 | 144.2 Ų | 144.2 | 83% | 0.832 | 75% | 0.75 | S | S | * | * | | | trans | -74 | 99.5 | 161.3 | -63.4 | -177.8 | -8.1 | 0 | 0 | 105.9 | P110 | P110-Q112 PolarHBondContact O-N 3.04Š|
| 113 | H | 42.2 | Very low | 48.9 | Very low | 263 Ų | 263 | 138.6 Ų | 138.6 | 100% | 1.218 | 75% | 0.747 | S | S | * | * | | | trans | 168.5 | 0 | 156.2 | -82.8 | 114.8 | 0 | 0 | 0 | 107.8 | C111 | C111-H113 PolarHBondContact O-N 2.94Š|