| 1 | M | 44 | Very low | 48.4 | Very low | 224 Ų | 224 | 152.1 Ų | 152.1 | 100% | 1.103 | 82% | 0.815 | S | S | * | * | | | | 0 | 98 | 0 | -172.5 | 179.3 | -62.4 | 0 | 0 | 107.3 | | |
| 2 | V | 42.1 | Very low | 49 | Very low | 126 Ų | 126 | 147.6 Ų | 147.6 | 76% | 0.764 | 80% | 0.804 | S | S | * | * | | | trans | -122.5 | 104.9 | 176.9 | 179.9 | 0 | 0 | 0 | 0 | 106.1 | L4 | V2-L4 HydrophobicContact CG1-CD1 3.98Å; V2-L4 PolarHBondContact O-N 2.67Å |
| 3 | Q | 48.8 | Very low | 49.8 | Very low | 178 Ų | 178 | 144.4 Ų | 144.4 | 83% | 0.832 | 80% | 0.795 | S | S | * | * | | | trans | -79.1 | 106.9 | 173.7 | -68.6 | -170.4 | 38.5 | 0 | 0 | 108 | | |
| 4 | L | 49.4 | Very low | 50.3 | Low | 141 Ų | 141 | 146.3 Ų | 146.3 | 74% | 0.738 | 80% | 0.795 | S | S | * | * | | | trans | -93.4 | 100.8 | 164.9 | -84.1 | 121.5 | 0 | 0 | 0 | 108.3 | V2 K6 | V2-L4 HydrophobicContact CG1-CD1 3.98Å; V2-L4 PolarHBondContact O-N 2.67Å; L4-K6 PolarHBondContact O-N 2.72Å; L4-K6 VanDerWaalsContact O-N 3.1Å |
| 5 | S | 55.3 | Low | 51.2 | Low | 120 Ų | 120 | 141.6 Ų | 141.6 | 84% | 0.839 | 77% | 0.769 | S | S | * | * | | | trans | -68.9 | 98.7 | 167.7 | 42.8 | 0 | 0 | 0 | 0 | 109.3 | S7 | S5-S7 PolarHBondContact O-N 3.35Š|
| 6 | K | 51.2 | Low | 52.1 | Low | 186 Ų | 186 | 145.1 Ų | 145.1 | 81% | 0.809 | 77% | 0.774 | S | S | * | * | | | trans | -85.7 | 103.4 | 164.8 | -72.7 | -178.5 | 179 | 174.7 | 0 | 107.7 | L4 G8 | L4-K6 PolarHBondContact O-N 2.72Å; L4-K6 VanDerWaalsContact O-N 3.1Å; K6-G8 PolarHBondContact O-N 3.08Å |
| 7 | S | 48.3 | Very low | 53.1 | Low | 114 Ų | 114 | 141.8 Ų | 141.8 | 80% | 0.797 | 77% | 0.773 | S | S | * | * | | | trans | -51.4 | 133.3 | 169.2 | 43.6 | 0 | 0 | 0 | 0 | 109.8 | S5 V9 | S5-S7 PolarHBondContact O-N 3.35Å; S7-V9 PolarHBondContact O-N 3.49Å |
| 8 | G | 44.4 | Very low | 54.2 | Low | 69 Ų | 69 | 137 Ų | 137 | 71% | 0.711 | 76% | 0.761 | S | S | * | * | | | trans | -54.9 | 128.3 | -177.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | K6 R10 | K6-G8 PolarHBondContact O-N 3.08Å; G8-R10 PolarHBondContact O-N 3.19Å |
| 9 | V | 43.5 | Very low | 55.3 | Low | 122 Ų | 122 | 138.3 Ų | 138.3 | 74% | 0.739 | 76% | 0.761 | S | S | * | * | | | trans | -60.4 | 103.9 | 170.6 | 86.1 | 0 | 0 | 0 | 0 | 106.9 | S7 E11 | S7-V9 PolarHBondContact O-N 3.49Å; V9-E11 VanDerWaalsContact C-N 3.31Å; V9-E11 PolarHBondContact O-N 3.13Å |
| 10 | R | 51.7 | Low | 55.9 | Low | 229 Ų | 229 | 136.1 Ų | 136.1 | 86% | 0.864 | 75% | 0.753 | S | S | * | * | | | trans | -77.3 | 99.1 | 160.6 | -73.1 | -70.6 | -176.6 | 173.7 | -1.6 | 103.7 | G8 S12 | G8-R10 PolarHBondContact O-N 3.19Å; R10-S12 PolarHBondContact O-N 3.02Å |
| 11 | E | 53.2 | Low | 56.5 | Low | 164 Ų | 164 | 133.2 Ų | 133.2 | 77% | 0.766 | 74% | 0.741 | S | S | * | * | | | trans | -45.5 | 92.9 | 163.3 | -76.5 | -79 | 157.4 | 0 | 0 | 108.1 | V9 P13 | V9-E11 VanDerWaalsContact C-N 3.31Å; V9-E11 PolarHBondContact O-N 3.13Å; E11-P13 VanDerWaalsContact O-CD 3.29Å; E11-P13 WeakPolarHBondContact O-CD 2.99Å |
| 12 | S | 55.8 | Low | 57.8 | Low | 98 Ų | 98 | 126.6 Ų | 126.6 | 69% | 0.685 | 72% | 0.722 | S | S | * | * | | | trans | -82.4 | 109.5 | 170.2 | 48.7 | 0 | 0 | 0 | 0 | 105.5 | R10 E14 | R10-S12 PolarHBondContact O-N 3.02Å; S12-E14 PolarHBondContact O-N 3.38Å; S12-E14 VanDerWaalsContact O-N 3.11Å |
| 13 | P | 60.4 | Low | 58.6 | Low | 106 Ų | 106 | 123.6 Ų | 123.6 | 69% | 0.688 | 70% | 0.703 | S | S | * | * | | | trans | -55.8 | 124.9 | 173.1 | 23.3 | -32 | 0 | 0 | 0 | 107.5 | E11 L15 | E11-P13 VanDerWaalsContact O-CD 3.29Å; E11-P13 WeakPolarHBondContact O-CD 2.99Å; P13-L15 WeakPolarHBondContact O-CG 3.49Å; P13-L15 PolarHBondContact O-N 3.12Å |
| 14 | E | 56 | Low | 59.6 | Low | 171 Ų | 171 | 122.5 Ų | 122.5 | 80% | 0.799 | 70% | 0.696 | S | S | * | * | | | trans | -49.1 | 101.9 | -176.9 | -77.2 | -176.2 | 158.5 | 0 | 0 | 110.5 | S12 K16 | S12-E14 PolarHBondContact O-N 3.38Å; S12-E14 VanDerWaalsContact O-N 3.11Å; E14-K16 PolarHBondContact O-N 3.07Å |
| 15 | L | 63.3 | Low | 60.4 | Low | 76 Ų | 76 | 120.9 Ų | 120.9 | 40% | 0.398 | 70% | 0.703 | S | S | . | * | | | trans | -76.1 | 122.6 | 173.4 | -60.6 | 177.8 | 0 | 0 | 0 | 106.3 | P13 A17 G18 P20 | P13-L15 WeakPolarHBondContact O-CG 3.49Å; P13-L15 PolarHBondContact O-N 3.12Å; L15-A17 PolarHBondContact O-N 3.16Å; L15-G18 PolarHBondContact O-N 3.25Å; L15-P20 HydrophobicContact CD1-CB 4.49Å |
| 16 | K | 65.8 | Low | 61.2 | Low | 197 Ų | 197 | 118.5 Ų | 118.5 | 86% | 0.857 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60 | -2 | -176.7 | -71.6 | -67.9 | 173.9 | -162.9 | 0 | 115.4 | E14 | E14-K16 PolarHBondContact O-N 3.07Š|
| 17 | A | 69.8 | Low | 62.1 | Low | 90 Ų | 90 | 112.6 Ų | 112.6 | 74% | 0.744 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -158 | 23.3 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | L15 H19 | L15-A17 PolarHBondContact O-N 3.16Å; A17-H19 PolarHBondContact O-N 3.01Å |
| 18 | G | 73.2 | Confident | 63.4 | Low | 55 Ų | 55 | 115.1 Ų | 115.1 | 57% | 0.567 | 69% | 0.686 | S | S | * | * | S | Bend | trans | 67.3 | -4.8 | -179.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | L15 | L15-G18 PolarHBondContact O-N 3.25Š|
| 19 | H | 74.3 | Confident | 64.6 | Low | 162 Ų | 162 | 121.7 Ų | 121.7 | 75% | 0.75 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -97 | 127 | 172.4 | -86.4 | 7.8 | 0 | 0 | 0 | 111.5 | A17 | A17-H19 PolarHBondContact O-N 3.01Š|
| 20 | P | 67.8 | Low | 65.7 | Low | 94 Ų | 94 | 120.7 Ų | 120.7 | 61% | 0.61 | 68% | 0.683 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 141.9 | 175.3 | 27.8 | -32.9 | 0 | 0 | 0 | 108.6 | L15 A22 | L15-P20 HydrophobicContact CD1-CB 4.49Å; P20-A22 PolarHBondContact O-N 3.17Å |
| 21 | P | 68.9 | Low | 66.4 | Low | 76 Ų | 76 | 115 Ų | 115 | 49% | 0.494 | 67% | 0.674 | S | S | . | * | P | Polyproline II helix | trans | -60.6 | 137.3 | -179.5 | 27.2 | -34.9 | 0 | 0 | 0 | 109.3 | V23 | P21-V23 WeakPolarHBondContact CB-O 2.99Å; P21-V23 PolarHBondContact O-N 3.07Å |
| 22 | A | 70.1 | Confident | 67.3 | Low | 85 Ų | 85 | 116.4 Ų | 116.4 | 70% | 0.702 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -56.2 | -19.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | P20 R29 V30 | P20-A22 PolarHBondContact O-N 3.17Å; A22-R29 WeakPolarHBondContact O-CA 2.87Å; A22-V30 PolarHBondContact O-N 3.12Å |
| 23 | V | 59.9 | Low | 67.7 | Low | 63 Ų | 63 | 120.6 Ų | 120.6 | 38% | 0.382 | 68% | 0.683 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -137.7 | 122.9 | -178.4 | 172.9 | 0 | 0 | 0 | 0 | 108.9 | P21 G27 K28 R29 | P21-V23 WeakPolarHBondContact CB-O 2.99Å; P21-V23 PolarHBondContact O-N 3.07Å; V23-G27 VanDerWaalsContact CG1-CA 3.41Å; V23-K28 WeakPolarHBondContact CA-O 3.08Å; V23-R29 HydrophobicContact CG2-CG 4.11Å |
| 24 | K | 69.6 | Low | 67.1 | Low | 154 Ų | 154 | 120.5 Ų | 120.5 | 67% | 0.67 | 69% | 0.685 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -70 | 148.1 | 167.6 | -168.4 | 170.3 | -176.9 | 178 | 0 | 108.3 | G26 G27 K28 | K24-G26 PolarHBondContact O-N 3.38Å; K24-G27 PolarHBondContact O-N 2.89Å; K24-K28 PolarHBondContact N-O 3.04Å |
| 25 | A | 66.6 | Low | 66.6 | Low | 108 Ų | 108 | 118.6 Ų | 118.6 | 89% | 0.893 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -43.8 | 119.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 26 | G | 72.6 | Confident | 65.5 | Low | 70 Ų | 70 | 123.2 Ų | 123.2 | 72% | 0.722 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 112.4 | 14.7 | -170.1 | 0 | 0 | 0 | 0 | 0 | 116.5 | K24 K28 | K24-G26 PolarHBondContact O-N 3.38Å; G26-K28 PolarHBondContact O-N 3.28Å; G26-K28 VanDerWaalsContact O-N 3.15Å |
| 27 | G | 68.2 | Low | 64.4 | Low | 61 Ų | 61 | 121.9 Ų | 121.9 | 63% | 0.629 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 76.2 | 2.2 | 168.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | V23 K24 | V23-G27 VanDerWaalsContact CG1-CA 3.41Å; K24-G27 PolarHBondContact O-N 2.89Å |
| 28 | K | 76.7 | Confident | 62.7 | Low | 167 Ų | 167 | 121.1 Ų | 121.1 | 73% | 0.726 | 69% | 0.694 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -91.3 | 120.2 | -178.5 | -65.8 | 175.9 | -172.9 | -84.5 | 0 | 110.4 | V23 K24 G26 | V23-K28 WeakPolarHBondContact CA-O 3.08Å; K24-K28 PolarHBondContact N-O 3.04Å; G26-K28 PolarHBondContact O-N 3.28Å; G26-K28 VanDerWaalsContact O-N 3.15Å |
| 29 | R | 69.1 | Low | 60.8 | Low | 208 Ų | 208 | 126.8 Ų | 126.8 | 79% | 0.785 | 71% | 0.706 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -68.7 | 140 | 175.5 | -62.7 | -169.4 | -58.6 | -107 | 2.3 | 110.7 | A22 V23 V31 | A22-R29 WeakPolarHBondContact O-CA 2.87Å; V23-R29 HydrophobicContact CG2-CG 4.11Å; R29-V31 PolarHBondContact O-N 3.24Å |
| 30 | V | 67.3 | Low | 59.3 | Low | 101 Ų | 101 | 123.4 Ų | 123.4 | 61% | 0.612 | 71% | 0.706 | S | S | * | * | | | trans | -83.5 | 111.5 | 169.2 | -178 | 0 | 0 | 0 | 0 | 107.6 | A22 K32 | A22-V30 PolarHBondContact O-N 3.12Å; V30-K32 PolarHBondContact O-N 3.35Å |
| 31 | V | 66.8 | Low | 58 | Low | 110 Ų | 110 | 125.8 Ų | 125.8 | 67% | 0.667 | 72% | 0.719 | S | S | * | * | | | trans | -72.2 | 119.2 | 175.1 | 173.6 | 0 | 0 | 0 | 0 | 108.8 | R29 K33 | R29-V31 PolarHBondContact O-N 3.24Å; V31-K33 HydrophobicContact CG1-CG 4.27Å; V31-K33 PolarHBondContact O-N 3.44Å |
| 32 | K | 71.6 | Confident | 56.5 | Low | 193 Ų | 193 | 130 Ų | 130 | 84% | 0.839 | 73% | 0.732 | S | S | * | * | | | trans | -74.7 | 109 | 166 | -179.4 | 165 | 175.1 | 165 | 0 | 107.9 | V30 S34 | V30-K32 PolarHBondContact O-N 3.35Å; K32-S34 PolarHBondContact O-N 2.84Å |
| 33 | K | 63.2 | Low | 54.9 | Low | 185 Ų | 185 | 135.4 Ų | 135.4 | 80% | 0.804 | 74% | 0.742 | S | S | * | * | | | trans | -86.3 | 102.5 | 174.9 | -36.5 | -146 | -69.4 | -178 | 0 | 106.3 | V31 C35 | V31-K33 HydrophobicContact CG1-CG 4.27Å; V31-K33 PolarHBondContact O-N 3.44Å; K33-C35 PolarHBondContact O-N 2.97Å |
| 34 | S | 48.3 | Very low | 53.8 | Low | 105 Ų | 105 | 137.6 Ų | 137.6 | 73% | 0.734 | 76% | 0.755 | S | S | * | * | | | trans | -73.4 | 113.3 | 164.1 | 51.5 | 0 | 0 | 0 | 0 | 107.2 | K32 E36 | K32-S34 PolarHBondContact O-N 2.84Å; S34-E36 PolarHBondContact O-N 3.14Å |
| 35 | C | 45.2 | Very low | 52 | Low | 130 Ų | 130 | 136.8 Ų | 136.8 | 88% | 0.878 | 76% | 0.758 | S | S | * | * | | | trans | -81.8 | 93.9 | 165.4 | 178.8 | 0 | 0 | 0 | 0 | 106.6 | K33 | K33-C35 PolarHBondContact O-N 2.97Š|
| 36 | E | 41.8 | Very low | 51 | Low | 173 Ų | 173 | 136.5 Ų | 136.5 | 81% | 0.808 | 75% | 0.747 | S | S | * | * | | | trans | -139.9 | 104.3 | 159.7 | -160.1 | 126 | 172.9 | 0 | 0 | 107 | S34 | S34-E36 PolarHBondContact O-N 3.14Š|
| 37 | E | 42.3 | Very low | 49.3 | Very low | 169 Ų | 169 | 141.3 Ų | 141.3 | 79% | 0.79 | 75% | 0.751 | S | S | * | * | | | trans | 31.7 | 119.4 | 141.3 | -159.1 | 138.2 | -107.7 | 0 | 0 | 118.2 | | |
| 38 | S | 33.6 | Very low | 48.3 | Very low | 74 Ų | 74 | 148.9 Ų | 148.9 | 52% | 0.517 | 76% | 0.76 | S | S | . | * | | | | 122.3 | 121.6 | 120.9 | -100.3 | 0 | 0 | 0 | 0 | 120.8 | | |
| 39 | H | 33.4 | Very low | 46.7 | Very low | 175 Ų | 175 | 147.2 Ų | 147.2 | 81% | 0.81 | 76% | 0.755 | S | S | * | * | | | trans | 83.5 | 115.1 | 142.5 | -53 | -49.2 | 0 | 0 | 0 | 121.4 | | |
| 40 | A | 43 | Very low | 45.4 | Very low | 90 Ų | 90 | 146.4 Ų | 146.4 | 74% | 0.744 | 76% | 0.76 | S | S | * | * | | | trans | 73.2 | 77.8 | 132.5 | 0 | 0 | 0 | 0 | 0 | 118.6 | H42 | A40-H42 PolarHBondContact O-N 2.88Š|
| 41 | T | 39.3 | Very low | 44.5 | Very low | 144 Ų | 144 | 149 Ų | 149 | 88% | 0.883 | 76% | 0.763 | S | S | * | * | | | trans | -77.2 | 97.9 | 154.3 | -14.4 | 0 | 0 | 0 | 0 | 109.2 | H43 | T41-H43 PolarHBondContact O-N 3.45Š|
| 42 | H | 38.1 | Very low | 43.7 | Very low | 166 Ų | 166 | 150.1 Ų | 150.1 | 77% | 0.769 | 77% | 0.77 | S | S | * | * | | | trans | -47.8 | 112.3 | 165.3 | -114.9 | -105 | 0 | 0 | 0 | 110.8 | A40 V44 | A40-H42 PolarHBondContact O-N 2.88Å; H42-V44 HydrophobicContact CB-CG2 4.37Å; H42-V44 WeakPolarHBondContact ND1-CG2 3.34Å; H42-V44 PolarHBondContact O-N 3.42Å |
| 43 | H | 36.6 | Very low | 42.6 | Very low | 198 Ų | 198 | 146.4 Ų | 146.4 | 92% | 0.917 | 77% | 0.766 | S | S | * | * | | | trans | -85.4 | 101.6 | 164.6 | -118.5 | -91.5 | 0 | 0 | 0 | 108.3 | T41 | T41-H43 PolarHBondContact O-N 3.45Š|
| 44 | V | 36.6 | Very low | 42.2 | Very low | 108 Ų | 108 | 147.1 Ų | 147.1 | 66% | 0.655 | 77% | 0.769 | S | S | * | * | | | trans | -122.2 | 130.1 | 172.8 | 171.9 | 0 | 0 | 0 | 0 | 103.9 | H42 | H42-V44 HydrophobicContact CB-CG2 4.37Å; H42-V44 WeakPolarHBondContact ND1-CG2 3.34Å; H42-V44 PolarHBondContact O-N 3.42Å |
| 45 | N | 31 | Very low | 42.1 | Very low | 137 Ų | 137 | 147.7 Ų | 147.7 | 73% | 0.733 | 77% | 0.77 | S | S | * | * | | | cis | -162.9 | 160.7 | 12.2 | -172.8 | -72.8 | 0 | 0 | 0 | 106.8 | | |
| 46 | P | 46.9 | Very low | 42.3 | Very low | 103 Ų | 103 | 153 Ų | 153 | 67% | 0.669 | 77% | 0.771 | S | S | * | * | | | trans | -82.7 | -169.8 | 175.7 | -3 | 24.5 | 0 | 0 | 0 | 113.4 | | |
| 47 | E | 37.6 | Very low | 43 | Very low | 170 Ų | 170 | 150.9 Ų | 150.9 | 79% | 0.794 | 78% | 0.776 | S | S | * | * | | | trans | 77.6 | 103.6 | 177.2 | -80.4 | -159.2 | 136.3 | 0 | 0 | 116.3 | | |
| 48 | R | 46.4 | Very low | 43.5 | Very low | 220 Ų | 220 | 147 Ų | 147 | 83% | 0.83 | 77% | 0.772 | S | S | * | * | | | | 57.8 | 128.4 | 62.1 | -50.3 | -172.2 | -152 | 164.7 | 7.8 | 113.5 | | |
| 49 | E | 43 | Very low | 44.6 | Very low | 132 Ų | 132 | 147.8 Ų | 147.8 | 62% | 0.617 | 78% | 0.783 | S | S | * | * | | | trans | 90 | 99.7 | 163.2 | -46.3 | -152.6 | 177.2 | 0 | 0 | 117.5 | K51 | E49-K51 WeakPolarHBondContact OE2-CE 3.49Å; E49-K51 IonicContact OE2-NZ 2.65Å; E49-K51 PolarHBondContact OE2-NZ 3.36Å |
| 50 | H | 42.5 | Very low | 45.8 | Very low | 192 Ų | 192 | 146.2 Ų | 146.2 | 89% | 0.889 | 79% | 0.786 | S | S | * | * | | | trans | -145.9 | 134.8 | 131.2 | -117.1 | -80 | 0 | 0 | 0 | 111.3 | | |
| 51 | K | 46.8 | Very low | 46.7 | Very low | 154 Ų | 154 | 144.2 Ų | 144.2 | 67% | 0.67 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 140.9 | -162.6 | -42 | -72.8 | 172.7 | 179.4 | 0 | 111.1 | E49 P53 | E49-K51 WeakPolarHBondContact OE2-CE 3.49Å; E49-K51 IonicContact OE2-NZ 2.65Å; E49-K51 PolarHBondContact OE2-NZ 3.36Å; K51-P53 WeakPolarHBondContact O-CD 3.4Å |
| 52 | V | 51.6 | Low | 48.3 | Very low | 135 Ų | 135 | 140.2 Ų | 140.2 | 82% | 0.818 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -71.9 | 127.3 | 178.1 | 174.3 | 0 | 0 | 0 | 0 | 111.2 | | |
| 53 | P | 47.9 | Very low | 49.6 | Very low | 115 Ų | 115 | 142.1 Ų | 142.1 | 75% | 0.747 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -88.2 | 130.3 | 157 | 31.9 | -27.6 | 0 | 0 | 0 | 110.1 | K51 P55 | K51-P53 WeakPolarHBondContact O-CD 3.4Å; P53-P55 VanDerWaalsContact O-CD 3.3Å; P53-P55 WeakPolarHBondContact O-CD 3.29Å |
| 54 | K | 54.7 | Low | 51 | Low | 200 Ų | 200 | 139.7 Ų | 139.7 | 87% | 0.87 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -71.6 | 117 | 179.3 | -162.7 | 112.8 | 175.5 | 178.3 | 0 | 110.5 | | |
| 55 | P | 45.9 | Very low | 52.7 | Low | 116 Ų | 116 | 139.9 Ų | 139.9 | 75% | 0.753 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -85 | 135.9 | 169.6 | 31.3 | -28.1 | 0 | 0 | 0 | 110.5 | P53 | P53-P55 VanDerWaalsContact O-CD 3.3Å; P53-P55 WeakPolarHBondContact O-CD 3.29Å |
| 56 | R | 50.1 | Low | 54.5 | Low | 241 Ų | 241 | 138.5 Ų | 138.5 | 91% | 0.909 | 72% | 0.719 | S | S | * | * | P | Polyproline II helix | trans | -54.5 | 146 | 173.4 | -67.5 | 168.1 | -156.8 | 149 | 8.5 | 110.1 | A58 | R56-A58 PolarHBondContact O-N 3.15Š|
| 57 | S | 55.8 | Low | 55.6 | Low | 130 Ų | 130 | 137.5 Ų | 137.5 | 91% | 0.909 | 71% | 0.707 | S | S | * | * | | | trans | -31.9 | 95.7 | 173.3 | -173 | 0 | 0 | 0 | 0 | 112.6 | | |
| 58 | A | 53.7 | Low | 57 | Low | 86 Ų | 86 | 132.6 Ų | 132.6 | 71% | 0.711 | 69% | 0.691 | S | S | * | * | | | trans | -95.1 | 126.8 | 161.2 | 0 | 0 | 0 | 0 | 0 | 105.5 | R56 T60 | R56-A58 PolarHBondContact O-N 3.15Å; A58-T60 PolarHBondContact O-N 3.07Å |
| 59 | A | 56.8 | Low | 58.1 | Low | 91 Ų | 91 | 127.4 Ų | 127.4 | 75% | 0.752 | 68% | 0.684 | S | S | * | * | | | trans | -36.9 | 132.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | S61 | A59-S61 PolarHBondContact O-N 2.79Š|
| 60 | T | 58.5 | Low | 59.3 | Low | 143 Ų | 143 | 127.4 Ų | 127.4 | 88% | 0.877 | 69% | 0.688 | S | S | * | * | | | trans | -66.6 | 74.2 | 176.4 | 54.2 | 0 | 0 | 0 | 0 | 109.2 | A58 S62 | A58-T60 PolarHBondContact O-N 3.07Å; T60-S62 PolarHBondContact O-N 3.43Å |
| 61 | S | 61.7 | Low | 60.4 | Low | 48 Ų | 48 | 123.2 Ų | 123.2 | 34% | 0.336 | 67% | 0.669 | S | S | . | * | | | trans | -52.6 | 112.9 | 160.6 | 169.2 | 0 | 0 | 0 | 0 | 105.1 | A59 R63 Q66 | A59-S61 PolarHBondContact O-N 2.79Å; S61-R63 PolarHBondContact O-N 3.25Å; S61-Q66 WeakPolarHBondContact OG-CG 3.45Å |
| 62 | S | 71.4 | Confident | 61.3 | Low | 59 Ų | 59 | 120.9 Ų | 120.9 | 41% | 0.413 | 67% | 0.673 | S | S | . | * | | | trans | -48.7 | 135 | -179.5 | 171.1 | 0 | 0 | 0 | 0 | 108.8 | T60 M64 Q65 Q66 | T60-S62 PolarHBondContact O-N 3.43Å; S62-M64 PolarHBondContact O-N 3.11Å; S62-Q65 WeakPolarHBondContact O-CA 3.35Å; S62-Q65 WeakPolarHBondContact O-CB 3.4Å; S62-Q65 PolarHBondContact O-N 3.3Å; S62-Q66 PolarHBondContact O-N 2.93Å |
| 63 | R | 65.9 | Low | 61.8 | Low | 206 Ų | 206 | 117.1 Ų | 117.1 | 78% | 0.777 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -48.2 | -33.7 | 179.3 | -177 | 180 | -122.9 | -149.6 | -0.5 | 111.7 | S61 Q66 I67 | S61-R63 PolarHBondContact O-N 3.25Å; R63-Q66 PolarHBondContact O-N 2.75Å; R63-I67 HydrophobicContact CG-CD1 4.03Å; R63-I67 WeakPolarHBondContact O-CD1 3.41Å; R63-I67 VanDerWaalsContact O-CG1 3.25Å; R63-I67 WeakPolarHBondContact O-CG1 3.34Å; R63-I67 PolarHBondContact O-N 2.81Å; R63-I67 VanDerWaalsContact O-N 3.1Å |
| 64 | M | 66.4 | Low | 62.4 | Low | 148 Ų | 148 | 116.2 Ų | 116.2 | 73% | 0.729 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -65.4 | -38.1 | 175.7 | -67.6 | -170.2 | 70 | 0 | 0 | 113.7 | S62 Q66 I67 S68 | S62-M64 PolarHBondContact O-N 3.11Å; M64-Q66 VanDerWaalsContact C-N 3.34Å; M64-I67 PolarHBondContact O-N 3.37Å; M64-S68 PolarHBondContact O-N 3.15Å; M64-S68 PolarHBondContact O-OG 3.47Å |
| 65 | Q | 72.3 | Confident | 62.7 | Low | 112 Ų | 112 | 112.1 Ų | 112.1 | 52% | 0.523 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -68.6 | -34.7 | 176.9 | -67.5 | 175.1 | -8.3 | 0 | 0 | 111.6 | S62 S68 V69 | S62-Q65 WeakPolarHBondContact O-CA 3.35Å; S62-Q65 WeakPolarHBondContact O-CB 3.4Å; S62-Q65 PolarHBondContact O-N 3.3Å; Q65-S68 WeakPolarHBondContact CA-OG 3.38Å; Q65-S68 PolarHBondContact O-N 3.06Å; Q65-S68 PolarHBondContact O-OG 3.42Å; Q65-V69 VanDerWaalsContact O-CG2 3.31Å; Q65-V69 WeakPolarHBondContact O-CG2 3.28Å; Q65-V69 PolarHBondContact O-N 3.03Å; Q65-V69 VanDerWaalsContact O-N 3.12Å |
| 66 | Q | 69.3 | Low | 63.6 | Low | 108 Ų | 108 | 113.2 Ų | 113.2 | 51% | 0.505 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -67.6 | -41.8 | 174.5 | -65 | -178.6 | -29.3 | 0 | 0 | 111 | S61 S62 R63 M64 V69 L70 | S61-Q66 WeakPolarHBondContact OG-CG 3.45Å; S62-Q66 PolarHBondContact O-N 2.93Å; R63-Q66 PolarHBondContact O-N 2.75Å; M64-Q66 VanDerWaalsContact C-N 3.34Å; Q66-V69 PolarHBondContact O-N 3.1Å; Q66-L70 VanDerWaalsContact O-CG 3.24Å; Q66-L70 WeakPolarHBondContact O-CG 3.49Å; Q66-L70 PolarHBondContact O-N 3.02Å; Q66-L70 VanDerWaalsContact O-N 3.12Å |
| 67 | I | 68.8 | Low | 64.2 | Low | 82 Ų | 82 | 110 Ų | 110 | 42% | 0.421 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -64.2 | -41.8 | 176.4 | -65.6 | 163.1 | 0 | 0 | 0 | 110.8 | R63 M64 V69 L70 M71 | R63-I67 HydrophobicContact CG-CD1 4.03Å; R63-I67 WeakPolarHBondContact O-CD1 3.41Å; R63-I67 VanDerWaalsContact O-CG1 3.25Å; R63-I67 WeakPolarHBondContact O-CG1 3.34Å; R63-I67 PolarHBondContact O-N 2.81Å; R63-I67 VanDerWaalsContact O-N 3.1Å; M64-I67 PolarHBondContact O-N 3.37Å; I67-V69 PolarHBondContact O-N 3.37Å; I67-L70 PolarHBondContact O-N 3.41Å; I67-M71 HydrophobicContact CG2-CG 4.31Å; I67-M71 HydrophobicContact CG2-SD 3.64Å; I67-M71 WeakPolarHBondContact O-CB 3.45Å; I67-M71 VanDerWaalsContact O-CG 3.28Å; I67-M71 WeakPolarHBondContact O-CG 3.43Å; I67-M71 PolarHBondContact O-N 2.95Å |
| 68 | S | 66.9 | Low | 64.7 | Low | 66 Ų | 66 | 110.1 Ų | 110.1 | 46% | 0.462 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -64 | -40.2 | 178.5 | 59.4 | 0 | 0 | 0 | 0 | 112.7 | M64 Q65 L70 M71 S72 | M64-S68 PolarHBondContact O-N 3.15Å; M64-S68 PolarHBondContact O-OG 3.47Å; Q65-S68 WeakPolarHBondContact CA-OG 3.38Å; Q65-S68 PolarHBondContact O-N 3.06Å; Q65-S68 PolarHBondContact O-OG 3.42Å; S68-L70 VanDerWaalsContact C-N 3.34Å; S68-L70 PolarHBondContact O-N 3.2Å; S68-M71 PolarHBondContact O-N 2.93Å; S68-S72 WeakPolarHBondContact O-CB 3.31Å; S68-S72 PolarHBondContact O-N 3.31Å |
| 69 | V | 70.7 | Confident | 65.6 | Low | 112 Ų | 112 | 108.9 Ų | 108.9 | 68% | 0.679 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -65.1 | -38.9 | 176.7 | 172.6 | 0 | 0 | 0 | 0 | 111.3 | Q65 Q66 I67 M71 | Q65-V69 VanDerWaalsContact O-CG2 3.31Å; Q65-V69 WeakPolarHBondContact O-CG2 3.28Å; Q65-V69 PolarHBondContact O-N 3.03Å; Q65-V69 VanDerWaalsContact O-N 3.12Å; Q66-V69 PolarHBondContact O-N 3.1Å; I67-V69 PolarHBondContact O-N 3.37Å; V69-M71 VanDerWaalsContact C-N 3.33Å; V69-M71 PolarHBondContact O-N 3.22Å |
| 70 | L | 68.9 | Low | 66.3 | Low | 132 Ų | 132 | 111.2 Ų | 111.2 | 69% | 0.691 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -69.1 | -28.7 | 177.2 | -67.3 | 170.4 | 0 | 0 | 0 | 113.2 | Q66 I67 S68 | Q66-L70 VanDerWaalsContact O-CG 3.24Å; Q66-L70 WeakPolarHBondContact O-CG 3.49Å; Q66-L70 PolarHBondContact O-N 3.02Å; Q66-L70 VanDerWaalsContact O-N 3.12Å; I67-L70 PolarHBondContact O-N 3.41Å; S68-L70 VanDerWaalsContact C-N 3.34Å; S68-L70 PolarHBondContact O-N 3.2Å |
| 71 | M | 64.8 | Low | 67 | Low | 103 Ų | 103 | 112.1 Ų | 112.1 | 51% | 0.507 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -91.2 | -21.1 | -178.1 | -67.4 | -177.4 | 73.7 | 0 | 0 | 113.9 | I67 S68 V69 G73 T74 | I67-M71 HydrophobicContact CG2-CG 4.31Å; I67-M71 HydrophobicContact CG2-SD 3.64Å; I67-M71 WeakPolarHBondContact O-CB 3.45Å; I67-M71 VanDerWaalsContact O-CG 3.28Å; I67-M71 WeakPolarHBondContact O-CG 3.43Å; I67-M71 PolarHBondContact O-N 2.95Å; S68-M71 PolarHBondContact O-N 2.93Å; V69-M71 VanDerWaalsContact C-N 3.33Å; V69-M71 PolarHBondContact O-N 3.22Å; M71-G73 PolarHBondContact O-N 3.38Å; M71-G73 VanDerWaalsContact O-N 3.16Å; M71-T74 PolarHBondContact O-N 3.36Å; M71-T74 PolarHBondContact O-OG1 2.83Å |
| 72 | S | 65.2 | Low | 67.5 | Low | 105 Ų | 105 | 117.5 Ų | 117.5 | 73% | 0.734 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.3 | -18 | -171.6 | -168.4 | 0 | 0 | 0 | 0 | 115.1 | S68 | S68-S72 WeakPolarHBondContact O-CB 3.31Å; S68-S72 PolarHBondContact O-N 3.31Å |
| 73 | G | 62.8 | Low | 67.7 | Low | 56 Ų | 56 | 118.9 Ų | 118.9 | 58% | 0.577 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113 | -11.1 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | M71 | M71-G73 PolarHBondContact O-N 3.38Å; M71-G73 VanDerWaalsContact O-N 3.16Å |
| 74 | T | 60.2 | Low | 68.1 | Low | 96 Ų | 96 | 118.4 Ų | 118.4 | 59% | 0.589 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.5 | -22.7 | -173.7 | 51 | 0 | 0 | 0 | 0 | 112.8 | M71 | M71-T74 PolarHBondContact O-N 3.36Å; M71-T74 PolarHBondContact O-OG1 2.83Å |
| 75 | L | 60.7 | Low | 68.4 | Low | 114 Ų | 114 | 116.5 Ų | 116.5 | 60% | 0.597 | 64% | 0.641 | S | S | * | * | G | 310 helix | trans | -75.7 | -29.6 | -177.1 | -154.1 | 143.7 | 0 | 0 | 0 | 112.7 | K77 L78 | L75-K77 PolarHBondContact O-N 3.3Å; L75-L78 WeakPolarHBondContact O-CB 3.25Å; L75-L78 PolarHBondContact O-N 3.5Å |
| 76 | D | 64.3 | Low | 68.3 | Low | 139 Ų | 139 | 115 Ų | 115 | 74% | 0.743 | 64% | 0.642 | S | S | * | * | G | 310 helix | trans | -63.5 | -24 | 177.5 | -167.2 | 50.4 | 0 | 0 | 0 | 112.8 | | |
| 77 | K | 64.2 | Low | 68 | Low | 174 Ų | 174 | 114.8 Ų | 114.8 | 76% | 0.757 | 65% | 0.647 | S | S | * | * | G | 310 helix | trans | -90.6 | -1.7 | 176.2 | -57 | -135.4 | -170.1 | -60.4 | 0 | 114 | L75 | L75-K77 PolarHBondContact O-N 3.3Š|
| 78 | L | 65.8 | Low | 67.8 | Low | 132 Ų | 132 | 115.1 Ų | 115.1 | 69% | 0.691 | 66% | 0.657 | S | S | * | * | G | 310 helix | trans | -94.3 | -1.8 | 174.6 | -166.6 | 59.3 | 0 | 0 | 0 | 112.1 | L75 H80 | L75-L78 WeakPolarHBondContact O-CB 3.25Å; L75-L78 PolarHBondContact O-N 3.5Å; L78-H80 PolarHBondContact O-N 3.01Å |
| 79 | G | 72.6 | Confident | 67.4 | Low | 60 Ų | 60 | 117.2 Ų | 117.2 | 62% | 0.619 | 67% | 0.666 | S | S | * | * | | | trans | -76.5 | 109.8 | 168.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 80 | H | 70.9 | Confident | 67 | Low | 141 Ų | 141 | 120.5 Ų | 120.5 | 65% | 0.653 | 67% | 0.672 | S | S | * | * | | | trans | -86 | 109.5 | 162.8 | -68.7 | -58.8 | 0 | 0 | 0 | 108.2 | L78 F82 | L78-H80 PolarHBondContact O-N 3.01Å; H80-F82 VanDerWaalsContact C-N 3.34Å; H80-F82 HydrophobicContact CB-CD2 3.82Å; H80-F82 HydrophobicContact CB-CE2 3.34Å; H80-F82 HydrophobicContact CB-CZ 3.88Å; H80-F82 PolarHBondContact O-N 3.16Å; H80-F82 VanDerWaalsContact O-N 3.07Å |
| 81 | D | 74.3 | Confident | 66.9 | Low | 161 Ų | 161 | 121.2 Ų | 121.2 | 86% | 0.861 | 67% | 0.671 | S | S | * | * | | | trans | -80.3 | 86.6 | 172.7 | -158.7 | 7.1 | 0 | 0 | 0 | 108.3 | | |
| 82 | F | 70.7 | Confident | 67.1 | Low | 161 Ų | 161 | 121 Ų | 121 | 71% | 0.706 | 68% | 0.679 | S | S | * | * | | | trans | -77.5 | 124.4 | 171.6 | -68.6 | -77.8 | 0 | 0 | 0 | 107.6 | H80 E84 | H80-F82 VanDerWaalsContact C-N 3.34Å; H80-F82 HydrophobicContact CB-CD2 3.82Å; H80-F82 HydrophobicContact CB-CE2 3.34Å; H80-F82 HydrophobicContact CB-CZ 3.88Å; H80-F82 PolarHBondContact O-N 3.16Å; H80-F82 VanDerWaalsContact O-N 3.07Å; F82-E84 PolarHBondContact O-N 3.45Å; F82-E84 VanDerWaalsContact O-N 3.15Å |
| 83 | P | 76.9 | Confident | 67.3 | Low | 88 Ų | 88 | 127 Ų | 127 | 57% | 0.571 | 69% | 0.686 | S | S | * | * | | | trans | -56.6 | 126.4 | 176.4 | 23.2 | -32.3 | 0 | 0 | 0 | 109.3 | T85 | P83-T85 PolarHBondContact O-N 3.47Å; P83-T85 VanDerWaalsContact O-N 3.14Å |
| 84 | E | 73.8 | Confident | 67.7 | Low | 196 Ų | 196 | 131.9 Ų | 131.9 | 92% | 0.916 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -54.7 | -34.6 | -177.5 | -173.5 | 177.6 | 175.5 | 0 | 0 | 111.8 | F82 | F82-E84 PolarHBondContact O-N 3.45Å; F82-E84 VanDerWaalsContact O-N 3.15Å |
| 85 | T | 72.2 | Confident | 68.3 | Low | 108 Ų | 108 | 137.8 Ų | 137.8 | 66% | 0.663 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -93.8 | 119.5 | 172.5 | 30.9 | 0 | 0 | 0 | 0 | 112 | P83 V87 | P83-T85 PolarHBondContact O-N 3.47Å; P83-T85 VanDerWaalsContact O-N 3.14Å; T85-V87 PolarHBondContact O-N 3.04Å |
| 86 | P | 70.7 | Confident | 69 | Low | 82 Ų | 82 | 137.4 Ų | 137.4 | 53% | 0.532 | 71% | 0.714 | S | S | . | * | | | trans | -61.3 | 136.7 | 174.6 | 25 | -32.8 | 0 | 0 | 0 | 111 | S88 V89 | P86-S88 PolarHBondContact O-N 3.47Å; P86-V89 PolarHBondContact O-N 3.36Å |
| 87 | V | 63.4 | Low | 69.5 | Low | 103 Ų | 103 | 135.2 Ų | 135.2 | 62% | 0.624 | 72% | 0.715 | S | S | * | * | G | 310 helix | trans | -65.3 | 3.7 | 178.3 | -171.8 | 0 | 0 | 0 | 0 | 112.6 | T85 V89 | T85-V87 PolarHBondContact O-N 3.04Å; V87-V89 PolarHBondContact O-N 3.31Å |
| 88 | S | 63.5 | Low | 69.8 | Low | 89 Ų | 89 | 134.6 Ų | 134.6 | 62% | 0.622 | 72% | 0.717 | S | S | * | * | G | 310 helix | trans | -71.2 | -13.7 | 174.3 | 56.4 | 0 | 0 | 0 | 0 | 113.7 | P86 | P86-S88 PolarHBondContact O-N 3.47Š|
| 89 | V | 59.1 | Low | 70.2 | Confident | 109 Ų | 109 | 136.6 Ų | 136.6 | 66% | 0.661 | 72% | 0.723 | S | S | * | * | G | 310 helix | trans | -83.2 | -17.2 | -174.2 | -173.7 | 0 | 0 | 0 | 0 | 113.2 | P86 V87 H91 | P86-V89 PolarHBondContact O-N 3.36Å; V87-V89 PolarHBondContact O-N 3.31Å; V89-H91 PolarHBondContact O-N 3.48Å |
| 90 | K | 61.5 | Low | 70.3 | Confident | 181 Ų | 181 | 142 Ų | 142 | 79% | 0.787 | 73% | 0.73 | S | S | * | * | G | 310 helix | trans | -83.7 | -5.7 | -175.1 | -63.4 | -164.8 | 178.6 | -175.9 | 0 | 115.1 | | |
| 91 | H | 67.3 | Low | 70.4 | Confident | 147 Ų | 147 | 139.7 Ų | 139.7 | 68% | 0.681 | 73% | 0.734 | S | S | * | * | | | trans | -118.9 | 79.5 | 175.4 | -47 | 126.5 | 0 | 0 | 0 | 109 | V89 R93 | V89-H91 PolarHBondContact O-N 3.48Å; H91-R93 PolarHBondContact O-N 3.46Å |
| 92 | S | 68.8 | Low | 70.1 | Confident | 98 Ų | 98 | 138.1 Ų | 138.1 | 69% | 0.685 | 72% | 0.722 | S | S | * | * | | | trans | -53.6 | 114.2 | 162.2 | 58.3 | 0 | 0 | 0 | 0 | 106.7 | L94 | S92-L94 PolarHBondContact O-N 3.12Š|
| 93 | R | 68.9 | Low | 69.9 | Low | 233 Ų | 233 | 132.8 Ų | 132.8 | 88% | 0.879 | 70% | 0.704 | S | S | * | * | | | trans | -55.4 | 108.3 | 177.3 | -65.8 | 178.6 | -176.6 | 178.8 | 0.6 | 106.5 | H91 R95 | H91-R93 PolarHBondContact O-N 3.46Å; R93-R95 PolarHBondContact O-N 3.43Å |
| 94 | L | 72.8 | Confident | 69.4 | Low | 158 Ų | 158 | 133.4 Ų | 133.4 | 83% | 0.827 | 71% | 0.708 | S | S | * | * | | | trans | -54.5 | 110.9 | 172.9 | -65.5 | 175.6 | 0 | 0 | 0 | 105.2 | S92 | S92-L94 PolarHBondContact O-N 3.12Š|
| 95 | R | 72.3 | Confident | 68.9 | Low | 219 Ų | 219 | 126.8 Ų | 126.8 | 83% | 0.826 | 69% | 0.687 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 128.4 | 176.6 | -67.5 | -74.4 | -85.7 | 133.9 | -3.9 | 105.1 | R93 A97 | R93-R95 PolarHBondContact O-N 3.43Å; R95-A97 PolarHBondContact O-N 3.12Å |
| 96 | P | 75.6 | Confident | 68.3 | Low | 107 Ų | 107 | 128.5 Ų | 128.5 | 70% | 0.695 | 69% | 0.686 | S | S | * | * | P | Polyproline II helix | trans | -48.6 | 133.7 | 173.7 | -25.3 | 33 | 0 | 0 | 0 | 108.4 | M98 | P96-M98 PolarHBondContact O-N 3.29Å; P96-M98 VanDerWaalsContact O-N 3.12Å |
| 97 | A | 73.6 | Confident | 67.9 | Low | 93 Ų | 93 | 131.7 Ų | 131.7 | 77% | 0.769 | 69% | 0.691 | S | S | * | * | P | Polyproline II helix | trans | -51.7 | 125.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 107.8 | R95 E99 | R95-A97 PolarHBondContact O-N 3.12Å; A97-E99 PolarHBondContact O-N 3.47Å |
| 98 | M | 72.1 | Confident | 67.9 | Low | 160 Ų | 160 | 131.1 Ų | 131.1 | 79% | 0.788 | 69% | 0.692 | S | S | * | * | | | trans | -45 | 134 | -179.8 | -179.4 | 173.8 | 63.8 | 0 | 0 | 109.8 | P96 K100 | P96-M98 PolarHBondContact O-N 3.29Å; P96-M98 VanDerWaalsContact O-N 3.12Å; M98-K100 PolarHBondContact O-N 3.4Å |
| 99 | E | 74.4 | Confident | 68 | Low | 174 Ų | 174 | 131.1 Ų | 131.1 | 81% | 0.813 | 69% | 0.692 | S | S | * | * | P | Polyproline II helix | trans | -49.6 | 116.2 | 176.9 | -172.9 | -177.9 | 164.2 | 0 | 0 | 108.3 | A97 A101 | A97-E99 PolarHBondContact O-N 3.47Å; E99-A101 PolarHBondContact O-N 2.78Å |
| 100 | K | 74.2 | Confident | 68.3 | Low | 175 Ų | 175 | 132.8 Ų | 132.8 | 76% | 0.761 | 69% | 0.69 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 122 | 176.4 | -65.7 | -64.2 | -176.6 | 178.8 | 0 | 106.3 | M98 H102 | M98-K100 PolarHBondContact O-N 3.4Å; K100-H102 PolarHBondContact O-N 3.26Å; K100-H102 VanDerWaalsContact O-N 3.07Å |
| 101 | A | 73.1 | Confident | 68.8 | Low | 91 Ų | 91 | 130.2 Ų | 130.2 | 75% | 0.752 | 69% | 0.694 | S | S | * | * | P | Polyproline II helix | trans | -47.5 | 122.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 108.4 | E99 S103 | E99-A101 PolarHBondContact O-N 2.78Å; A101-S103 PolarHBondContact O-N 2.95Å |
| 102 | H | 67.8 | Low | 69.4 | Low | 129 Ų | 129 | 129.4 Ų | 129.4 | 60% | 0.597 | 69% | 0.693 | S | S | * | * | | | trans | -66.2 | 87.5 | -177.1 | -163.3 | 108 | 0 | 0 | 0 | 108.5 | K100 K107 | K100-H102 PolarHBondContact O-N 3.26Å; K100-H102 VanDerWaalsContact O-N 3.07Å; H102-K107 WeakPolarHBondContact CD2-CE 3.24Å; H102-K107 WeakPolarHBondContact NE2-CE 3.47Å; H102-K107 VanDerWaalsContact NE2-CG 3.34Å; H102-K107 WeakPolarHBondContact NE2-CG 3.49Å |
| 103 | S | 65.6 | Low | 70.2 | Confident | 48 Ų | 48 | 134 Ų | 134 | 34% | 0.336 | 70% | 0.704 | S | S | . | * | | | trans | -66.6 | 130.5 | -176.4 | 68.4 | 0 | 0 | 0 | 0 | 109 | A101 A105 F106 | A101-S103 PolarHBondContact O-N 2.95Å; S103-A105 PolarHBondContact O-N 3.38Å; S103-A105 VanDerWaalsContact O-N 3.13Å; S103-F106 PolarHBondContact O-N 3.01Å; S103-F106 VanDerWaalsContact O-N 3.08Å |
| 104 | P | 66.5 | Low | 71.1 | Confident | 102 Ų | 102 | 129.5 Ų | 129.5 | 66% | 0.662 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -61.7 | -21.1 | 178.2 | 22.6 | -30.8 | 0 | 0 | 0 | 112.3 | F106 K107 S108 | P104-F106 VanDerWaalsContact C-N 3.27Å; P104-F106 PolarHBondContact O-N 3.31Å; P104-K107 WeakPolarHBondContact O-CB 3.41Å; P104-K107 PolarHBondContact O-N 3.36Å; P104-S108 PolarHBondContact O-N 2.96Å; P104-S108 VanDerWaalsContact O-N 3.12Å; P104-S108 PolarHBondContact O-OG 3.1Å |
| 105 | A | 63.7 | Low | 71.8 | Confident | 57 Ų | 57 | 127.5 Ų | 127.5 | 47% | 0.471 | 69% | 0.689 | S | S | . | * | H | α-helix | trans | -58.4 | -35.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | S103 S108 S109 | S103-A105 PolarHBondContact O-N 3.38Å; S103-A105 VanDerWaalsContact O-N 3.13Å; A105-S108 PolarHBondContact O-OG 3.41Å; A105-S109 PolarHBondContact O-N 2.67Å; A105-S109 PolarHBondContact O-OG 3.36Å |
| 106 | F | 60.5 | Low | 72.4 | Confident | 143 Ų | 143 | 125.1 Ų | 125.1 | 63% | 0.627 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -72.2 | -30.6 | 174.2 | -100.9 | -86.4 | 0 | 0 | 0 | 112.1 | S103 P104 F110 | S103-F106 PolarHBondContact O-N 3.01Å; S103-F106 VanDerWaalsContact O-N 3.08Å; P104-F106 VanDerWaalsContact C-N 3.27Å; P104-F106 PolarHBondContact O-N 3.31Å; F106-F110 HydrophobicContact CD1-CE2 4.1Å; F106-F110 HydrophobicContact CD1-CZ 4.09Å; F106-F110 WeakPolarHBondContact O-CD2 3.3Å; F106-F110 WeakPolarHBondContact O-CE2 3.49Å |
| 107 | K | 61.5 | Low | 72.7 | Confident | 149 Ų | 149 | 130 Ų | 130 | 65% | 0.648 | 70% | 0.695 | S | S | * | * | H | α-helix | trans | -72.4 | -33.6 | 177.4 | -64.6 | -170.4 | -178.2 | -175.6 | 0 | 112.7 | H102 P104 | H102-K107 WeakPolarHBondContact CD2-CE 3.24Å; H102-K107 WeakPolarHBondContact NE2-CE 3.47Å; H102-K107 VanDerWaalsContact NE2-CG 3.34Å; H102-K107 WeakPolarHBondContact NE2-CG 3.49Å; P104-K107 WeakPolarHBondContact O-CB 3.41Å; P104-K107 PolarHBondContact O-N 3.36Å |
| 108 | S | 63.5 | Low | 72.3 | Confident | 91 Ų | 91 | 138 Ų | 138 | 64% | 0.636 | 71% | 0.713 | S | S | * | * | H | α-helix | trans | -85.1 | -11.8 | -175.4 | 59.2 | 0 | 0 | 0 | 0 | 114.6 | P104 A105 | P104-S108 PolarHBondContact O-N 2.96Å; P104-S108 VanDerWaalsContact O-N 3.12Å; P104-S108 PolarHBondContact O-OG 3.1Å; A105-S108 PolarHBondContact O-OG 3.41Å |
| 109 | S | 64.9 | Low | 72.3 | Confident | 89 Ų | 89 | 136.9 Ų | 136.9 | 62% | 0.622 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -94.1 | -7.1 | -171.7 | -56 | 0 | 0 | 0 | 0 | 114.2 | A105 C111 | A105-S109 PolarHBondContact O-N 2.67Å; A105-S109 PolarHBondContact O-OG 3.36Å; S109-C111 PolarHBondContact O-N 3.32Å |
| 110 | F | 66.3 | Low | 72.2 | Confident | 144 Ų | 144 | 134.9 Ų | 134.9 | 63% | 0.632 | 70% | 0.704 | S | S | * | * | | | trans | -92.3 | 75.4 | 177.7 | -62.1 | -71 | 0 | 0 | 0 | 110.8 | F106 I112 | F106-F110 HydrophobicContact CD1-CE2 4.1Å; F106-F110 HydrophobicContact CD1-CZ 4.09Å; F106-F110 WeakPolarHBondContact O-CD2 3.3Å; F106-F110 WeakPolarHBondContact O-CE2 3.49Å; F110-I112 PolarHBondContact O-N 3.2Å; F110-I112 VanDerWaalsContact O-N 3.07Å |
| 111 | C | 72.1 | Confident | 72.1 | Confident | 127 Ų | 127 | 132.7 Ų | 132.7 | 86% | 0.858 | 70% | 0.701 | S | S | * | * | | | trans | -74.2 | 93.8 | 163.8 | -102.6 | 0 | 0 | 0 | 0 | 108.7 | S109 Q113 | S109-C111 PolarHBondContact O-N 3.32Å; C111-Q113 PolarHBondContact O-N 2.85Å; C111-Q113 VanDerWaalsContact O-N 3.16Å |
| 112 | I | 79.8 | Confident | 72 | Confident | 131 Ų | 131 | 135.2 Ų | 135.2 | 67% | 0.672 | 70% | 0.698 | S | S | * | * | | | trans | -66.4 | 114 | 172.9 | -54.1 | 176 | 0 | 0 | 0 | 107.8 | F110 Q114 | F110-I112 PolarHBondContact O-N 3.2Å; F110-I112 VanDerWaalsContact O-N 3.07Å; I112-Q114 HydrophobicContact CG2-CG 4.37Å; I112-Q114 PolarHBondContact O-N 3.46Å |
| 113 | Q | 85.1 | Confident | 72.3 | Confident | 193 Ų | 193 | 135.6 Ų | 135.6 | 90% | 0.902 | 70% | 0.704 | S | S | * | * | | | trans | -73.1 | 100 | 178.7 | -159.8 | 171.5 | 22.9 | 0 | 0 | 109.1 | C111 | C111-Q113 PolarHBondContact O-N 2.85Å; C111-Q113 VanDerWaalsContact O-N 3.16Å |
| 114 | Q | 87.1 | Confident | 72.8 | Confident | 140 Ų | 140 | 141.4 Ų | 141.4 | 65% | 0.654 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -92.2 | 138 | 175.9 | -68.4 | -67.2 | -43.3 | 0 | 0 | 110.2 | I112 K116 | I112-Q114 HydrophobicContact CG2-CG 4.37Å; I112-Q114 PolarHBondContact O-N 3.46Å; Q114-K116 PolarHBondContact O-N 3.19Å |
| 115 | P | 88.5 | Confident | 73.2 | Confident | 116 Ų | 116 | 144.2 Ų | 144.2 | 75% | 0.753 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 129.2 | 174.2 | 25.6 | -31.2 | 0 | 0 | 0 | 109.7 | | |
| 116 | K | 83.9 | Confident | 73.9 | Confident | 169 Ų | 169 | 150.9 Ų | 150.9 | 74% | 0.735 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -78.4 | 131.6 | 173.1 | -65.9 | -178.8 | -179.5 | 177.6 | 0 | 108.3 | Q114 F118 | Q114-K116 PolarHBondContact O-N 3.19Å; K116-F118 HydrophobicContact CB-CE2 4.12Å; K116-F118 PolarHBondContact O-N 2.65Å |
| 117 | K | 81.7 | Confident | 75.1 | Confident | 208 Ų | 208 | 151.6 Ų | 151.6 | 90% | 0.904 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 117.1 | 168.8 | -63.3 | -173.7 | -179.7 | -175.3 | 0 | 107.2 | | |
| 118 | F | 66.4 | Low | 76.3 | Confident | 262 Ų | 262 | 151.8 Ų | 151.8 | 100% | 1.149 | 77% | 0.774 | S | S | * | * | | | trans | -101.5 | 0 | 163.2 | -69.4 | -79.2 | 0 | 0 | 0 | 107.8 | K116 | K116-F118 HydrophobicContact CB-CE2 4.12Å; K116-F118 PolarHBondContact O-N 2.65Å |