| 1 | M | 45.9 | Very low | 72.4 | Confident | 237 Ų | 237 | 124.6 Ų | 124.6 | 100% | 1.167 | 68% | 0.684 | S | S | * | * | | | | 0 | 118 | 0 | -60.9 | 166.7 | 85.4 | 0 | 0 | 106.3 | T3 | M1-T3 PolarHBondContact O-N 3.34Š|
| 2 | K | 55.4 | Low | 73.2 | Confident | 195 Ų | 195 | 125.3 Ų | 125.3 | 85% | 0.848 | 68% | 0.675 | S | S | * | * | | | trans | -84.3 | 114.3 | -175.9 | -80.1 | 161.2 | 176.6 | 165.7 | 0 | 108.5 | F4 | K2-F4 PolarHBondContact O-N 3.41Š|
| 3 | T | 67.1 | Low | 73.8 | Confident | 127 Ų | 127 | 121.2 Ų | 121.2 | 78% | 0.779 | 66% | 0.661 | S | S | * | * | | | trans | -77.9 | 113 | 173.6 | 48.5 | 0 | 0 | 0 | 0 | 108.2 | M1 T5 | M1-T3 PolarHBondContact O-N 3.34Å; T3-T5 PolarHBondContact O-N 3.38Å |
| 4 | F | 66.1 | Low | 74.5 | Confident | 193 Ų | 193 | 121.6 Ų | 121.6 | 85% | 0.846 | 65% | 0.654 | S | S | * | * | | | trans | -78.3 | 97.8 | 171.1 | -76.8 | -85.3 | 0 | 0 | 0 | 108.3 | K2 L6 | K2-F4 PolarHBondContact O-N 3.41Å; F4-L6 PolarHBondContact O-N 3.36Å |
| 5 | T | 73.8 | Confident | 75 | Confident | 128 Ų | 128 | 120.5 Ų | 120.5 | 79% | 0.785 | 65% | 0.646 | S | S | * | * | | | trans | -78.6 | 100.1 | 169.8 | -52 | 0 | 0 | 0 | 0 | 107.5 | T3 | T3-T5 PolarHBondContact O-N 3.38Š|
| 6 | L | 76.6 | Confident | 75.5 | Confident | 101 Ų | 101 | 118.6 Ų | 118.6 | 53% | 0.529 | 64% | 0.636 | S | S | . | * | | | trans | -69.1 | 138.7 | 173.5 | -73.4 | 164.7 | 0 | 0 | 0 | 109.3 | F4 V10 | F4-L6 PolarHBondContact O-N 3.36Å; L6-V10 HydrophobicContact CD2-CG1 4.48Å |
| 7 | P | 80.8 | Confident | 75.9 | Confident | 72 Ų | 72 | 117.8 Ų | 117.8 | 47% | 0.468 | 63% | 0.631 | S | S | . | * | | | trans | -57.6 | 140.6 | 173.4 | -17.8 | 27.8 | 0 | 0 | 0 | 110.5 | S9 V10 L11 | P7-S9 PolarHBondContact O-N 3.1Å; P7-S9 VanDerWaalsContact O-N 3.09Å; P7-V10 HydrophobicContact CB-CG2 4.14Å; P7-V10 HydrophobicContact CG-CG2 3.95Å; P7-V10 WeakPolarHBondContact O-CB 3.5Å; P7-V10 PolarHBondContact O-N 3.39Å; P7-L11 PolarHBondContact O-N 3.43Å |
| 8 | A | 81 | Confident | 76 | Confident | 80 Ų | 80 | 117.4 Ų | 117.4 | 66% | 0.661 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -56 | -28.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | L11 F12 | A8-L11 PolarHBondContact O-N 3.3Å; A8-F12 WeakPolarHBondContact O-CB 3.23Å; A8-F12 PolarHBondContact O-N 3.13Å |
| 9 | S | 78.6 | Confident | 75.7 | Confident | 77 Ų | 77 | 119.8 Ų | 119.8 | 54% | 0.538 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -64.2 | -37.3 | 174.4 | 56.4 | 0 | 0 | 0 | 0 | 113.3 | P7 F12 C13 | P7-S9 PolarHBondContact O-N 3.1Å; P7-S9 VanDerWaalsContact O-N 3.09Å; S9-F12 PolarHBondContact O-N 3.48Å; S9-C13 WeakPolarHBondContact O-CB 3.42Å; S9-C13 PolarHBondContact O-N 3.38Å; S9-C13 PolarHBondContact O-SG 3.42Å |
| 10 | V | 85.4 | Confident | 75.1 | Confident | 71 Ų | 71 | 116.4 Ų | 116.4 | 43% | 0.43 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -69.3 | -41.8 | 177.6 | 178.1 | 0 | 0 | 0 | 0 | 110.1 | L6 P7 F14 | L6-V10 HydrophobicContact CD2-CG1 4.48Å; P7-V10 HydrophobicContact CB-CG2 4.14Å; P7-V10 HydrophobicContact CG-CG2 3.95Å; P7-V10 WeakPolarHBondContact O-CB 3.5Å; P7-V10 PolarHBondContact O-N 3.39Å; V10-F14 WeakPolarHBondContact O-CB 3.32Å; V10-F14 PolarHBondContact O-N 3.38Å |
| 11 | L | 85.3 | Confident | 74.2 | Confident | 90 Ų | 90 | 118 Ų | 118 | 47% | 0.471 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -62.5 | -45.5 | 174.5 | -67.4 | 172.8 | 0 | 0 | 0 | 111.1 | P7 A8 F14 L15 | P7-L11 PolarHBondContact O-N 3.43Å; A8-L11 PolarHBondContact O-N 3.3Å; L11-F14 PolarHBondContact O-N 2.85Å; L11-L15 WeakPolarHBondContact O-CD1 3.37Å; L11-L15 PolarHBondContact O-N 2.88Å |
| 12 | F | 82.9 | Confident | 74.7 | Confident | 132 Ų | 132 | 110 Ų | 110 | 58% | 0.579 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -63 | -46.8 | 178.5 | -176.7 | -105.7 | 0 | 0 | 0 | 112.5 | A8 S9 F14 L15 L16 | A8-F12 WeakPolarHBondContact O-CB 3.23Å; A8-F12 PolarHBondContact O-N 3.13Å; S9-F12 PolarHBondContact O-N 3.48Å; F12-F14 VanDerWaalsContact C-N 3.28Å; F12-F14 PolarHBondContact O-N 3.47Å; F12-L15 PolarHBondContact O-N 3.3Å; F12-L16 HydrophobicContact CD1-CD1 3.9Å; F12-L16 HydrophobicContact CD1-CG 4.42Å; F12-L16 HydrophobicContact CE1-CD1 3.38Å; F12-L16 HydrophobicContact CE1-CG 4.11Å; F12-L16 HydrophobicContact CZ-CD1 3.77Å; F12-L16 HydrophobicContact CZ-CD2 4.29Å; F12-L16 HydrophobicContact CZ-CG 4.15Å; F12-L16 WeakPolarHBondContact O-CG 3.36Å; F12-L16 PolarHBondContact O-N 2.77Å |
| 13 | C | 80.6 | Confident | 74.7 | Confident | 73 Ų | 73 | 104.6 Ų | 104.6 | 49% | 0.493 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -58.7 | -40.6 | 173.9 | -80.5 | 0 | 0 | 0 | 0 | 112.1 | S9 L16 L17 | S9-C13 WeakPolarHBondContact O-CB 3.42Å; S9-C13 PolarHBondContact O-N 3.38Å; S9-C13 PolarHBondContact O-SG 3.42Å; C13-L16 PolarHBondContact O-N 2.97Å; C13-L17 VanDerWaalsContact O-CG 3.32Å; C13-L17 WeakPolarHBondContact O-CG 3.44Å; C13-L17 PolarHBondContact O-N 3.15Å |
| 14 | F | 83.3 | Confident | 74.2 | Confident | 127 Ų | 127 | 102.4 Ų | 102.4 | 56% | 0.557 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -65.5 | -42.1 | 178.2 | -169.2 | -104.7 | 0 | 0 | 0 | 112.2 | V10 L11 F12 L16 L17 I18 | V10-F14 WeakPolarHBondContact O-CB 3.32Å; V10-F14 PolarHBondContact O-N 3.38Å; L11-F14 PolarHBondContact O-N 2.85Å; F12-F14 VanDerWaalsContact C-N 3.28Å; F12-F14 PolarHBondContact O-N 3.47Å; F14-L16 VanDerWaalsContact C-N 3.34Å; F14-L16 PolarHBondContact O-N 2.92Å; F14-L17 PolarHBondContact O-N 3.41Å; F14-I18 HydrophobicContact CD1-CD1 3.61Å; F14-I18 HydrophobicContact CE1-CD1 3.38Å; F14-I18 HydrophobicContact CE1-CG1 4.35Å; F14-I18 HydrophobicContact CG-CD1 4.46Å; F14-I18 HydrophobicContact CZ-CD1 4.04Å; F14-I18 WeakPolarHBondContact O-CG1 3.37Å; F14-I18 PolarHBondContact O-N 3.45Å; F14-I18 VanDerWaalsContact O-N 3.11Å |
| 15 | L | 82.9 | Confident | 73.9 | Confident | 104 Ų | 104 | 98.6 Ų | 98.6 | 55% | 0.545 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -61.9 | -41.9 | 174.2 | -93.8 | 79.9 | 0 | 0 | 0 | 111.9 | L11 F12 L17 I18 Q19 | L11-L15 WeakPolarHBondContact O-CD1 3.37Å; L11-L15 PolarHBondContact O-N 2.88Å; F12-L15 PolarHBondContact O-N 3.3Å; L15-L17 VanDerWaalsContact C-N 3.34Å; L15-L17 PolarHBondContact O-N 3.18Å; L15-I18 PolarHBondContact O-N 3.23Å; L15-Q19 WeakPolarHBondContact O-CG 3.33Å; L15-Q19 PolarHBondContact O-N 3.06Å |
| 16 | L | 82 | Confident | 73.1 | Confident | 91 Ų | 91 | 98.7 Ų | 98.7 | 48% | 0.476 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -65.5 | -35.5 | 176.7 | -70.8 | -177.8 | 0 | 0 | 0 | 112.6 | F12 C13 F14 Q19 G20 | F12-L16 HydrophobicContact CD1-CD1 3.9Å; F12-L16 HydrophobicContact CD1-CG 4.42Å; F12-L16 HydrophobicContact CE1-CD1 3.38Å; F12-L16 HydrophobicContact CE1-CG 4.11Å; F12-L16 HydrophobicContact CZ-CD1 3.77Å; F12-L16 HydrophobicContact CZ-CD2 4.29Å; F12-L16 HydrophobicContact CZ-CG 4.15Å; F12-L16 WeakPolarHBondContact O-CG 3.36Å; F12-L16 PolarHBondContact O-N 2.77Å; C13-L16 PolarHBondContact O-N 2.97Å; F14-L16 VanDerWaalsContact C-N 3.34Å; F14-L16 PolarHBondContact O-N 2.92Å; L16-Q19 PolarHBondContact O-N 3.4Å; L16-G20 WeakPolarHBondContact O-CA 3.47Å; L16-G20 PolarHBondContact O-N 2.6Å |
| 17 | L | 82.6 | Confident | 71.8 | Confident | 105 Ų | 105 | 97 Ų | 97 | 55% | 0.55 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -66.2 | -39.2 | 175 | -73.6 | 166.7 | 0 | 0 | 0 | 111.9 | C13 F14 L15 L21 | C13-L17 VanDerWaalsContact O-CG 3.32Å; C13-L17 WeakPolarHBondContact O-CG 3.44Å; C13-L17 PolarHBondContact O-N 3.15Å; F14-L17 PolarHBondContact O-N 3.41Å; L15-L17 VanDerWaalsContact C-N 3.34Å; L15-L17 PolarHBondContact O-N 3.18Å; L17-L21 WeakPolarHBondContact O-CD1 3.28Å; L17-L21 PolarHBondContact O-N 2.96Å |
| 18 | I | 77.6 | Confident | 70.5 | Confident | 110 Ų | 110 | 104 Ų | 104 | 56% | 0.564 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -67.3 | -41.4 | 177.1 | -65.2 | 164.5 | 0 | 0 | 0 | 111 | F14 L15 | F14-I18 HydrophobicContact CD1-CD1 3.61Å; F14-I18 HydrophobicContact CE1-CD1 3.38Å; F14-I18 HydrophobicContact CE1-CG1 4.35Å; F14-I18 HydrophobicContact CG-CD1 4.46Å; F14-I18 HydrophobicContact CZ-CD1 4.04Å; F14-I18 WeakPolarHBondContact O-CG1 3.37Å; F14-I18 PolarHBondContact O-N 3.45Å; F14-I18 VanDerWaalsContact O-N 3.11Å; L15-I18 PolarHBondContact O-N 3.23Å |
| 19 | Q | 70.3 | Confident | 69.2 | Low | 163 Ų | 163 | 105.5 Ų | 105.5 | 76% | 0.762 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -78.6 | -31.8 | 179.3 | -67.5 | -134.8 | 85.8 | 0 | 0 | 113.1 | L15 L16 | L15-Q19 WeakPolarHBondContact O-CG 3.33Å; L15-Q19 PolarHBondContact O-N 3.06Å; L16-Q19 PolarHBondContact O-N 3.4Å |
| 20 | G | 63.5 | Low | 67.9 | Low | 52 Ų | 52 | 109.4 Ų | 109.4 | 54% | 0.536 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -82.8 | -20.1 | -174 | 0 | 0 | 0 | 0 | 0 | 115.2 | L16 G22 | L16-G20 WeakPolarHBondContact O-CA 3.47Å; L16-G20 PolarHBondContact O-N 2.6Å; G20-G22 PolarHBondContact O-N 3.15Å |
| 21 | L | 57.4 | Low | 66.2 | Low | 149 Ų | 149 | 111.8 Ų | 111.8 | 78% | 0.78 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.8 | -9.5 | 174.1 | -103.1 | 76.9 | 0 | 0 | 0 | 113.7 | L17 | L17-L21 WeakPolarHBondContact O-CD1 3.28Å; L17-L21 PolarHBondContact O-N 2.96Å |
| 22 | G | 56.3 | Low | 64.8 | Low | 69 Ų | 69 | 116.2 Ų | 116.2 | 71% | 0.711 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.7 | -8.3 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | G20 A24 | G20-G22 PolarHBondContact O-N 3.15Å; G22-A24 PolarHBondContact O-N 3.16Å |
| 23 | A | 55.4 | Low | 63.9 | Low | 83 Ų | 83 | 115.1 Ų | 115.1 | 69% | 0.686 | 68% | 0.677 | S | S | * | * | | | trans | -99.6 | 56.9 | -178.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 24 | A | 55.9 | Low | 63 | Low | 81 Ų | 81 | 116.7 Ų | 116.7 | 67% | 0.669 | 69% | 0.687 | S | S | * | * | | | trans | -60 | 131 | 155.7 | 0 | 0 | 0 | 0 | 0 | 107.2 | G22 | G22-A24 PolarHBondContact O-N 3.16Š|
| 25 | P | 60 | Low | 61.7 | Low | 112 Ų | 112 | 116.3 Ų | 116.3 | 73% | 0.727 | 70% | 0.697 | S | S | * | * | | | trans | -52.8 | 137.2 | 169.6 | -18.4 | 28.9 | 0 | 0 | 0 | 107.5 | G27 | P25-G27 VanDerWaalsContact C-N 3.27Å; P25-G27 PolarHBondContact O-N 3.16Å |
| 26 | P | 55.9 | Low | 60.4 | Low | 130 Ų | 130 | 120.1 Ų | 120.1 | 84% | 0.844 | 72% | 0.717 | S | S | * | * | | | trans | -59.2 | 100.3 | 170.7 | 23.6 | -30.3 | 0 | 0 | 0 | 107.2 | R28 | P26-R28 PolarHBondContact O-N 3.37Å; P26-R28 VanDerWaalsContact O-N 3.14Å |
| 27 | G | 49.7 | Very low | 58.7 | Low | 67 Ų | 67 | 120.9 Ų | 120.9 | 69% | 0.691 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -57 | 119.1 | 169.6 | 0 | 0 | 0 | 0 | 0 | 106.4 | P25 P29 | P25-G27 VanDerWaalsContact C-N 3.27Å; P25-G27 PolarHBondContact O-N 3.16Å; G27-P29 WeakPolarHBondContact O-CD 3.41Å |
| 28 | R | 53.3 | Low | 57.3 | Low | 219 Ų | 219 | 121.1 Ų | 121.1 | 83% | 0.826 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -51.5 | 126.7 | 166.6 | -92.5 | -167.7 | 171 | -171.3 | -1.4 | 107.2 | P26 D30 | P26-R28 PolarHBondContact O-N 3.37Å; P26-R28 VanDerWaalsContact O-N 3.14Å; R28-D30 PolarHBondContact O-N 3.06Å |
| 29 | P | 53.3 | Low | 55.8 | Low | 110 Ų | 110 | 123.6 Ų | 123.6 | 71% | 0.714 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -60 | 132.4 | 158.5 | 26.4 | -29.8 | 0 | 0 | 0 | 106.7 | G27 V31 | G27-P29 WeakPolarHBondContact O-CD 3.41Å; P29-V31 PolarHBondContact O-N 3.25Å |
| 30 | D | 53.2 | Low | 54.5 | Low | 159 Ų | 159 | 124.7 Ų | 124.7 | 85% | 0.85 | 75% | 0.754 | S | S | * | * | | | trans | -41.7 | 101 | 171.7 | -77.4 | -70.3 | 0 | 0 | 0 | 110.2 | R28 F32 | R28-D30 PolarHBondContact O-N 3.06Å; D30-F32 VanDerWaalsContact C-N 3.28Å; D30-F32 PolarHBondContact O-N 3.12Å |
| 31 | V | 49.7 | Very low | 53.3 | Low | 122 Ų | 122 | 129.4 Ų | 129.4 | 74% | 0.739 | 77% | 0.767 | S | S | * | * | | | trans | -72.1 | 98.8 | 163.4 | 176.7 | 0 | 0 | 0 | 0 | 104.1 | P29 | P29-V31 PolarHBondContact O-N 3.25Š|
| 32 | F | 55.8 | Low | 52.5 | Low | 183 Ų | 183 | 124.5 Ų | 124.5 | 80% | 0.803 | 75% | 0.753 | S | S | * | * | | | trans | -30.6 | 129.5 | 160.7 | -102.8 | -101.9 | 0 | 0 | 0 | 109.8 | D30 | D30-F32 VanDerWaalsContact C-N 3.28Å; D30-F32 PolarHBondContact O-N 3.12Å |
| 33 | P | 63.8 | Low | 51.8 | Low | 108 Ų | 108 | 131 Ų | 131 | 70% | 0.701 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 132.9 | 166.8 | 25.9 | -31 | 0 | 0 | 0 | 107.6 | | |
| 34 | P | 60.2 | Low | 51.2 | Low | 107 Ų | 107 | 134.1 Ų | 134.1 | 70% | 0.695 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 138.5 | 172.7 | 26.1 | -31.5 | 0 | 0 | 0 | 108 | L36 | P34-L36 PolarHBondContact O-N 3.48Š|
| 35 | P | 57.4 | Low | 50.5 | Low | 118 Ų | 118 | 134.5 Ų | 134.5 | 77% | 0.766 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 132.1 | 175.3 | 23.8 | -30.8 | 0 | 0 | 0 | 108.9 | S37 | P35-S37 PolarHBondContact O-N 2.65Š|
| 36 | L | 54.5 | Low | 49.6 | Very low | 184 Ų | 184 | 137.8 Ų | 137.8 | 96% | 0.963 | 78% | 0.784 | S | S | * | * | S | Bend | trans | -62.6 | 80 | 170.1 | -67.2 | 172.5 | 0 | 0 | 0 | 109.5 | P34 | P34-L36 PolarHBondContact O-N 3.48Š|
| 37 | S | 47.8 | Very low | 48.9 | Very low | 108 Ų | 108 | 139 Ų | 139 | 76% | 0.755 | 78% | 0.783 | S | S | * | * | | | trans | -171.1 | 107.6 | 160.8 | -137.1 | 0 | 0 | 0 | 0 | 110.7 | P35 | P35-S37 PolarHBondContact O-N 2.65Š|
| 38 | S | 51.8 | Low | 48.5 | Very low | 109 Ų | 109 | 140.2 Ų | 140.2 | 76% | 0.762 | 79% | 0.787 | S | S | * | * | | | trans | -152 | 94.1 | 153 | -166.4 | 0 | 0 | 0 | 0 | 108.1 | H40 | S38-H40 PolarHBondContact O-N 3.37Š|
| 39 | E | 47.3 | Very low | 48.2 | Very low | 162 Ų | 162 | 136 Ų | 136 | 76% | 0.757 | 79% | 0.785 | S | S | * | * | | | trans | -5 | 106.3 | 147.6 | 56.5 | -156.8 | 94.6 | 0 | 0 | 116 | N41 | E39-N41 PolarHBondContact O-N 3.17Š|
| 40 | H | 41.4 | Very low | 47.7 | Very low | 187 Ų | 187 | 135.9 Ų | 135.9 | 87% | 0.866 | 79% | 0.787 | S | S | * | * | | | trans | -69.7 | 93.2 | 161.8 | 175.9 | 64.8 | 0 | 0 | 0 | 108.6 | S38 | S38-H40 PolarHBondContact O-N 3.37Š|
| 41 | N | 38.7 | Very low | 47.4 | Very low | 151 Ų | 151 | 139.5 Ų | 139.5 | 81% | 0.807 | 79% | 0.789 | S | S | * | * | | | trans | -106.4 | 129.1 | 164.7 | -152.7 | -45.9 | 0 | 0 | 0 | 108.4 | E39 | E39-N41 PolarHBondContact O-N 3.17Š|
| 42 | G | 42.2 | Very low | 47.1 | Very low | 46 Ų | 46 | 138.8 Ų | 138.8 | 47% | 0.474 | 79% | 0.787 | S | S | . | * | | | trans | -79.5 | 170.5 | -155.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 43 | Q | 41.2 | Very low | 46.2 | Very low | 204 Ų | 204 | 137.4 Ų | 137.4 | 95% | 0.953 | 78% | 0.78 | S | S | * | * | | | trans | -159.7 | 121 | 139.3 | -107.3 | 164.3 | 5.2 | 0 | 0 | 109.3 | | |
| 44 | V | 42.5 | Very low | 45.6 | Very low | 149 Ų | 149 | 139.7 Ų | 139.7 | 90% | 0.903 | 79% | 0.786 | S | S | * | * | | | trans | -93.8 | 137 | 169.8 | 163.6 | 0 | 0 | 0 | 0 | 107.5 | | |
| 45 | A | 40.2 | Very low | 44.9 | Very low | 90 Ų | 90 | 140.1 Ų | 140.1 | 74% | 0.744 | 78% | 0.783 | S | S | * | * | | | trans | 145.6 | 132.2 | 160.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 46 | E | 42.5 | Very low | 44.8 | Very low | 181 Ų | 181 | 138 Ų | 138 | 85% | 0.846 | 78% | 0.783 | S | S | * | * | | | cis | -159.6 | 137.8 | -6.7 | -79.1 | -165.9 | 125.5 | 0 | 0 | 104.8 | | |
| 47 | D | 40.5 | Very low | 44.6 | Very low | 154 Ų | 154 | 135 Ų | 135 | 82% | 0.824 | 77% | 0.771 | S | S | * | * | | | | 51.8 | 107.5 | 115.1 | -162.2 | 31.4 | 0 | 0 | 0 | 117.5 | | |
| 48 | A | 42.3 | Very low | 45.1 | Very low | 94 Ų | 94 | 135.1 Ų | 135.1 | 78% | 0.777 | 77% | 0.77 | S | S | * | * | | | trans | 175.7 | 112 | 131.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 49 | V | 46.3 | Very low | 45.3 | Very low | 131 Ų | 131 | 138.5 Ų | 138.5 | 79% | 0.794 | 77% | 0.774 | S | S | * | * | | | trans | -25.5 | 131.4 | 154.8 | 171.3 | 0 | 0 | 0 | 0 | 113.2 | | |
| 50 | S | 42.3 | Very low | 46.1 | Very low | 107 Ų | 107 | 136 Ų | 136 | 75% | 0.748 | 77% | 0.769 | S | S | * | * | | | | -177.2 | 131.1 | 83.3 | 17.5 | 0 | 0 | 0 | 0 | 112.6 | | |
| 51 | R | 46.1 | Very low | 47 | Very low | 235 Ų | 235 | 137.9 Ų | 137.9 | 89% | 0.887 | 77% | 0.769 | S | S | * | * | | | trans | -94.4 | 125.9 | 154.9 | -167.6 | -172.9 | -163.5 | -173.9 | 4.1 | 107 | | |
| 52 | P | 44.4 | Very low | 48 | Very low | 107 Ų | 107 | 135 Ų | 135 | 70% | 0.695 | 77% | 0.766 | S | S | * | * | | | | -148.5 | 161.3 | 115.8 | 37.2 | -20.1 | 0 | 0 | 0 | 110.1 | | |
| 53 | K | 37.2 | Very low | 49 | Very low | 153 Ų | 153 | 137.2 Ų | 137.2 | 67% | 0.665 | 78% | 0.78 | S | S | * | * | | | cis | -169.8 | 134.8 | 26.2 | -153.2 | 157 | 164.3 | -102.4 | 0 | 105.8 | D55 | K53-D55 WeakPolarHBondContact CD-OD2 3.44Å; K53-D55 IonicContact NZ-OD1 3.39Å; K53-D55 PolarHBondContact NZ-OD1 3.07Å; K53-D55 IonicContact NZ-OD2 2.72Å; K53-D55 PolarHBondContact NZ-OD2 3.44Å; K53-D55 PolarHBondContact O-N 3.31Å |
| 54 | D | 51.8 | Low | 50.1 | Low | 156 Ų | 156 | 139.6 Ų | 139.6 | 83% | 0.834 | 78% | 0.78 | S | S | * | * | | | trans | -61.7 | 114.5 | 154.5 | -96.2 | -70.7 | 0 | 0 | 0 | 107 | | |
| 55 | D | 44.1 | Very low | 51.2 | Low | 117 Ų | 117 | 138.7 Ų | 138.7 | 63% | 0.626 | 77% | 0.77 | S | S | * | * | | | trans | -132.2 | 114.5 | 164.1 | -89.2 | -51.4 | 0 | 0 | 0 | 106.9 | K53 | K53-D55 WeakPolarHBondContact CD-OD2 3.44Å; K53-D55 IonicContact NZ-OD1 3.39Å; K53-D55 PolarHBondContact NZ-OD1 3.07Å; K53-D55 IonicContact NZ-OD2 2.72Å; K53-D55 PolarHBondContact NZ-OD2 3.44Å; K53-D55 PolarHBondContact O-N 3.31Å |
| 56 | G | 56.7 | Low | 52.1 | Low | 74 Ų | 74 | 140 Ų | 140 | 76% | 0.763 | 77% | 0.771 | S | S | * | * | | | trans | -67 | 147 | -169.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 57 | V | 49.9 | Very low | 53.5 | Low | 119 Ų | 119 | 138.4 Ų | 138.4 | 72% | 0.721 | 76% | 0.764 | S | S | * | * | | | trans | -130.7 | 103.9 | 151.9 | -176.3 | 0 | 0 | 0 | 0 | 106.4 | E59 | V57-E59 VanDerWaalsContact C-N 3.26Å; V57-E59 HydrophobicContact CG1-CB 4.27Å; V57-E59 PolarHBondContact O-N 2.87Å |
| 58 | P | 58.1 | Low | 54.8 | Low | 111 Ų | 111 | 136.3 Ų | 136.3 | 72% | 0.721 | 76% | 0.758 | S | S | * | * | | | trans | -70.4 | 96.5 | 156.8 | 26.9 | -25.8 | 0 | 0 | 0 | 105.8 | V60 | P58-V60 PolarHBondContact O-N 3.37Š|
| 59 | E | 55 | Low | 56 | Low | 180 Ų | 180 | 139.5 Ų | 139.5 | 84% | 0.841 | 76% | 0.757 | S | S | * | * | | | trans | -69.8 | 84.7 | 177.9 | -154.4 | 175.2 | -166 | 0 | 0 | 108.5 | V57 R61 | V57-E59 VanDerWaalsContact C-N 3.26Å; V57-E59 HydrophobicContact CG1-CB 4.27Å; V57-E59 PolarHBondContact O-N 2.87Å; E59-R61 PolarHBondContact O-N 2.91Å |
| 60 | V | 64.6 | Low | 57.3 | Low | 110 Ų | 110 | 138 Ų | 138 | 67% | 0.667 | 74% | 0.744 | S | S | * | * | | | trans | -74.9 | 122.2 | 175.5 | 167.8 | 0 | 0 | 0 | 0 | 108.2 | P58 | P58-V60 PolarHBondContact O-N 3.37Š|
| 61 | R | 59.8 | Low | 58.5 | Low | 227 Ų | 227 | 140.3 Ų | 140.3 | 86% | 0.857 | 74% | 0.743 | S | S | * | * | | | trans | 78.7 | 73.2 | 170.9 | -65.3 | 174.1 | -179.6 | 139.8 | 1 | 115.4 | E59 A63 | E59-R61 PolarHBondContact O-N 2.91Å; R61-A63 PolarHBondContact O-N 3.04Å |
| 62 | A | 61 | Low | 59.6 | Low | 91 Ų | 91 | 131.3 Ų | 131.3 | 75% | 0.752 | 72% | 0.724 | S | S | * | * | | | trans | -48.3 | 123.2 | 139.9 | 0 | 0 | 0 | 0 | 0 | 108.5 | R64 | A62-R64 PolarHBondContact O-N 3.04Š|
| 63 | A | 63.1 | Low | 61.3 | Low | 92 Ų | 92 | 131.8 Ų | 131.8 | 76% | 0.76 | 72% | 0.717 | S | S | * | * | | | trans | -49.8 | 129.1 | 168 | 0 | 0 | 0 | 0 | 0 | 107.9 | R61 N65 | R61-A63 PolarHBondContact O-N 3.04Å; A63-N65 PolarHBondContact O-N 3Å |
| 64 | R | 63.7 | Low | 63.5 | Low | 254 Ų | 254 | 129.8 Ų | 129.8 | 96% | 0.958 | 71% | 0.713 | S | S | * | * | | | trans | -69 | 76.9 | 179.4 | -70.8 | -178.5 | 179.1 | 162.4 | -2.3 | 109.5 | A62 | A62-R64 PolarHBondContact O-N 3.04Š|
| 65 | N | 64.8 | Low | 65.1 | Low | 130 Ų | 130 | 128.3 Ų | 128.3 | 70% | 0.695 | 70% | 0.699 | S | S | * | * | | | trans | -70 | 130.7 | 158.9 | -153.7 | -15.6 | 0 | 0 | 0 | 106 | A63 E67 | A63-N65 PolarHBondContact O-N 3Å; N65-E67 PolarHBondContact O-N 3.2Å |
| 66 | P | 60.7 | Low | 67.1 | Low | 116 Ų | 116 | 128.8 Ų | 128.8 | 75% | 0.753 | 70% | 0.697 | S | S | * | * | | | trans | -69.5 | 76.9 | 166.8 | 30.9 | -34 | 0 | 0 | 0 | 107.6 | | |
| 67 | E | 70.8 | Confident | 68.6 | Low | 149 Ų | 149 | 129.5 Ų | 129.5 | 70% | 0.696 | 71% | 0.705 | S | S | * | * | | | trans | -50.8 | 130.6 | 157.6 | -163.8 | 89.9 | 115.2 | 0 | 0 | 105.6 | N65 Q69 | N65-E67 PolarHBondContact O-N 3.2Å; E67-Q69 PolarHBondContact O-N 3.25Å |
| 68 | P | 67.4 | Low | 70.6 | Confident | 109 Ų | 109 | 127.1 Ų | 127.1 | 71% | 0.708 | 69% | 0.691 | S | S | * | * | | | trans | -51.2 | 114 | 176.3 | 19.4 | -30.7 | 0 | 0 | 0 | 107 | D70 | P68-D70 PolarHBondContact O-N 3.03Š|
| 69 | Q | 68.6 | Low | 72.4 | Confident | 161 Ų | 161 | 125.8 Ų | 125.8 | 75% | 0.752 | 68% | 0.678 | S | S | * | * | | | trans | -50.2 | 112.7 | -177.7 | -70.2 | -179.2 | -4 | 0 | 0 | 106.4 | E67 Q71 | E67-Q69 PolarHBondContact O-N 3.25Å; Q69-Q71 PolarHBondContact O-N 3.03Å |
| 70 | D | 72.1 | Confident | 74.1 | Confident | 99 Ų | 99 | 121.7 Ų | 121.7 | 53% | 0.529 | 67% | 0.667 | S | S | . | * | | | trans | -60.1 | 111.8 | -179 | 169.5 | 27.8 | 0 | 0 | 0 | 105.7 | P68 G72 E73 | P68-D70 PolarHBondContact O-N 3.03Å; D70-G72 PolarHBondContact O-N 3.02Å; D70-G72 PolarHBondContact OD1-N 3.23Å; D70-G72 VanDerWaalsContact OD1-N 3.15Å; D70-E73 HydrophobicContact CB-CG 3.84Å; D70-E73 WeakPolarHBondContact O-CB 3.44Å; D70-E73 WeakPolarHBondContact O-CG 3.37Å; D70-E73 PolarHBondContact O-N 3.05Å |
| 71 | Q | 69.3 | Low | 75.5 | Confident | 156 Ų | 156 | 126.3 Ų | 126.3 | 73% | 0.729 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62 | -19 | -175 | -69.4 | 157.3 | 65.4 | 0 | 0 | 110.3 | Q69 E73 L74 | Q69-Q71 PolarHBondContact O-N 3.03Å; Q71-E73 PolarHBondContact O-N 3.5Å; Q71-L74 PolarHBondContact O-N 3.08Å |
| 72 | G | 69.1 | Low | 77.2 | Confident | 46 Ų | 46 | 117.7 Ų | 117.7 | 47% | 0.474 | 65% | 0.649 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -65.3 | -20.4 | 169.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | D70 | D70-G72 PolarHBondContact O-N 3.02Å; D70-G72 PolarHBondContact OD1-N 3.23Å; D70-G72 VanDerWaalsContact OD1-N 3.15Å |
| 73 | E | 79.6 | Confident | 78.7 | Confident | 118 Ų | 118 | 116.4 Ų | 116.4 | 55% | 0.551 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.1 | -26.4 | 178.1 | -49.4 | -140.6 | 127.8 | 0 | 0 | 113.7 | D70 Q71 F75 Q76 | D70-E73 HydrophobicContact CB-CG 3.84Å; D70-E73 WeakPolarHBondContact O-CB 3.44Å; D70-E73 WeakPolarHBondContact O-CG 3.37Å; D70-E73 PolarHBondContact O-N 3.05Å; Q71-E73 PolarHBondContact O-N 3.5Å; E73-F75 PolarHBondContact O-N 3.43Å; E73-Q76 WeakPolarHBondContact O-CB 3.43Å; E73-Q76 PolarHBondContact O-N 2.81Å; E73-Q76 PolarHBondContact OE1-NE2 3.09Å; E73-Q76 VanDerWaalsContact OE1-NE2 3.08Å |
| 74 | L | 82.4 | Confident | 80.1 | Confident | 111 Ų | 111 | 114.1 Ų | 114.1 | 58% | 0.581 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.8 | -25.9 | -175 | -64.2 | 174.9 | 0 | 0 | 0 | 113.1 | Q71 | Q71-L74 PolarHBondContact O-N 3.08Š|
| 75 | F | 85.3 | Confident | 81.5 | Confident | 124 Ų | 124 | 105.2 Ų | 105.2 | 54% | 0.544 | 59% | 0.587 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -116 | 12.5 | -179.2 | -53.4 | -71.1 | 0 | 0 | 0 | 112.7 | E73 G77 V78 L83 | E73-F75 PolarHBondContact O-N 3.43Å; F75-G77 PolarHBondContact O-N 3.49Å; F75-V78 HydrophobicContact CB-CB 4.42Å; F75-V78 HydrophobicContact CB-CG2 4.47Å; F75-V78 WeakPolarHBondContact O-CB 3.35Å; F75-V78 PolarHBondContact O-N 2.89Å; F75-L83 HydrophobicContact CD1-CD2 4.32Å |
| 76 | Q | 88.1 | Confident | 82.9 | Confident | 127 Ų | 127 | 103.4 Ų | 103.4 | 59% | 0.593 | 58% | 0.581 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.4 | 125.7 | 173.2 | -81.2 | -179.9 | 38.5 | 0 | 0 | 109.9 | E73 V78 | E73-Q76 WeakPolarHBondContact O-CB 3.43Å; E73-Q76 PolarHBondContact O-N 2.81Å; E73-Q76 PolarHBondContact OE1-NE2 3.09Å; E73-Q76 VanDerWaalsContact OE1-NE2 3.08Å; Q76-V78 VanDerWaalsContact C-N 3.32Å |
| 77 | G | 87.5 | Confident | 84.4 | Confident | 90 Ų | 90 | 102.8 Ų | 102.8 | 93% | 0.928 | 57% | 0.57 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 83.4 | -0.9 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | F75 | F75-G77 PolarHBondContact O-N 3.49Š|
| 78 | V | 92.3 | Very high | 85.3 | Confident | 69 Ų | 69 | 101.3 Ų | 101.3 | 42% | 0.418 | 57% | 0.567 | S | S | . | * | | | trans | -85.2 | 130.8 | 172 | -179.1 | 0 | 0 | 0 | 0 | 109.4 | F75 Q76 P80 L83 | F75-V78 HydrophobicContact CB-CB 4.42Å; F75-V78 HydrophobicContact CB-CG2 4.47Å; F75-V78 WeakPolarHBondContact O-CB 3.35Å; F75-V78 PolarHBondContact O-N 2.89Å; Q76-V78 VanDerWaalsContact C-N 3.32Å; V78-P80 VanDerWaalsContact O-CD 3.28Å; V78-P80 WeakPolarHBondContact O-CD 3.41Å; V78-L83 HydrophobicContact CG1-CB 4.14Å |
| 79 | D | 94.6 | Very high | 86.3 | Confident | 83 Ų | 83 | 101.4 Ų | 101.4 | 44% | 0.444 | 56% | 0.558 | S | S | . | * | | | trans | -69.1 | 117.3 | 170.6 | 172.1 | 24 | 0 | 0 | 0 | 109.8 | R81 A82 L83 | D79-R81 PolarHBondContact O-N 3.06Å; D79-R81 PolarHBondContact OD1-N 3.37Å; D79-A82 HydrophobicContact CB-CB 4Å; D79-A82 PolarHBondContact O-N 2.97Å; D79-A82 PolarHBondContact OD2-N 3.25Å; D79-A82 VanDerWaalsContact OD2-N 3.16Å; D79-L83 PolarHBondContact O-N 3.35Å |
| 80 | P | 92 | Very high | 87.2 | Confident | 94 Ų | 94 | 96.7 Ų | 96.7 | 61% | 0.61 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -61.5 | -27.2 | 180 | 24.1 | -34 | 0 | 0 | 0 | 112.8 | V78 A84 | V78-P80 VanDerWaalsContact O-CD 3.28Å; V78-P80 WeakPolarHBondContact O-CD 3.41Å; P80-A84 WeakPolarHBondContact O-CB 3.32Å; P80-A84 PolarHBondContact O-N 2.98Å |
| 81 | R | 92.9 | Very high | 87.8 | Confident | 207 Ų | 207 | 98.9 Ų | 98.9 | 78% | 0.781 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -73 | -44.9 | 178 | -64.3 | -177.4 | 178.7 | -160 | 0.2 | 111.5 | D79 L83 A84 S85 | D79-R81 PolarHBondContact O-N 3.06Å; D79-R81 PolarHBondContact OD1-N 3.37Å; R81-L83 VanDerWaalsContact C-N 3.34Å; R81-A84 PolarHBondContact O-N 2.91Å; R81-S85 PolarHBondContact O-N 3.26Å |
| 82 | A | 94.9 | Very high | 88.5 | Confident | 45 Ų | 45 | 97.7 Ų | 97.7 | 37% | 0.372 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -58.9 | -45.7 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | D79 A84 S85 V86 | D79-A82 HydrophobicContact CB-CB 4Å; D79-A82 PolarHBondContact O-N 2.97Å; D79-A82 PolarHBondContact OD2-N 3.25Å; D79-A82 VanDerWaalsContact OD2-N 3.16Å; A82-A84 PolarHBondContact O-N 2.98Å; A82-S85 PolarHBondContact O-N 2.89Å; A82-S85 PolarHBondContact O-OG 3.23Å; A82-V86 PolarHBondContact O-N 3.19Å; A82-V86 VanDerWaalsContact O-N 3.12Å |
| 83 | L | 93 | Very high | 88.5 | Confident | 65 Ų | 65 | 103.7 Ų | 103.7 | 34% | 0.34 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -59.1 | -46.2 | 177.2 | -179.3 | 62.2 | 0 | 0 | 0 | 112.1 | F75 V78 D79 R81 S85 V86 L87 | F75-L83 HydrophobicContact CD1-CD2 4.32Å; V78-L83 HydrophobicContact CG1-CB 4.14Å; D79-L83 PolarHBondContact O-N 3.35Å; R81-L83 VanDerWaalsContact C-N 3.34Å; L83-S85 VanDerWaalsContact C-N 3.29Å; L83-S85 PolarHBondContact O-N 2.93Å; L83-V86 PolarHBondContact O-N 3.43Å; L83-L87 HydrophobicContact CG-CD1 4.32Å; L83-L87 WeakPolarHBondContact O-CG 3.36Å; L83-L87 PolarHBondContact O-N 3.45Å; L83-L87 VanDerWaalsContact O-N 3.07Å |
| 84 | A | 92.8 | Very high | 87.6 | Confident | 44 Ų | 44 | 103 Ų | 103 | 36% | 0.364 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -59.5 | -40.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112 | P80 R81 A82 V86 L87 L88 | P80-A84 WeakPolarHBondContact O-CB 3.32Å; P80-A84 PolarHBondContact O-N 2.98Å; R81-A84 PolarHBondContact O-N 2.91Å; A82-A84 PolarHBondContact O-N 2.98Å; A84-V86 PolarHBondContact O-N 3.49Å; A84-L87 PolarHBondContact O-N 2.86Å; A84-L88 WeakPolarHBondContact O-CB 3.34Å; A84-L88 WeakPolarHBondContact O-CD1 3.38Å; A84-L88 WeakPolarHBondContact O-CG 3.39Å; A84-L88 PolarHBondContact O-N 3.15Å |
| 85 | S | 93.7 | Very high | 86.7 | Confident | 66 Ų | 66 | 103 Ų | 103 | 46% | 0.462 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -63.6 | -39.8 | 178.5 | 76.2 | 0 | 0 | 0 | 0 | 112.6 | R81 A82 L83 L88 Q89 | R81-S85 PolarHBondContact O-N 3.26Å; A82-S85 PolarHBondContact O-N 2.89Å; A82-S85 PolarHBondContact O-OG 3.23Å; L83-S85 VanDerWaalsContact C-N 3.29Å; L83-S85 PolarHBondContact O-N 2.93Å; S85-L88 PolarHBondContact O-N 3.4Å; S85-Q89 VanDerWaalsContact O-CB 3.23Å; S85-Q89 WeakPolarHBondContact O-CB 3.33Å; S85-Q89 PolarHBondContact O-N 3.34Å |
| 86 | V | 93.4 | Very high | 85.5 | Confident | 93 Ų | 93 | 101.2 Ų | 101.2 | 56% | 0.564 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -66.6 | -41 | 176.8 | 173.9 | 0 | 0 | 0 | 0 | 110.8 | A82 L83 A84 Q89 A90 | A82-V86 PolarHBondContact O-N 3.19Å; A82-V86 VanDerWaalsContact O-N 3.12Å; L83-V86 PolarHBondContact O-N 3.43Å; A84-V86 PolarHBondContact O-N 3.49Å; V86-Q89 PolarHBondContact O-N 2.78Å; V86-A90 WeakPolarHBondContact O-CB 3.47Å; V86-A90 PolarHBondContact O-N 3.5Å |
| 87 | L | 91.8 | Very high | 84.1 | Confident | 102 Ų | 102 | 100.3 Ų | 100.3 | 53% | 0.534 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -65.4 | -45.3 | 176.9 | -68.5 | 173.3 | 0 | 0 | 0 | 111.7 | L83 A84 Q89 A90 L91 | L83-L87 HydrophobicContact CG-CD1 4.32Å; L83-L87 WeakPolarHBondContact O-CG 3.36Å; L83-L87 PolarHBondContact O-N 3.45Å; L83-L87 VanDerWaalsContact O-N 3.07Å; A84-L87 PolarHBondContact O-N 2.86Å; L87-Q89 VanDerWaalsContact C-N 3.31Å; L87-Q89 PolarHBondContact O-N 3.25Å; L87-A90 WeakPolarHBondContact O-CB 3.11Å; L87-A90 PolarHBondContact O-N 3.41Å; L87-L91 WeakPolarHBondContact O-CG 3.49Å; L87-L91 PolarHBondContact O-N 3.02Å |
| 88 | L | 90.9 | Very high | 82.8 | Confident | 118 Ų | 118 | 101.5 Ų | 101.5 | 62% | 0.618 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -59.1 | -44.2 | 173.9 | -76.7 | 155.9 | 0 | 0 | 0 | 111.2 | A84 S85 A90 L91 D92 | A84-L88 WeakPolarHBondContact O-CB 3.34Å; A84-L88 WeakPolarHBondContact O-CD1 3.38Å; A84-L88 WeakPolarHBondContact O-CG 3.39Å; A84-L88 PolarHBondContact O-N 3.15Å; S85-L88 PolarHBondContact O-N 3.4Å; L88-A90 VanDerWaalsContact C-N 3.3Å; L88-A90 PolarHBondContact O-N 3.47Å; L88-L91 PolarHBondContact O-N 2.87Å; L88-D92 PolarHBondContact O-N 2.74Å |
| 89 | Q | 88.8 | Confident | 81.2 | Confident | 112 Ų | 112 | 103.9 Ų | 103.9 | 52% | 0.523 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -64.5 | -33.3 | 176.7 | -176.7 | 60.7 | 76.7 | 0 | 0 | 112.9 | S85 V86 L87 | S85-Q89 VanDerWaalsContact O-CB 3.23Å; S85-Q89 WeakPolarHBondContact O-CB 3.33Å; S85-Q89 PolarHBondContact O-N 3.34Å; V86-Q89 PolarHBondContact O-N 2.78Å; L87-Q89 VanDerWaalsContact C-N 3.31Å; L87-Q89 PolarHBondContact O-N 3.25Å |
| 90 | A | 87.6 | Confident | 79.1 | Confident | 61 Ų | 61 | 105.4 Ų | 105.4 | 50% | 0.504 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -70.6 | -34.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112 | V86 L87 L88 | V86-A90 WeakPolarHBondContact O-CB 3.47Å; V86-A90 PolarHBondContact O-N 3.5Å; L87-A90 WeakPolarHBondContact O-CB 3.11Å; L87-A90 PolarHBondContact O-N 3.41Å; L88-A90 VanDerWaalsContact C-N 3.3Å; L88-A90 PolarHBondContact O-N 3.47Å |
| 91 | L | 84.3 | Confident | 77.1 | Confident | 146 Ų | 146 | 106.7 Ų | 106.7 | 76% | 0.764 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -73.5 | -30 | 176.1 | -66.2 | 173.9 | 0 | 0 | 0 | 112.8 | L87 L88 R93 | L87-L91 WeakPolarHBondContact O-CG 3.49Å; L87-L91 PolarHBondContact O-N 3.02Å; L88-L91 PolarHBondContact O-N 2.87Å; L91-R93 PolarHBondContact O-N 3.32Å |
| 92 | D | 83 | Confident | 74.8 | Confident | 130 Ų | 130 | 100.8 Ų | 100.8 | 70% | 0.695 | 63% | 0.629 | S | S | * | * | S | Bend | trans | -77 | -9.5 | 179.6 | -158.9 | 40.7 | 0 | 0 | 0 | 113.1 | L88 | L88-D92 PolarHBondContact O-N 2.74Š|
| 93 | R | 68.9 | Low | 72 | Confident | 173 Ų | 173 | 102.2 Ų | 102.2 | 65% | 0.653 | 65% | 0.648 | S | S | * | * | S | Bend | trans | -83.2 | 121.3 | 174 | -159.8 | 173.1 | -86.6 | 154.8 | -7.4 | 108.3 | L91 A95 | L91-R93 PolarHBondContact O-N 3.32Å; R93-A95 PolarHBondContact O-N 3.11Å; R93-A95 VanDerWaalsContact O-N 3.15Å |
| 94 | P | 62.2 | Low | 70.1 | Confident | 102 Ų | 102 | 103.4 Ų | 103.4 | 66% | 0.662 | 66% | 0.661 | S | S | * | * | | | trans | -55.4 | 127.1 | 174.2 | 23.2 | -31.8 | 0 | 0 | 0 | 107.7 | S96 | P94-S96 PolarHBondContact O-N 3.5Å; P94-S96 PolarHBondContact O-OG 3.28Å |
| 95 | A | 62.1 | Low | 67.6 | Low | 112 Ų | 112 | 109.4 Ų | 109.4 | 93% | 0.926 | 68% | 0.682 | S | S | * | * | | | trans | -47.2 | 81.8 | -171 | 0 | 0 | 0 | 0 | 0 | 112.4 | R93 | R93-A95 PolarHBondContact O-N 3.11Å; R93-A95 VanDerWaalsContact O-N 3.15Å |
| 96 | S | 60.1 | Low | 65.4 | Low | 86 Ų | 86 | 115.6 Ų | 115.6 | 60% | 0.601 | 70% | 0.704 | S | S | * | * | P | Polyproline II helix | trans | -96.5 | 137.1 | 172.2 | -66.7 | 0 | 0 | 0 | 0 | 105.2 | P94 | P94-S96 PolarHBondContact O-N 3.5Å; P94-S96 PolarHBondContact O-OG 3.28Å |
| 97 | P | 59.1 | Low | 62.9 | Low | 109 Ų | 109 | 114 Ų | 114 | 71% | 0.708 | 71% | 0.706 | S | S | * | * | P | Polyproline II helix | trans | -53.7 | 144 | -179.6 | 24 | -33.1 | 0 | 0 | 0 | 109.3 | S99 | P97-S99 PolarHBondContact O-N 3.48Š|
| 98 | P | 60.4 | Low | 60.7 | Low | 115 Ų | 115 | 113.5 Ų | 113.5 | 75% | 0.747 | 71% | 0.708 | S | S | * | * | P | Polyproline II helix | trans | -54.6 | 116 | 175.3 | 23.9 | -32.2 | 0 | 0 | 0 | 107.2 | V100 | P98-V100 PolarHBondContact O-N 2.95Š|
| 99 | S | 59.3 | Low | 58.8 | Low | 119 Ų | 119 | 113.7 Ų | 113.7 | 83% | 0.832 | 72% | 0.716 | S | S | * | * | | | trans | -67.9 | 91.6 | 165.7 | -65.5 | 0 | 0 | 0 | 0 | 105.7 | P97 | P97-S99 PolarHBondContact O-N 3.48Š|
| 100 | V | 49.9 | Very low | 57 | Low | 115 Ų | 115 | 116.3 Ų | 116.3 | 70% | 0.697 | 73% | 0.728 | S | S | * | * | | | trans | -51.9 | 129.3 | 165.3 | -169.1 | 0 | 0 | 0 | 0 | 106 | P98 G102 | P98-V100 PolarHBondContact O-N 2.95Å; V100-G102 PolarHBondContact O-N 2.72Å |
| 101 | P | 49.9 | Very low | 55.2 | Low | 120 Ų | 120 | 120.2 Ų | 120.2 | 78% | 0.779 | 74% | 0.736 | S | S | * | * | | | trans | -53.2 | 117 | 171.1 | -19.2 | 29.7 | 0 | 0 | 0 | 107.1 | G103 | P101-G103 PolarHBondContact O-N 3.29Š|
| 102 | G | 44.1 | Very low | 53.7 | Low | 83 Ų | 83 | 115.8 Ų | 115.8 | 86% | 0.856 | 72% | 0.721 | S | S | * | * | | | trans | -58.7 | 92.7 | -171.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | V100 S104 | V100-G102 PolarHBondContact O-N 2.72Å; G102-S104 PolarHBondContact O-N 3.39Å |
| 103 | G | 37.7 | Very low | 52.4 | Low | 75 Ų | 75 | 112.5 Ų | 112.5 | 77% | 0.773 | 71% | 0.711 | S | S | * | * | | | trans | -78.9 | 97.3 | 155.5 | 0 | 0 | 0 | 0 | 0 | 108.1 | P101 | P101-G103 PolarHBondContact O-N 3.29Š|
| 104 | S | 52.1 | Low | 51.6 | Low | 90 Ų | 90 | 111.4 Ų | 111.4 | 63% | 0.629 | 71% | 0.713 | S | S | * | * | | | trans | -17 | 128.6 | 159.4 | 148.6 | 0 | 0 | 0 | 0 | 116 | G102 | G102-S104 PolarHBondContact O-N 3.39Š|
| 105 | Q | 39.9 | Very low | 51.2 | Low | 170 Ų | 170 | 109.1 Ų | 109.1 | 79% | 0.794 | 70% | 0.703 | S | S | * | * | | | trans | 78.5 | 106.6 | 149.9 | -63.6 | 179.6 | 71.9 | 0 | 0 | 116 | | |
| 106 | Q | 48.4 | Very low | 50.8 | Low | 196 Ų | 196 | 110.1 Ų | 110.1 | 92% | 0.916 | 69% | 0.692 | S | S | * | * | | | | 55.8 | 109 | 79.2 | -169.7 | 155.7 | -41.4 | 0 | 0 | 111.6 | | |
| 107 | G | 40.5 | Very low | 50.7 | Low | 60 Ų | 60 | 112.8 Ų | 112.8 | 62% | 0.619 | 70% | 0.699 | S | S | * | * | | | trans | 122.3 | 104.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 108 | T | 45.6 | Very low | 50.4 | Low | 92 Ų | 92 | 112.7 Ų | 112.7 | 56% | 0.564 | 70% | 0.697 | S | S | * | * | | | trans | -42 | 130.6 | 155.8 | -3.6 | 0 | 0 | 0 | 0 | 108.9 | E110 E111 | T108-E110 PolarHBondContact O-N 3.26Å; T108-E111 PolarHBondContact O-N 3.04Å; T108-E111 VanDerWaalsContact O-N 3.16Å |
| 109 | P | 50.5 | Low | 50.2 | Low | 121 Ų | 121 | 114.1 Ų | 114.1 | 79% | 0.786 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.5 | -10.3 | -174.6 | 24.8 | -34.2 | 0 | 0 | 0 | 113.9 | | |
| 110 | E | 50.8 | Low | 50 | Low | 167 Ų | 167 | 113.4 Ų | 113.4 | 78% | 0.78 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.7 | -23.3 | -178.5 | -154.9 | 163.9 | 171.7 | 0 | 0 | 113 | T108 | T108-E110 PolarHBondContact O-N 3.26Š|
| 111 | E | 50.6 | Low | 50.3 | Low | 143 Ų | 143 | 113.6 Ų | 113.6 | 67% | 0.668 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -93.3 | -23.4 | -177.1 | -152 | 170.9 | 157.4 | 0 | 0 | 112.5 | T108 A115 | T108-E111 PolarHBondContact O-N 3.04Å; T108-E111 VanDerWaalsContact O-N 3.16Å; E111-A115 PolarHBondContact O-N 3.21Å |
| 112 | A | 52.9 | Low | 50.8 | Low | 54 Ų | 54 | 118.4 Ų | 118.4 | 45% | 0.446 | 69% | 0.692 | S | S | . | * | H | α-helix | trans | -75.5 | -22.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | L116 | A112-L116 WeakPolarHBondContact O-CD1 3.48Å; A112-L116 WeakPolarHBondContact O-CG 3.41Å |
| 113 | A | 54.7 | Low | 51.1 | Low | 60 Ų | 60 | 119.3 Ų | 119.3 | 50% | 0.496 | 69% | 0.685 | S | S | . | * | H | α-helix | trans | -77.1 | -30.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 114 | E | 51.8 | Low | 52.1 | Low | 150 Ų | 150 | 124.3 Ų | 124.3 | 70% | 0.701 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -87.4 | -28.6 | -179.3 | -60.5 | -161.7 | 148.8 | 0 | 0 | 113 | L117 | E114-L117 PolarHBondContact O-N 3.14Å |
| 115 | A | 54.5 | Low | 52.6 | Low | 54 Ų | 54 | 125.6 Ų | 125.6 | 45% | 0.446 | 69% | 0.693 | S | S | . | * | H | α-helix | trans | -67.9 | -34.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | E111 L117 T118 | E111-A115 PolarHBondContact O-N 3.21Å; A115-L117 PolarHBondContact O-N 2.77Å; A115-T118 PolarHBondContact O-N 2.71Å |
| 116 | L | 54.6 | Low | 53.6 | Low | 133 Ų | 133 | 126.2 Ų | 126.2 | 70% | 0.696 | 70% | 0.695 | S | S | * | * | H | α-helix | trans | -70.2 | -17.1 | 179.2 | -68.1 | 174.3 | 0 | 0 | 0 | 113.9 | A112 | A112-L116 WeakPolarHBondContact O-CD1 3.48Å; A112-L116 WeakPolarHBondContact O-CG 3.41Å |
| 117 | L | 57.1 | Low | 53.9 | Low | 142 Ų | 142 | 121.7 Ų | 121.7 | 74% | 0.743 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -88.6 | -16.2 | -178.8 | -69.8 | 175.1 | 0 | 0 | 0 | 113.9 | E114 A115 | E114-L117 PolarHBondContact O-N 3.14Å; A115-L117 PolarHBondContact O-N 2.77Å |
| 118 | T | 53.2 | Low | 54.6 | Low | 108 Ų | 108 | 127.1 Ų | 127.1 | 66% | 0.663 | 70% | 0.699 | S | S | * | * | H | α-helix | trans | -110 | -14.7 | -177 | 56.6 | 0 | 0 | 0 | 0 | 114.4 | A115 | A115-T118 PolarHBondContact O-N 2.71Å |
| 119 | E | 56.5 | Low | 55.2 | Low | 144 Ų | 144 | 128.1 Ų | 128.1 | 67% | 0.673 | 71% | 0.707 | S | S | * | * | G | 310 helix | trans | -81.7 | -23.7 | 178.2 | -166.5 | 172.5 | 172.6 | 0 | 0 | 113.6 | V121 | E119-V121 VanDerWaalsContact C-N 3.27Å; E119-V121 PolarHBondContact O-N 2.73Å; E119-V121 VanDerWaalsContact O-N 3.13Å |
| 120 | S | 55.7 | Low | 55.5 | Low | 105 Ų | 105 | 126.8 Ų | 126.8 | 73% | 0.734 | 71% | 0.706 | S | S | * | * | G | 310 helix | trans | -82.5 | 17.5 | -174.3 | -166 | 0 | 0 | 0 | 0 | 115.9 | | |
| 121 | V | 56.1 | Low | 55.6 | Low | 118 Ų | 118 | 124.3 Ų | 124.3 | 72% | 0.715 | 71% | 0.705 | S | S | * | * | G | 310 helix | trans | -119.5 | -12.8 | 177.4 | -173.7 | 0 | 0 | 0 | 0 | 113.6 | E119 | E119-V121 VanDerWaalsContact C-N 3.27Å; E119-V121 PolarHBondContact O-N 2.73Å; E119-V121 VanDerWaalsContact O-N 3.13Å |
| 122 | R | 58.9 | Low | 55.7 | Low | 222 Ų | 222 | 126.1 Ų | 126.1 | 84% | 0.838 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.1 | -9.8 | 178.3 | -80.1 | -168.3 | 174.7 | 96 | -1 | 115.7 | Q124 | R122-Q124 VanDerWaalsContact C-N 3.26Å; R122-Q124 PolarHBondContact O-N 3.36Å |
| 123 | S | 52.2 | Low | 55.7 | Low | 101 Ų | 101 | 131.2 Ų | 131.2 | 71% | 0.706 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.6 | 13.7 | -179.7 | -49 | 0 | 0 | 0 | 0 | 114.5 | | |
| 124 | Q | 57.3 | Low | 55.6 | Low | 181 Ų | 181 | 136.8 Ų | 136.8 | 85% | 0.846 | 75% | 0.747 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.3 | 13.9 | -178.5 | -131.8 | -175.6 | 22.3 | 0 | 0 | 114.5 | R122 | R122-Q124 VanDerWaalsContact C-N 3.26Å; R122-Q124 PolarHBondContact O-N 3.36Å |
| 125 | T | 63 | Low | 55.8 | Low | 117 Ų | 117 | 133.7 Ų | 133.7 | 72% | 0.718 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -148.7 | 93.7 | 171.9 | 40.8 | 0 | 0 | 0 | 0 | 110.8 | | |
| 126 | H | 61.2 | Low | 55.6 | Low | 183 Ų | 183 | 137 Ų | 137 | 85% | 0.847 | 76% | 0.764 | S | S | * | * | | | trans | 129.8 | 107.2 | 171.8 | -87.6 | -81.3 | 0 | 0 | 0 | 107.7 | | |
| 127 | S | 54.5 | Low | 55.6 | Low | 101 Ų | 101 | 135.5 Ų | 135.5 | 71% | 0.706 | 77% | 0.771 | S | S | * | * | | | cis | -166.6 | 120.3 | 45.6 | -58.8 | 0 | 0 | 0 | 0 | 108.6 | | |
| 128 | L | 55 | Low | 55.3 | Low | 173 Ų | 173 | 135.5 Ų | 135.5 | 91% | 0.906 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -86.4 | 127.1 | 152.8 | -80.5 | 166.4 | 0 | 0 | 0 | 106.5 | A130 | L128-A130 PolarHBondContact O-N 3.28Š|
| 129 | P | 58.8 | Low | 55.1 | Low | 114 Ų | 114 | 134.3 Ų | 134.3 | 74% | 0.74 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 130.5 | 168.3 | 27.5 | -28.4 | 0 | 0 | 0 | 108.2 | | |
| 130 | A | 56.9 | Low | 55.3 | Low | 92 Ų | 92 | 137.1 Ų | 137.1 | 76% | 0.76 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 135.9 | 172.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | L128 E132 | L128-A130 PolarHBondContact O-N 3.28Å; A130-E132 PolarHBondContact O-N 3.01Å |
| 131 | P | 52.2 | Low | 55.3 | Low | 115 Ų | 115 | 138.7 Ų | 138.7 | 75% | 0.747 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 126.8 | 171.4 | -13.7 | 27.5 | 0 | 0 | 0 | 109.7 | I133 | P131-I133 PolarHBondContact O-N 2.82Å; P131-I133 VanDerWaalsContact O-N 3.1Å |
| 132 | E | 52.7 | Low | 55.2 | Low | 181 Ų | 181 | 139.8 Ų | 139.8 | 85% | 0.846 | 82% | 0.817 | S | S | * | * | | | trans | -57.4 | 112.1 | 165.3 | -93.7 | -175.1 | 101.6 | 0 | 0 | 109.5 | A130 Q134 | A130-E132 PolarHBondContact O-N 3.01Å; E132-Q134 PolarHBondContact O-N 3.33Å |
| 133 | I | 53.2 | Low | 55 | Low | 161 Ų | 161 | 135.2 Ų | 135.2 | 83% | 0.826 | 82% | 0.816 | S | S | * | * | | | trans | -84.2 | 101.5 | 169.8 | -64 | 169 | 0 | 0 | 0 | 107 | P131 A135 | P131-I133 PolarHBondContact O-N 2.82Å; P131-I133 VanDerWaalsContact O-N 3.1Å; I133-A135 PolarHBondContact O-N 2.79Å |
| 134 | Q | 52.7 | Low | 55.2 | Low | 177 Ų | 177 | 137.2 Ų | 137.2 | 83% | 0.827 | 82% | 0.822 | S | S | * | * | | | trans | -72.1 | 114.6 | 163.2 | -70 | -177.1 | 23.7 | 0 | 0 | 108.6 | E132 | E132-Q134 PolarHBondContact O-N 3.33Š|
| 135 | A | 56.6 | Low | 55.1 | Low | 86 Ų | 86 | 134.5 Ų | 134.5 | 71% | 0.711 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -76.5 | 135.7 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110 | I133 A137 | I133-A135 PolarHBondContact O-N 2.79Å; A135-A137 PolarHBondContact O-N 3.02Å |
| 136 | P | 50.4 | Low | 54.6 | Low | 122 Ų | 122 | 135.7 Ų | 135.7 | 79% | 0.792 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 128 | 171.1 | 27.2 | -29.1 | 0 | 0 | 0 | 109.6 | V138 | P136-V138 PolarHBondContact O-N 3.32Š|
| 137 | A | 53.2 | Low | 54.1 | Low | 102 Ų | 102 | 132.3 Ų | 132.3 | 84% | 0.843 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 123.6 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | A135 | A135-A137 PolarHBondContact O-N 3.02Š|
| 138 | V | 51.9 | Low | 54.1 | Low | 143 Ų | 143 | 134.7 Ų | 134.7 | 87% | 0.867 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -74 | 121.4 | 164.3 | 169 | 0 | 0 | 0 | 0 | 107.6 | P136 | P136-V138 PolarHBondContact O-N 3.32Š|
| 139 | A | 48.5 | Very low | 54 | Low | 82 Ų | 82 | 131.5 Ų | 131.5 | 68% | 0.678 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -84.6 | 152.5 | 170.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 140 | P | 60.7 | Low | 53.5 | Low | 203 Ų | 203 | 133.1 Ų | 133.1 | 100% | 1.318 | 84% | 0.838 | S | S | * | * | | | trans | -71.2 | 0 | -178.3 | 31.1 | -36.3 | 0 | 0 | 0 | 114.1 | | |