| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 38.8 | Very low | 39.7 | Very low | 243 Ų | 243 | 155.1 Ų | 155.1 | 100% | 1.197 | 80% | 0.804 | S | S | * | * | 0 | 82.7 | 0 | -63.3 | 176.6 | 178.8 | 0 | 0 | 105.9 | |||||
| 2 | N | 34.6 | Very low | 39.9 | Very low | 153 Ų | 153 | 148.7 Ų | 148.7 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | 48.7 | 90.5 | 90.5 | -89.3 | 21.3 | 0 | 0 | 0 | 115.7 | |||||
| 3 | I | 39.5 | Very low | 40 | Very low | 142 Ų | 142 | 147 Ų | 147 | 73% | 0.728 | 79% | 0.793 | S | S | * | * | 40.7 | 130.4 | 124 | -56 | 173.5 | 0 | 0 | 0 | 116.6 | I5 | I3-I5 HydrophobicContact CG2-CG1 3.99Š| |||
| 4 | P | 45.6 | Very low | 40 | Very low | 111 Ų | 111 | 145.9 Ų | 145.9 | 72% | 0.721 | 79% | 0.794 | S | S | * | * | -150.9 | 143.8 | 68 | 29.1 | -3.3 | 0 | 0 | 0 | 120.6 | |||||
| 5 | I | 40.7 | Very low | 40.2 | Very low | 133 Ų | 133 | 148.5 Ų | 148.5 | 68% | 0.682 | 80% | 0.795 | S | S | * | * | 81 | 129.9 | 93.5 | -38 | 155.9 | 0 | 0 | 0 | 116.3 | I3 | I3-I5 HydrophobicContact CG2-CG1 3.99Š| |||
| 6 | N | 35.7 | Very low | 40.4 | Very low | 131 Ų | 131 | 147.8 Ų | 147.8 | 70% | 0.701 | 80% | 0.797 | S | S | * | * | trans | 114.8 | 143.1 | 145 | -65.2 | -38.3 | 0 | 0 | 0 | 116 | ||||
| 7 | Y | 36.4 | Very low | 40.4 | Very low | 187 Ų | 187 | 149 Ų | 149 | 73% | 0.733 | 80% | 0.796 | S | S | * | * | cis | -166 | 152.3 | -9.8 | -126.4 | -124.1 | 0 | 0 | 0 | 105.6 | ||||
| 8 | D | 44.1 | Very low | 40.7 | Very low | 130 Ų | 130 | 145.8 Ų | 145.8 | 70% | 0.695 | 79% | 0.794 | S | S | * | * | trans | 40 | 117.7 | 153.9 | -56.3 | -20.7 | 0 | 0 | 0 | 122.7 | ||||
| 9 | D | 35.9 | Very low | 41.1 | Very low | 163 Ų | 163 | 144.5 Ų | 144.5 | 87% | 0.872 | 79% | 0.791 | S | S | * | * | -175 | 119.1 | 117.5 | -107.1 | -33.1 | 0 | 0 | 0 | 111.3 | |||||
| 10 | E | 43.6 | Very low | 41.8 | Very low | 187 Ų | 187 | 143.7 Ų | 143.7 | 87% | 0.874 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -75 | 136.6 | 164.9 | -81.7 | -168.8 | 141.5 | 0 | 0 | 110.3 | ||
| 11 | P | 42.3 | Very low | 42.4 | Very low | 126 Ų | 126 | 144.9 Ų | 144.9 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -96.4 | 123.3 | 152.1 | 31.2 | -27 | 0 | 0 | 0 | 110.8 | ||
| 12 | A | 41.9 | Very low | 43.4 | Very low | 78 Ų | 78 | 136.7 Ų | 136.7 | 65% | 0.645 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -51 | 153.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | T14 | A12-T14 PolarHBondContact O-N 3.14Š|
| 13 | P | 40.3 | Very low | 45.1 | Very low | 127 Ų | 127 | 134.1 Ų | 134.1 | 83% | 0.825 | 75% | 0.754 | S | S | * | * | trans | -69.9 | 115.2 | 178.2 | 28.7 | -33.8 | 0 | 0 | 0 | 111 | K15 | P13-K15 PolarHBondContact O-N 3.32Š| ||
| 14 | T | 40.5 | Very low | 47.1 | Very low | 132 Ų | 132 | 131.6 Ų | 131.6 | 81% | 0.81 | 74% | 0.735 | S | S | * | * | trans | -66.4 | 112.3 | 167.6 | 46.3 | 0 | 0 | 0 | 0 | 108.9 | A12 V16 | A12-T14 PolarHBondContact O-N 3.14Å; T14-V16 PolarHBondContact O-N 3.26Å | ||
| 15 | K | 43 | Very low | 48.9 | Very low | 184 Ų | 184 | 129.7 Ų | 129.7 | 80% | 0.8 | 72% | 0.722 | S | S | * | * | trans | -63.6 | 102.5 | 170.8 | -74.3 | 178.6 | 178.8 | 175.6 | 0 | 108.5 | P13 H17 | P13-K15 PolarHBondContact O-N 3.32Å; K15-H17 PolarHBondContact O-N 2.87Å; K15-H17 VanDerWaalsContact O-N 3.11Å | ||
| 16 | V | 43 | Very low | 51 | Low | 138 Ų | 138 | 123.5 Ų | 123.5 | 84% | 0.836 | 69% | 0.691 | S | S | * | * | trans | -62.8 | 107.5 | 159.8 | -79.2 | 0 | 0 | 0 | 0 | 107.8 | T14 A18 | T14-V16 PolarHBondContact O-N 3.26Å; V16-A18 PolarHBondContact O-N 3.07Å | ||
| 17 | H | 41 | Very low | 53.1 | Low | 168 Ų | 168 | 123.7 Ų | 123.7 | 78% | 0.778 | 69% | 0.69 | S | S | * | * | trans | -63.9 | 106.8 | 168.8 | -78.6 | -87.9 | 0 | 0 | 0 | 107.9 | K15 T19 | K15-H17 PolarHBondContact O-N 2.87Å; K15-H17 VanDerWaalsContact O-N 3.11Å; H17-T19 VanDerWaalsContact C-N 3.35Å; H17-T19 PolarHBondContact O-N 2.88Å | ||
| 18 | A | 46.5 | Very low | 55 | Low | 92 Ų | 92 | 115.7 Ų | 115.7 | 76% | 0.76 | 66% | 0.661 | S | S | * | * | trans | -66.6 | 98.1 | 164.2 | 0 | 0 | 0 | 0 | 0 | 107.7 | V16 T20 | V16-A18 PolarHBondContact O-N 3.07Å; A18-T20 PolarHBondContact O-N 3.29Å | ||
| 19 | T | 47.8 | Very low | 56.7 | Low | 121 Ų | 121 | 109.9 Ų | 109.9 | 74% | 0.742 | 63% | 0.631 | S | S | * | * | trans | -58.7 | 108.3 | 169.8 | -50.3 | 0 | 0 | 0 | 0 | 107.9 | H17 M21 | H17-T19 VanDerWaalsContact C-N 3.35Å; H17-T19 PolarHBondContact O-N 2.88Å; T19-M21 PolarHBondContact O-N 3.2Å; T19-M21 VanDerWaalsContact O-N 3.1Å | ||
| 20 | T | 53.9 | Low | 58.8 | Low | 128 Ų | 128 | 111.8 Ų | 111.8 | 79% | 0.785 | 63% | 0.626 | S | S | * | * | trans | -70.6 | 103.2 | 174.3 | -56.2 | 0 | 0 | 0 | 0 | 107.1 | A18 S22 | A18-T20 PolarHBondContact O-N 3.29Å; T20-S22 PolarHBondContact O-N 3.38Å; T20-S22 VanDerWaalsContact O-N 3.16Å | ||
| 21 | M | 56 | Low | 60.7 | Low | 168 Ų | 168 | 105.4 Ų | 105.4 | 83% | 0.828 | 60% | 0.6 | S | S | * | * | trans | -72.1 | 106.5 | 174.7 | -71.9 | -147.6 | 176.1 | 0 | 0 | 109.7 | T19 S23 | T19-M21 PolarHBondContact O-N 3.2Å; T19-M21 VanDerWaalsContact O-N 3.1Å; M21-S23 PolarHBondContact O-N 3.36Å | ||
| 22 | S | 60 | Low | 62.6 | Low | 72 Ų | 72 | 102.7 Ų | 102.7 | 50% | 0.503 | 59% | 0.588 | S | S | . | * | trans | -60.2 | 116 | 171.6 | -49.1 | 0 | 0 | 0 | 0 | 109.7 | T20 Y24 | T20-S22 PolarHBondContact O-N 3.38Å; T20-S22 VanDerWaalsContact O-N 3.16Å; S22-Y24 VanDerWaalsContact O-CD2 3.24Å; S22-Y24 WeakPolarHBondContact O-CD2 3.46Å; S22-Y24 WeakPolarHBondContact O-CE2 3.5Å; S22-Y24 PolarHBondContact O-N 3.42Å | ||
| 23 | S | 70.4 | Confident | 64.6 | Low | 99 Ų | 99 | 100.5 Ų | 100.5 | 69% | 0.692 | 56% | 0.564 | S | S | * | * | trans | -83.5 | 111.8 | 176.7 | 52.3 | 0 | 0 | 0 | 0 | 110.5 | M21 | M21-S23 PolarHBondContact O-N 3.36Š| ||
| 24 | Y | 80.3 | Confident | 66.4 | Low | 88 Ų | 88 | 98.3 Ų | 98.3 | 35% | 0.345 | 56% | 0.557 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -86.9 | 116.2 | 179.5 | -63.7 | -85.1 | 0 | 0 | 0 | 109.3 | S22 A32 F33 D35 G36 | S22-Y24 VanDerWaalsContact O-CD2 3.24Å; S22-Y24 WeakPolarHBondContact O-CD2 3.46Å; S22-Y24 WeakPolarHBondContact O-CE2 3.5Å; S22-Y24 PolarHBondContact O-N 3.42Å; Y24-A32 CarbonylContact O-C 3.57Å; Y24-F33 PolarHBondContact N-O 2.9Å; Y24-F33 PolarHBondContact O-N 3.09Å; Y24-D35 VanDerWaalsContact CD2-C 3.45Å; Y24-G36 VanDerWaalsContact CE2-N 3.3Å |
| 25 | T | 84.4 | Confident | 68.4 | Low | 72 Ų | 72 | 96.6 Ų | 96.6 | 44% | 0.442 | 54% | 0.543 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 147.9 | -175.6 | 65 | 0 | 0 | 0 | 0 | 112.5 | V31 A32 Q39 | T25-V31 WeakPolarHBondContact CA-O 3.42Å; T25-A32 HydrophobicContact CG2-CB 3.84Å; T25-Q39 PolarHBondContact O-NE2 3.08Å |
| 26 | C | 83.6 | Confident | 70.1 | Confident | 3 Ų | 3 | 88.5 Ų | 88.5 | 2% | 0.02 | 51% | 0.512 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 111.8 | 173.6 | 175.3 | 0 | 0 | 0 | 0 | 109.9 | S28 C29 R30 V31 F33 H42 H48 | C26-S28 VanDerWaalsContact C-N 3.32Å; C26-S28 PolarHBondContact O-N 3.06Å; C26-C29 HydrophobicContact CB-CB 4.46Å; C26-C29 PolarHBondContact O-N 3.02Å; C26-R30 VanDerWaalsContact O-CA 3.32Å; C26-R30 WeakPolarHBondContact O-CA 3.49Å; C26-R30 PolarHBondContact O-N 3.06Å; C26-V31 PolarHBondContact N-O 3.27Å; C26-V31 PolarHBondContact O-N 2.77Å; C26-F33 HydrophobicContact CB-CE2 3.96Å; C26-H42 PolarHBondContact SG-NE2 3.4Å; C26-H48 PolarHBondContact SG-CE1 2.93Å; C26-H48 PolarHBondContact SG-ND1 3.05Å |
| 27 | I | 80.3 | Confident | 72 | Confident | 134 Ų | 134 | 88.5 Ų | 88.5 | 69% | 0.687 | 50% | 0.503 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.2 | -32.4 | -176.2 | -61.6 | 166.1 | 0 | 0 | 0 | 111.8 | ||
| 28 | S | 76.8 | Confident | 74 | Confident | 19 Ų | 19 | 83.9 Ų | 83.9 | 13% | 0.133 | 49% | 0.486 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.9 | -29.5 | -178.7 | -61.1 | 0 | 0 | 0 | 0 | 113 | C26 K55 | C26-S28 VanDerWaalsContact C-N 3.32Å; C26-S28 PolarHBondContact O-N 3.06Å; S28-K55 PolarHBondContact OG-NZ 3.08Å |
| 29 | C | 78.8 | Confident | 75.6 | Confident | 9 Ų | 9 | 81.2 Ų | 81.2 | 6% | 0.061 | 46% | 0.458 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.6 | -7.7 | 179.3 | -62.4 | 0 | 0 | 0 | 0 | 113.5 | C26 V31 H42 W47 | C26-C29 HydrophobicContact CB-CB 4.46Å; C26-C29 PolarHBondContact O-N 3.02Å; C29-V31 VanDerWaalsContact C-N 3.29Å; C29-V31 PolarHBondContact O-N 2.96Å; C29-H42 PolarHBondContact SG-CE1 2.8Å; C29-H42 PolarHBondContact SG-NE2 3.07Å; C29-W47 HydrophobicContact CB-CH2 3.58Å; C29-W47 HydrophobicContact CB-CZ2 3.92Å; C29-W47 HydrophobicContact CB-CZ3 4.09Å |
| 30 | R | 81 | Confident | 77.4 | Confident | 202 Ų | 202 | 83 Ų | 83 | 76% | 0.762 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.6 | 41.1 | -177 | -58.7 | -178.1 | 179 | 167.4 | -1.5 | 113.5 | C26 | C26-R30 VanDerWaalsContact O-CA 3.32Å; C26-R30 WeakPolarHBondContact O-CA 3.49Å; C26-R30 PolarHBondContact O-N 3.06Å |
| 31 | V | 82.3 | Confident | 78.8 | Confident | 53 Ų | 53 | 79.5 Ų | 79.5 | 32% | 0.321 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 142.2 | 178.2 | 172.2 | 0 | 0 | 0 | 0 | 110.6 | T25 C26 C29 F33 W47 | T25-V31 WeakPolarHBondContact CA-O 3.42Å; C26-V31 PolarHBondContact N-O 3.27Å; C26-V31 PolarHBondContact O-N 2.77Å; C29-V31 VanDerWaalsContact C-N 3.29Å; C29-V31 PolarHBondContact O-N 2.96Å; V31-F33 HydrophobicContact CB-CZ 4.29Å; V31-F33 HydrophobicContact CG1-CD1 4.38Å; V31-F33 HydrophobicContact CG1-CE1 3.83Å; V31-F33 HydrophobicContact CG1-CE2 4.37Å; V31-F33 HydrophobicContact CG1-CZ 3.81Å; V31-W47 HydrophobicContact CB-CH2 4.21Å; V31-W47 HydrophobicContact CG2-CH2 3.6Å; V31-W47 HydrophobicContact CG2-CZ2 4.43Å; V31-W47 HydrophobicContact CG2-CZ3 4.47Å |
| 32 | A | 82.5 | Confident | 80.3 | Confident | 70 Ų | 70 | 72 Ų | 72 | 58% | 0.579 | 40% | 0.398 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 141.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | Y24 T25 | Y24-A32 CarbonylContact O-C 3.57Å; T25-A32 HydrophobicContact CG2-CB 3.84Å |
| 33 | F | 84.1 | Confident | 81.4 | Confident | 31 Ų | 31 | 73.7 Ų | 73.7 | 14% | 0.136 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 146.2 | -179.6 | -56 | -74.3 | 0 | 0 | 0 | 109.2 | Y24 C26 V31 V38 Q39 H42 | Y24-F33 PolarHBondContact N-O 2.9Å; Y24-F33 PolarHBondContact O-N 3.09Å; C26-F33 HydrophobicContact CB-CE2 3.96Å; V31-F33 HydrophobicContact CB-CZ 4.29Å; V31-F33 HydrophobicContact CG1-CD1 4.38Å; V31-F33 HydrophobicContact CG1-CE1 3.83Å; V31-F33 HydrophobicContact CG1-CE2 4.37Å; V31-F33 HydrophobicContact CG1-CZ 3.81Å; F33-V38 HydrophobicContact CB-CB 4.41Å; F33-V38 HydrophobicContact CB-CG1 4.4Å; F33-V38 HydrophobicContact CD1-CB 4.4Å; F33-V38 HydrophobicContact CD1-CG1 3.57Å; F33-V38 HydrophobicContact CE1-CG1 4.2Å; F33-V38 HydrophobicContact CG-CG1 4.24Å; F33-Q39 HydrophobicContact CD2-CB 3.91Å; F33-Q39 HydrophobicContact CD2-CG 3.93Å; F33-Q39 HydrophobicContact CE2-CG 4.31Å; F33-Q39 HydrophobicContact CG-CB 4.41Å; F33-H42 HydrophobicContact CE1-CB 4.09Å; F33-H42 HydrophobicContact CE2-CB 4.02Å; F33-H42 AromaticContact CE2-CD2 3.71Å; F33-H42 AromaticContact CE2-CG 3.86Å; F33-H42 HydrophobicContact CZ-CB 3.54Å; F33-H42 AromaticContact CZ-CD2 3.6Å; F33-H42 AromaticContact CZ-CG 3.34Å; F33-H42 AromaticContact CZ-ND1 3.85Å |
| 34 | A | 77.5 | Confident | 82.2 | Confident | 81 Ų | 81 | 76.8 Ų | 76.8 | 67% | 0.669 | 40% | 0.395 | S | S | * | . | S | Bend | trans | -70.1 | -38.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||
| 35 | D | 83 | Confident | 82.4 | Confident | 96 Ų | 96 | 75.2 Ų | 75.2 | 51% | 0.513 | 40% | 0.395 | S | S | . | . | S | Bend | trans | -124.3 | 148.4 | -173.6 | -59.7 | -54.9 | 0 | 0 | 0 | 112.8 | Y24 E37 V38 Q39 | Y24-D35 VanDerWaalsContact CD2-C 3.45Å; D35-E37 VanDerWaalsContact C-N 3.27Å; D35-E37 PolarHBondContact O-N 3.21Å; D35-V38 HydrophobicContact CB-CG2 4.15Å; D35-V38 PolarHBondContact O-N 3.29Å; D35-Q39 PolarHBondContact O-N 2.84Å |
| 36 | G | 79.9 | Confident | 82.2 | Confident | 15 Ų | 15 | 76.8 Ų | 76.8 | 16% | 0.155 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -68.4 | -25.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y24 Q39 R40 | Y24-G36 VanDerWaalsContact CE2-N 3.3Å; G36-Q39 PolarHBondContact O-N 3.08Å; G36-R40 WeakPolarHBondContact O-CG 3.32Å; G36-R40 PolarHBondContact O-N 2.97Å |
| 37 | E | 81.6 | Confident | 82.3 | Confident | 138 Ų | 138 | 78.2 Ų | 78.2 | 65% | 0.645 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -66.9 | -42.3 | 172.9 | -74.8 | 178 | -173 | 0 | 0 | 112.1 | D35 Q39 R40 A41 | D35-E37 VanDerWaalsContact C-N 3.27Å; D35-E37 PolarHBondContact O-N 3.21Å; E37-Q39 VanDerWaalsContact C-N 3.29Å; E37-Q39 PolarHBondContact O-N 3.22Å; E37-R40 PolarHBondContact O-N 2.91Å; E37-A41 PolarHBondContact O-N 3.39Å |
| 38 | V | 82.8 | Confident | 82.4 | Confident | 71 Ų | 71 | 72.4 Ų | 72.4 | 43% | 0.43 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -65.7 | -35.8 | 176 | -177.2 | 0 | 0 | 0 | 0 | 110.6 | F33 D35 A41 H42 | F33-V38 HydrophobicContact CB-CB 4.41Å; F33-V38 HydrophobicContact CB-CG1 4.4Å; F33-V38 HydrophobicContact CD1-CB 4.4Å; F33-V38 HydrophobicContact CD1-CG1 3.57Å; F33-V38 HydrophobicContact CE1-CG1 4.2Å; F33-V38 HydrophobicContact CG-CG1 4.24Å; D35-V38 HydrophobicContact CB-CG2 4.15Å; D35-V38 PolarHBondContact O-N 3.29Å; V38-A41 PolarHBondContact O-N 2.98Å; V38-H42 WeakPolarHBondContact O-CB 3.42Å; V38-H42 PolarHBondContact O-N 3.02Å |
| 39 | Q | 81.6 | Confident | 82.8 | Confident | 35 Ų | 35 | 78.1 Ų | 78.1 | 16% | 0.164 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -64.9 | -42.8 | 173.5 | -167 | -165.5 | 37.8 | 0 | 0 | 112.1 | T25 F33 D35 G36 E37 H42 Y43 | T25-Q39 PolarHBondContact O-NE2 3.08Å; F33-Q39 HydrophobicContact CD2-CB 3.91Å; F33-Q39 HydrophobicContact CD2-CG 3.93Å; F33-Q39 HydrophobicContact CE2-CG 4.31Å; F33-Q39 HydrophobicContact CG-CB 4.41Å; D35-Q39 PolarHBondContact O-N 2.84Å; G36-Q39 PolarHBondContact O-N 3.08Å; E37-Q39 VanDerWaalsContact C-N 3.29Å; E37-Q39 PolarHBondContact O-N 3.22Å; Q39-H42 WeakPolarHBondContact O-CB 3.19Å; Q39-H42 PolarHBondContact O-N 3Å; Q39-Y43 HydrophobicContact CG-CD2 4.37Å; Q39-Y43 HydrophobicContact CG-CE2 3.77Å; Q39-Y43 WeakPolarHBondContact O-CD2 3.37Å; Q39-Y43 PolarHBondContact O-N 3.43Å; Q39-Y43 VanDerWaalsContact O-N 3.16Å |
| 40 | R | 84.3 | Confident | 82.9 | Confident | 159 Ų | 159 | 81.2 Ų | 81.2 | 60% | 0.6 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -64.5 | -42 | 175.7 | -74.4 | -174 | -71.8 | 174.8 | -0.9 | 112 | G36 E37 H42 Y43 | G36-R40 WeakPolarHBondContact O-CG 3.32Å; G36-R40 PolarHBondContact O-N 2.97Å; E37-R40 PolarHBondContact O-N 2.91Å; R40-H42 VanDerWaalsContact C-N 3.33Å; R40-Y43 PolarHBondContact O-N 3.17Å |
| 41 | A | 84.1 | Confident | 82.9 | Confident | 55 Ų | 55 | 71.7 Ų | 71.7 | 46% | 0.455 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -61.7 | -42.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | E37 V38 Y43 K44 T45 | E37-A41 PolarHBondContact O-N 3.39Å; V38-A41 PolarHBondContact O-N 2.98Å; A41-Y43 PolarHBondContact O-N 2.95Å; A41-K44 PolarHBondContact O-N 3.21Å; A41-K44 VanDerWaalsContact O-N 3.07Å; A41-T45 WeakPolarHBondContact O-CG2 3.39Å; A41-T45 PolarHBondContact O-N 3.43Å |
| 42 | H | 86.8 | Confident | 83 | Confident | 10 Ų | 10 | 72.7 Ų | 72.7 | 5% | 0.046 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -57.4 | -42.9 | 176.7 | 169.7 | 64.2 | 0 | 0 | 0 | 112.9 | C26 C29 F33 V38 Q39 R40 K44 T45 W47 H48 | C26-H42 PolarHBondContact SG-NE2 3.4Å; C29-H42 PolarHBondContact SG-CE1 2.8Å; C29-H42 PolarHBondContact SG-NE2 3.07Å; F33-H42 HydrophobicContact CE1-CB 4.09Å; F33-H42 HydrophobicContact CE2-CB 4.02Å; F33-H42 AromaticContact CE2-CD2 3.71Å; F33-H42 AromaticContact CE2-CG 3.86Å; F33-H42 HydrophobicContact CZ-CB 3.54Å; F33-H42 AromaticContact CZ-CD2 3.6Å; F33-H42 AromaticContact CZ-CG 3.34Å; F33-H42 AromaticContact CZ-ND1 3.85Å; V38-H42 WeakPolarHBondContact O-CB 3.42Å; V38-H42 PolarHBondContact O-N 3.02Å; Q39-H42 WeakPolarHBondContact O-CB 3.19Å; Q39-H42 PolarHBondContact O-N 3Å; R40-H42 VanDerWaalsContact C-N 3.33Å; H42-K44 PolarHBondContact O-N 2.92Å; H42-K44 VanDerWaalsContact O-N 3.16Å; H42-T45 WeakPolarHBondContact O-CB 3.3Å; H42-T45 PolarHBondContact O-N 3.44Å; H42-T45 PolarHBondContact O-OG1 2.87Å; H42-W47 AromaticContact CE1-CE3 3.23Å; H42-W47 AromaticContact CE1-CZ3 3.11Å; H42-W47 WeakPolarHBondContact CE1-CZ3 3.38Å; H42-W47 AromaticContact ND1-CE3 3.48Å; H42-W47 AromaticContact ND1-CZ3 3.46Å; H42-W47 WeakPolarHBondContact ND1-CZ3 3.45Å; H42-H48 AromaticContact CD2-ND1 3.63Å; H42-H48 AromaticContact CE1-ND1 3.81Å; H42-H48 AromaticContact NE2-CG 3.75Å; H42-H48 AromaticContact NE2-ND1 3.04Å; H42-H48 PolarHBondContact NE2-ND1 2.96Å; H42-H48 WeakPolarHBondContact O-CB 3.37Å |
| 43 | Y | 83.9 | Confident | 82.8 | Confident | 107 Ų | 107 | 77 Ų | 77 | 42% | 0.42 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -59.9 | -25.7 | 177.8 | -75.7 | -62.6 | 0 | 0 | 0 | 113.7 | Q39 R40 A41 H48 | Q39-Y43 HydrophobicContact CG-CD2 4.37Å; Q39-Y43 HydrophobicContact CG-CE2 3.77Å; Q39-Y43 WeakPolarHBondContact O-CD2 3.37Å; Q39-Y43 PolarHBondContact O-N 3.43Å; Q39-Y43 VanDerWaalsContact O-N 3.16Å; R40-Y43 PolarHBondContact O-N 3.17Å; A41-Y43 PolarHBondContact O-N 2.95Å; Y43-H48 AromaticContact CD1-CD2 3.78Å; Y43-H48 AromaticContact CD1-CE1 3.32Å; Y43-H48 WeakPolarHBondContact CD1-CE1 3.37Å; Y43-H48 AromaticContact CD1-ND1 3.79Å; Y43-H48 AromaticContact CD1-NE2 3.32Å; Y43-H48 VanDerWaalsContact CD1-NE2 3.32Å; Y43-H48 WeakPolarHBondContact CD1-NE2 3.4Å; Y43-H48 AromaticContact CE1-CE1 3.34Å; Y43-H48 WeakPolarHBondContact CE1-CE1 3.49Å; Y43-H48 AromaticContact CE1-NE2 3.68Å |
| 44 | K | 86 | Confident | 82.8 | Confident | 164 Ų | 164 | 77.8 Ų | 77.8 | 71% | 0.713 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -84.1 | -15.9 | 176.6 | -62.1 | -179.3 | -179 | -177.7 | 0 | 113.3 | A41 H42 | A41-K44 PolarHBondContact O-N 3.21Å; A41-K44 VanDerWaalsContact O-N 3.07Å; H42-K44 PolarHBondContact O-N 2.92Å; H42-K44 VanDerWaalsContact O-N 3.16Å |
| 45 | T | 85.6 | Confident | 82.9 | Confident | 56 Ų | 56 | 78.9 Ų | 78.9 | 34% | 0.344 | 37% | 0.37 | S | S | . | . | S | Bend | trans | -72.4 | 147.5 | -178 | 65.5 | 0 | 0 | 0 | 0 | 113.1 | A41 H42 W47 H48 R49 | A41-T45 WeakPolarHBondContact O-CG2 3.39Å; A41-T45 PolarHBondContact O-N 3.43Å; H42-T45 WeakPolarHBondContact O-CB 3.3Å; H42-T45 PolarHBondContact O-N 3.44Å; H42-T45 PolarHBondContact O-OG1 2.87Å; T45-W47 PolarHBondContact O-N 3.44Å; T45-H48 PolarHBondContact O-N 3.08Å; T45-H48 VanDerWaalsContact O-N 3.13Å; T45-H48 PolarHBondContact OG1-N 3.47Å; T45-R49 PolarHBondContact O-N 3.48Å |
| 46 | D | 80.4 | Confident | 82.9 | Confident | 105 Ų | 105 | 80 Ų | 80 | 56% | 0.561 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -63.6 | -26.4 | 176.6 | -67.7 | -34.3 | 0 | 0 | 0 | 112.9 | R49 Y50 F67 | D46-R49 PolarHBondContact O-N 3.44Å; D46-R49 IonicContact OD1-NH1 2.84Å; D46-Y50 WeakPolarHBondContact O-CB 3.27Å; D46-Y50 PolarHBondContact O-N 2.98Å; D46-F67 HydrophobicContact CB-CE1 4.49Å; D46-F67 HydrophobicContact CB-CZ 4.04Å |
| 47 | W | 84.6 | Confident | 82.9 | Confident | 32 Ų | 32 | 82 Ų | 82 | 12% | 0.121 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -63.4 | -43.1 | 173.5 | 178.2 | 55.2 | 0 | 0 | 0 | 112.1 | C29 V31 H42 T45 Y50 N51 V62 A64 F67 | C29-W47 HydrophobicContact CB-CH2 3.58Å; C29-W47 HydrophobicContact CB-CZ2 3.92Å; C29-W47 HydrophobicContact CB-CZ3 4.09Å; V31-W47 HydrophobicContact CB-CH2 4.21Å; V31-W47 HydrophobicContact CG2-CH2 3.6Å; V31-W47 HydrophobicContact CG2-CZ2 4.43Å; V31-W47 HydrophobicContact CG2-CZ3 4.47Å; H42-W47 AromaticContact CE1-CE3 3.23Å; H42-W47 AromaticContact CE1-CZ3 3.11Å; H42-W47 WeakPolarHBondContact CE1-CZ3 3.38Å; H42-W47 AromaticContact ND1-CE3 3.48Å; H42-W47 AromaticContact ND1-CZ3 3.46Å; H42-W47 WeakPolarHBondContact ND1-CZ3 3.45Å; T45-W47 PolarHBondContact O-N 3.44Å; W47-Y50 PolarHBondContact O-N 3.36Å; W47-N51 PolarHBondContact NE1-ND2 3.19Å; W47-N51 VanDerWaalsContact NE1-ND2 3.15Å; W47-N51 PolarHBondContact O-N 3.4Å; W47-V62 PolarHBondContact NE1-O 3.37Å; W47-A64 HydrophobicContact CD2-CB 4.37Å; W47-A64 HydrophobicContact CZ2-CB 4.16Å; W47-F67 HydrophobicContact CB-CD1 3.72Å; W47-F67 HydrophobicContact CB-CE1 3.79Å; W47-F67 HydrophobicContact CB-CG 4.29Å; W47-F67 HydrophobicContact CB-CZ 4.41Å; W47-F67 AromaticContact CD1-CD1 3.82Å; W47-F67 AromaticContact CD1-CG 3.58Å; W47-F67 HydrophobicContact CG-CB 4.5Å; W47-F67 HydrophobicContact CG-CD1 4.08Å; W47-F67 HydrophobicContact CG-CG 4.29Å |
| 48 | H | 83.1 | Confident | 82.6 | Confident | 12 Ų | 12 | 82.9 Ų | 82.9 | 6% | 0.056 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -63.7 | -47.6 | 175.1 | -177 | 81 | 0 | 0 | 0 | 111.6 | C26 H42 Y43 T45 Y50 N51 L52 | C26-H48 PolarHBondContact SG-CE1 2.93Å; C26-H48 PolarHBondContact SG-ND1 3.05Å; H42-H48 AromaticContact CD2-ND1 3.63Å; H42-H48 AromaticContact CE1-ND1 3.81Å; H42-H48 AromaticContact NE2-CG 3.75Å; H42-H48 AromaticContact NE2-ND1 3.04Å; H42-H48 PolarHBondContact NE2-ND1 2.96Å; H42-H48 WeakPolarHBondContact O-CB 3.37Å; Y43-H48 AromaticContact CD1-CD2 3.78Å; Y43-H48 AromaticContact CD1-CE1 3.32Å; Y43-H48 WeakPolarHBondContact CD1-CE1 3.37Å; Y43-H48 AromaticContact CD1-ND1 3.79Å; Y43-H48 AromaticContact CD1-NE2 3.32Å; Y43-H48 VanDerWaalsContact CD1-NE2 3.32Å; Y43-H48 WeakPolarHBondContact CD1-NE2 3.4Å; Y43-H48 AromaticContact CE1-CE1 3.34Å; Y43-H48 WeakPolarHBondContact CE1-CE1 3.49Å; Y43-H48 AromaticContact CE1-NE2 3.68Å; T45-H48 PolarHBondContact O-N 3.08Å; T45-H48 VanDerWaalsContact O-N 3.13Å; T45-H48 PolarHBondContact OG1-N 3.47Å; H48-Y50 VanDerWaalsContact C-N 3.29Å; H48-Y50 PolarHBondContact O-N 3.43Å; H48-N51 PolarHBondContact O-N 2.94Å; H48-L52 VanDerWaalsContact O-CB 3.32Å; H48-L52 WeakPolarHBondContact O-CB 3.31Å; H48-L52 PolarHBondContact O-N 3.26Å |
| 49 | R | 85.3 | Confident | 82.1 | Confident | 139 Ų | 139 | 84 Ų | 84 | 53% | 0.525 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -60.6 | -39.2 | 178.6 | -67.2 | 172.8 | 171.2 | -178.9 | -4.9 | 111.9 | T45 D46 K53 | T45-R49 PolarHBondContact O-N 3.48Å; D46-R49 PolarHBondContact O-N 3.44Å; D46-R49 IonicContact OD1-NH1 2.84Å; R49-K53 WeakPolarHBondContact O-CG 3.39Å; R49-K53 PolarHBondContact O-N 3.06Å; R49-K53 VanDerWaalsContact O-N 3.09Å |
| 50 | Y | 80.6 | Confident | 81.9 | Confident | 75 Ų | 75 | 86.8 Ų | 86.8 | 29% | 0.294 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -66.1 | -47.4 | 177.2 | -177 | -103.3 | 0 | 0 | 0 | 112.2 | D46 W47 H48 L52 K53 R54 V62 F67 | D46-Y50 WeakPolarHBondContact O-CB 3.27Å; D46-Y50 PolarHBondContact O-N 2.98Å; W47-Y50 PolarHBondContact O-N 3.36Å; H48-Y50 VanDerWaalsContact C-N 3.29Å; H48-Y50 PolarHBondContact O-N 3.43Å; Y50-L52 VanDerWaalsContact C-N 3.34Å; Y50-L52 PolarHBondContact O-N 2.89Å; Y50-K53 PolarHBondContact O-N 3.44Å; Y50-R54 VanDerWaalsContact CE1-CD 3.46Å; Y50-R54 HydrophobicContact CE1-CG 4.4Å; Y50-R54 WeakPolarHBondContact O-CG 3.5Å; Y50-R54 PolarHBondContact O-N 2.95Å; Y50-R54 VanDerWaalsContact O-N 3.1Å; Y50-R54 PolarHBondContact OH-NH1 2.9Å; Y50-V62 HydrophobicContact CE1-CB 4.29Å; Y50-V62 HydrophobicContact CE1-CG2 4.06Å; Y50-F67 AromaticContact CD1-CD2 3.67Å; Y50-F67 HydrophobicContact CD1-CD2 3.67Å; Y50-F67 AromaticContact CD1-CE2 3.92Å; Y50-F67 HydrophobicContact CD1-CE2 3.92Å; Y50-F67 HydrophobicContact CD2-CE2 4.23Å; Y50-F67 HydrophobicContact CE1-CD2 4.2Å; Y50-F67 AromaticContact CG-CD2 3.94Å; Y50-F67 HydrophobicContact CG-CD2 3.94Å; Y50-F67 AromaticContact CG-CE2 3.68Å; Y50-F67 HydrophobicContact CG-CE2 3.68Å |
| 51 | N | 82.1 | Confident | 81.6 | Confident | 1 Ų | 1 | 81.4 Ų | 81.4 | 1% | 0.005 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -67.8 | -33 | 177.1 | -82.4 | -19.9 | 0 | 0 | 0 | 112.9 | W47 H48 R54 K55 V62 | W47-N51 PolarHBondContact NE1-ND2 3.19Å; W47-N51 VanDerWaalsContact NE1-ND2 3.15Å; W47-N51 PolarHBondContact O-N 3.4Å; H48-N51 PolarHBondContact O-N 2.94Å; N51-R54 PolarHBondContact O-N 3.1Å; N51-K55 WeakPolarHBondContact O-CB 3.37Å; N51-K55 PolarHBondContact O-N 3.33Å; N51-V62 PolarHBondContact ND2-O 2.91Å; N51-V62 PolarHBondContact OD1-N 3.47Å; N51-V62 PolarHBondContact OD1-O 3.47Å |
| 52 | L | 82.8 | Confident | 81.6 | Confident | 75 Ų | 75 | 79.4 Ų | 79.4 | 39% | 0.393 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -62.7 | -46.2 | 173.1 | -174.3 | 65.2 | 0 | 0 | 0 | 111.5 | H48 Y50 R54 K55 V56 | H48-L52 VanDerWaalsContact O-CB 3.32Å; H48-L52 WeakPolarHBondContact O-CB 3.31Å; H48-L52 PolarHBondContact O-N 3.26Å; Y50-L52 VanDerWaalsContact C-N 3.34Å; Y50-L52 PolarHBondContact O-N 2.89Å; L52-R54 VanDerWaalsContact C-N 3.3Å; L52-R54 PolarHBondContact O-N 3.29Å; L52-K55 WeakPolarHBondContact O-CB 3.36Å; L52-K55 PolarHBondContact O-N 3.05Å; L52-V56 WeakPolarHBondContact O-CG2 3.37Å; L52-V56 PolarHBondContact O-N 3.46Å |
| 53 | K | 79.9 | Confident | 81.4 | Confident | 160 Ų | 160 | 82.6 Ų | 82.6 | 70% | 0.696 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -60.9 | -37.5 | 174.9 | -75.2 | 178.5 | -179.1 | 179.9 | 0 | 112.6 | R49 Y50 A57 | R49-K53 WeakPolarHBondContact O-CG 3.39Å; R49-K53 PolarHBondContact O-N 3.06Å; R49-K53 VanDerWaalsContact O-N 3.09Å; Y50-K53 PolarHBondContact O-N 3.44Å; K53-A57 PolarHBondContact O-N 3.37Å |
| 54 | R | 82.9 | Confident | 81.1 | Confident | 48 Ų | 48 | 79.5 Ų | 79.5 | 18% | 0.181 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -68 | -38.5 | 175.1 | -70.8 | -179.3 | 66.7 | 113.9 | 0.9 | 112.4 | Y50 N51 L52 A57 D58 M59 P60 | Y50-R54 VanDerWaalsContact CE1-CD 3.46Å; Y50-R54 HydrophobicContact CE1-CG 4.4Å; Y50-R54 WeakPolarHBondContact O-CG 3.5Å; Y50-R54 PolarHBondContact O-N 2.95Å; Y50-R54 VanDerWaalsContact O-N 3.1Å; Y50-R54 PolarHBondContact OH-NH1 2.9Å; N51-R54 PolarHBondContact O-N 3.1Å; L52-R54 VanDerWaalsContact C-N 3.3Å; L52-R54 PolarHBondContact O-N 3.29Å; R54-A57 CarbonylContact O-C 3.42Å; R54-A57 PolarHBondContact O-N 2.95Å; R54-A57 VanDerWaalsContact O-N 3.14Å; R54-D58 PolarHBondContact O-N 3.13Å; R54-M59 HydrophobicContact CB-CB 4.19Å; R54-M59 PolarHBondContact O-N 3.06Å; R54-P60 PolarHBondContact NE-O 3.05Å; R54-P60 PolarHBondContact NH2-O 3.48Å |
| 55 | K | 79.3 | Confident | 80.8 | Confident | 103 Ų | 103 | 79 Ų | 79 | 45% | 0.448 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -64.5 | -40 | 175.3 | -171.5 | -177.6 | -178.4 | -173.4 | 0 | 112.2 | S28 N51 L52 A57 D58 | S28-K55 PolarHBondContact OG-NZ 3.08Å; N51-K55 WeakPolarHBondContact O-CB 3.37Å; N51-K55 PolarHBondContact O-N 3.33Å; L52-K55 WeakPolarHBondContact O-CB 3.36Å; L52-K55 PolarHBondContact O-N 3.05Å; K55-A57 PolarHBondContact O-N 2.9Å; K55-D58 PolarHBondContact O-N 3.12Å |
| 56 | V | 82.6 | Confident | 80.5 | Confident | 120 Ų | 120 | 79.9 Ų | 79.9 | 73% | 0.727 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -64.7 | -25.9 | 173.8 | 173 | 0 | 0 | 0 | 0 | 111.9 | L52 | L52-V56 WeakPolarHBondContact O-CG2 3.37Å; L52-V56 PolarHBondContact O-N 3.46Å |
| 57 | A | 80.1 | Confident | 80.5 | Confident | 56 Ų | 56 | 76.6 Ų | 76.6 | 46% | 0.463 | 40% | 0.395 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.6 | 18 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | K53 R54 K55 M59 | K53-A57 PolarHBondContact O-N 3.37Å; R54-A57 CarbonylContact O-C 3.42Å; R54-A57 PolarHBondContact O-N 2.95Å; R54-A57 VanDerWaalsContact O-N 3.14Å; K55-A57 PolarHBondContact O-N 2.9Å; A57-M59 HydrophobicContact CB-CE 3.6Å; A57-M59 PolarHBondContact O-N 3.28Å; A57-M59 VanDerWaalsContact O-N 3.07Å |
| 58 | D | 75.6 | Confident | 80.3 | Confident | 158 Ų | 158 | 80.9 Ų | 80.9 | 85% | 0.845 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.6 | 25 | -178.8 | -66.5 | -39.1 | 0 | 0 | 0 | 115.3 | R54 K55 | R54-D58 PolarHBondContact O-N 3.13Å; K55-D58 PolarHBondContact O-N 3.12Å |
| 59 | M | 72.6 | Confident | 80.2 | Confident | 93 Ų | 93 | 86.7 Ų | 86.7 | 46% | 0.458 | 44% | 0.444 | S | S | . | . | P | Polyproline II helix | trans | -96.4 | 144.8 | 178 | -73.9 | -173.6 | -81.5 | 0 | 0 | 112 | R54 A57 | R54-M59 HydrophobicContact CB-CB 4.19Å; R54-M59 PolarHBondContact O-N 3.06Å; A57-M59 HydrophobicContact CB-CE 3.6Å; A57-M59 PolarHBondContact O-N 3.28Å; A57-M59 VanDerWaalsContact O-N 3.07Å |
| 60 | P | 77.9 | Confident | 79.8 | Confident | 95 Ų | 95 | 87 Ų | 87 | 62% | 0.617 | 45% | 0.445 | S | S | * | . | P | Polyproline II helix | trans | -56.4 | 142.1 | 176.7 | -25.4 | 33.5 | 0 | 0 | 0 | 112.8 | R54 | R54-P60 PolarHBondContact NE-O 3.05Å; R54-P60 PolarHBondContact NH2-O 3.48Å |
| 61 | P | 78.4 | Confident | 79.9 | Confident | 45 Ų | 45 | 85.1 Ų | 85.1 | 29% | 0.292 | 44% | 0.441 | S | S | . | . | P | Polyproline II helix | trans | -69.4 | 147.2 | 178.1 | 29.3 | -34 | 0 | 0 | 0 | 111.1 | ||
| 62 | V | 82.5 | Confident | 79.8 | Confident | 14 Ų | 14 | 90.5 Ų | 90.5 | 9% | 0.085 | 47% | 0.47 | C | S | . | . | P | Polyproline II helix | trans | -99.3 | 135.6 | -177.7 | 179.7 | 0 | 0 | 0 | 0 | 109.6 | W47 Y50 N51 N66 | W47-V62 PolarHBondContact NE1-O 3.37Å; Y50-V62 HydrophobicContact CE1-CB 4.29Å; Y50-V62 HydrophobicContact CE1-CG2 4.06Å; N51-V62 PolarHBondContact ND2-O 2.91Å; N51-V62 PolarHBondContact OD1-N 3.47Å; N51-V62 PolarHBondContact OD1-O 3.47Å; V62-N66 HydrophobicContact CG1-CB 3.52Å |
| 63 | T | 82.7 | Confident | 79.7 | Confident | 76 Ų | 76 | 89.9 Ų | 89.9 | 47% | 0.466 | 48% | 0.475 | S | S | . | . | P | Polyproline II helix | trans | -64.1 | 156.6 | 176.2 | 56.4 | 0 | 0 | 0 | 0 | 111.4 | E65 N66 F67 | T63-E65 VanDerWaalsContact C-N 3.3Å; T63-E65 PolarHBondContact O-N 3.33Å; T63-N66 PolarHBondContact O-N 3.34Å; T63-N66 WeakPolarHBondContact OG1-CB 3.33Å; T63-N66 PolarHBondContact OG1-ND2 3.33Å; T63-F67 PolarHBondContact O-N 3.46Å; T63-F67 VanDerWaalsContact O-N 3.13Å |
| 64 | A | 78.4 | Confident | 79.5 | Confident | 43 Ų | 43 | 88.8 Ų | 88.8 | 36% | 0.355 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -59.7 | -40.5 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | W47 F67 Q68 | W47-A64 HydrophobicContact CD2-CB 4.37Å; W47-A64 HydrophobicContact CZ2-CB 4.16Å; A64-F67 PolarHBondContact O-N 3.34Å; A64-Q68 WeakPolarHBondContact O-CG 3.21Å; A64-Q68 PolarHBondContact O-N 3.07Å |
| 65 | E | 79.3 | Confident | 79.3 | Confident | 153 Ų | 153 | 94 Ų | 94 | 72% | 0.715 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -61.8 | -47.4 | 179.2 | -63.1 | 172.9 | 178.6 | 0 | 0 | 111.9 | T63 F67 Q68 E69 | T63-E65 VanDerWaalsContact C-N 3.3Å; T63-E65 PolarHBondContact O-N 3.33Å; E65-F67 VanDerWaalsContact C-N 3.27Å; E65-F67 PolarHBondContact O-N 2.9Å; E65-Q68 PolarHBondContact O-N 3.13Å; E65-E69 PolarHBondContact O-N 3.22Å |
| 66 | N | 78.4 | Confident | 79.3 | Confident | 75 Ų | 75 | 91 Ų | 91 | 40% | 0.401 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -66.4 | -29.3 | 178.1 | -75.7 | -25.1 | 0 | 0 | 0 | 112.7 | V62 T63 R70 | V62-N66 HydrophobicContact CG1-CB 3.52Å; T63-N66 PolarHBondContact O-N 3.34Å; T63-N66 WeakPolarHBondContact OG1-CB 3.33Å; T63-N66 PolarHBondContact OG1-ND2 3.33Å; N66-R70 WeakPolarHBondContact O-CD 3.26Å; N66-R70 WeakPolarHBondContact O-CG 3.28Å; N66-R70 PolarHBondContact O-N 3.01Å |
| 67 | F | 81.4 | Confident | 78.9 | Confident | 35 Ų | 35 | 87.2 Ų | 87.2 | 15% | 0.154 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -71.3 | -44.4 | 174.8 | 178.7 | -103.4 | 0 | 0 | 0 | 110.9 | D46 W47 Y50 T63 A64 E65 R70 V71 | D46-F67 HydrophobicContact CB-CE1 4.49Å; D46-F67 HydrophobicContact CB-CZ 4.04Å; W47-F67 HydrophobicContact CB-CD1 3.72Å; W47-F67 HydrophobicContact CB-CE1 3.79Å; W47-F67 HydrophobicContact CB-CG 4.29Å; W47-F67 HydrophobicContact CB-CZ 4.41Å; W47-F67 AromaticContact CD1-CD1 3.82Å; W47-F67 AromaticContact CD1-CG 3.58Å; W47-F67 HydrophobicContact CG-CB 4.5Å; W47-F67 HydrophobicContact CG-CD1 4.08Å; W47-F67 HydrophobicContact CG-CG 4.29Å; Y50-F67 AromaticContact CD1-CD2 3.67Å; Y50-F67 HydrophobicContact CD1-CD2 3.67Å; Y50-F67 AromaticContact CD1-CE2 3.92Å; Y50-F67 HydrophobicContact CD1-CE2 3.92Å; Y50-F67 HydrophobicContact CD2-CE2 4.23Å; Y50-F67 HydrophobicContact CE1-CD2 4.2Å; Y50-F67 AromaticContact CG-CD2 3.94Å; Y50-F67 HydrophobicContact CG-CD2 3.94Å; Y50-F67 AromaticContact CG-CE2 3.68Å; Y50-F67 HydrophobicContact CG-CE2 3.68Å; T63-F67 PolarHBondContact O-N 3.46Å; T63-F67 VanDerWaalsContact O-N 3.13Å; A64-F67 PolarHBondContact O-N 3.34Å; E65-F67 VanDerWaalsContact C-N 3.27Å; E65-F67 PolarHBondContact O-N 2.9Å; F67-R70 PolarHBondContact O-N 3.28Å; F67-V71 HydrophobicContact CD1-CG2 4.27Å; F67-V71 HydrophobicContact CE1-CG2 3.9Å; F67-V71 HydrophobicContact CE2-CG2 4.22Å; F67-V71 HydrophobicContact CZ-CG2 3.88Å; F67-V71 VanDerWaalsContact O-CG2 3.31Å; F67-V71 WeakPolarHBondContact O-CG2 3.25Å; F67-V71 PolarHBondContact O-N 2.82Å |
| 68 | Q | 79.9 | Confident | 78.4 | Confident | 123 Ų | 123 | 88 Ų | 88 | 58% | 0.575 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -61.7 | -44.3 | 176.5 | -72.8 | 174.5 | -17.7 | 0 | 0 | 111.9 | A64 E65 R70 V71 L72 | A64-Q68 WeakPolarHBondContact O-CG 3.21Å; A64-Q68 PolarHBondContact O-N 3.07Å; E65-Q68 PolarHBondContact O-N 3.13Å; Q68-R70 VanDerWaalsContact C-N 3.31Å; Q68-R70 PolarHBondContact O-N 3.27Å; Q68-V71 PolarHBondContact O-N 3.36Å; Q68-L72 WeakPolarHBondContact O-CG 3.45Å; Q68-L72 PolarHBondContact O-N 3.33Å |
| 69 | E | 81.4 | Confident | 78.1 | Confident | 133 Ų | 133 | 86.5 Ų | 86.5 | 62% | 0.621 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -59.5 | -41.4 | 176.5 | -169.1 | -178.6 | -170.8 | 0 | 0 | 111.9 | E65 L72 A73 | E65-E69 PolarHBondContact O-N 3.22Å; E69-L72 PolarHBondContact O-N 3.12Å; E69-A73 WeakPolarHBondContact O-CB 3.37Å; E69-A73 PolarHBondContact O-N 3.01Å |
| 70 | R | 76.7 | Confident | 77.7 | Confident | 145 Ų | 145 | 89.1 Ų | 89.1 | 55% | 0.547 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -66.9 | -38.9 | 176.3 | -73.6 | 170.4 | -176.6 | -102.7 | -3.4 | 112.8 | N66 F67 Q68 A73 Q74 | N66-R70 WeakPolarHBondContact O-CD 3.26Å; N66-R70 WeakPolarHBondContact O-CG 3.28Å; N66-R70 PolarHBondContact O-N 3.01Å; F67-R70 PolarHBondContact O-N 3.28Å; Q68-R70 VanDerWaalsContact C-N 3.31Å; Q68-R70 PolarHBondContact O-N 3.27Å; R70-A73 PolarHBondContact O-N 3.33Å; R70-Q74 WeakPolarHBondContact O-CB 3.44Å; R70-Q74 PolarHBondContact O-N 3.08Å |
| 71 | V | 82.8 | Confident | 76.8 | Confident | 37 Ų | 37 | 91.7 Ų | 91.7 | 22% | 0.224 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -66.5 | -42.3 | 176.5 | 171 | 0 | 0 | 0 | 0 | 110.5 | F67 Q68 Q74 R75 | F67-V71 HydrophobicContact CD1-CG2 4.27Å; F67-V71 HydrophobicContact CE1-CG2 3.9Å; F67-V71 HydrophobicContact CE2-CG2 4.22Å; F67-V71 HydrophobicContact CZ-CG2 3.88Å; F67-V71 VanDerWaalsContact O-CG2 3.31Å; F67-V71 WeakPolarHBondContact O-CG2 3.25Å; F67-V71 PolarHBondContact O-N 2.82Å; Q68-V71 PolarHBondContact O-N 3.36Å; V71-Q74 PolarHBondContact O-N 3.36Å; V71-R75 WeakPolarHBondContact O-CG 3.36Å; V71-R75 PolarHBondContact O-N 3.05Å |
| 72 | L | 79.9 | Confident | 75.9 | Confident | 114 Ų | 114 | 93.9 Ų | 93.9 | 60% | 0.597 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -64.3 | -43.5 | 175.5 | -69.8 | 173.8 | 0 | 0 | 0 | 111.6 | Q68 E69 Q74 R75 A76 | Q68-L72 WeakPolarHBondContact O-CG 3.45Å; Q68-L72 PolarHBondContact O-N 3.33Å; E69-L72 PolarHBondContact O-N 3.12Å; L72-Q74 VanDerWaalsContact C-N 3.31Å; L72-Q74 PolarHBondContact O-N 2.88Å; L72-R75 PolarHBondContact O-N 3.45Å; L72-A76 WeakPolarHBondContact O-CB 3.38Å; L72-A76 PolarHBondContact O-N 3.21Å |
| 73 | A | 80.2 | Confident | 74.7 | Confident | 61 Ų | 61 | 97.8 Ų | 97.8 | 50% | 0.504 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61.6 | -38.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | E69 R70 A77 | E69-A73 WeakPolarHBondContact O-CB 3.37Å; E69-A73 PolarHBondContact O-N 3.01Å; R70-A73 PolarHBondContact O-N 3.33Å; A73-A77 WeakPolarHBondContact O-CB 3.5Å; A73-A77 PolarHBondContact O-N 3.01Å |
| 74 | Q | 76.8 | Confident | 73.2 | Confident | 137 Ų | 137 | 96.4 Ų | 96.4 | 64% | 0.64 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -69.6 | -39.4 | 177 | -171.4 | 172.8 | 20 | 0 | 0 | 112.4 | R70 V71 L72 A77 T78 | R70-Q74 WeakPolarHBondContact O-CB 3.44Å; R70-Q74 PolarHBondContact O-N 3.08Å; V71-Q74 PolarHBondContact O-N 3.36Å; L72-Q74 VanDerWaalsContact C-N 3.31Å; L72-Q74 PolarHBondContact O-N 2.88Å; Q74-A77 PolarHBondContact O-N 3.13Å; Q74-T78 WeakPolarHBondContact O-CB 3.2Å; Q74-T78 PolarHBondContact O-N 3.28Å; Q74-T78 PolarHBondContact O-OG1 2.85Å |
| 75 | R | 78.2 | Confident | 71.9 | Confident | 157 Ų | 157 | 96.5 Ų | 96.5 | 59% | 0.592 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -64.7 | -46.9 | 174.1 | -74.4 | -180 | -177.9 | -178.6 | 0.2 | 111.3 | V71 L72 A77 T78 E79 | V71-R75 WeakPolarHBondContact O-CG 3.36Å; V71-R75 PolarHBondContact O-N 3.05Å; L72-R75 PolarHBondContact O-N 3.45Å; R75-A77 VanDerWaalsContact C-N 3.33Å; R75-A77 PolarHBondContact O-N 3.38Å; R75-T78 WeakPolarHBondContact O-CB 3.19Å; R75-T78 PolarHBondContact O-N 3.32Å; R75-E79 WeakPolarHBondContact O-CG 3.48Å; R75-E79 PolarHBondContact O-N 2.89Å |
| 76 | A | 79.1 | Confident | 70.5 | Confident | 40 Ų | 40 | 94.9 Ų | 94.9 | 33% | 0.331 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -59.8 | -41.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | L72 T78 E79 Q80 | L72-A76 WeakPolarHBondContact O-CB 3.38Å; L72-A76 PolarHBondContact O-N 3.21Å; A76-T78 VanDerWaalsContact C-N 3.31Å; A76-T78 PolarHBondContact O-N 3.13Å; A76-E79 PolarHBondContact O-N 3.04Å; A76-Q80 WeakPolarHBondContact O-CB 3.48Å; A76-Q80 VanDerWaalsContact O-CG 3.29Å; A76-Q80 WeakPolarHBondContact O-CG 3.45Å; A76-Q80 PolarHBondContact O-N 3.22Å |
| 77 | A | 74.5 | Confident | 69.3 | Low | 41 Ų | 41 | 95.7 Ų | 95.7 | 34% | 0.339 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -65 | -34.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | A73 Q74 R75 Q81 | A73-A77 WeakPolarHBondContact O-CB 3.5Å; A73-A77 PolarHBondContact O-N 3.01Å; Q74-A77 PolarHBondContact O-N 3.13Å; R75-A77 VanDerWaalsContact C-N 3.33Å; R75-A77 PolarHBondContact O-N 3.38Å; A77-Q81 WeakPolarHBondContact O-CG 3.5Å; A77-Q81 PolarHBondContact O-N 3.09Å |
| 78 | T | 69.5 | Low | 68.2 | Low | 72 Ų | 72 | 98.5 Ų | 98.5 | 44% | 0.442 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -74.1 | -41.6 | 177.7 | -52.3 | 0 | 0 | 0 | 0 | 111.1 | Q74 R75 A76 Q80 Q81 V82 | Q74-T78 WeakPolarHBondContact O-CB 3.2Å; Q74-T78 PolarHBondContact O-N 3.28Å; Q74-T78 PolarHBondContact O-OG1 2.85Å; R75-T78 WeakPolarHBondContact O-CB 3.19Å; R75-T78 PolarHBondContact O-N 3.32Å; A76-T78 VanDerWaalsContact C-N 3.31Å; A76-T78 PolarHBondContact O-N 3.13Å; T78-Q80 VanDerWaalsContact C-N 3.33Å; T78-Q80 PolarHBondContact O-N 3.4Å; T78-Q81 WeakPolarHBondContact O-CB 3.36Å; T78-Q81 PolarHBondContact O-N 3.38Å; T78-Q81 VanDerWaalsContact O-N 3.08Å; T78-V82 WeakPolarHBondContact O-CG2 3.45Å; T78-V82 PolarHBondContact O-N 3.14Å |
| 79 | E | 70.1 | Confident | 67.6 | Low | 128 Ų | 128 | 96.4 Ų | 96.4 | 60% | 0.598 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -63.1 | -37.2 | 175.5 | -74.7 | 171.4 | -173.7 | 0 | 0 | 112.2 | R75 A76 Q81 V82 T83 | R75-E79 WeakPolarHBondContact O-CG 3.48Å; R75-E79 PolarHBondContact O-N 2.89Å; A76-E79 PolarHBondContact O-N 3.04Å; E79-Q81 VanDerWaalsContact C-N 3.31Å; E79-Q81 PolarHBondContact O-N 2.97Å; E79-V82 PolarHBondContact O-N 3.17Å; E79-T83 WeakPolarHBondContact O-CB 3.4Å; E79-T83 WeakPolarHBondContact O-CG2 3.47Å; E79-T83 PolarHBondContact O-N 3.34Å; E79-T83 PolarHBondContact O-OG1 3.4Å |
| 80 | Q | 64 | Low | 67.3 | Low | 147 Ų | 147 | 92 Ų | 92 | 69% | 0.687 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -65.1 | -32.4 | 172.1 | -73.6 | 175.5 | 2.9 | 0 | 0 | 112.7 | A76 T78 T83 G84 | A76-Q80 WeakPolarHBondContact O-CB 3.48Å; A76-Q80 VanDerWaalsContact O-CG 3.29Å; A76-Q80 WeakPolarHBondContact O-CG 3.45Å; A76-Q80 PolarHBondContact O-N 3.22Å; T78-Q80 VanDerWaalsContact C-N 3.33Å; T78-Q80 PolarHBondContact O-N 3.4Å; Q80-T83 WeakPolarHBondContact CA-OG1 3.47Å; Q80-T83 PolarHBondContact O-OG1 3.07Å; Q80-G84 PolarHBondContact O-N 2.97Å |
| 81 | Q | 59.3 | Low | 67.6 | Low | 149 Ų | 149 | 85.2 Ų | 85.2 | 70% | 0.696 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -75.4 | -32.8 | 174.4 | -70.8 | 175.6 | 22.8 | 0 | 0 | 112.6 | A77 T78 E79 | A77-Q81 WeakPolarHBondContact O-CG 3.5Å; A77-Q81 PolarHBondContact O-N 3.09Å; T78-Q81 WeakPolarHBondContact O-CB 3.36Å; T78-Q81 PolarHBondContact O-N 3.38Å; T78-Q81 VanDerWaalsContact O-N 3.08Å; E79-Q81 VanDerWaalsContact C-N 3.31Å; E79-Q81 PolarHBondContact O-N 2.97Å |
| 82 | V | 58.8 | Low | 67.3 | Low | 92 Ų | 92 | 89.2 Ų | 89.2 | 56% | 0.558 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -75.3 | -37.9 | 178.4 | 173.8 | 0 | 0 | 0 | 0 | 111.6 | T78 E79 G84 A85 | T78-V82 WeakPolarHBondContact O-CG2 3.45Å; T78-V82 PolarHBondContact O-N 3.14Å; E79-V82 PolarHBondContact O-N 3.17Å; V82-G84 VanDerWaalsContact C-N 3.3Å; V82-G84 PolarHBondContact O-N 3.47Å; V82-A85 WeakPolarHBondContact O-CB 3.48Å; V82-A85 PolarHBondContact O-N 2.9Å; V82-A85 VanDerWaalsContact O-N 3.13Å |
| 83 | T | 57.7 | Low | 67.1 | Low | 96 Ų | 96 | 87.3 Ų | 87.3 | 59% | 0.589 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -69.9 | -23.5 | 177.5 | 48.6 | 0 | 0 | 0 | 0 | 113.4 | E79 Q80 A85 T86 | E79-T83 WeakPolarHBondContact O-CB 3.4Å; E79-T83 WeakPolarHBondContact O-CG2 3.47Å; E79-T83 PolarHBondContact O-N 3.34Å; E79-T83 PolarHBondContact O-OG1 3.4Å; Q80-T83 WeakPolarHBondContact CA-OG1 3.47Å; Q80-T83 PolarHBondContact O-OG1 3.07Å; T83-A85 VanDerWaalsContact C-N 3.32Å; T83-T86 PolarHBondContact O-OG1 3.39Å |
| 84 | G | 51 | Low | 67 | Low | 47 Ų | 47 | 86.1 Ų | 86.1 | 49% | 0.485 | 50% | 0.5 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.5 | -9.3 | 170.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | Q80 V82 | Q80-G84 PolarHBondContact O-N 2.97Å; V82-G84 VanDerWaalsContact C-N 3.3Å; V82-G84 PolarHBondContact O-N 3.47Å |
| 85 | A | 49.9 | Very low | 67 | Low | 45 Ų | 45 | 86.5 Ų | 86.5 | 37% | 0.372 | 51% | 0.507 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.5 | -7.6 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | V82 T83 | V82-A85 WeakPolarHBondContact O-CB 3.48Å; V82-A85 PolarHBondContact O-N 2.9Å; V82-A85 VanDerWaalsContact O-N 3.13Å; T83-A85 VanDerWaalsContact C-N 3.32Å |
| 86 | T | 50 | Low | 67 | Low | 119 Ų | 119 | 84.8 Ų | 84.8 | 73% | 0.73 | 50% | 0.503 | S | S | * | . | S | Bend | trans | -90.7 | 2.6 | -177.6 | 49.5 | 0 | 0 | 0 | 0 | 114.6 | T83 | T83-T86 PolarHBondContact O-OG1 3.39Š|
| 87 | V | 53.9 | Low | 67 | Low | 91 Ų | 91 | 91.7 Ų | 91.7 | 55% | 0.552 | 53% | 0.526 | S | S | * | . | trans | -93.2 | 101 | 172.6 | -174.4 | 0 | 0 | 0 | 0 | 109.4 | E89 | V87-E89 HydrophobicContact CG1-CG 4.04Å; V87-E89 PolarHBondContact O-N 3.48Å | ||
| 88 | S | 59.4 | Low | 67.4 | Low | 95 Ų | 95 | 91.6 Ų | 91.6 | 66% | 0.664 | 52% | 0.518 | S | S | * | . | trans | -73.1 | 91.1 | 176.4 | 63 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 89 | E | 66.3 | Low | 67.3 | Low | 79 Ų | 79 | 93.2 Ų | 93.2 | 37% | 0.369 | 53% | 0.533 | S | S | . | . | trans | -81.5 | 125.3 | 175.5 | -65.3 | -178.9 | 164.5 | 0 | 0 | 110.5 | V87 F98 Y104 | V87-E89 HydrophobicContact CG1-CG 4.04Å; V87-E89 PolarHBondContact O-N 3.48Å; E89-F98 PolarHBondContact O-N 3.5Å; E89-Y104 HydrophobicContact CB-CD1 3.87Å; E89-Y104 HydrophobicContact CB-CE1 4.15Å; E89-Y104 HydrophobicContact CB-CG 4.14Å; E89-Y104 VanDerWaalsContact OE2-CD1 3.27Å; E89-Y104 WeakPolarHBondContact OE2-CD1 3.38Å | ||
| 90 | G | 75.9 | Confident | 67.7 | Low | 39 Ų | 39 | 89.3 Ų | 89.3 | 40% | 0.402 | 52% | 0.519 | S | S | . | . | B | Isolated β-bridge | trans | -107.9 | 135.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | K96 | G90-K96 WeakPolarHBondContact CA-O 3.26Å |
| 91 | C | 82.3 | Confident | 68.5 | Low | 3 Ų | 3 | 84.1 Ų | 84.1 | 2% | 0.02 | 50% | 0.499 | C | S | . | . | trans | -77.9 | 121.4 | 175.4 | -174.2 | 0 | 0 | 0 | 0 | 111.2 | T93 C94 N95 K96 F98 Y104 H107 H113 | C91-T93 PolarHBondContact SG-OG1 3.29Å; C91-C94 HydrophobicContact CB-CB 4.24Å; C91-N95 WeakPolarHBondContact O-CA 3.48Å; C91-N95 PolarHBondContact O-N 3.46Å; C91-K96 PolarHBondContact N-O 3.06Å; C91-F98 HydrophobicContact CB-CE2 4.22Å; C91-Y104 HydrophobicContact CB-CD2 4.46Å; C91-Y104 HydrophobicContact CB-CE2 3.73Å; C91-H107 WeakPolarHBondContact CB-NE2 3.44Å; C91-H107 PolarHBondContact SG-NE2 2.94Å; C91-H113 PolarHBondContact SG-CE1 3.37Å; C91-H113 PolarHBondContact SG-ND1 3.26Å | ||
| 92 | T | 76.5 | Confident | 69.4 | Low | 121 Ų | 121 | 82.2 Ų | 82.2 | 74% | 0.742 | 49% | 0.494 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76 | -24.6 | -179 | 53 | 0 | 0 | 0 | 0 | 114.2 | ||
| 93 | T | 76.1 | Confident | 70.5 | Confident | 75 Ų | 75 | 79.7 Ų | 79.7 | 46% | 0.46 | 48% | 0.482 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.3 | -29.3 | 178.4 | 62.2 | 0 | 0 | 0 | 0 | 112.4 | C91 H113 | C91-T93 PolarHBondContact SG-OG1 3.29Å; T93-H113 PolarHBondContact OG1-CE1 2.9Å; T93-H113 PolarHBondContact OG1-ND1 3.44Å |
| 94 | C | 77.8 | Confident | 71.7 | Confident | 35 Ų | 35 | 77.2 Ų | 77.2 | 24% | 0.236 | 46% | 0.463 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -109.6 | -6.3 | -177.8 | -65.4 | 0 | 0 | 0 | 0 | 113.7 | C91 K96 H107 H113 | C91-C94 HydrophobicContact CB-CB 4.24Å; C94-K96 HydrophobicContact CB-CG 4.34Å; C94-K96 WeakPolarHBondContact O-CG 3.4Å; C94-K96 PolarHBondContact O-N 3.44Å; C94-K96 VanDerWaalsContact O-N 3.07Å; C94-H107 WeakPolarHBondContact CB-NE2 3.27Å; C94-H107 VanDerWaalsContact SG-CE1 3.57Å; C94-H113 PolarHBondContact SG-ND1 3.25Å |
| 95 | N | 75.8 | Confident | 73.2 | Confident | 145 Ų | 145 | 79.9 Ų | 79.9 | 78% | 0.775 | 46% | 0.463 | S | S | * | . | trans | 50.3 | 26.7 | -175.2 | -74.7 | -31.5 | 0 | 0 | 0 | 114.9 | C91 | C91-N95 WeakPolarHBondContact O-CA 3.48Å; C91-N95 PolarHBondContact O-N 3.46Å | ||
| 96 | K | 79.3 | Confident | 74.8 | Confident | 121 Ų | 121 | 82.9 Ų | 82.9 | 53% | 0.526 | 47% | 0.472 | S | S | . | . | trans | -95.5 | 132.3 | 177.7 | -66.1 | -175.8 | -176.4 | -164.9 | 0 | 110.2 | G90 C91 C94 F98 | G90-K96 WeakPolarHBondContact CA-O 3.26Å; C91-K96 PolarHBondContact N-O 3.06Å; C94-K96 HydrophobicContact CB-CG 4.34Å; C94-K96 WeakPolarHBondContact O-CG 3.4Å; C94-K96 PolarHBondContact O-N 3.44Å; C94-K96 VanDerWaalsContact O-N 3.07Å; K96-F98 HydrophobicContact CB-CD2 4.46Å; K96-F98 HydrophobicContact CB-CE1 4.49Å; K96-F98 HydrophobicContact CB-CE2 3.52Å; K96-F98 HydrophobicContact CB-CZ 3.52Å; K96-F98 HydrophobicContact CD-CZ 4.16Å; K96-F98 HydrophobicContact CG-CZ 4.47Å; K96-F98 WeakPolarHBondContact O-CE2 3.4Å | ||
| 97 | K | 79.4 | Confident | 76.5 | Confident | 186 Ų | 186 | 78.3 Ų | 78.3 | 81% | 0.809 | 44% | 0.443 | S | S | * | . | B | Isolated β-bridge | trans | -95.4 | 133.9 | 173.5 | -60.2 | -176.6 | -178.7 | -176.6 | 0 | 109 | ||
| 98 | F | 81.8 | Confident | 78 | Confident | 39 Ų | 39 | 77 Ų | 77 | 17% | 0.171 | 43% | 0.432 | C | S | . | . | trans | -116.7 | 141.1 | -180 | -61.8 | -86.7 | 0 | 0 | 0 | 110.2 | E89 C91 K96 S100 A103 Y104 H107 | E89-F98 PolarHBondContact O-N 3.5Å; C91-F98 HydrophobicContact CB-CE2 4.22Å; K96-F98 HydrophobicContact CB-CD2 4.46Å; K96-F98 HydrophobicContact CB-CE1 4.49Å; K96-F98 HydrophobicContact CB-CE2 3.52Å; K96-F98 HydrophobicContact CB-CZ 3.52Å; K96-F98 HydrophobicContact CD-CZ 4.16Å; K96-F98 HydrophobicContact CG-CZ 4.47Å; K96-F98 WeakPolarHBondContact O-CE2 3.4Å; F98-S100 VanDerWaalsContact C-N 3.32Å; F98-A103 HydrophobicContact CB-CB 4.43Å; F98-A103 HydrophobicContact CD1-CB 4.19Å; F98-Y104 AromaticContact CD2-CD2 3.57Å; F98-Y104 HydrophobicContact CD2-CD2 3.57Å; F98-Y104 HydrophobicContact CD2-CE2 4.48Å; F98-Y104 HydrophobicContact CD2-CG 4.36Å; F98-Y104 HydrophobicContact CE2-CD2 4.01Å; F98-Y104 HydrophobicContact CG-CD2 4.41Å; F98-H107 HydrophobicContact CE1-CB 3.77Å; F98-H107 HydrophobicContact CE2-CB 3.87Å; F98-H107 AromaticContact CE2-CD2 3.36Å; F98-H107 WeakPolarHBondContact CE2-CD2 3.19Å; F98-H107 AromaticContact CE2-CG 3.55Å; F98-H107 AromaticContact CE2-NE2 3.99Å; F98-H107 HydrophobicContact CZ-CB 3.39Å; F98-H107 AromaticContact CZ-CD2 3.47Å; F98-H107 VanDerWaalsContact CZ-CD2 3.47Å; F98-H107 WeakPolarHBondContact CZ-CD2 3.47Å; F98-H107 AromaticContact CZ-CG 3.15Å; F98-H107 AromaticContact CZ-ND1 3.59Å | ||
| 99 | S | 69.2 | Low | 79.2 | Confident | 106 Ų | 106 | 78.9 Ų | 78.9 | 74% | 0.741 | 43% | 0.431 | S | S | * | . | S | Bend | trans | -87.3 | -0.5 | -179.3 | 55.6 | 0 | 0 | 0 | 0 | 113.5 | ||
| 100 | S | 77.8 | Confident | 80.2 | Confident | 45 Ų | 45 | 77.4 Ų | 77.4 | 32% | 0.315 | 43% | 0.429 | S | S | . | . | S | Bend | trans | -148.6 | 137.1 | 179.2 | 174.5 | 0 | 0 | 0 | 0 | 109.5 | F98 N102 A103 Y104 | F98-S100 VanDerWaalsContact C-N 3.32Å; S100-N102 PolarHBondContact O-N 3.22Å; S100-N102 PolarHBondContact OG-N 2.96Å; S100-A103 WeakPolarHBondContact O-CB 3.31Å; S100-A103 PolarHBondContact O-N 3.24Å; S100-Y104 PolarHBondContact O-N 3.35Å |
| 101 | S | 80.4 | Confident | 80.8 | Confident | 39 Ų | 39 | 81.5 Ų | 81.5 | 27% | 0.273 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -57.9 | -36 | 176.2 | -172.6 | 0 | 0 | 0 | 0 | 111.9 | A103 Y104 Q105 | S101-A103 PolarHBondContact O-N 3.33Å; S101-Y104 WeakPolarHBondContact O-CB 3.48Å; S101-Y104 PolarHBondContact O-N 3.43Å; S101-Q105 PolarHBondContact O-N 3.05Å |
| 102 | N | 78.5 | Confident | 80.8 | Confident | 108 Ų | 108 | 89.4 Ų | 89.4 | 58% | 0.578 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -65.7 | -36.8 | 175.1 | -75.5 | -11.8 | 0 | 0 | 0 | 112.6 | S100 Y104 N106 | S100-N102 PolarHBondContact O-N 3.22Å; S100-N102 PolarHBondContact OG-N 2.96Å; N102-Y104 VanDerWaalsContact C-N 3.34Å; N102-N106 WeakPolarHBondContact O-CB 3.45Å; N102-N106 VanDerWaalsContact O-CG 3.28Å; N102-N106 PolarHBondContact O-N 3.3Å; N102-N106 PolarHBondContact O-ND2 3.01Å; N102-N106 VanDerWaalsContact O-ND2 3.12Å |
| 103 | A | 80.6 | Confident | 81.2 | Confident | 39 Ų | 39 | 84.2 Ų | 84.2 | 32% | 0.322 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -69.4 | -35.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | F98 S100 S101 H107 | F98-A103 HydrophobicContact CB-CB 4.43Å; F98-A103 HydrophobicContact CD1-CB 4.19Å; S100-A103 WeakPolarHBondContact O-CB 3.31Å; S100-A103 PolarHBondContact O-N 3.24Å; S101-A103 PolarHBondContact O-N 3.33Å; A103-H107 WeakPolarHBondContact O-CB 3.27Å; A103-H107 PolarHBondContact O-N 3.17Å |
| 104 | Y | 83.4 | Confident | 81.8 | Confident | 45 Ų | 45 | 84.3 Ų | 84.3 | 18% | 0.176 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -66.5 | -46.6 | 173.8 | -178.9 | -122.3 | 0 | 0 | 0 | 112.1 | E89 C91 F98 S100 S101 N102 N106 H107 L108 | E89-Y104 HydrophobicContact CB-CD1 3.87Å; E89-Y104 HydrophobicContact CB-CE1 4.15Å; E89-Y104 HydrophobicContact CB-CG 4.14Å; E89-Y104 VanDerWaalsContact OE2-CD1 3.27Å; E89-Y104 WeakPolarHBondContact OE2-CD1 3.38Å; C91-Y104 HydrophobicContact CB-CD2 4.46Å; C91-Y104 HydrophobicContact CB-CE2 3.73Å; F98-Y104 AromaticContact CD2-CD2 3.57Å; F98-Y104 HydrophobicContact CD2-CD2 3.57Å; F98-Y104 HydrophobicContact CD2-CE2 4.48Å; F98-Y104 HydrophobicContact CD2-CG 4.36Å; F98-Y104 HydrophobicContact CE2-CD2 4.01Å; F98-Y104 HydrophobicContact CG-CD2 4.41Å; S100-Y104 PolarHBondContact O-N 3.35Å; S101-Y104 WeakPolarHBondContact O-CB 3.48Å; S101-Y104 PolarHBondContact O-N 3.43Å; N102-Y104 VanDerWaalsContact C-N 3.34Å; Y104-N106 PolarHBondContact O-N 3.02Å; Y104-H107 WeakPolarHBondContact O-CA 3.14Å; Y104-H107 VanDerWaalsContact O-CB 3.31Å; Y104-H107 WeakPolarHBondContact O-CB 3.46Å; Y104-H107 PolarHBondContact O-N 2.9Å; Y104-H107 VanDerWaalsContact O-N 3.08Å; Y104-L108 HydrophobicContact CD1-CD1 4.36Å; Y104-L108 HydrophobicContact CE1-CD1 3.91Å; Y104-L108 HydrophobicContact CE2-CD2 4.15Å; Y104-L108 HydrophobicContact CE2-CG 4.34Å; Y104-L108 WeakPolarHBondContact O-CG 3.39Å; Y104-L108 PolarHBondContact O-N 3.17Å |
| 105 | Q | 82.1 | Confident | 82.2 | Confident | 103 Ų | 103 | 86.8 Ų | 86.8 | 48% | 0.481 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -61.1 | -43.7 | 176.3 | -75.1 | -175.6 | -16.6 | 0 | 0 | 112.4 | S101 H107 L108 Q109 | S101-Q105 PolarHBondContact O-N 3.05Å; Q105-H107 VanDerWaalsContact C-N 3.25Å; Q105-H107 PolarHBondContact O-N 3.27Å; Q105-L108 PolarHBondContact O-N 3.43Å; Q105-Q109 WeakPolarHBondContact O-CG 3.17Å; Q105-Q109 PolarHBondContact O-N 3.03Å; Q105-Q109 VanDerWaalsContact O-N 3.13Å |
| 106 | N | 84.8 | Confident | 82.6 | Confident | 108 Ų | 108 | 81.7 Ų | 81.7 | 58% | 0.578 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -63.3 | -32.9 | 174.4 | -75 | -31 | 0 | 0 | 0 | 112.4 | N102 Y104 Q109 S110 | N102-N106 WeakPolarHBondContact O-CB 3.45Å; N102-N106 VanDerWaalsContact O-CG 3.28Å; N102-N106 PolarHBondContact O-N 3.3Å; N102-N106 PolarHBondContact O-ND2 3.01Å; N102-N106 VanDerWaalsContact O-ND2 3.12Å; Y104-N106 PolarHBondContact O-N 3.02Å; N106-Q109 PolarHBondContact O-N 3.28Å; N106-S110 PolarHBondContact O-N 3.4Å; N106-S110 VanDerWaalsContact O-N 3.12Å |
| 107 | H | 86.1 | Confident | 83 | Confident | 23 Ų | 23 | 80.2 Ų | 80.2 | 11% | 0.106 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -65.6 | -44 | 173.5 | 168.8 | 64.8 | 0 | 0 | 0 | 112.3 | C91 C94 F98 A103 Y104 Q105 Q109 S110 H113 | C91-H107 WeakPolarHBondContact CB-NE2 3.44Å; C91-H107 PolarHBondContact SG-NE2 2.94Å; C94-H107 WeakPolarHBondContact CB-NE2 3.27Å; C94-H107 VanDerWaalsContact SG-CE1 3.57Å; F98-H107 HydrophobicContact CE1-CB 3.77Å; F98-H107 HydrophobicContact CE2-CB 3.87Å; F98-H107 AromaticContact CE2-CD2 3.36Å; F98-H107 WeakPolarHBondContact CE2-CD2 3.19Å; F98-H107 AromaticContact CE2-CG 3.55Å; F98-H107 AromaticContact CE2-NE2 3.99Å; F98-H107 HydrophobicContact CZ-CB 3.39Å; F98-H107 AromaticContact CZ-CD2 3.47Å; F98-H107 VanDerWaalsContact CZ-CD2 3.47Å; F98-H107 WeakPolarHBondContact CZ-CD2 3.47Å; F98-H107 AromaticContact CZ-CG 3.15Å; F98-H107 AromaticContact CZ-ND1 3.59Å; A103-H107 WeakPolarHBondContact O-CB 3.27Å; A103-H107 PolarHBondContact O-N 3.17Å; Y104-H107 WeakPolarHBondContact O-CA 3.14Å; Y104-H107 VanDerWaalsContact O-CB 3.31Å; Y104-H107 WeakPolarHBondContact O-CB 3.46Å; Y104-H107 PolarHBondContact O-N 2.9Å; Y104-H107 VanDerWaalsContact O-N 3.08Å; Q105-H107 VanDerWaalsContact C-N 3.25Å; Q105-H107 PolarHBondContact O-N 3.27Å; H107-Q109 VanDerWaalsContact C-N 3.25Å; H107-Q109 PolarHBondContact O-N 3.49Å; H107-S110 WeakPolarHBondContact O-CB 3.44Å; H107-S110 PolarHBondContact O-N 3.08Å; H107-H113 AromaticContact CD2-ND1 3.94Å; H107-H113 AromaticContact CE1-ND1 3.85Å; H107-H113 AromaticContact NE2-ND1 3.33Å; H107-H113 PolarHBondContact NE2-ND1 3.31Å; H107-H113 WeakPolarHBondContact O-CB 3.42Å |
| 108 | L | 85.1 | Confident | 83.4 | Confident | 62 Ų | 62 | 77.9 Ų | 77.9 | 33% | 0.325 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -61.5 | -35 | 176.8 | -64.3 | 177.5 | 0 | 0 | 0 | 112 | Y104 Q105 S110 H113 | Y104-L108 HydrophobicContact CD1-CD1 4.36Å; Y104-L108 HydrophobicContact CE1-CD1 3.91Å; Y104-L108 HydrophobicContact CE2-CD2 4.15Å; Y104-L108 HydrophobicContact CE2-CG 4.34Å; Y104-L108 WeakPolarHBondContact O-CG 3.39Å; Y104-L108 PolarHBondContact O-N 3.17Å; Q105-L108 PolarHBondContact O-N 3.43Å; L108-S110 VanDerWaalsContact C-N 3.3Å; L108-H113 VanDerWaalsContact CD2-CE1 3.45Å; L108-H113 WeakPolarHBondContact CD2-CE1 3.27Å; L108-H113 PolarHBondContact O-CD2 3.06Å |
| 109 | Q | 83.8 | Confident | 83.6 | Confident | 136 Ų | 136 | 82.3 Ų | 82.3 | 64% | 0.636 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.1 | -8.5 | 176.8 | -64.8 | -178.8 | 6 | 0 | 0 | 113.7 | Q105 N106 H107 H111 Q114 | Q105-Q109 WeakPolarHBondContact O-CG 3.17Å; Q105-Q109 PolarHBondContact O-N 3.03Å; Q105-Q109 VanDerWaalsContact O-N 3.13Å; N106-Q109 PolarHBondContact O-N 3.28Å; H107-Q109 VanDerWaalsContact C-N 3.25Å; H107-Q109 PolarHBondContact O-N 3.49Å; Q109-H111 PolarHBondContact O-N 2.74Å; Q109-Q114 PolarHBondContact O-NE2 2.86Å |
| 110 | S | 88.2 | Confident | 84.4 | Confident | 48 Ų | 48 | 80.2 Ų | 80.2 | 34% | 0.336 | 42% | 0.415 | S | S | . | . | S | Bend | trans | -67.1 | 135.3 | 179.9 | -172.4 | 0 | 0 | 0 | 0 | 110.9 | N106 H107 L108 K112 H113 Q114 | N106-S110 PolarHBondContact O-N 3.4Å; N106-S110 VanDerWaalsContact O-N 3.12Å; H107-S110 WeakPolarHBondContact O-CB 3.44Å; H107-S110 PolarHBondContact O-N 3.08Å; L108-S110 VanDerWaalsContact C-N 3.3Å; S110-K112 PolarHBondContact O-N 2.75Å; S110-H113 PolarHBondContact O-N 3.14Å; S110-Q114 PolarHBondContact O-N 3.48Å; S110-Q114 VanDerWaalsContact O-N 3.08Å |
| 111 | H | 87.1 | Confident | 84.7 | Confident | 124 Ų | 124 | 82.9 Ų | 82.9 | 57% | 0.574 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -52.4 | -33.4 | 176.3 | -169.2 | -106.2 | 0 | 0 | 0 | 112.7 | Q109 Q115 | Q109-H111 PolarHBondContact O-N 2.74Å; H111-Q115 PolarHBondContact CE1-NE2 2.8Å; H111-Q115 VanDerWaalsContact ND1-CD 3.35Å; H111-Q115 PolarHBondContact ND1-NE2 2.85Å; H111-Q115 PolarHBondContact ND1-OE1 3.13Å; H111-Q115 VanDerWaalsContact O-CB 3.28Å; H111-Q115 WeakPolarHBondContact O-CB 3.21Å; H111-Q115 WeakPolarHBondContact O-CG 3.45Å; H111-Q115 PolarHBondContact O-N 2.69Å |
| 112 | K | 83.4 | Confident | 85 | Confident | 170 Ų | 170 | 85.6 Ų | 85.6 | 74% | 0.739 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -67 | -39.6 | 177.5 | -67.6 | -175.6 | 178.9 | -179.2 | 0 | 112.7 | S110 A116 | S110-K112 PolarHBondContact O-N 2.75Å; K112-A116 WeakPolarHBondContact O-CB 3.34Å; K112-A116 PolarHBondContact O-N 3.2Å; K112-A116 VanDerWaalsContact O-N 3.1Å |
| 113 | H | 85.6 | Confident | 85.4 | Confident | 12 Ų | 12 | 82.8 Ų | 82.8 | 6% | 0.056 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -69.2 | -47.8 | 176.6 | 176.2 | 95.2 | 0 | 0 | 0 | 110.4 | C91 T93 C94 H107 L108 S110 Q115 A116 E117 | C91-H113 PolarHBondContact SG-CE1 3.37Å; C91-H113 PolarHBondContact SG-ND1 3.26Å; T93-H113 PolarHBondContact OG1-CE1 2.9Å; T93-H113 PolarHBondContact OG1-ND1 3.44Å; C94-H113 PolarHBondContact SG-ND1 3.25Å; H107-H113 AromaticContact CD2-ND1 3.94Å; H107-H113 AromaticContact CE1-ND1 3.85Å; H107-H113 AromaticContact NE2-ND1 3.33Å; H107-H113 PolarHBondContact NE2-ND1 3.31Å; H107-H113 WeakPolarHBondContact O-CB 3.42Å; L108-H113 VanDerWaalsContact CD2-CE1 3.45Å; L108-H113 WeakPolarHBondContact CD2-CE1 3.27Å; L108-H113 PolarHBondContact O-CD2 3.06Å; S110-H113 PolarHBondContact O-N 3.14Å; H113-Q115 VanDerWaalsContact C-N 3.29Å; H113-Q115 PolarHBondContact O-N 2.9Å; H113-A116 PolarHBondContact O-N 3.41Å; H113-A116 VanDerWaalsContact O-N 3.13Å; H113-E117 WeakPolarHBondContact O-CB 3.38Å; H113-E117 PolarHBondContact O-N 3.19Å |
| 114 | Q | 87 | Confident | 85.5 | Confident | 77 Ų | 77 | 83.3 Ų | 83.3 | 36% | 0.36 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -62.1 | -35.4 | 178.4 | -65.9 | 177.9 | 3.8 | 0 | 0 | 112.8 | Q109 S110 K118 | Q109-Q114 PolarHBondContact O-NE2 2.86Å; S110-Q114 PolarHBondContact O-N 3.48Å; S110-Q114 VanDerWaalsContact O-N 3.08Å; Q114-K118 WeakPolarHBondContact O-CB 3.38Å; Q114-K118 VanDerWaalsContact O-CG 3.25Å; Q114-K118 WeakPolarHBondContact O-CG 3.33Å; Q114-K118 PolarHBondContact O-N 3.24Å |
| 115 | Q | 86.1 | Confident | 85.5 | Confident | 87 Ų | 87 | 86.3 Ų | 86.3 | 41% | 0.407 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -68.1 | -43.4 | 173.2 | -79.6 | -177.5 | -31.4 | 0 | 0 | 112.2 | H111 H113 E117 K118 Q119 | H111-Q115 PolarHBondContact CE1-NE2 2.8Å; H111-Q115 VanDerWaalsContact ND1-CD 3.35Å; H111-Q115 PolarHBondContact ND1-NE2 2.85Å; H111-Q115 PolarHBondContact ND1-OE1 3.13Å; H111-Q115 VanDerWaalsContact O-CB 3.28Å; H111-Q115 WeakPolarHBondContact O-CB 3.21Å; H111-Q115 WeakPolarHBondContact O-CG 3.45Å; H111-Q115 PolarHBondContact O-N 2.69Å; H113-Q115 VanDerWaalsContact C-N 3.29Å; H113-Q115 PolarHBondContact O-N 2.9Å; Q115-E117 VanDerWaalsContact C-N 3.31Å; Q115-E117 PolarHBondContact O-N 3.49Å; Q115-K118 PolarHBondContact O-N 3.4Å; Q115-Q119 WeakPolarHBondContact O-CB 3.44Å; Q115-Q119 VanDerWaalsContact O-CG 3.26Å; Q115-Q119 WeakPolarHBondContact O-CG 3.14Å; Q115-Q119 PolarHBondContact O-N 2.95Å |
| 116 | A | 85.3 | Confident | 85.7 | Confident | 38 Ų | 38 | 87.9 Ų | 87.9 | 31% | 0.314 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -62.4 | -40.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | K112 H113 Q119 A120 | K112-A116 WeakPolarHBondContact O-CB 3.34Å; K112-A116 PolarHBondContact O-N 3.2Å; K112-A116 VanDerWaalsContact O-N 3.1Å; H113-A116 PolarHBondContact O-N 3.41Å; H113-A116 VanDerWaalsContact O-N 3.13Å; A116-Q119 PolarHBondContact O-N 3.18Å; A116-A120 WeakPolarHBondContact O-CB 3.27Å; A116-A120 PolarHBondContact O-N 3.49Å |
| 117 | E | 87.9 | Confident | 85.6 | Confident | 90 Ų | 90 | 89.7 Ų | 89.7 | 42% | 0.421 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -65.2 | -48.1 | 175.8 | -169.5 | -177.1 | -173 | 0 | 0 | 111.9 | H113 Q115 Q119 A120 L121 | H113-E117 WeakPolarHBondContact O-CB 3.38Å; H113-E117 PolarHBondContact O-N 3.19Å; Q115-E117 VanDerWaalsContact C-N 3.31Å; Q115-E117 PolarHBondContact O-N 3.49Å; E117-Q119 VanDerWaalsContact C-N 3.3Å; E117-Q119 PolarHBondContact O-N 3.27Å; E117-A120 PolarHBondContact O-N 3.35Å; E117-L121 WeakPolarHBondContact O-CG 3.45Å; E117-L121 PolarHBondContact O-N 2.81Å |
| 118 | K | 87.4 | Confident | 85.3 | Confident | 137 Ų | 137 | 92.5 Ų | 92.5 | 60% | 0.596 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -59.1 | -40.8 | 175 | -76.1 | 175.9 | -178.3 | -179.8 | 0 | 112.1 | Q114 Q115 L121 L122 | Q114-K118 WeakPolarHBondContact O-CB 3.38Å; Q114-K118 VanDerWaalsContact O-CG 3.25Å; Q114-K118 WeakPolarHBondContact O-CG 3.33Å; Q114-K118 PolarHBondContact O-N 3.24Å; Q115-K118 PolarHBondContact O-N 3.4Å; K118-L121 PolarHBondContact O-N 3.28Å; K118-L122 VanDerWaalsContact O-CG 3.31Å; K118-L122 WeakPolarHBondContact O-CG 3.41Å; K118-L122 PolarHBondContact O-N 3.46Å |
| 119 | Q | 86.5 | Confident | 84.9 | Confident | 132 Ų | 132 | 94.9 Ų | 94.9 | 62% | 0.617 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -67.2 | -40.2 | 176.8 | -75.4 | 177.1 | 2.6 | 0 | 0 | 112.1 | Q115 A116 E117 L121 L122 A123 | Q115-Q119 WeakPolarHBondContact O-CB 3.44Å; Q115-Q119 VanDerWaalsContact O-CG 3.26Å; Q115-Q119 WeakPolarHBondContact O-CG 3.14Å; Q115-Q119 PolarHBondContact O-N 2.95Å; A116-Q119 PolarHBondContact O-N 3.18Å; E117-Q119 VanDerWaalsContact C-N 3.3Å; E117-Q119 PolarHBondContact O-N 3.27Å; Q119-L121 VanDerWaalsContact C-N 3.34Å; Q119-L122 PolarHBondContact O-N 3.29Å; Q119-A123 WeakPolarHBondContact O-CB 3.46Å; Q119-A123 PolarHBondContact O-N 3.28Å |
| 120 | A | 84.6 | Confident | 84.5 | Confident | 62 Ų | 62 | 93 Ų | 93 | 51% | 0.512 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -62.8 | -40.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | A116 E117 A123 A124 | A116-A120 WeakPolarHBondContact O-CB 3.27Å; A116-A120 PolarHBondContact O-N 3.49Å; E117-A120 PolarHBondContact O-N 3.35Å; A120-A123 PolarHBondContact O-N 2.81Å; A120-A124 WeakPolarHBondContact O-CB 3.46Å; A120-A124 PolarHBondContact O-N 2.95Å |
| 121 | L | 85.6 | Confident | 83.7 | Confident | 100 Ų | 100 | 96.6 Ų | 96.6 | 52% | 0.524 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -64.8 | -45.4 | 175.2 | -72.1 | 175.1 | 0 | 0 | 0 | 112.3 | E117 K118 Q119 A123 A124 Q125 | E117-L121 WeakPolarHBondContact O-CG 3.45Å; E117-L121 PolarHBondContact O-N 2.81Å; K118-L121 PolarHBondContact O-N 3.28Å; Q119-L121 VanDerWaalsContact C-N 3.34Å; L121-A123 VanDerWaalsContact C-N 3.32Å; L121-A123 PolarHBondContact O-N 3.22Å; L121-A124 PolarHBondContact O-N 2.7Å; L121-Q125 WeakPolarHBondContact O-CG 3.35Å; L121-Q125 PolarHBondContact O-N 2.68Å |
| 122 | L | 85.8 | Confident | 82.9 | Confident | 96 Ų | 96 | 94.8 Ų | 94.8 | 50% | 0.503 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -63.8 | -37.9 | 176.9 | -71.1 | 172.3 | 0 | 0 | 0 | 112 | K118 Q119 Q125 K126 | K118-L122 VanDerWaalsContact O-CG 3.31Å; K118-L122 WeakPolarHBondContact O-CG 3.41Å; K118-L122 PolarHBondContact O-N 3.46Å; Q119-L122 PolarHBondContact O-N 3.29Å; L122-Q125 PolarHBondContact O-N 2.72Å; L122-K126 WeakPolarHBondContact O-CB 3.21Å; L122-K126 WeakPolarHBondContact O-CG 3.3Å; L122-K126 PolarHBondContact O-N 2.9Å |
| 123 | A | 86.3 | Confident | 82.5 | Confident | 49 Ų | 49 | 92.6 Ų | 92.6 | 41% | 0.405 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -67.1 | -37.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q119 A120 L121 K127 | Q119-A123 WeakPolarHBondContact O-CB 3.46Å; Q119-A123 PolarHBondContact O-N 3.28Å; A120-A123 PolarHBondContact O-N 2.81Å; L121-A123 VanDerWaalsContact C-N 3.32Å; L121-A123 PolarHBondContact O-N 3.22Å; A123-K127 WeakPolarHBondContact O-CG 3.37Å; A123-K127 PolarHBondContact O-N 2.91Å; A123-K127 VanDerWaalsContact O-N 3.09Å |
| 124 | A | 83.4 | Confident | 82 | Confident | 50 Ų | 50 | 98.1 Ų | 98.1 | 41% | 0.413 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -66.3 | -44 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | A120 L121 K127 V128 | A120-A124 WeakPolarHBondContact O-CB 3.46Å; A120-A124 PolarHBondContact O-N 2.95Å; L121-A124 PolarHBondContact O-N 2.7Å; A124-K127 PolarHBondContact O-N 3.22Å; A124-V128 WeakPolarHBondContact O-CG2 3.43Å; A124-V128 PolarHBondContact O-N 2.78Å |
| 125 | Q | 83.8 | Confident | 80.8 | Confident | 109 Ų | 109 | 98.5 Ų | 98.5 | 51% | 0.509 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -59.8 | -48.7 | 175.9 | -74.9 | 175.2 | -10.1 | 0 | 0 | 111.7 | L121 L122 K127 V128 E129 | L121-Q125 WeakPolarHBondContact O-CG 3.35Å; L121-Q125 PolarHBondContact O-N 2.68Å; L122-Q125 PolarHBondContact O-N 2.72Å; Q125-K127 VanDerWaalsContact C-N 3.27Å; Q125-K127 PolarHBondContact O-N 3.32Å; Q125-V128 PolarHBondContact O-N 3.3Å; Q125-V128 VanDerWaalsContact O-N 3.08Å; Q125-E129 WeakPolarHBondContact O-CG 3.49Å; Q125-E129 PolarHBondContact O-N 3.08Å |
| 126 | K | 86.1 | Confident | 79.6 | Confident | 135 Ų | 135 | 101.2 Ų | 101.2 | 59% | 0.587 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -60.4 | -34.8 | 175.8 | -74.3 | -179.4 | 179.4 | -174.2 | 0 | 113.2 | L122 M130 | L122-K126 WeakPolarHBondContact O-CB 3.21Å; L122-K126 WeakPolarHBondContact O-CG 3.3Å; L122-K126 PolarHBondContact O-N 2.9Å; K126-M130 WeakPolarHBondContact O-CB 3.31Å; K126-M130 WeakPolarHBondContact O-CG 3.43Å; K126-M130 PolarHBondContact O-N 2.92Å |
| 127 | K | 81.9 | Confident | 78.5 | Confident | 146 Ų | 146 | 107.5 Ų | 107.5 | 64% | 0.635 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -69 | -38.8 | 174.8 | -80.7 | 179.9 | 179.5 | 179.9 | 0 | 112.1 | A123 A124 Q125 M131 | A123-K127 WeakPolarHBondContact O-CG 3.37Å; A123-K127 PolarHBondContact O-N 2.91Å; A123-K127 VanDerWaalsContact O-N 3.09Å; A124-K127 PolarHBondContact O-N 3.22Å; Q125-K127 VanDerWaalsContact C-N 3.27Å; Q125-K127 PolarHBondContact O-N 3.32Å; K127-M131 VanDerWaalsContact O-CB 3.27Å; K127-M131 WeakPolarHBondContact O-CB 3.42Å; K127-M131 PolarHBondContact O-N 3.3Å |
| 128 | V | 80.9 | Confident | 77.3 | Confident | 82 Ų | 82 | 111.1 Ų | 111.1 | 50% | 0.497 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -67.6 | -41.4 | 175.2 | 172.5 | 0 | 0 | 0 | 0 | 110.5 | A124 Q125 M131 N132 | A124-V128 WeakPolarHBondContact O-CG2 3.43Å; A124-V128 PolarHBondContact O-N 2.78Å; Q125-V128 PolarHBondContact O-N 3.3Å; Q125-V128 VanDerWaalsContact O-N 3.08Å; V128-M131 CarbonylContact O-C 3.57Å; V128-M131 PolarHBondContact O-N 3.28Å; V128-N132 WeakPolarHBondContact O-CB 3.42Å; V128-N132 VanDerWaalsContact O-CG 3.27Å; V128-N132 PolarHBondContact O-N 3.3Å |
| 129 | E | 76.3 | Confident | 75.7 | Confident | 112 Ų | 112 | 107.6 Ų | 107.6 | 52% | 0.523 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -61.9 | -49.4 | 174 | -73.6 | 170.7 | 177.8 | 0 | 0 | 111.4 | Q125 M131 N132 E133 | Q125-E129 WeakPolarHBondContact O-CG 3.49Å; Q125-E129 PolarHBondContact O-N 3.08Å; E129-M131 PolarHBondContact O-N 3.22Å; E129-N132 CarbonylContact O-C 3.56Å; E129-N132 PolarHBondContact O-N 3.03Å; E129-E133 WeakPolarHBondContact O-CB 3.3Å; E129-E133 WeakPolarHBondContact O-CG 3.03Å; E129-E133 PolarHBondContact O-N 3.4Å |
| 130 | M | 76.1 | Confident | 74.1 | Confident | 98 Ų | 98 | 109 Ų | 109 | 48% | 0.483 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -61.2 | -32.4 | 174.2 | -80.6 | -161.4 | -72.4 | 0 | 0 | 112.9 | K126 K134 | K126-M130 WeakPolarHBondContact O-CB 3.31Å; K126-M130 WeakPolarHBondContact O-CG 3.43Å; K126-M130 PolarHBondContact O-N 2.92Å; M130-K134 VanDerWaalsContact O-CB 3.3Å; M130-K134 WeakPolarHBondContact O-CB 3.25Å; M130-K134 WeakPolarHBondContact O-CG 3.43Å; M130-K134 PolarHBondContact O-N 2.88Å; M130-K134 VanDerWaalsContact O-N 3.08Å |
| 131 | M | 71.1 | Confident | 72.1 | Confident | 122 Ų | 122 | 109.3 Ų | 109.3 | 60% | 0.601 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -72.1 | -37.5 | 174.9 | -168.3 | 178.3 | -68.7 | 0 | 0 | 111 | K127 V128 E129 N135 | K127-M131 VanDerWaalsContact O-CB 3.27Å; K127-M131 WeakPolarHBondContact O-CB 3.42Å; K127-M131 PolarHBondContact O-N 3.3Å; V128-M131 CarbonylContact O-C 3.57Å; V128-M131 PolarHBondContact O-N 3.28Å; E129-M131 PolarHBondContact O-N 3.22Å; M131-N135 WeakPolarHBondContact O-CB 3.33Å; M131-N135 PolarHBondContact O-N 2.93Å; M131-N135 PolarHBondContact O-ND2 2.94Å |
| 132 | N | 70.8 | Confident | 70.3 | Confident | 87 Ų | 87 | 111.3 Ų | 111.3 | 47% | 0.465 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -70.2 | -41.4 | 175.8 | -75.5 | -12.1 | 0 | 0 | 0 | 112.2 | V128 E129 N135 L136 | V128-N132 WeakPolarHBondContact O-CB 3.42Å; V128-N132 VanDerWaalsContact O-CG 3.27Å; V128-N132 PolarHBondContact O-N 3.3Å; E129-N132 CarbonylContact O-C 3.56Å; E129-N132 PolarHBondContact O-N 3.03Å; N132-N135 WeakPolarHBondContact O-CB 3.22Å; N132-N135 PolarHBondContact O-N 3.08Å; N132-L136 PolarHBondContact O-N 3.29Å |
| 133 | E | 74.3 | Confident | 68 | Low | 124 Ų | 124 | 114.5 Ų | 114.5 | 58% | 0.579 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -63.1 | -45.8 | 174.2 | -75.2 | 178.5 | 162.1 | 0 | 0 | 111.1 | E129 N135 L136 E137 | E129-E133 WeakPolarHBondContact O-CB 3.3Å; E129-E133 WeakPolarHBondContact O-CG 3.03Å; E129-E133 PolarHBondContact O-N 3.4Å; E133-N135 PolarHBondContact O-N 3.44Å; E133-L136 WeakPolarHBondContact O-CB 3.48Å; E133-L136 PolarHBondContact O-N 3.45Å; E133-L136 VanDerWaalsContact O-N 3.07Å; E133-E137 PolarHBondContact O-N 3.28Å |
| 134 | K | 74.1 | Confident | 66.4 | Low | 127 Ų | 127 | 115.2 Ų | 115.2 | 55% | 0.552 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -64 | -27 | 174.2 | -75.3 | 176.2 | -177.4 | -179.4 | 0 | 113.3 | M130 K138 | M130-K134 VanDerWaalsContact O-CB 3.3Å; M130-K134 WeakPolarHBondContact O-CB 3.25Å; M130-K134 WeakPolarHBondContact O-CG 3.43Å; M130-K134 PolarHBondContact O-N 2.88Å; M130-K134 VanDerWaalsContact O-N 3.08Å; K134-K138 WeakPolarHBondContact O-CG 3.49Å; K134-K138 PolarHBondContact O-N 3.38Å |
| 135 | N | 62.1 | Low | 64.9 | Low | 86 Ų | 86 | 122.9 Ų | 122.9 | 46% | 0.46 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -77.5 | -33.5 | 173.2 | -72 | -22.3 | 0 | 0 | 0 | 111.6 | M131 N132 E133 | M131-N135 WeakPolarHBondContact O-CB 3.33Å; M131-N135 PolarHBondContact O-N 2.93Å; M131-N135 PolarHBondContact O-ND2 2.94Å; N132-N135 WeakPolarHBondContact O-CB 3.22Å; N132-N135 PolarHBondContact O-N 3.08Å; E133-N135 PolarHBondContact O-N 3.44Å |
| 136 | L | 62.2 | Low | 63.3 | Low | 143 Ų | 143 | 122.5 Ų | 122.5 | 75% | 0.749 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -67.7 | -44.1 | 172.2 | -107.4 | 108.9 | 0 | 0 | 0 | 112.1 | N132 E133 K138 G139 | N132-L136 PolarHBondContact O-N 3.29Å; E133-L136 WeakPolarHBondContact O-CB 3.48Å; E133-L136 PolarHBondContact O-N 3.45Å; E133-L136 VanDerWaalsContact O-N 3.07Å; L136-K138 PolarHBondContact O-N 3.05Å; L136-G139 PolarHBondContact O-N 3.02Å; L136-G139 VanDerWaalsContact O-N 3.14Å |
| 137 | E | 61.3 | Low | 61.9 | Low | 170 Ų | 170 | 122.1 Ų | 122.1 | 79% | 0.794 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -65.4 | -25.9 | 178.2 | -75.8 | -175.5 | 160.7 | 0 | 0 | 113.1 | E133 G139 | E133-E137 PolarHBondContact O-N 3.28Å; E137-G139 PolarHBondContact O-N 2.96Å |
| 138 | K | 62.1 | Low | 60.4 | Low | 167 Ų | 167 | 122.5 Ų | 122.5 | 73% | 0.726 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.8 | 4.8 | 175.5 | -75 | -179.9 | -179.6 | -176.4 | 0 | 114.2 | K134 L136 L140 | K134-K138 WeakPolarHBondContact O-CG 3.49Å; K134-K138 PolarHBondContact O-N 3.38Å; L136-K138 PolarHBondContact O-N 3.05Å; K138-L140 PolarHBondContact O-N 3.48Å |
| 139 | G | 54.2 | Low | 59.3 | Low | 62 Ų | 62 | 124.7 Ų | 124.7 | 64% | 0.639 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 67.2 | 30.4 | 166.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | L136 E137 G141 | L136-G139 PolarHBondContact O-N 3.02Å; L136-G139 VanDerWaalsContact O-N 3.14Å; E137-G139 PolarHBondContact O-N 2.96Å; G139-G141 PolarHBondContact O-N 3.46Å |
| 140 | L | 53.2 | Low | 58.5 | Low | 163 Ų | 163 | 122.2 Ų | 122.2 | 85% | 0.853 | 67% | 0.666 | S | S | * | * | trans | -90.5 | 68 | 165.6 | -77.9 | 159.9 | 0 | 0 | 0 | 108.9 | K138 | K138-L140 PolarHBondContact O-N 3.48Š| ||
| 141 | G | 42 | Very low | 57.7 | Low | 67 Ų | 67 | 123.7 Ų | 123.7 | 69% | 0.691 | 67% | 0.67 | S | S | * | * | trans | -85.7 | 121.1 | 165.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | G139 | G139-G141 PolarHBondContact O-N 3.46Š| ||
| 142 | D | 47.8 | Very low | 56.9 | Low | 143 Ų | 143 | 122.3 Ų | 122.3 | 77% | 0.765 | 66% | 0.664 | S | S | * | * | trans | 60.1 | 100.5 | 153.8 | -158.1 | 27.5 | 0 | 0 | 0 | 118.2 | ||||
| 143 | D | 37.8 | Very low | 56.8 | Low | 163 Ų | 163 | 123.8 Ų | 123.8 | 87% | 0.872 | 67% | 0.669 | S | S | * | * | trans | -151.6 | 97.9 | 138.2 | -84.4 | -38.9 | 0 | 0 | 0 | 109 | ||||
| 144 | G | 53.8 | Low | 56.2 | Low | 63 Ų | 63 | 120.6 Ų | 120.6 | 65% | 0.649 | 66% | 0.664 | S | S | * | * | S | Bend | trans | 51.4 | 106.3 | 138.5 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||
| 145 | K | 52 | Low | 55.2 | Low | 211 Ų | 211 | 119.6 Ų | 119.6 | 92% | 0.917 | 66% | 0.664 | S | S | * | * | trans | 65.4 | 90.9 | 160.3 | -62.3 | 179.5 | -180 | -179.4 | 0 | 115.6 | ||||
| 146 | V | 49.7 | Very low | 55 | Low | 102 Ų | 102 | 122.4 Ų | 122.4 | 62% | 0.618 | 67% | 0.674 | S | S | * | * | trans | -122.5 | 106.3 | 158 | -149.8 | 0 | 0 | 0 | 0 | 107.6 | H148 | V146-H148 PolarHBondContact O-N 3.02Š| ||
| 147 | D | 55.3 | Low | 54.8 | Low | 126 Ų | 126 | 122.3 Ų | 122.3 | 67% | 0.674 | 67% | 0.67 | S | S | * | * | trans | -53.1 | 112.9 | -175.5 | -82.5 | -47.2 | 0 | 0 | 0 | 111.1 | N149 A150 | D147-N149 PolarHBondContact O-N 3.45Å; D147-A150 PolarHBondContact O-N 3.23Å | ||
| 148 | H | 52.3 | Low | 54.4 | Low | 154 Ų | 154 | 118.2 Ų | 118.2 | 71% | 0.713 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -55.7 | -22.7 | 176.9 | -82.9 | -75.8 | 0 | 0 | 0 | 112.7 | V146 N152 | V146-H148 PolarHBondContact O-N 3.02Å; H148-N152 PolarHBondContact O-N 2.84Å; H148-N152 VanDerWaalsContact O-N 3.17Å |
| 149 | N | 55.7 | Low | 53.8 | Low | 129 Ų | 129 | 117 Ų | 117 | 69% | 0.69 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -68.5 | -39.5 | 176.2 | -138.1 | 22.5 | 0 | 0 | 0 | 112.1 | D147 N152 E153 | D147-N149 PolarHBondContact O-N 3.45Å; N149-N152 PolarHBondContact O-N 3.09Å; N149-E153 WeakPolarHBondContact O-CB 3.49Å; N149-E153 PolarHBondContact O-N 2.96Å |
| 150 | A | 61.6 | Low | 53.2 | Low | 59 Ų | 59 | 122.2 Ų | 122.2 | 49% | 0.488 | 67% | 0.671 | S | S | . | * | H | α-helix | trans | -70.5 | -34.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | D147 A154 | D147-A150 PolarHBondContact O-N 3.23Å; A150-A154 WeakPolarHBondContact O-CB 3.33Å; A150-A154 PolarHBondContact O-N 3.46Å |
| 151 | K | 58.2 | Low | 52.6 | Low | 130 Ų | 130 | 119.6 Ų | 119.6 | 57% | 0.565 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -69.8 | -38.8 | 173.9 | -90.8 | 179.5 | 176 | 172 | 0 | 112.5 | L155 | K151-L155 WeakPolarHBondContact O-CB 3.47Å; K151-L155 PolarHBondContact O-N 3.07Å; K151-L155 VanDerWaalsContact O-N 3.08Å |
| 152 | N | 53.5 | Low | 52.4 | Low | 92 Ų | 92 | 122.1 Ų | 122.1 | 49% | 0.492 | 67% | 0.668 | S | S | . | * | H | α-helix | trans | -71.1 | -35.3 | 176.6 | -87.1 | -27.4 | 0 | 0 | 0 | 112.5 | H148 N149 L155 Q156 | H148-N152 PolarHBondContact O-N 2.84Å; H148-N152 VanDerWaalsContact O-N 3.17Å; N149-N152 PolarHBondContact O-N 3.09Å; N152-L155 PolarHBondContact O-N 2.85Å; N152-Q156 WeakPolarHBondContact O-CG 3.38Å; N152-Q156 PolarHBondContact O-N 3.12Å |
| 153 | E | 70.3 | Confident | 52 | Low | 119 Ų | 119 | 124.6 Ų | 124.6 | 56% | 0.556 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -68.7 | -39 | 174.5 | -167.3 | 172.7 | -172.5 | 0 | 0 | 112.1 | N149 Q156 Q157 | N149-E153 WeakPolarHBondContact O-CB 3.49Å; N149-E153 PolarHBondContact O-N 2.96Å; E153-Q156 PolarHBondContact O-N 3.14Å; E153-Q157 PolarHBondContact O-N 3.14Å |
| 154 | A | 60.5 | Low | 51.8 | Low | 57 Ų | 57 | 128 Ų | 128 | 47% | 0.471 | 68% | 0.675 | S | S | . | * | H | α-helix | trans | -66.4 | -36.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113 | A150 Q157 A158 | A150-A154 WeakPolarHBondContact O-CB 3.33Å; A150-A154 PolarHBondContact O-N 3.46Å; A154-Q157 PolarHBondContact O-N 2.93Å; A154-A158 WeakPolarHBondContact O-CB 3.33Å; A154-A158 PolarHBondContact O-N 2.83Å |
| 155 | L | 54.1 | Low | 50.8 | Low | 106 Ų | 106 | 131 Ų | 131 | 56% | 0.555 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -68.1 | -36.1 | 173.2 | -101 | 144.1 | 0 | 0 | 0 | 112.3 | K151 N152 A158 L159 | K151-L155 WeakPolarHBondContact O-CB 3.47Å; K151-L155 PolarHBondContact O-N 3.07Å; K151-L155 VanDerWaalsContact O-N 3.08Å; N152-L155 PolarHBondContact O-N 2.85Å; L155-A158 PolarHBondContact O-N 3.04Å; L155-L159 WeakPolarHBondContact O-CG 3.29Å; L155-L159 PolarHBondContact O-N 3.33Å |
| 156 | Q | 57.9 | Low | 50 | Low | 145 Ų | 145 | 128.4 Ų | 128.4 | 68% | 0.678 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -70.7 | -33.3 | 173.9 | -73.6 | 179 | 20.9 | 0 | 0 | 112.7 | N152 E153 | N152-Q156 WeakPolarHBondContact O-CG 3.38Å; N152-Q156 PolarHBondContact O-N 3.12Å; E153-Q156 PolarHBondContact O-N 3.14Å |
| 157 | Q | 58.3 | Low | 49.3 | Very low | 140 Ų | 140 | 129.2 Ų | 129.2 | 65% | 0.654 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -70.3 | -33.6 | 172.6 | -79.3 | -178.7 | -0.3 | 0 | 0 | 112.9 | E153 A154 | E153-Q157 PolarHBondContact O-N 3.14Å; A154-Q157 PolarHBondContact O-N 2.93Å |
| 158 | A | 52.3 | Low | 48.3 | Very low | 85 Ų | 85 | 132 Ų | 132 | 70% | 0.702 | 70% | 0.696 | S | S | * | * | H | α-helix | trans | -76.2 | -19.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | A154 L155 | A154-A158 WeakPolarHBondContact O-CB 3.33Å; A154-A158 PolarHBondContact O-N 2.83Å; L155-A158 PolarHBondContact O-N 3.04Å |
| 159 | L | 49.1 | Very low | 47.7 | Very low | 141 Ų | 141 | 134.7 Ų | 134.7 | 74% | 0.738 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.3 | -1.8 | 176.4 | -77.2 | 165.2 | 0 | 0 | 0 | 113.8 | L155 | L155-L159 WeakPolarHBondContact O-CG 3.29Å; L155-L159 PolarHBondContact O-N 3.33Å |
| 160 | K | 42.1 | Very low | 46.4 | Very low | 172 Ų | 172 | 133.7 Ų | 133.7 | 75% | 0.748 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -78.2 | 120.8 | 173 | -155.7 | 174.6 | -173.2 | 178.4 | 0 | 108.8 | ||
| 161 | P | 40.9 | Very low | 45.1 | Very low | 107 Ų | 107 | 140.2 Ų | 140.2 | 70% | 0.695 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 143.3 | -175.3 | 25.3 | -33 | 0 | 0 | 0 | 110.9 | Q163 | P161-Q163 PolarHBondContact O-N 3.34Š|
| 162 | P | 37.6 | Very low | 43.8 | Very low | 121 Ų | 121 | 138.5 Ų | 138.5 | 79% | 0.786 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 130.1 | 177.1 | 26.1 | -31.2 | 0 | 0 | 0 | 109.8 | R164 | P162-R164 PolarHBondContact O-N 3Š|
| 163 | Q | 38.1 | Very low | 42.7 | Very low | 194 Ų | 194 | 140.2 Ų | 140.2 | 91% | 0.907 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 125.3 | 163.7 | -78.7 | 176.8 | -54.5 | 0 | 0 | 108.3 | P161 | P161-Q163 PolarHBondContact O-N 3.34Š|
| 164 | R | 33.5 | Very low | 40.8 | Very low | 235 Ų | 235 | 138 Ų | 138 | 89% | 0.887 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -70.1 | 133.4 | 171.4 | -67.3 | -179 | 178.3 | -165.7 | -2.1 | 108.9 | P162 | P162-R164 PolarHBondContact O-N 3Š|
| 165 | P | 34.3 | Very low | 39.4 | Very low | 126 Ų | 126 | 142.3 Ų | 142.3 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 145.8 | 168.3 | 29.3 | -30.3 | 0 | 0 | 0 | 110.4 | ||
| 166 | N | 35 | Very low | 38.3 | Very low | 157 Ų | 157 | 146.1 Ų | 146.1 | 84% | 0.84 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -65 | 153.4 | 179.4 | -134.3 | 16.4 | 0 | 0 | 0 | 111.5 | E168 | N166-E168 PolarHBondContact O-N 3.43Š|
| 167 | P | 35.6 | Very low | 36.8 | Very low | 119 Ų | 119 | 150.5 Ų | 150.5 | 77% | 0.773 | 82% | 0.819 | S | S | * | * | S | Bend | trans | -89.9 | 93.8 | -174.2 | 34.8 | -27.6 | 0 | 0 | 0 | 110.3 | ||
| 168 | E | 34.4 | Very low | 35.6 | Very low | 183 Ų | 183 | 150.1 Ų | 150.1 | 86% | 0.855 | 83% | 0.829 | S | S | * | * | trans | -154.3 | 124.9 | 161.1 | -115.8 | 174.7 | 175.8 | 0 | 0 | 109.3 | N166 | N166-E168 PolarHBondContact O-N 3.43Š| ||
| 169 | K | 39.1 | Very low | 34.5 | Very low | 212 Ų | 212 | 150.2 Ų | 150.2 | 92% | 0.922 | 83% | 0.829 | S | S | * | * | trans | 81 | 92.9 | -177.7 | -61.3 | 176.2 | 176.1 | 174.7 | 0 | 117.1 | ||||
| 170 | A | 28.8 | Very low | 33.9 | Very low | 107 Ų | 107 | 148.4 Ų | 148.4 | 88% | 0.884 | 84% | 0.835 | S | S | * | * | trans | -165.4 | 78.2 | 132.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 171 | Q | 33.3 | Very low | 33.6 | Very low | 197 Ų | 197 | 147.5 Ų | 147.5 | 92% | 0.921 | 84% | 0.838 | S | S | * | * | trans | -78.7 | 131.6 | 151.1 | -77.8 | 176.1 | -13.9 | 0 | 0 | 107.4 | ||||
| 172 | A | 31 | Very low | 33.6 | Very low | 93 Ų | 93 | 152.1 Ų | 152.1 | 77% | 0.769 | 85% | 0.847 | S | S | * | * | trans | 142.7 | 123.9 | 141.4 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 173 | S | 30.6 | Very low | 33.7 | Very low | 128 Ų | 128 | 150.8 Ų | 150.8 | 90% | 0.895 | 85% | 0.847 | S | S | * | * | trans | 111.9 | 102.8 | 156 | 73.4 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 174 | G | 30.1 | Very low | 33.9 | Very low | 73 Ų | 73 | 148.7 Ų | 148.7 | 75% | 0.753 | 83% | 0.834 | S | S | * | * | trans | -87.9 | 160.8 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 175 | V | 30.6 | Very low | 34.7 | Very low | 148 Ų | 148 | 140.9 Ų | 140.9 | 90% | 0.897 | 81% | 0.814 | S | S | * | * | trans | -146.3 | 118.5 | 144.7 | 177.9 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 176 | E | 31.3 | Very low | 35.7 | Very low | 185 Ų | 185 | 144.5 Ų | 144.5 | 86% | 0.864 | 82% | 0.82 | S | S | * | * | trans | -84.7 | 132.3 | -179.2 | -64.4 | 179.1 | 146.3 | 0 | 0 | 111.9 | ||||
| 177 | R | 27.2 | Very low | 36.9 | Very low | 237 Ų | 237 | 141.8 Ų | 141.8 | 89% | 0.894 | 80% | 0.801 | S | S | * | * | trans | -147.1 | 141.1 | 144.5 | -70.5 | -173.1 | 71.6 | -161.1 | 1.6 | 108.8 | ||||
| 178 | P | 33.2 | Very low | 38.8 | Very low | 133 Ų | 133 | 137.6 Ų | 137.6 | 86% | 0.864 | 77% | 0.774 | S | S | * | * | trans | -88.7 | 121 | -156.5 | 33.5 | -31.7 | 0 | 0 | 0 | 112 | ||||
| 179 | A | 29.1 | Very low | 40.7 | Very low | 86 Ų | 86 | 129.4 Ų | 129.4 | 71% | 0.711 | 74% | 0.737 | S | S | * | * | trans | -109.8 | 114.3 | 157.3 | 0 | 0 | 0 | 0 | 0 | 106.7 | D181 | A179-D181 VanDerWaalsContact C-N 3.28Å; A179-D181 PolarHBondContact O-N 2.86Å | ||
| 180 | A | 36.5 | Very low | 42.3 | Very low | 103 Ų | 103 | 120.4 Ų | 120.4 | 85% | 0.851 | 70% | 0.697 | S | S | * | * | trans | -71 | 85 | 176.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | K182 | A180-K182 PolarHBondContact O-N 2.74Š| ||
| 181 | D | 35.9 | Very low | 44.2 | Very low | 154 Ų | 154 | 119.6 Ų | 119.6 | 82% | 0.824 | 68% | 0.677 | S | S | * | * | trans | -74.6 | 100.7 | 164.9 | -92.3 | -35.2 | 0 | 0 | 0 | 108.5 | A179 A183 | A179-D181 VanDerWaalsContact C-N 3.28Å; A179-D181 PolarHBondContact O-N 2.86Å; D181-A183 PolarHBondContact O-N 2.92Å | ||
| 182 | K | 40.6 | Very low | 46.2 | Very low | 203 Ų | 203 | 114.3 Ų | 114.3 | 88% | 0.883 | 65% | 0.653 | S | S | * | * | trans | -65.4 | 103.9 | 163.1 | -75.6 | -175.5 | 177.9 | -178.7 | 0 | 107.5 | A180 K184 | A180-K182 PolarHBondContact O-N 2.74Å; K182-K184 PolarHBondContact O-N 2.84Å | ||
| 183 | A | 39.6 | Very low | 48.4 | Very low | 93 Ų | 93 | 110.3 Ų | 110.3 | 77% | 0.769 | 62% | 0.618 | S | S | * | * | P | Polyproline II helix | trans | -49.3 | 123.4 | 172 | 0 | 0 | 0 | 0 | 0 | 110 | D181 P185 | D181-A183 PolarHBondContact O-N 2.92Å; A183-P185 WeakPolarHBondContact O-CD 3.49Å |
| 184 | K | 41.5 | Very low | 50.4 | Low | 150 Ų | 150 | 107 Ų | 107 | 65% | 0.652 | 59% | 0.587 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 120.6 | 174.9 | -164.5 | 174.2 | -174.6 | -179.1 | 0 | 107.2 | K182 E186 | K182-K184 PolarHBondContact O-N 2.84Å; K184-E186 PolarHBondContact O-N 2.97Å |
| 185 | P | 50.8 | Low | 52.5 | Low | 71 Ų | 71 | 107.5 Ų | 107.5 | 46% | 0.461 | 57% | 0.57 | S | S | . | * | P | Polyproline II helix | trans | -61.3 | 135.1 | -174.5 | 22.8 | -32.1 | 0 | 0 | 0 | 110.6 | A183 K187 | A183-P185 WeakPolarHBondContact O-CD 3.49Å; P185-K187 PolarHBondContact O-N 3.35Å |
| 186 | E | 54.9 | Low | 54.3 | Low | 203 Ų | 203 | 101.7 Ų | 101.7 | 95% | 0.949 | 54% | 0.54 | S | S | * | . | S | Bend | trans | -60.6 | -29.8 | -174.7 | -69 | -174.4 | 150.3 | 0 | 0 | 112.9 | K184 | K184-E186 PolarHBondContact O-N 2.97Š|
| 187 | K | 60.8 | Low | 56.2 | Low | 99 Ų | 99 | 94.5 Ų | 94.5 | 43% | 0.43 | 51% | 0.506 | S | S | . | . | S | Bend | trans | -97.5 | 132.1 | 172.2 | -65.4 | -173.6 | 179 | -164.8 | 0 | 110.7 | P185 Q192 E195 | P185-K187 PolarHBondContact O-N 3.35Å; K187-Q192 HydrophobicContact CB-CG 3.79Å; K187-Q192 HydrophobicContact CD-CG 4.5Å; K187-Q192 PolarHBondContact O-NE2 3.31Å; K187-E195 IonicContact NZ-OE1 2.58Å; K187-E195 PolarHBondContact NZ-OE1 3.49Å; K187-E195 IonicContact NZ-OE2 3.42Å; K187-E195 PolarHBondContact NZ-OE2 2.78Å |
| 188 | P | 75 | Confident | 58 | Low | 32 Ų | 32 | 85.5 Ų | 85.5 | 21% | 0.208 | 48% | 0.483 | C | S | . | . | trans | -60 | 138.9 | 173.9 | 25.8 | -33.3 | 0 | 0 | 0 | 110.2 | R190 L191 Q192 Y325 | P188-R190 PolarHBondContact O-N 2.94Å; P188-L191 HydrophobicContact CG-CB 4.07Å; P188-L191 HydrophobicContact CG-CD1 3.57Å; P188-L191 HydrophobicContact CG-CG 3.77Å; P188-L191 PolarHBondContact O-N 2.67Å; P188-Q192 PolarHBondContact O-N 3.05Å; P188-Y325 HydrophobicContact CB-CE1 4.24Å | ||
| 189 | P | 74.5 | Confident | 59.6 | Low | 11 Ų | 11 | 86.2 Ų | 86.2 | 7% | 0.071 | 47% | 0.472 | C | S | . | . | H | α-helix | trans | -51.4 | -34.6 | -177.2 | -30.7 | 36.5 | 0 | 0 | 0 | 114 | L191 Q192 W193 K312 Y325 | P189-L191 PolarHBondContact O-N 3.23Å; P189-Q192 PolarHBondContact O-N 3.1Å; P189-W193 PolarHBondContact O-N 3.2Å; P189-K312 HydrophobicContact CB-CD 3.89Å; P189-K312 HydrophobicContact CG-CD 4.04Å; P189-Y325 HydrophobicContact CG-CD1 4.33Å |
| 190 | R | 72.6 | Confident | 61.2 | Low | 22 Ų | 22 | 85.4 Ų | 85.4 | 8% | 0.083 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -54.2 | -47 | 173.4 | 178.4 | 173.8 | -167.1 | 165.1 | 17.1 | 114.1 | P188 W193 F194 G311 V313 N318 E319 G321 | P188-R190 PolarHBondContact O-N 2.94Å; R190-W193 PolarHBondContact O-N 3.49Å; R190-F194 HydrophobicContact CG-CD2 3.96Å; R190-F194 HydrophobicContact CG-CE2 3.67Å; R190-F194 WeakPolarHBondContact O-CD2 3.47Å; R190-F194 PolarHBondContact O-N 3.28Å; R190-F194 VanDerWaalsContact O-N 3.11Å; R190-G311 WeakPolarHBondContact CA-O 3.42Å; R190-V313 HydrophobicContact CB-CG2 4.18Å; R190-V313 HydrophobicContact CG-CG2 3.68Å; R190-N318 PolarHBondContact NH1-O 3.26Å; R190-N318 PolarHBondContact NH2-O 2.95Å; R190-E319 VanDerWaalsContact NH2-N 3.16Å; R190-G321 PolarHBondContact NH1-O 3.19Å |
| 191 | L | 68.3 | Low | 62.1 | Low | 90 Ų | 90 | 85.7 Ų | 85.7 | 47% | 0.471 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -71.9 | -36.1 | 179.9 | -72.5 | 177.9 | 0 | 0 | 0 | 110.9 | P188 P189 W193 F194 E195 | P188-L191 HydrophobicContact CG-CB 4.07Å; P188-L191 HydrophobicContact CG-CD1 3.57Å; P188-L191 HydrophobicContact CG-CG 3.77Å; P188-L191 PolarHBondContact O-N 2.67Å; P189-L191 PolarHBondContact O-N 3.23Å; L191-W193 VanDerWaalsContact C-N 3.29Å; L191-W193 PolarHBondContact O-N 3Å; L191-F194 PolarHBondContact O-N 3.31Å; L191-E195 WeakPolarHBondContact O-CB 3.44Å; L191-E195 VanDerWaalsContact O-CG 3.28Å; L191-E195 WeakPolarHBondContact O-CG 3.35Å; L191-E195 PolarHBondContact O-N 3.02Å |
| 192 | Q | 75.4 | Confident | 63.1 | Low | 87 Ų | 87 | 84.4 Ų | 84.4 | 41% | 0.407 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -64.2 | -36.8 | 175.3 | -60.1 | -179.2 | 17.1 | 0 | 0 | 111.9 | K187 P188 P189 G196 | K187-Q192 HydrophobicContact CB-CG 3.79Å; K187-Q192 HydrophobicContact CD-CG 4.5Å; K187-Q192 PolarHBondContact O-NE2 3.31Å; P188-Q192 PolarHBondContact O-N 3.05Å; P189-Q192 PolarHBondContact O-N 3.1Å; Q192-G196 PolarHBondContact O-N 3.07Å |
| 193 | W | 78.6 | Confident | 63.5 | Low | 9 Ų | 9 | 76.7 Ų | 76.7 | 3% | 0.034 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -68.8 | -44.6 | 175.9 | -177.5 | 81.6 | 0 | 0 | 0 | 112 | P189 R190 L191 G196 Q197 Y303 K307 G311 | P189-W193 PolarHBondContact O-N 3.2Å; R190-W193 PolarHBondContact O-N 3.49Å; L191-W193 VanDerWaalsContact C-N 3.29Å; L191-W193 PolarHBondContact O-N 3Å; W193-G196 PolarHBondContact O-N 3.47Å; W193-G196 VanDerWaalsContact O-N 3.17Å; W193-Q197 HydrophobicContact CD2-CG 4.15Å; W193-Q197 HydrophobicContact CE3-CG 4.33Å; W193-Q197 HydrophobicContact CH2-CG 4.09Å; W193-Q197 HydrophobicContact CZ2-CG 3.89Å; W193-Q197 HydrophobicContact CZ3-CG 4.3Å; W193-Q197 WeakPolarHBondContact O-CG 3.48Å; W193-Q197 PolarHBondContact O-N 3.11Å; W193-Y303 HydrophobicContact CH2-CE2 4.31Å; W193-Y303 HydrophobicContact CZ2-CE2 4.16Å; W193-K307 HydrophobicContact CH2-CB 4.11Å; W193-K307 HydrophobicContact CH2-CD 4.02Å; W193-K307 HydrophobicContact CH2-CG 3.77Å; W193-K307 HydrophobicContact CZ2-CB 3.92Å; W193-K307 HydrophobicContact CZ2-CG 4.09Å; W193-K307 HydrophobicContact CZ3-CG 4.24Å; W193-G311 VanDerWaalsContact CG-CA 3.45Å |
| 194 | F | 73.1 | Confident | 64.2 | Low | 59 Ų | 59 | 76.3 Ų | 76.3 | 26% | 0.259 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -62.1 | -44 | 173.7 | -72.6 | -51.8 | 0 | 0 | 0 | 112.5 | R190 L191 G196 Q197 A198 | R190-F194 HydrophobicContact CG-CD2 3.96Å; R190-F194 HydrophobicContact CG-CE2 3.67Å; R190-F194 WeakPolarHBondContact O-CD2 3.47Å; R190-F194 PolarHBondContact O-N 3.28Å; R190-F194 VanDerWaalsContact O-N 3.11Å; L191-F194 PolarHBondContact O-N 3.31Å; F194-G196 VanDerWaalsContact C-N 3.25Å; F194-G196 PolarHBondContact O-N 3.32Å; F194-Q197 PolarHBondContact O-N 3.44Å; F194-A198 PolarHBondContact O-N 2.86Å |
| 195 | E | 73.1 | Confident | 64.3 | Low | 83 Ų | 83 | 75.6 Ų | 75.6 | 39% | 0.388 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -59.4 | -37 | 173.3 | -74.3 | 175 | -174 | 0 | 0 | 111.5 | K187 L191 K199 | K187-E195 IonicContact NZ-OE1 2.58Å; K187-E195 PolarHBondContact NZ-OE1 3.49Å; K187-E195 IonicContact NZ-OE2 3.42Å; K187-E195 PolarHBondContact NZ-OE2 2.78Å; L191-E195 WeakPolarHBondContact O-CB 3.44Å; L191-E195 VanDerWaalsContact O-CG 3.28Å; L191-E195 WeakPolarHBondContact O-CG 3.35Å; L191-E195 PolarHBondContact O-N 3.02Å; E195-K199 WeakPolarHBondContact O-CG 3.38Å; E195-K199 PolarHBondContact O-N 3.33Å; E195-K199 VanDerWaalsContact O-N 3.17Å |
| 196 | G | 68.3 | Low | 63.9 | Low | 25 Ų | 25 | 77.4 Ų | 77.4 | 26% | 0.258 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -70.2 | -37.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q192 W193 F194 K200 | Q192-G196 PolarHBondContact O-N 3.07Å; W193-G196 PolarHBondContact O-N 3.47Å; W193-G196 VanDerWaalsContact O-N 3.17Å; F194-G196 VanDerWaalsContact C-N 3.25Å; F194-G196 PolarHBondContact O-N 3.32Å; G196-K200 PolarHBondContact O-N 2.77Å |
| 197 | Q | 71.3 | Confident | 63.3 | Low | 34 Ų | 34 | 70.2 Ų | 70.2 | 16% | 0.159 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -67.9 | -44.3 | 174.1 | -69 | -68.3 | -66.5 | 0 | 0 | 111.2 | W193 F194 K199 K200 M201 | W193-Q197 HydrophobicContact CD2-CG 4.15Å; W193-Q197 HydrophobicContact CE3-CG 4.33Å; W193-Q197 HydrophobicContact CH2-CG 4.09Å; W193-Q197 HydrophobicContact CZ2-CG 3.89Å; W193-Q197 HydrophobicContact CZ3-CG 4.3Å; W193-Q197 WeakPolarHBondContact O-CG 3.48Å; W193-Q197 PolarHBondContact O-N 3.11Å; F194-Q197 PolarHBondContact O-N 3.44Å; Q197-K199 VanDerWaalsContact C-N 3.34Å; Q197-K199 PolarHBondContact O-N 3.42Å; Q197-K200 WeakPolarHBondContact O-CB 3.37Å; Q197-K200 PolarHBondContact O-N 3.23Å; Q197-M201 WeakPolarHBondContact O-CG 3.34Å; Q197-M201 PolarHBondContact O-N 3.33Å |
| 198 | A | 65.8 | Low | 62.3 | Low | 49 Ų | 49 | 69.6 Ų | 69.6 | 41% | 0.405 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -59 | -44.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | F194 K200 M201 E202 | F194-A198 PolarHBondContact O-N 2.86Å; A198-K200 VanDerWaalsContact C-N 3.26Å; A198-K200 PolarHBondContact O-N 3.07Å; A198-M201 PolarHBondContact O-N 3.32Å; A198-E202 WeakPolarHBondContact O-CG 3.47Å; A198-E202 PolarHBondContact O-N 2.99Å |
| 199 | K | 65.6 | Low | 60.7 | Low | 148 Ų | 148 | 71 Ų | 71 | 64% | 0.643 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -64.3 | -28.8 | 175 | -75.5 | -178.8 | 176.7 | -171.3 | 0 | 114.1 | E195 Q197 G203 | E195-K199 WeakPolarHBondContact O-CG 3.38Å; E195-K199 PolarHBondContact O-N 3.33Å; E195-K199 VanDerWaalsContact O-N 3.17Å; Q197-K199 VanDerWaalsContact C-N 3.34Å; Q197-K199 PolarHBondContact O-N 3.42Å; K199-G203 PolarHBondContact O-N 3.23Å; K199-G203 VanDerWaalsContact O-N 3.07Å |
| 200 | K | 64 | Low | 59 | Low | 69 Ų | 69 | 77 Ų | 77 | 30% | 0.3 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -73.2 | -43.4 | 176.5 | -173.4 | -177.1 | 169.2 | -164.6 | 0 | 110.4 | G196 Q197 A198 G203 E204 H251 | G196-K200 PolarHBondContact O-N 2.77Å; Q197-K200 WeakPolarHBondContact O-CB 3.37Å; Q197-K200 PolarHBondContact O-N 3.23Å; A198-K200 VanDerWaalsContact C-N 3.26Å; A198-K200 PolarHBondContact O-N 3.07Å; K200-G203 PolarHBondContact O-N 3.11Å; K200-E204 WeakPolarHBondContact CE-OE1 3.35Å; K200-E204 IonicContact NZ-OE1 2.79Å; K200-E204 WeakPolarHBondContact O-CG 3.43Å; K200-E204 PolarHBondContact O-N 3.49Å; K200-H251 PolarHBondContact NZ-CE1 2.99Å; K200-H251 PolarHBondContact NZ-ND1 3.36Å |
| 201 | M | 55.1 | Low | 57.6 | Low | 109 Ų | 109 | 84.1 Ų | 84.1 | 54% | 0.537 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -60.6 | -44.8 | 172.8 | -64.5 | -64 | -63.2 | 0 | 0 | 111.5 | Q197 A198 G203 E204 E205 | Q197-M201 WeakPolarHBondContact O-CG 3.34Å; Q197-M201 PolarHBondContact O-N 3.33Å; A198-M201 PolarHBondContact O-N 3.32Å; M201-G203 VanDerWaalsContact C-N 3.29Å; M201-G203 PolarHBondContact O-N 3.42Å; M201-E204 PolarHBondContact O-N 3.4Å; M201-E205 PolarHBondContact O-N 3.44Å |
| 202 | E | 55.9 | Low | 56.1 | Low | 127 Ų | 127 | 87.5 Ų | 87.5 | 59% | 0.593 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -62 | -35.1 | 175.4 | -72.8 | 172.3 | 176.6 | 0 | 0 | 112.4 | A198 L206 | A198-E202 WeakPolarHBondContact O-CG 3.47Å; A198-E202 PolarHBondContact O-N 2.99Å; E202-L206 WeakPolarHBondContact O-CB 3.38Å; E202-L206 PolarHBondContact O-N 3.07Å; E202-L206 VanDerWaalsContact O-N 3.09Å |
| 203 | G | 49.9 | Very low | 54.3 | Low | 40 Ų | 40 | 91.5 Ų | 91.5 | 41% | 0.412 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -74.7 | -32.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | K199 K200 M201 A207 | K199-G203 PolarHBondContact O-N 3.23Å; K199-G203 VanDerWaalsContact O-N 3.07Å; K200-G203 PolarHBondContact O-N 3.11Å; M201-G203 VanDerWaalsContact C-N 3.29Å; M201-G203 PolarHBondContact O-N 3.42Å; G203-A207 WeakPolarHBondContact O-CB 3.08Å; G203-A207 PolarHBondContact O-N 3.03Å; G203-A207 VanDerWaalsContact O-N 3.12Å |
| 204 | E | 53.5 | Low | 52.3 | Low | 86 Ų | 86 | 101.7 Ų | 101.7 | 40% | 0.402 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -73.7 | -41.1 | 174.4 | -74.5 | 170.3 | 176.4 | 0 | 0 | 110.9 | K200 M201 L206 A207 T208 | K200-E204 WeakPolarHBondContact CE-OE1 3.35Å; K200-E204 IonicContact NZ-OE1 2.79Å; K200-E204 WeakPolarHBondContact O-CG 3.43Å; K200-E204 PolarHBondContact O-N 3.49Å; M201-E204 PolarHBondContact O-N 3.4Å; E204-L206 PolarHBondContact O-N 3.06Å; E204-A207 PolarHBondContact O-N 3.32Å; E204-T208 PolarHBondContact O-N 3.11Å; E204-T208 PolarHBondContact O-OG1 2.76Å |
| 205 | E | 44.3 | Very low | 50.3 | Low | 135 Ų | 135 | 107.8 Ų | 107.8 | 63% | 0.631 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -62.5 | -38.9 | 172.2 | -86.6 | -172.7 | 151.5 | 0 | 0 | 112.6 | M201 T208 A209 | M201-E205 PolarHBondContact O-N 3.44Å; E205-T208 WeakPolarHBondContact CA-OG1 3.34Å; E205-T208 PolarHBondContact O-OG1 3.25Å; E205-A209 WeakPolarHBondContact O-CB 3.41Å; E205-A209 PolarHBondContact O-N 3.06Å |
| 206 | L | 42.7 | Very low | 48.5 | Very low | 108 Ų | 108 | 110.8 Ų | 110.8 | 57% | 0.565 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -67.7 | -41.6 | 176.4 | -168.2 | 74.5 | 0 | 0 | 0 | 111.2 | E202 E204 T208 A209 E210 | E202-L206 WeakPolarHBondContact O-CB 3.38Å; E202-L206 PolarHBondContact O-N 3.07Å; E202-L206 VanDerWaalsContact O-N 3.09Å; E204-L206 PolarHBondContact O-N 3.06Å; L206-T208 VanDerWaalsContact C-N 3.34Å; L206-T208 PolarHBondContact O-N 2.9Å; L206-A209 PolarHBondContact O-N 2.8Å; L206-E210 VanDerWaalsContact O-CG 3.3Å; L206-E210 WeakPolarHBondContact O-CG 3.3Å; L206-E210 PolarHBondContact O-N 3.07Å; L206-E210 VanDerWaalsContact O-N 3.08Å |
| 207 | A | 42.5 | Very low | 47 | Very low | 52 Ų | 52 | 115.5 Ų | 115.5 | 43% | 0.43 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -64.2 | -36.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | G203 E204 | G203-A207 WeakPolarHBondContact O-CB 3.08Å; G203-A207 PolarHBondContact O-N 3.03Å; G203-A207 VanDerWaalsContact O-N 3.12Å; E204-A207 PolarHBondContact O-N 3.32Å |
| 208 | T | 39.2 | Very low | 45.2 | Very low | 87 Ų | 87 | 121.2 Ų | 121.2 | 53% | 0.534 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -73.7 | -30.1 | 173.9 | 49.6 | 0 | 0 | 0 | 0 | 113 | E204 E205 L206 E211 | E204-T208 PolarHBondContact O-N 3.11Å; E204-T208 PolarHBondContact O-OG1 2.76Å; E205-T208 WeakPolarHBondContact CA-OG1 3.34Å; E205-T208 PolarHBondContact O-OG1 3.25Å; L206-T208 VanDerWaalsContact C-N 3.34Å; L206-T208 PolarHBondContact O-N 2.9Å; T208-E211 PolarHBondContact O-N 2.86Å |
| 209 | A | 40.8 | Very low | 43.7 | Very low | 62 Ų | 62 | 121.8 Ų | 121.8 | 51% | 0.512 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -74.8 | -25.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | E205 L206 E211 | E205-A209 WeakPolarHBondContact O-CB 3.41Å; E205-A209 PolarHBondContact O-N 3.06Å; L206-A209 PolarHBondContact O-N 2.8Å; A209-E211 VanDerWaalsContact C-N 3.28Å |
| 210 | E | 39.9 | Very low | 42.2 | Very low | 135 Ų | 135 | 122.2 Ų | 122.2 | 63% | 0.631 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.3 | -19.3 | 174.5 | -70.2 | 173.9 | -150.9 | 0 | 0 | 112.8 | L206 | L206-E210 VanDerWaalsContact O-CG 3.3Å; L206-E210 WeakPolarHBondContact O-CG 3.3Å; L206-E210 PolarHBondContact O-N 3.07Å; L206-E210 VanDerWaalsContact O-N 3.08Å |
| 211 | E | 41.8 | Very low | 40.7 | Very low | 172 Ų | 172 | 126 Ų | 126 | 80% | 0.804 | 66% | 0.664 | S | S | * | * | S | Bend | trans | -87.7 | -12.8 | 178.4 | -69.5 | -175.5 | 168.2 | 0 | 0 | 113.7 | T208 A209 | T208-E211 PolarHBondContact O-N 2.86Å; A209-E211 VanDerWaalsContact C-N 3.28Å |
| 212 | E | 37.3 | Very low | 39.8 | Very low | 161 Ų | 161 | 127.3 Ų | 127.3 | 75% | 0.752 | 67% | 0.673 | S | S | * | * | trans | -102.5 | 11.4 | -178.8 | -67.4 | -160.6 | 167.6 | 0 | 0 | 114.9 | W214 | E212-W214 PolarHBondContact O-N 2.88Å; E212-W214 VanDerWaalsContact O-N 3.07Å; E212-W214 PolarHBondContact O-NE1 3.25Å | ||
| 213 | E | 37.1 | Very low | 38.8 | Very low | 171 Ų | 171 | 129 Ų | 129 | 80% | 0.799 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -83.5 | 77.1 | 175.5 | -163.8 | 171 | -174.6 | 0 | 0 | 112.1 | ||
| 214 | W | 37.3 | Very low | 38 | Very low | 223 Ų | 223 | 133.7 Ų | 133.7 | 85% | 0.845 | 70% | 0.698 | S | S | * | * | trans | 19.6 | 105.3 | 154.8 | -56 | 88.1 | 0 | 0 | 0 | 119.3 | E212 D216 | E212-W214 PolarHBondContact O-N 2.88Å; E212-W214 VanDerWaalsContact O-N 3.07Å; E212-W214 PolarHBondContact O-NE1 3.25Å; W214-D216 PolarHBondContact O-N 3.14Å | ||
| 215 | E | 30.4 | Very low | 37.1 | Very low | 187 Ų | 187 | 135.7 Ų | 135.7 | 87% | 0.874 | 71% | 0.712 | S | S | * | * | trans | -75.8 | 92.4 | 154.9 | -76.7 | -169.8 | 161.1 | 0 | 0 | 110.1 | V217 | E215-V217 PolarHBondContact O-N 3.2Š| ||
| 216 | D | 36.6 | Very low | 36.7 | Very low | 147 Ų | 147 | 135.6 Ų | 135.6 | 79% | 0.786 | 72% | 0.716 | S | S | * | * | trans | -68.9 | 98.4 | 158.9 | -80.5 | -39.3 | 0 | 0 | 0 | 109 | W214 | W214-D216 PolarHBondContact O-N 3.14Š| ||
| 217 | V | 35.7 | Very low | 36.4 | Very low | 124 Ų | 124 | 137.4 Ų | 137.4 | 75% | 0.752 | 73% | 0.726 | S | S | * | * | trans | -107.6 | 100.7 | 167 | 175.2 | 0 | 0 | 0 | 0 | 109.7 | E215 | E215-V217 PolarHBondContact O-N 3.2Š| ||
| 218 | D | 34.6 | Very low | 36 | Very low | 154 Ų | 154 | 143.8 Ų | 143.8 | 82% | 0.824 | 74% | 0.744 | S | S | * | * | trans | -56.3 | 135.3 | 161.1 | -76.3 | -54.6 | 0 | 0 | 0 | 111.6 | ||||
| 219 | G | 33 | Very low | 35.7 | Very low | 60 Ų | 60 | 146.8 Ų | 146.8 | 62% | 0.619 | 75% | 0.752 | S | S | * | * | trans | 54.2 | 112.6 | 134.6 | 0 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 220 | D | 33.9 | Very low | 35.3 | Very low | 157 Ų | 157 | 151 Ų | 151 | 84% | 0.84 | 76% | 0.761 | S | S | * | * | trans | 74.2 | 100.8 | 139.4 | -46.1 | -27.6 | 0 | 0 | 0 | 119.1 | ||||
| 221 | N | 33.6 | Very low | 34.8 | Very low | 150 Ų | 150 | 151.4 Ų | 151.4 | 80% | 0.802 | 77% | 0.768 | S | S | * | * | 176.5 | 117.4 | 114.2 | -107.7 | -4.3 | 0 | 0 | 0 | 112.7 | |||||
| 222 | D | 35.7 | Very low | 34.3 | Very low | 136 Ų | 136 | 147.6 Ų | 147.6 | 73% | 0.727 | 77% | 0.766 | S | S | * | * | 32.3 | 119.4 | 127.8 | -65.3 | -28.1 | 0 | 0 | 0 | 121.8 | |||||
| 223 | M | 34.8 | Very low | 33.9 | Very low | 161 Ų | 161 | 146.6 Ų | 146.6 | 79% | 0.793 | 77% | 0.766 | S | S | * | * | 78.7 | 137.4 | 122.8 | -72.7 | -153.9 | 173 | 0 | 0 | 122.5 | |||||
| 224 | D | 33.8 | Very low | 33.6 | Very low | 139 Ų | 139 | 147.1 Ų | 147.1 | 74% | 0.743 | 77% | 0.768 | S | S | * | * | trans | 73.4 | 135.6 | 159.1 | -52.7 | -22.6 | 0 | 0 | 0 | 114.9 | ||||
| 225 | D | 34.3 | Very low | 33.5 | Very low | 128 Ų | 128 | 142.2 Ų | 142.2 | 68% | 0.684 | 76% | 0.763 | S | S | * | * | cis | -174 | 144.1 | 29.1 | -150.5 | 6.2 | 0 | 0 | 0 | 109.1 | ||||
| 226 | D | 35.5 | Very low | 33.4 | Very low | 134 Ų | 134 | 142.1 Ų | 142.1 | 72% | 0.717 | 77% | 0.765 | S | S | * | * | trans | 42.6 | 110.5 | 148.3 | -63.3 | -18.1 | 0 | 0 | 0 | 120.1 | ||||
| 227 | D | 36.8 | Very low | 33.2 | Very low | 146 Ų | 146 | 143.9 Ų | 143.9 | 78% | 0.781 | 77% | 0.768 | S | S | * | * | 42.8 | 101.5 | 69.3 | -163 | 31.6 | 0 | 0 | 0 | 113.9 | |||||
| 228 | F | 33.1 | Very low | 32.9 | Very low | 185 Ų | 185 | 147 Ų | 147 | 81% | 0.811 | 78% | 0.775 | S | S | * | * | 177.8 | 136.9 | 124.6 | -164.6 | -111.8 | 0 | 0 | 0 | 111.7 | |||||
| 229 | E | 33.2 | Very low | 32.7 | Very low | 150 Ų | 150 | 147.8 Ų | 147.8 | 70% | 0.701 | 77% | 0.773 | S | S | * | * | trans | -77.4 | 168.3 | -176.5 | -64.8 | -157.9 | 163.7 | 0 | 0 | 115.8 | ||||
| 230 | E | 32.8 | Very low | 32.7 | Very low | 151 Ų | 151 | 154.1 Ų | 154.1 | 71% | 0.706 | 79% | 0.787 | S | S | * | * | 122.9 | 125.7 | 120.6 | -143.2 | 176.7 | -165.5 | 0 | 0 | 116.8 | |||||
| 231 | D | 28.6 | Very low | 32.2 | Very low | 143 Ų | 143 | 150.3 Ų | 150.3 | 77% | 0.765 | 78% | 0.784 | S | S | * | * | trans | 59 | 123.1 | 150.6 | -88.4 | -26.4 | 0 | 0 | 0 | 122 | ||||
| 232 | A | 32.1 | Very low | 32 | Very low | 93 Ų | 93 | 151.9 Ų | 151.9 | 77% | 0.769 | 79% | 0.792 | S | S | * | * | 170 | 138.2 | 95.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 233 | D | 29.7 | Very low | 31.5 | Very low | 139 Ų | 139 | 148.7 Ų | 148.7 | 74% | 0.743 | 79% | 0.792 | S | S | * | * | trans | -53.6 | 136.6 | 165.1 | 179.9 | 20.4 | 0 | 0 | 0 | 112.8 | ||||
| 234 | E | 30.6 | Very low | 31.8 | Very low | 182 Ų | 182 | 146.3 Ų | 146.3 | 85% | 0.85 | 80% | 0.798 | S | S | * | * | trans | -169.2 | 124.4 | 136.1 | -107.6 | -179.2 | -151.6 | 0 | 0 | 113.7 | ||||
| 235 | T | 33.9 | Very low | 31.6 | Very low | 120 Ų | 120 | 144 Ų | 144 | 74% | 0.736 | 80% | 0.798 | S | S | * | * | trans | -53.4 | 131 | 168.6 | -28 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 236 | M | 29.2 | Very low | 31.3 | Very low | 185 Ų | 185 | 143.4 Ų | 143.4 | 91% | 0.911 | 80% | 0.804 | S | S | * | * | trans | -147.9 | 125.8 | 153.1 | -84.2 | -149.7 | -161.1 | 0 | 0 | 112.7 | ||||
| 237 | E | 32.5 | Very low | 30.9 | Very low | 184 Ų | 184 | 141.5 Ų | 141.5 | 86% | 0.86 | 81% | 0.806 | S | S | * | * | trans | -78.7 | 130.4 | 164.8 | -65.8 | 176.1 | 158.2 | 0 | 0 | 110.2 | ||||
| 238 | H | 29.3 | Very low | 30.8 | Very low | 191 Ų | 191 | 138.9 Ų | 138.9 | 88% | 0.884 | 80% | 0.8 | S | S | * | * | trans | -158.6 | 140.3 | 143.9 | -130.9 | -78.6 | 0 | 0 | 0 | 112.4 | ||||
| 239 | E | 30.6 | Very low | 31.1 | Very low | 169 Ų | 169 | 136.2 Ų | 136.2 | 79% | 0.79 | 80% | 0.801 | S | S | * | * | trans | -73.2 | 152.8 | -173.2 | -64.5 | -178.8 | 146.8 | 0 | 0 | 115.7 | ||||
| 240 | E | 32.1 | Very low | 31.2 | Very low | 194 Ų | 194 | 137.2 Ų | 137.2 | 91% | 0.907 | 81% | 0.805 | S | S | * | * | trans | 64.2 | 119.6 | 155.7 | -65.2 | -165.4 | -178.3 | 0 | 0 | 121.7 | ||||
| 241 | G | 24.5 | Very low | 31.8 | Very low | 76 Ų | 76 | 136 Ų | 136 | 78% | 0.784 | 80% | 0.8 | S | S | * | * | trans | 174.4 | 107.6 | 163 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 242 | D | 29.8 | Very low | 32.6 | Very low | 183 Ų | 183 | 133.5 Ų | 133.5 | 98% | 0.979 | 80% | 0.798 | S | S | * | * | trans | -34.4 | 131.8 | 172.7 | -119 | -26.7 | 0 | 0 | 0 | 115.2 | ||||
| 243 | G | 25.1 | Very low | 33.6 | Very low | 69 Ų | 69 | 134.2 Ų | 134.2 | 71% | 0.711 | 79% | 0.793 | S | S | * | * | trans | 177.3 | 102.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | A245 | G243-A245 PolarHBondContact O-N 3.35Š| ||
| 244 | A | 41.1 | Very low | 35.2 | Very low | 111 Ų | 111 | 130.3 Ų | 130.3 | 92% | 0.917 | 77% | 0.772 | S | S | * | * | trans | -54.1 | 127.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 245 | A | 28.8 | Very low | 37 | Very low | 91 Ų | 91 | 127.7 Ų | 127.7 | 75% | 0.752 | 77% | 0.771 | S | S | * | * | trans | -158.4 | 141.3 | 159.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | G243 | G243-A245 PolarHBondContact O-N 3.35Š| ||
| 246 | S | 27.5 | Very low | 39.1 | Very low | 116 Ų | 116 | 124.4 Ų | 124.4 | 81% | 0.811 | 76% | 0.76 | S | S | * | * | trans | 60.4 | 81.4 | 157.4 | 59.3 | 0 | 0 | 0 | 0 | 120.3 | S248 | S246-S248 PolarHBondContact O-N 3.23Š| ||
| 247 | A | 28.2 | Very low | 41.8 | Very low | 93 Ų | 93 | 116.7 Ų | 116.7 | 77% | 0.769 | 73% | 0.727 | S | S | * | * | trans | -78.6 | 107.2 | 153.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 248 | S | 34.8 | Very low | 44.5 | Very low | 92 Ų | 92 | 109 Ų | 109 | 64% | 0.643 | 69% | 0.691 | S | S | * | * | trans | -53.8 | 154.5 | 155.5 | -60.8 | 0 | 0 | 0 | 0 | 110.1 | S246 H250 | S246-S248 PolarHBondContact O-N 3.23Å; S248-H250 PolarHBondContact O-N 2.75Å | ||
| 249 | P | 38.9 | Very low | 47.4 | Very low | 129 Ų | 129 | 102.7 Ų | 102.7 | 84% | 0.838 | 67% | 0.667 | S | S | * | * | trans | -61.7 | 96.1 | -174.2 | 23.1 | -31.9 | 0 | 0 | 0 | 110.5 | H251 | P249-H251 PolarHBondContact O-N 3.06Š| ||
| 250 | H | 35.3 | Very low | 50.3 | Low | 170 Ų | 170 | 96 Ų | 96 | 79% | 0.787 | 64% | 0.638 | S | S | * | * | trans | -65.3 | 106.9 | 172.1 | -92.7 | -91.2 | 0 | 0 | 0 | 107.2 | S248 A252 | S248-H250 PolarHBondContact O-N 2.75Å; H250-A252 PolarHBondContact O-N 2.95Å | ||
| 251 | H | 44.4 | Very low | 53.1 | Low | 127 Ų | 127 | 89 Ų | 89 | 59% | 0.588 | 61% | 0.609 | S | S | * | * | trans | -43.2 | 112.9 | 162.8 | -77 | -54.3 | 0 | 0 | 0 | 108.9 | K200 P249 V253 | K200-H251 PolarHBondContact NZ-CE1 2.99Å; K200-H251 PolarHBondContact NZ-ND1 3.36Å; P249-H251 PolarHBondContact O-N 3.06Å; H251-V253 PolarHBondContact O-N 3.31Å | ||
| 252 | A | 46.2 | Very low | 56.4 | Low | 89 Ų | 89 | 87.7 Ų | 87.7 | 74% | 0.736 | 58% | 0.584 | S | S | * | * | trans | -65.6 | 101.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 108.9 | H250 L254 | H250-A252 PolarHBondContact O-N 2.95Å; A252-L254 PolarHBondContact O-N 3.41Å; A252-L254 VanDerWaalsContact O-N 3.11Å | ||
| 253 | V | 54.3 | Low | 59.5 | Low | 109 Ų | 109 | 79 Ų | 79 | 66% | 0.661 | 54% | 0.538 | S | S | * | . | trans | -59.6 | 115.1 | -179.6 | 178.6 | 0 | 0 | 0 | 0 | 108.9 | H251 A257 | H251-V253 PolarHBondContact O-N 3.31Å; V253-A257 HydrophobicContact CG1-CB 3.68Å | ||
| 254 | L | 62.3 | Low | 62.7 | Low | 56 Ų | 56 | 75.8 Ų | 75.8 | 29% | 0.293 | 50% | 0.504 | S | S | . | . | trans | -62.8 | 142 | 179.8 | -72.2 | 171.7 | 0 | 0 | 0 | 110.9 | A252 G256 A257 A310 | A252-L254 PolarHBondContact O-N 3.41Å; A252-L254 VanDerWaalsContact O-N 3.11Å; L254-G256 PolarHBondContact O-N 3.49Å; L254-A257 PolarHBondContact O-N 2.89Å; L254-A257 VanDerWaalsContact O-N 3.1Å; L254-A310 HydrophobicContact CB-CB 4.25Å | ||
| 255 | P | 69 | Low | 65.2 | Low | 127 Ų | 127 | 70.7 Ų | 70.7 | 83% | 0.825 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | 113.2 | 178 | -21.7 | 31.1 | 0 | 0 | 0 | 111.4 | ||
| 256 | G | 76.6 | Confident | 68.3 | Low | 51 Ų | 51 | 67.4 Ų | 67.4 | 53% | 0.526 | 43% | 0.432 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 105.9 | 6.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | L254 G309 A310 | L254-G256 PolarHBondContact O-N 3.49Å; G256-G309 CarbonylContact O-C 3.56Å; G256-G309 WeakPolarHBondContact O-CA 3.31Å; G256-A310 PolarHBondContact O-N 3.33Å |
| 257 | A | 86.4 | Confident | 71.2 | Confident | 24 Ų | 24 | 67.9 Ų | 67.9 | 20% | 0.198 | 43% | 0.433 | C | S | . | . | P | Polyproline II helix | trans | -63.5 | 137.1 | 168.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | V253 L254 E306 | V253-A257 HydrophobicContact CG1-CB 3.68Å; L254-A257 PolarHBondContact O-N 2.89Å; L254-A257 VanDerWaalsContact O-N 3.1Å; A257-E306 HydrophobicContact CB-CG 3.72Å |
| 258 | I | 89.3 | Confident | 74.3 | Confident | 21 Ų | 21 | 67.4 Ų | 67.4 | 11% | 0.108 | 42% | 0.415 | C | S | . | . | P | Polyproline II helix | trans | -80.4 | 126.9 | 173.7 | -58.2 | 168.3 | 0 | 0 | 0 | 107.6 | D262 L264 G305 V308 | I258-D262 HydrophobicContact CG2-CB 3.61Å; I258-L264 HydrophobicContact CB-CD2 4.4Å; I258-L264 HydrophobicContact CG2-CD2 4.32Å; I258-G305 PolarHBondContact N-O 2.97Å; I258-V308 HydrophobicContact CD1-CB 4.29Å; I258-V308 HydrophobicContact CD1-CG1 4Å |
| 259 | P | 90.2 | Very high | 77.1 | Confident | 59 Ų | 59 | 68.7 Ų | 68.7 | 38% | 0.383 | 41% | 0.41 | S | S | . | . | P | Polyproline II helix | trans | -68.1 | 154.3 | 179.4 | 28.9 | -34 | 0 | 0 | 0 | 110.8 | T261 D262 | P259-T261 PolarHBondContact O-N 2.85Å; P259-D262 HydrophobicContact CG-CB 4.12Å; P259-D262 PolarHBondContact O-N 2.92Å |
| 260 | P | 90.9 | Very high | 79.7 | Confident | 29 Ų | 29 | 63 Ų | 63 | 19% | 0.188 | 37% | 0.373 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -9.3 | -179.7 | 26.1 | -35.6 | 0 | 0 | 0 | 114.1 | L273 N276 I301 | P260-L273 HydrophobicContact CB-CD1 4.04Å; P260-N276 PolarHBondContact O-ND2 2.92Å; P260-I301 HydrophobicContact CB-CG2 4.1Å |
| 261 | T | 92.4 | Very high | 82.2 | Confident | 47 Ų | 47 | 63 Ų | 63 | 29% | 0.288 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | -20.9 | 174.7 | 48.2 | 0 | 0 | 0 | 0 | 113.4 | P259 S270 N276 | P259-T261 PolarHBondContact O-N 2.85Å; T261-S270 WeakPolarHBondContact CB-O 3.49Å; T261-S270 WeakPolarHBondContact O-CA 3.15Å; T261-S270 PolarHBondContact O-N 3.27Å; T261-S270 VanDerWaalsContact O-O 3.11Å; T261-S270 PolarHBondContact O-OG 3.34Å; T261-N276 PolarHBondContact O-ND2 3.31Å |
| 262 | D | 93.8 | Very high | 84.6 | Confident | 49 Ų | 49 | 59.2 Ų | 59.2 | 26% | 0.262 | 36% | 0.361 | S | S | . | . | B | Isolated β-bridge | trans | -96.3 | 143.8 | 176.4 | -107.3 | 5.1 | 0 | 0 | 0 | 112.2 | I258 P259 L264 H269 N276 | I258-D262 HydrophobicContact CG2-CB 3.61Å; P259-D262 HydrophobicContact CG-CB 4.12Å; P259-D262 PolarHBondContact O-N 2.92Å; D262-L264 PolarHBondContact O-N 2.92Å; D262-H269 WeakPolarHBondContact OD1-CA 3.5Å; D262-H269 VanDerWaalsContact OD1-CB 3.23Å; D262-H269 WeakPolarHBondContact OD1-CB 3.13Å; D262-H269 IonicContact OD1-CG 3.36Å; D262-H269 IonicContact OD1-ND1 3.99Å; D262-H269 PolarHBondContact OD1-ND1 3Å; D262-N276 PolarHBondContact N-ND2 2.89Å; D262-N276 PolarHBondContact O-ND2 3.16Å |
| 263 | C | 93.8 | Very high | 86.7 | Confident | 1 Ų | 1 | 56.6 Ų | 56.6 | 1% | 0.007 | 34% | 0.335 | C | S | . | . | trans | -65.5 | 135.1 | 177 | -178.1 | 0 | 0 | 0 | 0 | 111.1 | F265 C266 H268 N276 H279 | C263-F265 PolarHBondContact O-N 3.18Å; C263-C266 VanDerWaalsContact O-O 3.08Å; C263-C266 PolarHBondContact SG-SG 3.34Å; C263-H268 HydrophobicContact CB-CB 4.19Å; C263-H268 WeakPolarHBondContact CB-O 3.23Å; C263-H268 PolarHBondContact N-O 3.4Å; C263-N276 WeakPolarHBondContact CA-OD1 3.41Å; C263-H279 VanDerWaalsContact SG-CD2 3.56Å | ||
| 264 | L | 92.9 | Very high | 88.5 | Confident | 1 Ų | 1 | 57.2 Ų | 57.2 | 1% | 0.005 | 33% | 0.333 | C | S | . | . | S | Bend | trans | -67 | -25.4 | 179.5 | -58.8 | -176.8 | 0 | 0 | 0 | 113.2 | I258 D262 M280 L304 Q331 | I258-L264 HydrophobicContact CB-CD2 4.4Å; I258-L264 HydrophobicContact CG2-CD2 4.32Å; D262-L264 PolarHBondContact O-N 2.92Å; L264-M280 HydrophobicContact CB-CE 3.84Å; L264-M280 HydrophobicContact CD1-CE 3.51Å; L264-M280 HydrophobicContact CG-CE 3.56Å; L264-M280 HydrophobicContact CG-SD 4.25Å; L264-L304 HydrophobicContact CD1-CB 3.71Å; L264-L304 HydrophobicContact CD1-CD1 4.48Å; L264-Q331 WeakPolarHBondContact O-CG 3.31Å; L264-Q331 PolarHBondContact O-NE2 3.23Å |
| 265 | F | 94.1 | Very high | 90 | Very high | 3 Ų | 3 | 61.1 Ų | 61.1 | 1% | 0.013 | 35% | 0.348 | C | S | . | . | S | Bend | trans | -109.5 | -12.2 | -169.2 | -46.6 | -62.8 | 0 | 0 | 0 | 114.4 | C263 M280 H284 F286 L315 M334 C340 | C263-F265 PolarHBondContact O-N 3.18Å; F265-M280 HydrophobicContact CD2-CE 4.08Å; F265-M280 HydrophobicContact CD2-CG 4.41Å; F265-M280 HydrophobicContact CE2-CB 4.38Å; F265-M280 HydrophobicContact CE2-CE 3.36Å; F265-M280 HydrophobicContact CE2-CG 4.37Å; F265-M280 HydrophobicContact CZ-CE 3.9Å; F265-H284 HydrophobicContact CB-CB 4.47Å; F265-H284 HydrophobicContact CD2-CB 3.61Å; F265-H284 AromaticContact CD2-CD2 3.95Å; F265-H284 AromaticContact CD2-CG 3.75Å; F265-H284 HydrophobicContact CE2-CB 4.23Å; F265-H284 HydrophobicContact CG-CB 4.29Å; F265-F286 HydrophobicContact CE2-CB 3.66Å; F265-F286 HydrophobicContact CE2-CD1 4.48Å; F265-F286 AromaticContact CE2-CD2 3.86Å; F265-F286 HydrophobicContact CE2-CD2 3.86Å; F265-F286 AromaticContact CE2-CG 3.75Å; F265-F286 HydrophobicContact CE2-CG 3.75Å; F265-F286 HydrophobicContact CZ-CB 4.2Å; F265-F286 AromaticContact CZ-CD2 3.51Å; F265-F286 HydrophobicContact CZ-CD2 3.51Å; F265-F286 HydrophobicContact CZ-CE2 4.02Å; F265-F286 AromaticContact CZ-CG 3.91Å; F265-F286 HydrophobicContact CZ-CG 3.91Å; F265-L315 HydrophobicContact CE1-CD1 4.16Å; F265-L315 HydrophobicContact CZ-CD1 4.4Å; F265-M334 HydrophobicContact CD1-CB 4.44Å; F265-M334 HydrophobicContact CD1-CE 3.72Å; F265-M334 HydrophobicContact CD1-SD 4.13Å; F265-M334 HydrophobicContact CE1-CE 3.37Å; F265-M334 HydrophobicContact CE1-SD 4.32Å; F265-C340 HydrophobicContact CD1-CB 4.06Å; F265-C340 HydrophobicContact CD2-CB 4.21Å; F265-C340 HydrophobicContact CE1-CB 4.02Å; F265-C340 HydrophobicContact CE2-CB 4.15Å; F265-C340 HydrophobicContact CG-CB 4.16Å; F265-C340 HydrophobicContact CZ-CB 4.06Å |
| 266 | C | 92.1 | Very high | 91.2 | Very high | 22 Ų | 22 | 55.1 Ų | 55.1 | 15% | 0.149 | 31% | 0.309 | C | S | . | . | S | Bend | trans | -151 | 166.1 | -175.6 | 78.3 | 0 | 0 | 0 | 0 | 110.9 | C263 H268 H279 H284 | C263-C266 VanDerWaalsContact O-O 3.08Å; C263-C266 PolarHBondContact SG-SG 3.34Å; C266-H268 PolarHBondContact O-N 3.04Å; C266-H268 WeakPolarHBondContact SG-CB 3.35Å; C266-H279 PolarHBondContact SG-NE2 2.91Å; C266-H284 WeakPolarHBondContact CB-NE2 3.46Å; C266-H284 PolarHBondContact SG-NE2 3.45Å |
| 267 | P | 90.4 | Very high | 91.9 | Very high | 127 Ų | 127 | 54.1 Ų | 54.1 | 83% | 0.825 | 29% | 0.292 | S | S | * | . | S | Bend | trans | -77.2 | 27 | -179.1 | 33.2 | -37 | 0 | 0 | 0 | 113.5 | ||
| 268 | H | 91.9 | Very high | 92.2 | Very high | 83 Ų | 83 | 55 Ų | 55 | 38% | 0.384 | 30% | 0.299 | S | S | . | . | trans | -87.4 | 120.9 | -178.9 | -177.9 | -81.4 | 0 | 0 | 0 | 111.2 | C263 C266 H279 | C263-H268 HydrophobicContact CB-CB 4.19Å; C263-H268 WeakPolarHBondContact CB-O 3.23Å; C263-H268 PolarHBondContact N-O 3.4Å; C266-H268 PolarHBondContact O-N 3.04Å; C266-H268 WeakPolarHBondContact SG-CB 3.35Å; H268-H279 AromaticContact CD2-CE1 3.97Å; H268-H279 AromaticContact CG-CE1 3.65Å; H268-H279 AromaticContact CG-ND1 3.95Å; H268-H279 AromaticContact CG-NE2 3.87Å; H268-H279 AromaticContact ND1-CE1 3.99Å; H268-H279 AromaticContact ND1-CG 3.9Å; H268-H279 AromaticContact ND1-ND1 3.89Å | ||
| 269 | H | 93.9 | Very high | 92.5 | Very high | 119 Ų | 119 | 55.5 Ų | 55.5 | 55% | 0.551 | 30% | 0.301 | S | S | * | . | B | Isolated β-bridge | trans | -91.5 | 138.9 | 173.9 | -171.8 | 66.9 | 0 | 0 | 0 | 112.1 | D262 | D262-H269 WeakPolarHBondContact OD1-CA 3.5Å; D262-H269 VanDerWaalsContact OD1-CB 3.23Å; D262-H269 WeakPolarHBondContact OD1-CB 3.13Å; D262-H269 IonicContact OD1-CG 3.36Å; D262-H269 IonicContact OD1-ND1 3.99Å; D262-H269 PolarHBondContact OD1-ND1 3Å |
| 270 | S | 93.2 | Very high | 92.6 | Very high | 9 Ų | 9 | 52.8 Ų | 52.8 | 6% | 0.063 | 28% | 0.283 | C | S | . | . | trans | -128.6 | 148.3 | 177 | 74.7 | 0 | 0 | 0 | 0 | 111.8 | T261 S272 N276 | T261-S270 WeakPolarHBondContact CB-O 3.49Å; T261-S270 WeakPolarHBondContact O-CA 3.15Å; T261-S270 PolarHBondContact O-N 3.27Å; T261-S270 VanDerWaalsContact O-O 3.11Å; T261-S270 PolarHBondContact O-OG 3.34Å; S270-S272 VanDerWaalsContact C-N 3.3Å; S270-S272 PolarHBondContact O-N 3.37Å; S270-S272 PolarHBondContact OG-O 2.89Å; S270-N276 VanDerWaalsContact OG-CA 3.3Å; S270-N276 WeakPolarHBondContact OG-CA 3.34Å; S270-N276 WeakPolarHBondContact OG-CB 3.38Å; S270-N276 PolarHBondContact OG-N 2.98Å | ||
| 271 | H | 88.9 | Confident | 92.7 | Very high | 171 Ų | 171 | 53.7 Ų | 53.7 | 79% | 0.792 | 29% | 0.288 | S | S | * | . | S | Bend | trans | -76.4 | -12.6 | -175.4 | -168.3 | -70.8 | 0 | 0 | 0 | 113.9 | ||
| 272 | S | 94 | Very high | 92.7 | Very high | 47 Ų | 47 | 60 Ų | 60 | 33% | 0.329 | 31% | 0.311 | S | S | . | . | S | Bend | trans | -152.8 | 146 | -177.5 | 172.6 | 0 | 0 | 0 | 0 | 110.1 | S270 L274 K275 N276 | S270-S272 VanDerWaalsContact C-N 3.3Å; S270-S272 PolarHBondContact O-N 3.37Å; S270-S272 PolarHBondContact OG-O 2.89Å; S272-L274 VanDerWaalsContact C-N 3.27Å; S272-L274 PolarHBondContact O-N 2.76Å; S272-K275 PolarHBondContact O-N 2.96Å; S272-N276 PolarHBondContact O-N 3.34Å |
| 273 | L | 90.8 | Very high | 92.7 | Very high | 34 Ų | 34 | 62 Ų | 62 | 18% | 0.178 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -51.2 | -44.7 | 177.4 | 175.1 | 59 | 0 | 0 | 0 | 112.6 | P260 K275 N276 L277 L297 K298 I301 | P260-L273 HydrophobicContact CB-CD1 4.04Å; L273-K275 VanDerWaalsContact C-N 3.32Å; L273-K275 PolarHBondContact O-N 2.89Å; L273-N276 VanDerWaalsContact O-CB 3.26Å; L273-N276 WeakPolarHBondContact O-CB 3.4Å; L273-N276 PolarHBondContact O-N 3.39Å; L273-L277 PolarHBondContact O-N 2.87Å; L273-L297 HydrophobicContact CD2-CG 4.49Å; L273-K298 HydrophobicContact CD2-CB 4.07Å; L273-K298 HydrophobicContact CD2-CG 4.29Å; L273-I301 HydrophobicContact CD1-CB 4.11Å; L273-I301 HydrophobicContact CD1-CG1 4.13Å; L273-I301 HydrophobicContact CD1-CG2 3.84Å |
| 274 | L | 91.6 | Very high | 92.6 | Very high | 121 Ų | 121 | 63 Ų | 63 | 63% | 0.634 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -65.7 | -35.8 | -179.5 | -64.7 | 175.6 | 0 | 0 | 0 | 112.2 | S272 A278 L297 | S272-L274 VanDerWaalsContact C-N 3.27Å; S272-L274 PolarHBondContact O-N 2.76Å; L274-A278 WeakPolarHBondContact O-CB 3.2Å; L274-A278 PolarHBondContact O-N 2.81Å; L274-L297 HydrophobicContact CD2-CD2 4.37Å |
| 275 | K | 93.6 | Very high | 92.5 | Very high | 138 Ų | 138 | 65.8 Ų | 65.8 | 60% | 0.6 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -71 | -36.2 | 174.6 | -69.6 | -177 | -179.2 | 175.3 | 0 | 111.2 | S272 L273 A278 H279 | S272-K275 PolarHBondContact O-N 2.96Å; L273-K275 VanDerWaalsContact C-N 3.32Å; L273-K275 PolarHBondContact O-N 2.89Å; K275-A278 PolarHBondContact O-N 3.39Å; K275-H279 PolarHBondContact O-N 3.09Å |
| 276 | N | 94 | Very high | 92.4 | Very high | 1 Ų | 1 | 65.7 Ų | 65.7 | 1% | 0.005 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -59 | -53 | 172.6 | -161.1 | -17.1 | 0 | 0 | 0 | 110.8 | P260 T261 D262 C263 S270 S272 L273 A278 H279 M280 | P260-N276 PolarHBondContact O-ND2 2.92Å; T261-N276 PolarHBondContact O-ND2 3.31Å; D262-N276 PolarHBondContact N-ND2 2.89Å; D262-N276 PolarHBondContact O-ND2 3.16Å; C263-N276 WeakPolarHBondContact CA-OD1 3.41Å; S270-N276 VanDerWaalsContact OG-CA 3.3Å; S270-N276 WeakPolarHBondContact OG-CA 3.34Å; S270-N276 WeakPolarHBondContact OG-CB 3.38Å; S270-N276 PolarHBondContact OG-N 2.98Å; S272-N276 PolarHBondContact O-N 3.34Å; L273-N276 VanDerWaalsContact O-CB 3.26Å; L273-N276 WeakPolarHBondContact O-CB 3.4Å; L273-N276 PolarHBondContact O-N 3.39Å; N276-A278 VanDerWaalsContact C-N 3.3Å; N276-A278 PolarHBondContact O-N 3.1Å; N276-H279 CarbonylContact O-C 3.36Å; N276-H279 WeakPolarHBondContact O-CA 3.46Å; N276-H279 WeakPolarHBondContact O-CB 3.45Å; N276-H279 PolarHBondContact O-N 3.45Å; N276-M280 WeakPolarHBondContact O-CG 3.14Å; N276-M280 PolarHBondContact O-N 2.96Å; N276-M280 PolarHBondContact OD1-SD 3.23Å |
| 277 | L | 91.8 | Very high | 92.3 | Very high | 31 Ų | 31 | 71.1 Ų | 71.1 | 16% | 0.162 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -58.4 | -45.3 | 179.8 | -162.2 | 86.3 | 0 | 0 | 0 | 110.6 | L273 H279 M280 T281 F286 L288 I301 | L273-L277 PolarHBondContact O-N 2.87Å; L277-H279 VanDerWaalsContact C-N 3.29Å; L277-H279 PolarHBondContact O-N 3.11Å; L277-M280 PolarHBondContact O-N 2.85Å; L277-M280 VanDerWaalsContact O-N 3.14Å; L277-T281 PolarHBondContact O-N 2.92Å; L277-T281 PolarHBondContact O-OG1 3.43Å; L277-T281 VanDerWaalsContact O-OG1 3.07Å; L277-F286 HydrophobicContact CD1-CE1 4.46Å; L277-L288 HydrophobicContact CD1-CD1 3.91Å; L277-I301 HydrophobicContact CD1-CD1 3.91Å |
| 278 | A | 92.7 | Very high | 92.2 | Very high | 43 Ų | 43 | 66 Ų | 66 | 36% | 0.355 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -60.6 | -36.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | L274 K275 N276 K282 | L274-A278 WeakPolarHBondContact O-CB 3.2Å; L274-A278 PolarHBondContact O-N 2.81Å; K275-A278 PolarHBondContact O-N 3.39Å; N276-A278 VanDerWaalsContact C-N 3.3Å; N276-A278 PolarHBondContact O-N 3.1Å; A278-K282 VanDerWaalsContact O-CB 3.31Å; A278-K282 WeakPolarHBondContact O-CB 3.27Å; A278-K282 WeakPolarHBondContact O-CG 3.37Å; A278-K282 PolarHBondContact O-N 2.58Å; A278-K282 VanDerWaalsContact O-N 3.09Å |
| 279 | H | 94.5 | Very high | 91.9 | Very high | 31 Ų | 31 | 63.9 Ų | 63.9 | 14% | 0.144 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -66.1 | -48.1 | 172.3 | 165.9 | 85.5 | 0 | 0 | 0 | 111.2 | C263 C266 H268 K275 N276 L277 T281 K282 V283 H284 | C263-H279 VanDerWaalsContact SG-CD2 3.56Å; C266-H279 PolarHBondContact SG-NE2 2.91Å; H268-H279 AromaticContact CD2-CE1 3.97Å; H268-H279 AromaticContact CG-CE1 3.65Å; H268-H279 AromaticContact CG-ND1 3.95Å; H268-H279 AromaticContact CG-NE2 3.87Å; H268-H279 AromaticContact ND1-CE1 3.99Å; H268-H279 AromaticContact ND1-CG 3.9Å; H268-H279 AromaticContact ND1-ND1 3.89Å; K275-H279 PolarHBondContact O-N 3.09Å; N276-H279 CarbonylContact O-C 3.36Å; N276-H279 WeakPolarHBondContact O-CA 3.46Å; N276-H279 WeakPolarHBondContact O-CB 3.45Å; N276-H279 PolarHBondContact O-N 3.45Å; L277-H279 VanDerWaalsContact C-N 3.29Å; L277-H279 PolarHBondContact O-N 3.11Å; H279-T281 VanDerWaalsContact C-N 3.33Å; H279-T281 PolarHBondContact O-N 3.17Å; H279-K282 PolarHBondContact O-N 3.17Å; H279-V283 WeakPolarHBondContact O-CB 3.29Å; H279-V283 PolarHBondContact O-N 3.15Å; H279-H284 AromaticContact NE2-CD2 3.84Å; H279-H284 AromaticContact NE2-NE2 3.66Å |
| 280 | M | 92.8 | Very high | 91.3 | Very high | 1 Ų | 1 | 62.8 Ų | 62.8 | 1% | 0.005 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -60 | -41.2 | 179.2 | -68.2 | 170.9 | 66 | 0 | 0 | 112 | L264 F265 N276 L277 H284 S285 F286 | L264-M280 HydrophobicContact CB-CE 3.84Å; L264-M280 HydrophobicContact CD1-CE 3.51Å; L264-M280 HydrophobicContact CG-CE 3.56Å; L264-M280 HydrophobicContact CG-SD 4.25Å; F265-M280 HydrophobicContact CD2-CE 4.08Å; F265-M280 HydrophobicContact CD2-CG 4.41Å; F265-M280 HydrophobicContact CE2-CB 4.38Å; F265-M280 HydrophobicContact CE2-CE 3.36Å; F265-M280 HydrophobicContact CE2-CG 4.37Å; F265-M280 HydrophobicContact CZ-CE 3.9Å; N276-M280 WeakPolarHBondContact O-CG 3.14Å; N276-M280 PolarHBondContact O-N 2.96Å; N276-M280 PolarHBondContact OD1-SD 3.23Å; L277-M280 PolarHBondContact O-N 2.85Å; L277-M280 VanDerWaalsContact O-N 3.14Å; M280-H284 CarbonylContact O-C 3.59Å; M280-H284 WeakPolarHBondContact O-CA 3.45Å; M280-H284 WeakPolarHBondContact O-CB 3.27Å; M280-H284 PolarHBondContact O-N 3.28Å; M280-S285 PolarHBondContact O-N 3.02Å; M280-S285 VanDerWaalsContact O-N 3.14Å; M280-F286 HydrophobicContact CB-CB 4.05Å; M280-F286 HydrophobicContact CB-CD1 4.24Å; M280-F286 HydrophobicContact CE-CD1 3.62Å; M280-F286 HydrophobicContact CE-CE1 3.84Å; M280-F286 HydrophobicContact CE-CG 4.07Å; M280-F286 HydrophobicContact CE-CZ 4.47Å; M280-F286 PolarHBondContact O-N 3Å; M280-F286 VanDerWaalsContact O-N 3.12Å |
| 281 | T | 93.1 | Very high | 90.9 | Very high | 48 Ų | 48 | 67.1 Ų | 67.1 | 29% | 0.294 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -69.4 | -38 | 176.2 | -55.3 | 0 | 0 | 0 | 0 | 112.2 | L277 H279 S285 F286 F287 | L277-T281 PolarHBondContact O-N 2.92Å; L277-T281 PolarHBondContact O-OG1 3.43Å; L277-T281 VanDerWaalsContact O-OG1 3.07Å; H279-T281 VanDerWaalsContact C-N 3.33Å; H279-T281 PolarHBondContact O-N 3.17Å; T281-S285 VanDerWaalsContact O-CA 3.3Å; T281-S285 WeakPolarHBondContact O-CA 3.18Å; T281-S285 PolarHBondContact O-N 3.25Å; T281-F286 WeakPolarHBondContact CA-O 3.32Å; T281-F286 WeakPolarHBondContact CB-O 3.38Å; T281-F286 PolarHBondContact OG1-O 3.09Å; T281-F287 HydrophobicContact CG2-CD1 4.25Å; T281-F287 HydrophobicContact CG2-CE1 3.79Å; T281-F287 HydrophobicContact CG2-CZ 4.14Å |
| 282 | K | 92.9 | Very high | 90.6 | Very high | 179 Ų | 179 | 67.3 Ų | 67.3 | 78% | 0.778 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -78.6 | -45 | -178.5 | -73.9 | 176.6 | -178.8 | -179.8 | 0 | 113.9 | A278 H279 | A278-K282 VanDerWaalsContact O-CB 3.31Å; A278-K282 WeakPolarHBondContact O-CB 3.27Å; A278-K282 WeakPolarHBondContact O-CG 3.37Å; A278-K282 PolarHBondContact O-N 2.58Å; A278-K282 VanDerWaalsContact O-N 3.09Å; H279-K282 PolarHBondContact O-N 3.17Å |
| 283 | V | 93.4 | Very high | 90.1 | Very high | 91 Ų | 91 | 67.3 Ų | 67.3 | 55% | 0.552 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -89.9 | -39.2 | -172.9 | 179.5 | 0 | 0 | 0 | 0 | 111.3 | H279 | H279-V283 WeakPolarHBondContact O-CB 3.29Å; H279-V283 PolarHBondContact O-N 3.15Å |
| 284 | H | 92.2 | Very high | 89.9 | Confident | 23 Ų | 23 | 66.9 Ų | 66.9 | 11% | 0.106 | 34% | 0.343 | C | S | . | . | S | Bend | trans | -109.5 | 1.7 | -173.6 | -59.7 | -68.7 | 0 | 0 | 0 | 113.5 | F265 C266 H279 M280 F286 C340 | F265-H284 HydrophobicContact CB-CB 4.47Å; F265-H284 HydrophobicContact CD2-CB 3.61Å; F265-H284 AromaticContact CD2-CD2 3.95Å; F265-H284 AromaticContact CD2-CG 3.75Å; F265-H284 HydrophobicContact CE2-CB 4.23Å; F265-H284 HydrophobicContact CG-CB 4.29Å; C266-H284 WeakPolarHBondContact CB-NE2 3.46Å; C266-H284 PolarHBondContact SG-NE2 3.45Å; H279-H284 AromaticContact NE2-CD2 3.84Å; H279-H284 AromaticContact NE2-NE2 3.66Å; M280-H284 CarbonylContact O-C 3.59Å; M280-H284 WeakPolarHBondContact O-CA 3.45Å; M280-H284 WeakPolarHBondContact O-CB 3.27Å; M280-H284 PolarHBondContact O-N 3.28Å; H284-F286 PolarHBondContact O-N 3.03Å; H284-C340 HydrophobicContact CB-CB 4.12Å; H284-C340 WeakPolarHBondContact O-CB 3.42Å |
| 285 | S | 89.9 | Confident | 89.6 | Confident | 60 Ų | 60 | 67.2 Ų | 67.2 | 42% | 0.42 | 34% | 0.344 | S | S | . | . | trans | 51.9 | 35.3 | -177.1 | 61.6 | 0 | 0 | 0 | 0 | 113 | M280 T281 F287 | M280-S285 PolarHBondContact O-N 3.02Å; M280-S285 VanDerWaalsContact O-N 3.14Å; T281-S285 VanDerWaalsContact O-CA 3.3Å; T281-S285 WeakPolarHBondContact O-CA 3.18Å; T281-S285 PolarHBondContact O-N 3.25Å; S285-F287 WeakPolarHBondContact O-CD2 3.37Å; S285-F287 WeakPolarHBondContact O-CE2 3.37Å | ||
| 286 | F | 92.3 | Very high | 89.3 | Confident | 0 Ų | 0 | 64.3 Ų | 64.3 | 0% | 0 | 34% | 0.335 | C | S | . | . | trans | -77.1 | 124.7 | 176.1 | 179.9 | -109.6 | 0 | 0 | 0 | 110.2 | F265 L277 M280 T281 H284 L288 I301 L304 C340 L342 | F265-F286 HydrophobicContact CE2-CB 3.66Å; F265-F286 HydrophobicContact CE2-CD1 4.48Å; F265-F286 AromaticContact CE2-CD2 3.86Å; F265-F286 HydrophobicContact CE2-CD2 3.86Å; F265-F286 AromaticContact CE2-CG 3.75Å; F265-F286 HydrophobicContact CE2-CG 3.75Å; F265-F286 HydrophobicContact CZ-CB 4.2Å; F265-F286 AromaticContact CZ-CD2 3.51Å; F265-F286 HydrophobicContact CZ-CD2 3.51Å; F265-F286 HydrophobicContact CZ-CE2 4.02Å; F265-F286 AromaticContact CZ-CG 3.91Å; F265-F286 HydrophobicContact CZ-CG 3.91Å; L277-F286 HydrophobicContact CD1-CE1 4.46Å; M280-F286 HydrophobicContact CB-CB 4.05Å; M280-F286 HydrophobicContact CB-CD1 4.24Å; M280-F286 HydrophobicContact CE-CD1 3.62Å; M280-F286 HydrophobicContact CE-CE1 3.84Å; M280-F286 HydrophobicContact CE-CG 4.07Å; M280-F286 HydrophobicContact CE-CZ 4.47Å; M280-F286 PolarHBondContact O-N 3Å; M280-F286 VanDerWaalsContact O-N 3.12Å; T281-F286 WeakPolarHBondContact CA-O 3.32Å; T281-F286 WeakPolarHBondContact CB-O 3.38Å; T281-F286 PolarHBondContact OG1-O 3.09Å; H284-F286 PolarHBondContact O-N 3.03Å; F286-L288 HydrophobicContact CE1-CD2 3.61Å; F286-L288 HydrophobicContact CE1-CG 3.84Å; F286-L288 HydrophobicContact CZ-CD2 3.49Å; F286-L288 VanDerWaalsContact CZ-CD2 3.49Å; F286-L288 HydrophobicContact CZ-CG 4.21Å; F286-I301 HydrophobicContact CE1-CD1 4.34Å; F286-L304 HydrophobicContact CZ-CD1 3.95Å; F286-C340 WeakPolarHBondContact CA-O 3.49Å; F286-C340 WeakPolarHBondContact CD2-O 3.49Å; F286-L342 HydrophobicContact CE2-CB 4.4Å | ||
| 287 | F | 90.1 | Very high | 89.1 | Confident | 136 Ų | 136 | 66.2 Ų | 66.2 | 60% | 0.596 | 35% | 0.345 | S | S | * | . | trans | -123.3 | 135.3 | 177.8 | -68.5 | -80.7 | 0 | 0 | 0 | 109.4 | T281 S285 | T281-F287 HydrophobicContact CG2-CD1 4.25Å; T281-F287 HydrophobicContact CG2-CE1 3.79Å; T281-F287 HydrophobicContact CG2-CZ 4.14Å; S285-F287 WeakPolarHBondContact O-CD2 3.37Å; S285-F287 WeakPolarHBondContact O-CE2 3.37Å | ||
| 288 | L | 88.3 | Confident | 88.9 | Confident | 20 Ų | 20 | 71.3 Ų | 71.3 | 11% | 0.105 | 37% | 0.366 | C | S | . | . | trans | -93.1 | 124.8 | 170 | -68.8 | 175.2 | 0 | 0 | 0 | 108 | L277 F286 L291 L294 L297 L300 I301 | L277-L288 HydrophobicContact CD1-CD1 3.91Å; F286-L288 HydrophobicContact CE1-CD2 3.61Å; F286-L288 HydrophobicContact CE1-CG 3.84Å; F286-L288 HydrophobicContact CZ-CD2 3.49Å; F286-L288 VanDerWaalsContact CZ-CD2 3.49Å; F286-L288 HydrophobicContact CZ-CG 4.21Å; L288-L291 HydrophobicContact CB-CD2 3.66Å; L288-L291 HydrophobicContact CB-CG 4.08Å; L288-L291 HydrophobicContact CD1-CD2 3.86Å; L288-L291 HydrophobicContact CG-CD2 4.4Å; L288-L294 HydrophobicContact CD1-CD2 4.47Å; L288-L297 HydrophobicContact CD1-CD1 3.5Å; L288-L297 VanDerWaalsContact CD1-CD1 3.5Å; L288-L300 HydrophobicContact CD2-CD2 3.9Å; L288-I301 HydrophobicContact CD1-CD1 4.48Å | ||
| 289 | P | 85.7 | Confident | 88.8 | Confident | 38 Ų | 38 | 70.1 Ų | 70.1 | 25% | 0.247 | 36% | 0.358 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60 | 149.7 | 170.1 | -25 | 38.3 | 0 | 0 | 0 | 111 | L291 T344 Y356 | P289-L291 VanDerWaalsContact C-N 3.31Å; P289-L291 PolarHBondContact O-N 2.88Å; P289-L291 VanDerWaalsContact O-N 3.08Å; P289-T344 HydrophobicContact CG-CG2 3.78Å; P289-Y356 WeakPolarHBondContact O-CE1 3.46Å; P289-Y356 PolarHBondContact O-OH 3.47Å |
| 290 | D | 81.6 | Confident | 88.7 | Confident | 96 Ų | 96 | 68.7 Ų | 68.7 | 51% | 0.513 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 48.5 | 45.6 | 163.3 | -56.5 | -28.6 | 0 | 0 | 0 | 115.6 | E292 F293 Y356 F358 | D290-E292 PolarHBondContact O-N 3.11Å; D290-F293 HydrophobicContact CB-CD2 4.09Å; D290-F293 PolarHBondContact O-N 3.4Å; D290-Y356 HydrophobicContact CB-CE1 4.26Å; D290-F358 HydrophobicContact CB-CE1 4.43Å |
| 291 | L | 84.6 | Confident | 88.6 | Confident | 100 Ų | 100 | 68.7 Ų | 68.7 | 52% | 0.524 | 35% | 0.351 | S | S | . | . | G | 310 helix | trans | -53.4 | -23.9 | 179.8 | -78.6 | 170.8 | 0 | 0 | 0 | 114.3 | L288 P289 F293 L294 | L288-L291 HydrophobicContact CB-CD2 3.66Å; L288-L291 HydrophobicContact CB-CG 4.08Å; L288-L291 HydrophobicContact CD1-CD2 3.86Å; L288-L291 HydrophobicContact CG-CD2 4.4Å; P289-L291 VanDerWaalsContact C-N 3.31Å; P289-L291 PolarHBondContact O-N 2.88Å; P289-L291 VanDerWaalsContact O-N 3.08Å; L291-F293 VanDerWaalsContact C-N 3.29Å; L291-F293 PolarHBondContact O-N 3.39Å; L291-L294 HydrophobicContact CD2-CD2 4.27Å |
| 292 | E | 82.6 | Confident | 88.6 | Confident | 175 Ų | 175 | 68.5 Ų | 68.5 | 82% | 0.818 | 35% | 0.351 | S | S | * | . | G | 310 helix | trans | -67.9 | -28.2 | 179.2 | -64.4 | 176.7 | -176.1 | 0 | 0 | 112.6 | D290 | D290-E292 PolarHBondContact O-N 3.11Š|
| 293 | F | 84.6 | Confident | 88.5 | Confident | 48 Ų | 48 | 61.6 Ų | 61.6 | 21% | 0.211 | 32% | 0.32 | C | S | . | . | G | 310 helix | trans | -103.3 | 6.4 | -177.2 | -53.5 | -57.5 | 0 | 0 | 0 | 112.8 | D290 L291 I295 Y356 D357 F358 T360 S361 | D290-F293 HydrophobicContact CB-CD2 4.09Å; D290-F293 PolarHBondContact O-N 3.4Å; L291-F293 VanDerWaalsContact C-N 3.29Å; L291-F293 PolarHBondContact O-N 3.39Å; F293-I295 PolarHBondContact O-N 3.33Å; F293-Y356 HydrophobicContact CB-CD1 4.38Å; F293-Y356 CarbonylContact O-C 3.35Å; F293-Y356 WeakPolarHBondContact O-CA 3.37Å; F293-D357 PolarHBondContact O-N 3.22Å; F293-F358 HydrophobicContact CB-CD1 4.05Å; F293-F358 HydrophobicContact CB-CE1 4.09Å; F293-F358 AromaticContact CD2-CD1 3.93Å; F293-F358 HydrophobicContact CD2-CD1 3.93Å; F293-F358 AromaticContact CD2-CE1 3.94Å; F293-F358 HydrophobicContact CD2-CE1 3.94Å; F293-F358 HydrophobicContact CG-CD1 4.03Å; F293-F358 HydrophobicContact CG-CE1 4.28Å; F293-T360 WeakPolarHBondContact CD1-OG1 3.21Å; F293-S361 WeakPolarHBondContact CD1-OG 3.36Å; F293-S361 WeakPolarHBondContact CE1-OG 3.38Å; F293-S361 WeakPolarHBondContact CE2-OG 3.26Å; F293-S361 WeakPolarHBondContact CZ-OG 3.44Å |
| 294 | L | 86.1 | Confident | 88.4 | Confident | 25 Ų | 25 | 57.2 Ų | 57.2 | 13% | 0.131 | 29% | 0.294 | C | S | . | . | B | Isolated β-bridge | trans | -87 | 104.4 | -177.8 | -172.2 | 80.3 | 0 | 0 | 0 | 110.7 | L288 L291 L297 L300 F355 Y356 | L288-L294 HydrophobicContact CD1-CD2 4.47Å; L291-L294 HydrophobicContact CD2-CD2 4.27Å; L294-L297 HydrophobicContact CD2-CB 3.76Å; L294-L297 HydrophobicContact CD2-CD1 3.5Å; L294-L297 HydrophobicContact CD2-CG 4.22Å; L294-L300 HydrophobicContact CD1-CB 4.45Å; L294-L300 HydrophobicContact CD1-CD2 3.64Å; L294-L300 HydrophobicContact CD2-CD2 4.33Å; L294-F355 HydrophobicContact CD1-CB 4.24Å; L294-Y356 HydrophobicContact CB-CD1 4.27Å; L294-Y356 HydrophobicContact CB-CE1 4.05Å; L294-Y356 HydrophobicContact CD1-CD1 4.06Å; L294-Y356 HydrophobicContact CD1-CD2 4Å; L294-Y356 HydrophobicContact CD1-CE1 3.67Å; L294-Y356 HydrophobicContact CD1-CE2 3.61Å; L294-Y356 HydrophobicContact CD1-CG 4.21Å; L294-Y356 VanDerWaalsContact CD1-CZ 3.44Å; L294-Y356 HydrophobicContact CG-CE1 4.47Å |
| 295 | I | 85.3 | Confident | 88.4 | Confident | 128 Ų | 128 | 56.1 Ų | 56.1 | 66% | 0.656 | 29% | 0.289 | S | S | * | . | S | Bend | trans | -72.4 | -46.3 | 176.6 | -60.9 | -178.2 | 0 | 0 | 0 | 110.5 | F293 F355 D357 | F293-I295 PolarHBondContact O-N 3.33Å; I295-F355 PolarHBondContact N-O 2.87Å; I295-D357 HydrophobicContact CD1-CB 3.22Å; I295-D357 HydrophobicContact CG1-CB 3.71Å |
| 296 | N | 87.1 | Confident | 88.5 | Confident | 77 Ų | 77 | 54.2 Ų | 54.2 | 41% | 0.412 | 27% | 0.274 | S | S | . | . | trans | -118.2 | 77 | -169.2 | -164.9 | -8.8 | 0 | 0 | 0 | 113.1 | K298 G299 L300 F355 | N296-K298 VanDerWaalsContact C-N 3.29Å; N296-K298 PolarHBondContact O-N 3.49Å; N296-K298 PolarHBondContact OD1-N 2.84Å; N296-G299 PolarHBondContact O-N 2.99Å; N296-G299 PolarHBondContact OD1-N 3.35Å; N296-L300 PolarHBondContact O-N 3.09Å; N296-L300 VanDerWaalsContact O-N 3.08Å; N296-F355 HydrophobicContact CB-CD1 4.44Å | ||
| 297 | L | 88.8 | Confident | 88.4 | Confident | 40 Ų | 40 | 54.6 Ų | 54.6 | 21% | 0.209 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -58.7 | -39.4 | 175.3 | 179.6 | 64.2 | 0 | 0 | 0 | 112.8 | L273 L274 L288 L294 I301 | L273-L297 HydrophobicContact CD2-CG 4.49Å; L274-L297 HydrophobicContact CD2-CD2 4.37Å; L288-L297 HydrophobicContact CD1-CD1 3.5Å; L288-L297 VanDerWaalsContact CD1-CD1 3.5Å; L294-L297 HydrophobicContact CD2-CB 3.76Å; L294-L297 HydrophobicContact CD2-CD1 3.5Å; L294-L297 HydrophobicContact CD2-CG 4.22Å; L297-I301 HydrophobicContact CD1-CG1 4.16Å; L297-I301 VanDerWaalsContact O-CG1 3.3Å; L297-I301 WeakPolarHBondContact O-CG1 3.37Å; L297-I301 PolarHBondContact O-N 3.38Å; L297-I301 VanDerWaalsContact O-N 3.11Å |
| 298 | K | 89.5 | Confident | 88.5 | Confident | 138 Ų | 138 | 48.1 Ų | 48.1 | 60% | 0.6 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -67.2 | -44.9 | -178 | -173.3 | -177.9 | 176.5 | -171.6 | 0 | 110.7 | L273 N296 I301 C302 | L273-K298 HydrophobicContact CD2-CB 4.07Å; L273-K298 HydrophobicContact CD2-CG 4.29Å; N296-K298 VanDerWaalsContact C-N 3.29Å; N296-K298 PolarHBondContact O-N 3.49Å; N296-K298 PolarHBondContact OD1-N 2.84Å; K298-I301 PolarHBondContact O-N 2.98Å; K298-C302 WeakPolarHBondContact O-CB 3.26Å; K298-C302 PolarHBondContact O-N 3.32Å; K298-C302 PolarHBondContact O-SG 2.79Å |
| 299 | G | 90.3 | Very high | 88.6 | Confident | 19 Ų | 19 | 47.2 Ų | 47.2 | 20% | 0.196 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -59.8 | -48.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | N296 I301 C302 Y303 | N296-G299 PolarHBondContact O-N 2.99Å; N296-G299 PolarHBondContact OD1-N 3.35Å; G299-I301 PolarHBondContact O-N 3.18Å; G299-C302 PolarHBondContact O-N 3.1Å; G299-Y303 WeakPolarHBondContact O-CB 3.39Å; G299-Y303 PolarHBondContact O-N 3.32Å |
| 300 | L | 90.9 | Very high | 88.7 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -58.7 | -46.7 | 178.4 | -178.3 | 63.9 | 0 | 0 | 0 | 111.7 | L288 L294 N296 Y303 L304 F352 F355 Y356 | L288-L300 HydrophobicContact CD2-CD2 3.9Å; L294-L300 HydrophobicContact CD1-CB 4.45Å; L294-L300 HydrophobicContact CD1-CD2 3.64Å; L294-L300 HydrophobicContact CD2-CD2 4.33Å; N296-L300 PolarHBondContact O-N 3.09Å; N296-L300 VanDerWaalsContact O-N 3.08Å; L300-Y303 PolarHBondContact O-N 3.05Å; L300-L304 HydrophobicContact CD1-CG 4.48Å; L300-L304 HydrophobicContact CG-CD1 4.26Å; L300-L304 VanDerWaalsContact O-CG 3.26Å; L300-L304 WeakPolarHBondContact O-CG 3.5Å; L300-L304 PolarHBondContact O-N 3.48Å; L300-F352 HydrophobicContact CD1-CD1 3.83Å; L300-F355 HydrophobicContact CB-CB 4.28Å; L300-F355 HydrophobicContact CB-CD1 4.29Å; L300-F355 HydrophobicContact CB-CG 4.11Å; L300-F355 HydrophobicContact CD1-CB 4.46Å; L300-F355 HydrophobicContact CD1-CD2 3.83Å; L300-F355 HydrophobicContact CD1-CE2 4.36Å; L300-F355 HydrophobicContact CD1-CG 4.2Å; L300-Y356 HydrophobicContact CD2-CE2 4.27Å |
| 301 | I | 92.2 | Very high | 88.9 | Confident | 2 Ų | 2 | 41.7 Ų | 41.7 | 1% | 0.01 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -68 | -38.3 | -179.6 | -63.7 | -66 | 0 | 0 | 0 | 111.8 | P260 L273 L277 F286 L288 L297 K298 G299 L304 G305 | P260-I301 HydrophobicContact CB-CG2 4.1Å; L273-I301 HydrophobicContact CD1-CB 4.11Å; L273-I301 HydrophobicContact CD1-CG1 4.13Å; L273-I301 HydrophobicContact CD1-CG2 3.84Å; L277-I301 HydrophobicContact CD1-CD1 3.91Å; F286-I301 HydrophobicContact CE1-CD1 4.34Å; L288-I301 HydrophobicContact CD1-CD1 4.48Å; L297-I301 HydrophobicContact CD1-CG1 4.16Å; L297-I301 VanDerWaalsContact O-CG1 3.3Å; L297-I301 WeakPolarHBondContact O-CG1 3.37Å; L297-I301 PolarHBondContact O-N 3.38Å; L297-I301 VanDerWaalsContact O-N 3.11Å; K298-I301 PolarHBondContact O-N 2.98Å; G299-I301 PolarHBondContact O-N 3.18Å; I301-L304 HydrophobicContact CD1-CD1 4.38Å; I301-L304 PolarHBondContact O-N 2.91Å; I301-G305 PolarHBondContact O-N 2.84Å |
| 302 | C | 91.6 | Very high | 89.2 | Confident | 43 Ų | 43 | 39.2 Ų | 39.2 | 29% | 0.291 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -60.1 | -46.1 | 173.1 | -73.4 | 0 | 0 | 0 | 0 | 111.4 | K298 G299 L304 G305 E306 | K298-C302 WeakPolarHBondContact O-CB 3.26Å; K298-C302 PolarHBondContact O-N 3.32Å; K298-C302 PolarHBondContact O-SG 2.79Å; G299-C302 PolarHBondContact O-N 3.1Å; C302-L304 PolarHBondContact O-N 3.45Å; C302-G305 CarbonylContact O-C 3.57Å; C302-G305 WeakPolarHBondContact O-CA 3.35Å; C302-G305 PolarHBondContact O-N 3.41Å; C302-G305 VanDerWaalsContact O-N 3.09Å; C302-E306 PolarHBondContact O-N 2.9Å |
| 303 | Y | 91.3 | Very high | 89.4 | Confident | 34 Ų | 34 | 31.1 Ų | 31.1 | 13% | 0.133 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -61.1 | -43.9 | 177.1 | 177.3 | -100.2 | 0 | 0 | 0 | 112.3 | W193 G299 L300 G305 E306 K307 F352 F355 | W193-Y303 HydrophobicContact CH2-CE2 4.31Å; W193-Y303 HydrophobicContact CZ2-CE2 4.16Å; G299-Y303 WeakPolarHBondContact O-CB 3.39Å; G299-Y303 PolarHBondContact O-N 3.32Å; L300-Y303 PolarHBondContact O-N 3.05Å; Y303-G305 VanDerWaalsContact C-N 3.27Å; Y303-G305 PolarHBondContact O-N 3.28Å; Y303-E306 WeakPolarHBondContact O-CB 3.32Å; Y303-E306 PolarHBondContact O-N 3.2Å; Y303-E306 VanDerWaalsContact O-N 3.16Å; Y303-K307 HydrophobicContact CE1-CD 4.18Å; Y303-K307 PolarHBondContact O-N 2.98Å; Y303-F352 HydrophobicContact CD1-CD1 4.34Å; Y303-F352 HydrophobicContact CD1-CE1 4.06Å; Y303-F352 HydrophobicContact CE1-CD1 4.17Å; Y303-F352 AromaticContact CE1-CE1 3.72Å; Y303-F352 HydrophobicContact CE1-CE1 3.72Å; Y303-F355 HydrophobicContact CD1-CE2 4.43Å; Y303-F355 HydrophobicContact CG-CE2 4.31Å; Y303-F355 HydrophobicContact CG-CZ 4.28Å |
| 304 | L | 91.6 | Very high | 89.8 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -63.5 | -35.3 | 174.4 | -64.7 | 176.4 | 0 | 0 | 0 | 111.9 | L264 F286 L300 I301 C302 K307 V308 L315 L342 F352 | L264-L304 HydrophobicContact CD1-CB 3.71Å; L264-L304 HydrophobicContact CD1-CD1 4.48Å; F286-L304 HydrophobicContact CZ-CD1 3.95Å; L300-L304 HydrophobicContact CD1-CG 4.48Å; L300-L304 HydrophobicContact CG-CD1 4.26Å; L300-L304 VanDerWaalsContact O-CG 3.26Å; L300-L304 WeakPolarHBondContact O-CG 3.5Å; L300-L304 PolarHBondContact O-N 3.48Å; I301-L304 HydrophobicContact CD1-CD1 4.38Å; I301-L304 PolarHBondContact O-N 2.91Å; C302-L304 PolarHBondContact O-N 3.45Å; L304-K307 PolarHBondContact O-N 2.87Å; L304-V308 WeakPolarHBondContact O-CG2 3.32Å; L304-V308 PolarHBondContact O-N 3.37Å; L304-L315 HydrophobicContact CD2-CD1 4.18Å; L304-L315 HydrophobicContact CD2-CD2 3.68Å; L304-L342 HydrophobicContact CD1-CD1 4.4Å; L304-L342 HydrophobicContact CD2-CD1 3.59Å; L304-F352 HydrophobicContact CD2-CE1 3.94Å; L304-F352 HydrophobicContact CD2-CZ 4.45Å |
| 305 | G | 92.6 | Very high | 89.9 | Confident | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -62.3 | -38.8 | 171.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | I258 I301 C302 Y303 G309 | I258-G305 PolarHBondContact N-O 2.97Å; I301-G305 PolarHBondContact O-N 2.84Å; C302-G305 CarbonylContact O-C 3.57Å; C302-G305 WeakPolarHBondContact O-CA 3.35Å; C302-G305 PolarHBondContact O-N 3.41Å; C302-G305 VanDerWaalsContact O-N 3.09Å; Y303-G305 VanDerWaalsContact C-N 3.27Å; Y303-G305 PolarHBondContact O-N 3.28Å; G305-G309 WeakPolarHBondContact O-CA 3.35Å; G305-G309 PolarHBondContact O-N 3.42Å |
| 306 | E | 90.9 | Very high | 90.1 | Very high | 20 Ų | 20 | 26.4 Ų | 26.4 | 9% | 0.093 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -67.6 | -44.3 | 172.1 | -69.5 | -176.3 | 176.6 | 0 | 0 | 111.6 | A257 C302 Y303 V308 A310 G311 | A257-E306 HydrophobicContact CB-CG 3.72Å; C302-E306 PolarHBondContact O-N 2.9Å; Y303-E306 WeakPolarHBondContact O-CB 3.32Å; Y303-E306 PolarHBondContact O-N 3.2Å; Y303-E306 VanDerWaalsContact O-N 3.16Å; E306-V308 PolarHBondContact O-N 3.23Å; E306-A310 WeakPolarHBondContact O-CA 3.12Å; E306-A310 WeakPolarHBondContact O-CB 3.38Å; E306-A310 PolarHBondContact O-N 3.24Å; E306-G311 PolarHBondContact O-N 3.13Å |
| 307 | K | 90.6 | Very high | 90 | Very high | 7 Ų | 7 | 24.1 Ų | 24.1 | 3% | 0.03 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -63 | -41.6 | -178.9 | -163.9 | 165.1 | -168.9 | 165.9 | 0 | 112.5 | W193 Y303 L304 G311 K312 V313 L315 E351 | W193-K307 HydrophobicContact CH2-CB 4.11Å; W193-K307 HydrophobicContact CH2-CD 4.02Å; W193-K307 HydrophobicContact CH2-CG 3.77Å; W193-K307 HydrophobicContact CZ2-CB 3.92Å; W193-K307 HydrophobicContact CZ2-CG 4.09Å; W193-K307 HydrophobicContact CZ3-CG 4.24Å; Y303-K307 HydrophobicContact CE1-CD 4.18Å; Y303-K307 PolarHBondContact O-N 2.98Å; L304-K307 PolarHBondContact O-N 2.87Å; K307-G311 CarbonylContact O-C 3.42Å; K307-G311 WeakPolarHBondContact O-CA 3.41Å; K307-K312 PolarHBondContact O-N 3.27Å; K307-K312 VanDerWaalsContact O-N 3.17Å; K307-V313 HydrophobicContact CG-CB 4.36Å; K307-V313 PolarHBondContact O-N 3.37Å; K307-V313 VanDerWaalsContact O-N 3.11Å; K307-L315 HydrophobicContact CB-CD2 4.31Å; K307-L315 HydrophobicContact CD-CD2 3.94Å; K307-L315 HydrophobicContact CG-CD2 4.15Å; K307-E351 IonicContact NZ-OE2 2.84Å; K307-E351 PolarHBondContact NZ-OE2 2.97Å |
| 308 | V | 92.1 | Very high | 89.2 | Confident | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -81 | -41.7 | 177.8 | 179.3 | 0 | 0 | 0 | 0 | 111.8 | I258 L304 E306 K312 L315 V330 M334 | I258-V308 HydrophobicContact CD1-CB 4.29Å; I258-V308 HydrophobicContact CD1-CG1 4Å; L304-V308 WeakPolarHBondContact O-CG2 3.32Å; L304-V308 PolarHBondContact O-N 3.37Å; E306-V308 PolarHBondContact O-N 3.23Å; V308-K312 VanDerWaalsContact O-CA 3.27Å; V308-K312 WeakPolarHBondContact O-CA 3.43Å; V308-K312 PolarHBondContact O-N 3.01Å; V308-L315 HydrophobicContact CG2-CD1 4.16Å; V308-L315 HydrophobicContact CG2-CD2 3.88Å; V308-L315 HydrophobicContact CG2-CG 3.85Å; V308-V330 HydrophobicContact CG1-CG1 4.06Å; V308-M334 HydrophobicContact CG2-SD 4.48Å |
| 309 | G | 89.9 | Confident | 88.2 | Confident | 2 Ų | 2 | 24.5 Ų | 24.5 | 2% | 0.021 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -75.8 | -65.6 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | G256 G305 K312 T327 | G256-G309 CarbonylContact O-C 3.56Å; G256-G309 WeakPolarHBondContact O-CA 3.31Å; G305-G309 WeakPolarHBondContact O-CA 3.35Å; G305-G309 PolarHBondContact O-N 3.42Å; G309-K312 WeakPolarHBondContact O-CG 3.01Å; G309-T327 VanDerWaalsContact O-CG2 3.32Å; G309-T327 WeakPolarHBondContact O-CG2 3.45Å |
| 310 | A | 88.1 | Confident | 87.1 | Confident | 17 Ų | 17 | 33.6 Ų | 33.6 | 14% | 0.14 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | -47.1 | -177.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | L254 G256 E306 K312 | L254-A310 HydrophobicContact CB-CB 4.25Å; G256-A310 PolarHBondContact O-N 3.33Å; E306-A310 WeakPolarHBondContact O-CA 3.12Å; E306-A310 WeakPolarHBondContact O-CB 3.38Å; E306-A310 PolarHBondContact O-N 3.24Å; A310-K312 PolarHBondContact O-N 3.38Å |
| 311 | G | 86.1 | Confident | 85.9 | Confident | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 17% | 0.169 | C | C | . | . | S | Bend | trans | -71.9 | -26.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | R190 W193 E306 K307 V313 | R190-G311 WeakPolarHBondContact CA-O 3.42Å; W193-G311 VanDerWaalsContact CG-CA 3.45Å; E306-G311 PolarHBondContact O-N 3.13Å; K307-G311 CarbonylContact O-C 3.42Å; K307-G311 WeakPolarHBondContact O-CA 3.41Å; G311-V313 VanDerWaalsContact O-CG2 3.29Å; G311-V313 WeakPolarHBondContact O-CG2 3.26Å; G311-V313 PolarHBondContact O-N 3.08Å |
| 312 | K | 90.4 | Very high | 85 | Confident | 49 Ų | 49 | 41.9 Ų | 41.9 | 21% | 0.213 | 20% | 0.197 | C | C | . | . | trans | 52 | 38.6 | -174.3 | -54.2 | 173.6 | -173.7 | 170.2 | 0 | 111 | P189 K307 V308 G309 A310 F324 Y325 T327 | P189-K312 HydrophobicContact CB-CD 3.89Å; P189-K312 HydrophobicContact CG-CD 4.04Å; K307-K312 PolarHBondContact O-N 3.27Å; K307-K312 VanDerWaalsContact O-N 3.17Å; V308-K312 VanDerWaalsContact O-CA 3.27Å; V308-K312 WeakPolarHBondContact O-CA 3.43Å; V308-K312 PolarHBondContact O-N 3.01Å; G309-K312 WeakPolarHBondContact O-CG 3.01Å; A310-K312 PolarHBondContact O-N 3.38Å; K312-F324 HydrophobicContact CB-CB 4.23Å; K312-F324 WeakPolarHBondContact O-CD2 3.47Å; K312-Y325 VanDerWaalsContact CD-C 3.45Å; K312-Y325 WeakPolarHBondContact CD-O 3.28Å; K312-Y325 WeakPolarHBondContact CE-O 3.4Å; K312-Y325 PolarHBondContact NZ-O 3.47Å; K312-T327 HydrophobicContact CG-CG2 4.47Å | ||
| 313 | V | 88.4 | Confident | 84.5 | Confident | 4 Ų | 4 | 42.3 Ų | 42.3 | 2% | 0.024 | 20% | 0.2 | C | C | . | . | trans | -105.8 | 138.6 | -178.3 | -175.2 | 0 | 0 | 0 | 0 | 109.4 | R190 K307 G311 | R190-V313 HydrophobicContact CB-CG2 4.18Å; R190-V313 HydrophobicContact CG-CG2 3.68Å; K307-V313 HydrophobicContact CG-CB 4.36Å; K307-V313 PolarHBondContact O-N 3.37Å; K307-V313 VanDerWaalsContact O-N 3.11Å; G311-V313 VanDerWaalsContact O-CG2 3.29Å; G311-V313 WeakPolarHBondContact O-CG2 3.26Å; G311-V313 PolarHBondContact O-N 3.08Å | ||
| 314 | C | 91.2 | Very high | 84.3 | Confident | 3 Ų | 3 | 41.7 Ų | 41.7 | 2% | 0.02 | 20% | 0.198 | C | C | . | . | trans | -77.9 | 128.6 | 172.1 | 173.1 | 0 | 0 | 0 | 0 | 110 | W316 C317 F324 V330 M334 | C314-W316 PolarHBondContact O-N 3.26Å; C314-W316 VanDerWaalsContact O-N 3.11Å; C314-C317 HydrophobicContact CB-CB 4.09Å; C314-C317 PolarHBondContact O-N 3.11Å; C314-F324 HydrophobicContact CB-CE2 4.35Å; C314-V330 HydrophobicContact CB-CG2 4.23Å; C314-M334 HydrophobicContact CB-CG 4.25Å | ||
| 315 | L | 89.6 | Confident | 84.1 | Confident | 2 Ų | 2 | 47 Ų | 47 | 1% | 0.01 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -17.1 | -177.9 | -59.9 | 180 | 0 | 0 | 0 | 115.1 | F265 L304 K307 V308 N318 M334 F343 | F265-L315 HydrophobicContact CE1-CD1 4.16Å; F265-L315 HydrophobicContact CZ-CD1 4.4Å; L304-L315 HydrophobicContact CD2-CD1 4.18Å; L304-L315 HydrophobicContact CD2-CD2 3.68Å; K307-L315 HydrophobicContact CB-CD2 4.31Å; K307-L315 HydrophobicContact CD-CD2 3.94Å; K307-L315 HydrophobicContact CG-CD2 4.15Å; V308-L315 HydrophobicContact CG2-CD1 4.16Å; V308-L315 HydrophobicContact CG2-CD2 3.88Å; V308-L315 HydrophobicContact CG2-CG 3.85Å; L315-N318 PolarHBondContact O-OD1 3.2Å; L315-M334 HydrophobicContact CB-CE 3.85Å; L315-M334 HydrophobicContact CD1-CE 4.01Å; L315-M334 HydrophobicContact CG-CE 3.74Å; L315-F343 PolarHBondContact O-N 2.98Å |
| 316 | W | 88.6 | Confident | 84 | Confident | 98 Ų | 98 | 49.3 Ų | 49.3 | 37% | 0.371 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -106.5 | -33.3 | -179 | -169.4 | -98 | 0 | 0 | 0 | 113.8 | C314 N318 H339 K341 L342 F343 | C314-W316 PolarHBondContact O-N 3.26Å; C314-W316 VanDerWaalsContact O-N 3.11Å; W316-N318 VanDerWaalsContact C-N 3.28Å; W316-N318 PolarHBondContact O-N 3.42Å; W316-H339 HydrophobicContact CB-CB 3.83Å; W316-H339 AromaticContact CD1-CD2 3.91Å; W316-H339 AromaticContact CD1-CE1 3.97Å; W316-H339 AromaticContact CD1-CG 3.99Å; W316-H339 AromaticContact CD1-NE2 3.94Å; W316-H339 HydrophobicContact CG-CB 4.46Å; W316-K341 HydrophobicContact CE3-CB 3.71Å; W316-K341 HydrophobicContact CZ3-CB 3.94Å; W316-L342 WeakPolarHBondContact CZ3-O 3.46Å; W316-F343 HydrophobicContact CD2-CB 4.28Å; W316-F343 HydrophobicContact CD2-CD2 4.19Å; W316-F343 HydrophobicContact CE3-CB 3.75Å; W316-F343 HydrophobicContact CE3-CD2 4.11Å; W316-F343 HydrophobicContact CE3-CG 4.46Å; W316-F343 HydrophobicContact CH2-CD2 4.01Å; W316-F343 HydrophobicContact CZ2-CD2 4.08Å; W316-F343 HydrophobicContact CZ3-CB 4.11Å; W316-F343 HydrophobicContact CZ3-CD2 4.03Å |
| 317 | C | 85.4 | Confident | 84 | Confident | 28 Ų | 28 | 51 Ų | 51 | 19% | 0.189 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.2 | -15.7 | -175.3 | -72.3 | 0 | 0 | 0 | 0 | 113.6 | C314 K320 G321 H333 H339 | C314-C317 HydrophobicContact CB-CB 4.09Å; C314-C317 PolarHBondContact O-N 3.11Å; C317-K320 PolarHBondContact O-N 3.39Å; C317-G321 PolarHBondContact O-N 3.08Å; C317-G321 VanDerWaalsContact O-N 3.11Å; C317-H333 PolarHBondContact SG-NE2 3.44Å; C317-H339 PolarHBondContact SG-CE1 3.21Å; C317-H339 PolarHBondContact SG-ND1 3.05Å |
| 318 | N | 72.7 | Confident | 84.1 | Confident | 32 Ų | 32 | 58 Ų | 58 | 17% | 0.171 | 28% | 0.28 | C | S | . | . | G | 310 helix | trans | 36.9 | -148.6 | -173.2 | -68.9 | -1.1 | 0 | 0 | 0 | 112.4 | R190 L315 W316 K320 G321 F343 | R190-N318 PolarHBondContact NH1-O 3.26Å; R190-N318 PolarHBondContact NH2-O 2.95Å; L315-N318 PolarHBondContact O-OD1 3.2Å; W316-N318 VanDerWaalsContact C-N 3.28Å; W316-N318 PolarHBondContact O-N 3.42Å; N318-K320 PolarHBondContact O-N 3.47Å; N318-K320 VanDerWaalsContact O-N 3.11Å; N318-G321 PolarHBondContact O-N 3.33Å; N318-F343 WeakPolarHBondContact ND2-CD1 3.2Å |
| 319 | E | 67.4 | Low | 84.2 | Confident | 154 Ų | 154 | 60 Ų | 60 | 72% | 0.72 | 30% | 0.296 | S | S | * | . | G | 310 helix | trans | -56.2 | -24.5 | -177 | -59.4 | -169.7 | 151.9 | 0 | 0 | 114.3 | R190 G321 | R190-E319 VanDerWaalsContact NH2-N 3.16Å; E319-G321 VanDerWaalsContact C-N 3.26Å; E319-G321 PolarHBondContact O-N 2.91Å |
| 320 | K | 67.3 | Low | 84.3 | Confident | 211 Ų | 211 | 59.9 Ų | 59.9 | 92% | 0.917 | 30% | 0.295 | S | S | * | . | G | 310 helix | trans | -81.8 | -6.6 | -179 | -59.1 | 177.4 | -174.6 | 171.7 | 0 | 112.9 | C317 N318 | C317-K320 PolarHBondContact O-N 3.39Å; N318-K320 PolarHBondContact O-N 3.47Å; N318-K320 VanDerWaalsContact O-N 3.11Å |
| 321 | G | 66.4 | Low | 84.5 | Confident | 19 Ų | 19 | 60.4 Ų | 60.4 | 20% | 0.196 | 30% | 0.295 | C | S | . | . | S | Bend | trans | -80.8 | 159.1 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | R190 C317 N318 E319 | R190-G321 PolarHBondContact NH1-O 3.19Å; C317-G321 PolarHBondContact O-N 3.08Å; C317-G321 VanDerWaalsContact O-N 3.11Å; N318-G321 PolarHBondContact O-N 3.33Å; E319-G321 VanDerWaalsContact C-N 3.26Å; E319-G321 PolarHBondContact O-N 2.91Å |
| 322 | R | 73.3 | Confident | 84.9 | Confident | 157 Ų | 157 | 61.7 Ų | 61.7 | 59% | 0.592 | 31% | 0.308 | S | S | * | . | P | Polyproline II helix | trans | -61.3 | 138.9 | 168.2 | -65.5 | -172.8 | -68.8 | -125.4 | 9.4 | 110 | F324 | R322-F324 HydrophobicContact CB-CZ 4.25Å; R322-F324 WeakPolarHBondContact O-CD2 3.22Å; R322-F324 VanDerWaalsContact O-CE2 3.25Å; R322-F324 WeakPolarHBondContact O-CE2 3.38Å |
| 323 | S | 80.7 | Confident | 85 | Confident | 52 Ų | 52 | 59.9 Ų | 59.9 | 36% | 0.364 | 30% | 0.3 | S | S | . | . | P | Polyproline II helix | trans | -74.9 | 136.1 | 168.5 | 51.2 | 0 | 0 | 0 | 0 | 110.3 | ||
| 324 | F | 86.6 | Confident | 85.2 | Confident | 21 Ų | 21 | 59.7 Ų | 59.7 | 9% | 0.092 | 30% | 0.299 | C | S | . | . | trans | -107.1 | 151.1 | 175.2 | -58 | -80.2 | 0 | 0 | 0 | 110.4 | K312 C314 R322 A329 V330 H333 | K312-F324 HydrophobicContact CB-CB 4.23Å; K312-F324 WeakPolarHBondContact O-CD2 3.47Å; C314-F324 HydrophobicContact CB-CE2 4.35Å; R322-F324 HydrophobicContact CB-CZ 4.25Å; R322-F324 WeakPolarHBondContact O-CD2 3.22Å; R322-F324 VanDerWaalsContact O-CE2 3.25Å; R322-F324 WeakPolarHBondContact O-CE2 3.38Å; F324-A329 HydrophobicContact CD1-CB 4.06Å; F324-V330 HydrophobicContact CB-CB 4.02Å; F324-V330 HydrophobicContact CD2-CB 3.72Å; F324-V330 HydrophobicContact CD2-CG2 3.78Å; F324-V330 HydrophobicContact CE2-CB 4.39Å; F324-V330 HydrophobicContact CE2-CG2 4.15Å; F324-V330 HydrophobicContact CG-CB 3.86Å; F324-V330 HydrophobicContact CG-CG2 4.42Å; F324-H333 HydrophobicContact CE1-CB 3.71Å; F324-H333 AromaticContact CE1-CG 3.97Å; F324-H333 HydrophobicContact CE2-CB 4.29Å; F324-H333 AromaticContact CE2-CD2 3.57Å; F324-H333 AromaticContact CE2-CG 4Å; F324-H333 HydrophobicContact CZ-CB 3.49Å; F324-H333 VanDerWaalsContact CZ-CB 3.49Å; F324-H333 AromaticContact CZ-CD2 3.3Å; F324-H333 WeakPolarHBondContact CZ-CD2 3.48Å; F324-H333 AromaticContact CZ-CG 3.27Å; F324-H333 AromaticContact CZ-ND1 3.89Å; F324-H333 AromaticContact CZ-NE2 3.89Å | ||
| 325 | Y | 87.2 | Confident | 85.3 | Confident | 110 Ų | 110 | 62.5 Ų | 62.5 | 43% | 0.431 | 32% | 0.316 | S | S | . | . | S | Bend | trans | -109.7 | -11.7 | -179.3 | -63.4 | -83.5 | 0 | 0 | 0 | 113 | P188 P189 K312 | P188-Y325 HydrophobicContact CB-CE1 4.24Å; P189-Y325 HydrophobicContact CG-CD1 4.33Å; K312-Y325 VanDerWaalsContact CD-C 3.45Å; K312-Y325 WeakPolarHBondContact CD-O 3.28Å; K312-Y325 WeakPolarHBondContact CE-O 3.4Å; K312-Y325 PolarHBondContact NZ-O 3.47Å |
| 326 | S | 91.9 | Very high | 85.4 | Confident | 50 Ų | 50 | 69.3 Ų | 69.3 | 35% | 0.35 | 35% | 0.352 | S | S | . | . | S | Bend | trans | -131.4 | 153.5 | 172.3 | 60.8 | 0 | 0 | 0 | 0 | 111.3 | A329 V330 | S326-A329 PolarHBondContact O-N 2.99Å; S326-A329 WeakPolarHBondContact OG-CB 3.47Å; S326-A329 PolarHBondContact OG-N 3.43Å; S326-V330 PolarHBondContact O-N 2.84Å |
| 327 | T | 90.8 | Very high | 85.5 | Confident | 55 Ų | 55 | 68.9 Ų | 68.9 | 34% | 0.337 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -64.6 | -41.6 | 174.9 | 47.8 | 0 | 0 | 0 | 0 | 111.3 | G309 K312 A329 V330 Q331 | G309-T327 VanDerWaalsContact O-CG2 3.32Å; G309-T327 WeakPolarHBondContact O-CG2 3.45Å; K312-T327 HydrophobicContact CG-CG2 4.47Å; T327-A329 VanDerWaalsContact C-N 3.29Å; T327-A329 PolarHBondContact O-N 3.18Å; T327-V330 WeakPolarHBondContact O-CG1 3.45Å; T327-V330 PolarHBondContact O-N 2.78Å; T327-Q331 WeakPolarHBondContact O-CB 3.21Å; T327-Q331 WeakPolarHBondContact O-CG 3.42Å; T327-Q331 PolarHBondContact O-N 2.94Å |
| 328 | E | 93.1 | Very high | 85.7 | Confident | 154 Ų | 154 | 71.2 Ų | 71.2 | 72% | 0.72 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -59.4 | -38.1 | 175.2 | -171.4 | -177.9 | -175.4 | 0 | 0 | 112.4 | Q331 G332 | E328-Q331 PolarHBondContact O-N 3.02Å; E328-G332 PolarHBondContact O-N 3.21Å |
| 329 | A | 92.9 | Very high | 86.5 | Confident | 41 Ų | 41 | 71.5 Ų | 71.5 | 34% | 0.339 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -70 | -36.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | F324 S326 T327 H333 | F324-A329 HydrophobicContact CD1-CB 4.06Å; S326-A329 PolarHBondContact O-N 2.99Å; S326-A329 WeakPolarHBondContact OG-CB 3.47Å; S326-A329 PolarHBondContact OG-N 3.43Å; T327-A329 VanDerWaalsContact C-N 3.29Å; T327-A329 PolarHBondContact O-N 3.18Å; A329-H333 WeakPolarHBondContact O-CB 3.48Å; A329-H333 PolarHBondContact O-N 3.45Å |
| 330 | V | 92.3 | Very high | 87.6 | Confident | 0 Ų | 0 | 64.4 Ų | 64.4 | 0% | 0 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -72.2 | -41 | 175.1 | 61.6 | 0 | 0 | 0 | 0 | 110.8 | V308 C314 F324 S326 T327 H333 M334 | V308-V330 HydrophobicContact CG1-CG1 4.06Å; C314-V330 HydrophobicContact CB-CG2 4.23Å; F324-V330 HydrophobicContact CB-CB 4.02Å; F324-V330 HydrophobicContact CD2-CB 3.72Å; F324-V330 HydrophobicContact CD2-CG2 3.78Å; F324-V330 HydrophobicContact CE2-CB 4.39Å; F324-V330 HydrophobicContact CE2-CG2 4.15Å; F324-V330 HydrophobicContact CG-CB 3.86Å; F324-V330 HydrophobicContact CG-CG2 4.42Å; S326-V330 PolarHBondContact O-N 2.84Å; T327-V330 WeakPolarHBondContact O-CG1 3.45Å; T327-V330 PolarHBondContact O-N 2.78Å; V330-H333 WeakPolarHBondContact O-CB 3.34Å; V330-H333 PolarHBondContact O-N 3Å; V330-M334 HydrophobicContact CG2-CG 4.38Å; V330-M334 HydrophobicContact CG2-SD 3.98Å; V330-M334 WeakPolarHBondContact O-CG 3.3Å; V330-M334 PolarHBondContact O-N 3.47Å |
| 331 | Q | 93.3 | Very high | 88.6 | Confident | 29 Ų | 29 | 59.1 Ų | 59.1 | 14% | 0.136 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -61.2 | -48.4 | 175.7 | -74.6 | -178.8 | -23.9 | 0 | 0 | 111.7 | L264 T327 E328 H333 M334 T335 | L264-Q331 WeakPolarHBondContact O-CG 3.31Å; L264-Q331 PolarHBondContact O-NE2 3.23Å; T327-Q331 WeakPolarHBondContact O-CB 3.21Å; T327-Q331 WeakPolarHBondContact O-CG 3.42Å; T327-Q331 PolarHBondContact O-N 2.94Å; E328-Q331 PolarHBondContact O-N 3.02Å; Q331-H333 VanDerWaalsContact C-N 3.32Å; Q331-H333 PolarHBondContact O-N 3.11Å; Q331-M334 PolarHBondContact O-N 2.92Å; Q331-M334 VanDerWaalsContact O-N 3.08Å; Q331-T335 PolarHBondContact O-N 2.88Å; Q331-T335 PolarHBondContact O-OG1 3.46Å |
| 332 | G | 93.1 | Very high | 89.7 | Confident | 26 Ų | 26 | 58.6 Ų | 58.6 | 27% | 0.268 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -60 | -40.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | E328 M334 T335 D336 | E328-G332 PolarHBondContact O-N 3.21Å; G332-M334 VanDerWaalsContact C-N 3.34Å; G332-M334 PolarHBondContact O-N 3.23Å; G332-T335 WeakPolarHBondContact CA-OG1 3.49Å; G332-T335 PolarHBondContact O-N 2.84Å; G332-T335 PolarHBondContact O-OG1 2.97Å; G332-D336 WeakPolarHBondContact O-CB 3.49Å; G332-D336 PolarHBondContact O-N 2.94Å |
| 333 | H | 92.8 | Very high | 90.3 | Very high | 12 Ų | 12 | 53.8 Ų | 53.8 | 6% | 0.056 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -62.3 | -40.5 | 173 | 167.3 | 66.6 | 0 | 0 | 0 | 113.1 | C317 F324 A329 V330 Q331 K337 H339 | C317-H333 PolarHBondContact SG-NE2 3.44Å; F324-H333 HydrophobicContact CE1-CB 3.71Å; F324-H333 AromaticContact CE1-CG 3.97Å; F324-H333 HydrophobicContact CE2-CB 4.29Å; F324-H333 AromaticContact CE2-CD2 3.57Å; F324-H333 AromaticContact CE2-CG 4Å; F324-H333 HydrophobicContact CZ-CB 3.49Å; F324-H333 VanDerWaalsContact CZ-CB 3.49Å; F324-H333 AromaticContact CZ-CD2 3.3Å; F324-H333 WeakPolarHBondContact CZ-CD2 3.48Å; F324-H333 AromaticContact CZ-CG 3.27Å; F324-H333 AromaticContact CZ-ND1 3.89Å; F324-H333 AromaticContact CZ-NE2 3.89Å; A329-H333 WeakPolarHBondContact O-CB 3.48Å; A329-H333 PolarHBondContact O-N 3.45Å; V330-H333 WeakPolarHBondContact O-CB 3.34Å; V330-H333 PolarHBondContact O-N 3Å; Q331-H333 VanDerWaalsContact C-N 3.32Å; Q331-H333 PolarHBondContact O-N 3.11Å; H333-K337 VanDerWaalsContact CE1-CD 3.41Å; H333-K337 WeakPolarHBondContact CE1-CD 3.44Å; H333-K337 VanDerWaalsContact CE1-CE 3.46Å; H333-K337 WeakPolarHBondContact CE1-CE 3.17Å; H333-K337 WeakPolarHBondContact O-CB 3.39Å; H333-K337 PolarHBondContact O-N 3.38Å; H333-K337 VanDerWaalsContact O-N 3.14Å; H333-H339 AromaticContact NE2-ND1 3.7Å |
| 334 | M | 92.5 | Very high | 90.2 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -68.8 | -40.8 | -179.1 | -70.8 | 175.7 | 85.4 | 0 | 0 | 111.6 | F265 V308 C314 L315 V330 Q331 G332 S338 H339 | F265-M334 HydrophobicContact CD1-CB 4.44Å; F265-M334 HydrophobicContact CD1-CE 3.72Å; F265-M334 HydrophobicContact CD1-SD 4.13Å; F265-M334 HydrophobicContact CE1-CE 3.37Å; F265-M334 HydrophobicContact CE1-SD 4.32Å; V308-M334 HydrophobicContact CG2-SD 4.48Å; C314-M334 HydrophobicContact CB-CG 4.25Å; L315-M334 HydrophobicContact CB-CE 3.85Å; L315-M334 HydrophobicContact CD1-CE 4.01Å; L315-M334 HydrophobicContact CG-CE 3.74Å; V330-M334 HydrophobicContact CG2-CG 4.38Å; V330-M334 HydrophobicContact CG2-SD 3.98Å; V330-M334 WeakPolarHBondContact O-CG 3.3Å; V330-M334 PolarHBondContact O-N 3.47Å; Q331-M334 PolarHBondContact O-N 2.92Å; Q331-M334 VanDerWaalsContact O-N 3.08Å; G332-M334 VanDerWaalsContact C-N 3.34Å; G332-M334 PolarHBondContact O-N 3.23Å; M334-S338 CarbonylContact O-C 3.07Å; M334-S338 VanDerWaalsContact O-CA 3.27Å; M334-S338 WeakPolarHBondContact O-CA 3.02Å; M334-S338 PolarHBondContact O-N 2.9Å; M334-H339 WeakPolarHBondContact CE-O 3.45Å; M334-H339 HydrophobicContact CG-CB 4.48Å; M334-H339 PolarHBondContact O-N 3.49Å |
| 335 | T | 92.9 | Very high | 90 | Very high | 61 Ų | 61 | 57.8 Ų | 57.8 | 37% | 0.374 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -71.1 | -48 | 176.2 | 53.3 | 0 | 0 | 0 | 0 | 111.9 | Q331 G332 K337 S338 | Q331-T335 PolarHBondContact O-N 2.88Å; Q331-T335 PolarHBondContact O-OG1 3.46Å; G332-T335 WeakPolarHBondContact CA-OG1 3.49Å; G332-T335 PolarHBondContact O-N 2.84Å; G332-T335 PolarHBondContact O-OG1 2.97Å; T335-K337 VanDerWaalsContact C-N 3.27Å; T335-K337 PolarHBondContact O-N 3.29Å; T335-S338 PolarHBondContact O-N 3.26Å |
| 336 | D | 92.9 | Very high | 89.6 | Confident | 145 Ų | 145 | 55 Ų | 55 | 78% | 0.775 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -62.2 | -34.3 | -177.9 | -72.2 | -17 | 0 | 0 | 0 | 112.9 | G332 | G332-D336 WeakPolarHBondContact O-CB 3.49Å; G332-D336 PolarHBondContact O-N 2.94Å |
| 337 | K | 90.2 | Very high | 88.6 | Confident | 89 Ų | 89 | 59.2 Ų | 59.2 | 39% | 0.387 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.9 | 0.7 | 179 | -62.6 | -156.8 | -171.7 | -177.6 | 0 | 114.1 | H333 T335 H339 | H333-K337 VanDerWaalsContact CE1-CD 3.41Å; H333-K337 WeakPolarHBondContact CE1-CD 3.44Å; H333-K337 VanDerWaalsContact CE1-CE 3.46Å; H333-K337 WeakPolarHBondContact CE1-CE 3.17Å; H333-K337 WeakPolarHBondContact O-CB 3.39Å; H333-K337 PolarHBondContact O-N 3.38Å; H333-K337 VanDerWaalsContact O-N 3.14Å; T335-K337 VanDerWaalsContact C-N 3.27Å; T335-K337 PolarHBondContact O-N 3.29Å; K337-H339 PolarHBondContact O-CD2 3.33Å; K337-H339 PolarHBondContact O-N 2.89Å |
| 338 | S | 88.9 | Confident | 87.8 | Confident | 78 Ų | 78 | 57 Ų | 57 | 55% | 0.545 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.3 | 33.3 | -171.7 | 68.3 | 0 | 0 | 0 | 0 | 114.2 | M334 T335 C340 | M334-S338 CarbonylContact O-C 3.07Å; M334-S338 VanDerWaalsContact O-CA 3.27Å; M334-S338 WeakPolarHBondContact O-CA 3.02Å; M334-S338 PolarHBondContact O-N 2.9Å; T335-S338 PolarHBondContact O-N 3.26Å; S338-C340 PolarHBondContact O-N 3.17Å |
| 339 | H | 91 | Very high | 87 | Confident | 38 Ų | 38 | 52.4 Ų | 52.4 | 18% | 0.176 | 31% | 0.306 | C | S | . | . | trans | -85.2 | 31.3 | 174.9 | -71.4 | -167.4 | 0 | 0 | 0 | 112 | W316 C317 H333 M334 K337 K341 | W316-H339 HydrophobicContact CB-CB 3.83Å; W316-H339 AromaticContact CD1-CD2 3.91Å; W316-H339 AromaticContact CD1-CE1 3.97Å; W316-H339 AromaticContact CD1-CG 3.99Å; W316-H339 AromaticContact CD1-NE2 3.94Å; W316-H339 HydrophobicContact CG-CB 4.46Å; C317-H339 PolarHBondContact SG-CE1 3.21Å; C317-H339 PolarHBondContact SG-ND1 3.05Å; H333-H339 AromaticContact NE2-ND1 3.7Å; M334-H339 WeakPolarHBondContact CE-O 3.45Å; M334-H339 HydrophobicContact CG-CB 4.48Å; M334-H339 PolarHBondContact O-N 3.49Å; K337-H339 PolarHBondContact O-CD2 3.33Å; K337-H339 PolarHBondContact O-N 2.89Å; H339-K341 PolarHBondContact O-N 3.41Å | ||
| 340 | C | 89.6 | Confident | 86.4 | Confident | 5 Ų | 5 | 56.3 Ų | 56.3 | 3% | 0.034 | 32% | 0.321 | C | S | . | . | trans | -86.3 | 44.3 | 174.1 | -61.2 | 0 | 0 | 0 | 0 | 110.8 | F265 H284 F286 S338 | F265-C340 HydrophobicContact CD1-CB 4.06Å; F265-C340 HydrophobicContact CD2-CB 4.21Å; F265-C340 HydrophobicContact CE1-CB 4.02Å; F265-C340 HydrophobicContact CE2-CB 4.15Å; F265-C340 HydrophobicContact CG-CB 4.16Å; F265-C340 HydrophobicContact CZ-CB 4.06Å; H284-C340 HydrophobicContact CB-CB 4.12Å; H284-C340 WeakPolarHBondContact O-CB 3.42Å; F286-C340 WeakPolarHBondContact CA-O 3.49Å; F286-C340 WeakPolarHBondContact CD2-O 3.49Å; S338-C340 PolarHBondContact O-N 3.17Å | ||
| 341 | K | 89.4 | Confident | 85.9 | Confident | 100 Ų | 100 | 59.7 Ų | 59.7 | 44% | 0.435 | 34% | 0.337 | S | S | . | . | S | Bend | trans | -132.1 | 148.3 | -179.3 | -58.5 | -179.3 | -165.3 | -177 | 0 | 108.8 | W316 H339 | W316-K341 HydrophobicContact CE3-CB 3.71Å; W316-K341 HydrophobicContact CZ3-CB 3.94Å; H339-K341 PolarHBondContact O-N 3.41Å |
| 342 | L | 88.5 | Confident | 85.5 | Confident | 8 Ų | 8 | 58.7 Ų | 58.7 | 4% | 0.042 | 33% | 0.332 | C | S | . | . | trans | -81.8 | 127.2 | 174 | -166.8 | 65.1 | 0 | 0 | 0 | 109 | F286 L304 W316 T344 F352 | F286-L342 HydrophobicContact CE2-CB 4.4Å; L304-L342 HydrophobicContact CD1-CD1 4.4Å; L304-L342 HydrophobicContact CD2-CD1 3.59Å; W316-L342 WeakPolarHBondContact CZ3-O 3.46Å; L342-T344 HydrophobicContact CD2-CG2 3.98Å; L342-T344 HydrophobicContact CG-CG2 4.05Å; L342-F352 HydrophobicContact CD1-CE1 4.05Å; L342-F352 HydrophobicContact CD1-CE2 3.96Å; L342-F352 HydrophobicContact CD1-CZ 3.53Å; L342-F352 HydrophobicContact CD2-CD2 4.44Å; L342-F352 HydrophobicContact CD2-CE2 4.33Å; L342-F352 HydrophobicContact CD2-CZ 4.47Å; L342-F352 HydrophobicContact CG-CE2 4.14Å; L342-F352 HydrophobicContact CG-CZ 4.22Å | ||
| 343 | F | 85.6 | Confident | 85 | Confident | 55 Ų | 55 | 59.5 Ų | 59.5 | 24% | 0.241 | 34% | 0.336 | C | S | . | . | trans | -87.5 | 112.6 | 173.9 | -176.6 | -93.3 | 0 | 0 | 0 | 109.3 | L315 W316 N318 D345 A348 | L315-F343 PolarHBondContact O-N 2.98Å; W316-F343 HydrophobicContact CD2-CB 4.28Å; W316-F343 HydrophobicContact CD2-CD2 4.19Å; W316-F343 HydrophobicContact CE3-CB 3.75Å; W316-F343 HydrophobicContact CE3-CD2 4.11Å; W316-F343 HydrophobicContact CE3-CG 4.46Å; W316-F343 HydrophobicContact CH2-CD2 4.01Å; W316-F343 HydrophobicContact CZ2-CD2 4.08Å; W316-F343 HydrophobicContact CZ3-CB 4.11Å; W316-F343 HydrophobicContact CZ3-CD2 4.03Å; N318-F343 WeakPolarHBondContact ND2-CD1 3.2Å; F343-D345 HydrophobicContact CE1-CB 4.09Å; F343-D345 WeakPolarHBondContact CE1-O 3.47Å; F343-D345 HydrophobicContact CE2-CB 4.02Å; F343-D345 HydrophobicContact CZ-CB 3.68Å; F343-A348 HydrophobicContact CD1-CB 3.7Å; F343-A348 HydrophobicContact CE1-CB 4.14Å; F343-A348 WeakPolarHBondContact O-CB 3.34Å | ||
| 344 | T | 79.9 | Confident | 84.6 | Confident | 50 Ų | 50 | 65.8 Ų | 65.8 | 31% | 0.307 | 37% | 0.37 | S | S | . | . | trans | -114.5 | 10.3 | -177.5 | 53 | 0 | 0 | 0 | 0 | 113.2 | P289 L342 S349 | P289-T344 HydrophobicContact CG-CG2 3.78Å; L342-T344 HydrophobicContact CD2-CG2 3.98Å; L342-T344 HydrophobicContact CG-CG2 4.05Å; T344-S349 WeakPolarHBondContact O-CB 3.34Å | ||
| 345 | D | 80.5 | Confident | 84.4 | Confident | 107 Ų | 107 | 67.5 Ų | 67.5 | 57% | 0.572 | 38% | 0.377 | S | S | * | . | S | Bend | trans | -85.3 | 134.4 | 179.1 | -67.9 | -25.8 | 0 | 0 | 0 | 111.1 | F343 | F343-D345 HydrophobicContact CE1-CB 4.09Å; F343-D345 WeakPolarHBondContact CE1-O 3.47Å; F343-D345 HydrophobicContact CE2-CB 4.02Å; F343-D345 HydrophobicContact CZ-CB 3.68Å |
| 346 | G | 79.4 | Confident | 84 | Confident | 52 Ų | 52 | 65.9 Ų | 65.9 | 54% | 0.536 | 37% | 0.365 | S | S | . | . | G | 310 helix | trans | 68 | -144.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | A348 S349 | G346-A348 PolarHBondContact O-N 3.33Å; G346-S349 PolarHBondContact O-N 3.37Å; G346-S349 PolarHBondContact O-OG 3.33Å |
| 347 | D | 71.3 | Confident | 83.3 | Confident | 139 Ų | 139 | 61 Ų | 61 | 74% | 0.743 | 34% | 0.339 | S | S | * | . | G | 310 helix | trans | -57.7 | -20.3 | -172.4 | -55.9 | -12 | 0 | 0 | 0 | 114.5 | S349 L350 | D347-S349 VanDerWaalsContact C-N 3.27Å; D347-S349 PolarHBondContact O-N 2.97Å; D347-L350 PolarHBondContact O-N 2.93Å |
| 348 | A | 73.2 | Confident | 82.7 | Confident | 7 Ų | 7 | 60.6 Ų | 60.6 | 6% | 0.058 | 34% | 0.337 | C | S | . | . | G | 310 helix | trans | -69 | -21.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | F343 G346 L350 F352 | F343-A348 HydrophobicContact CD1-CB 3.7Å; F343-A348 HydrophobicContact CE1-CB 4.14Å; F343-A348 WeakPolarHBondContact O-CB 3.34Å; G346-A348 PolarHBondContact O-N 3.33Å; A348-L350 VanDerWaalsContact C-N 3.3Å; A348-F352 WeakPolarHBondContact O-CD2 3.4Å; A348-F352 WeakPolarHBondContact O-CE2 3.27Å |
| 349 | S | 76.2 | Confident | 81.8 | Confident | 59 Ų | 59 | 65.7 Ų | 65.7 | 41% | 0.413 | 34% | 0.344 | S | S | . | . | G | 310 helix | trans | -68.8 | -31.9 | 175.4 | 64.6 | 0 | 0 | 0 | 0 | 112.2 | T344 G346 D347 E351 F352 A353 | T344-S349 WeakPolarHBondContact O-CB 3.34Å; G346-S349 PolarHBondContact O-N 3.37Å; G346-S349 PolarHBondContact O-OG 3.33Å; D347-S349 VanDerWaalsContact C-N 3.27Å; D347-S349 PolarHBondContact O-N 2.97Å; S349-E351 VanDerWaalsContact C-N 3.32Å; S349-E351 PolarHBondContact O-N 3.27Å; S349-F352 PolarHBondContact O-N 2.86Å; S349-A353 PolarHBondContact O-N 3.13Å |
| 350 | L | 81.7 | Confident | 80.4 | Confident | 122 Ų | 122 | 69 Ų | 69 | 64% | 0.639 | 37% | 0.367 | S | S | * | . | G | 310 helix | trans | -65.1 | -36.1 | 179.7 | -73.3 | 153.1 | 0 | 0 | 0 | 111.4 | D347 A348 F352 A353 | D347-L350 PolarHBondContact O-N 2.93Å; A348-L350 VanDerWaalsContact C-N 3.3Å; L350-F352 PolarHBondContact O-N 3.48Å; L350-F352 VanDerWaalsContact O-N 3.11Å; L350-A353 WeakPolarHBondContact O-CB 3.41Å; L350-A353 PolarHBondContact O-N 3.47Å; L350-A353 VanDerWaalsContact O-N 3.15Å |
| 351 | E | 82.1 | Confident | 79 | Confident | 72 Ų | 72 | 71.2 Ų | 71.2 | 34% | 0.336 | 38% | 0.383 | S | S | . | . | G | 310 helix | trans | -60.8 | -21.5 | 176.7 | -63.3 | -178.8 | -172.4 | 0 | 0 | 113.5 | K307 S349 | K307-E351 IonicContact NZ-OE2 2.84Å; K307-E351 PolarHBondContact NZ-OE2 2.97Å; S349-E351 VanDerWaalsContact C-N 3.32Å; S349-E351 PolarHBondContact O-N 3.27Å |
| 352 | F | 83.7 | Confident | 77.6 | Confident | 8 Ų | 8 | 73.8 Ų | 73.8 | 4% | 0.035 | 39% | 0.391 | C | S | . | . | G | 310 helix | trans | -107.6 | -0.9 | -178.6 | -52 | -65.3 | 0 | 0 | 0 | 112.9 | L300 Y303 L304 L342 A348 S349 L350 D354 F355 Y356 | L300-F352 HydrophobicContact CD1-CD1 3.83Å; Y303-F352 HydrophobicContact CD1-CD1 4.34Å; Y303-F352 HydrophobicContact CD1-CE1 4.06Å; Y303-F352 HydrophobicContact CE1-CD1 4.17Å; Y303-F352 AromaticContact CE1-CE1 3.72Å; Y303-F352 HydrophobicContact CE1-CE1 3.72Å; L304-F352 HydrophobicContact CD2-CE1 3.94Å; L304-F352 HydrophobicContact CD2-CZ 4.45Å; L342-F352 HydrophobicContact CD1-CE1 4.05Å; L342-F352 HydrophobicContact CD1-CE2 3.96Å; L342-F352 HydrophobicContact CD1-CZ 3.53Å; L342-F352 HydrophobicContact CD2-CD2 4.44Å; L342-F352 HydrophobicContact CD2-CE2 4.33Å; L342-F352 HydrophobicContact CD2-CZ 4.47Å; L342-F352 HydrophobicContact CG-CE2 4.14Å; L342-F352 HydrophobicContact CG-CZ 4.22Å; A348-F352 WeakPolarHBondContact O-CD2 3.4Å; A348-F352 WeakPolarHBondContact O-CE2 3.27Å; S349-F352 PolarHBondContact O-N 2.86Å; L350-F352 PolarHBondContact O-N 3.48Å; L350-F352 VanDerWaalsContact O-N 3.11Å; F352-D354 VanDerWaalsContact C-N 3.27Å; F352-D354 PolarHBondContact O-N 3.45Å; F352-F355 PolarHBondContact O-N 3.25Å; F352-F355 VanDerWaalsContact O-N 3.11Å; F352-Y356 HydrophobicContact CB-CE2 4.33Å; F352-Y356 WeakPolarHBondContact O-CD2 3.47Å |
| 353 | A | 83.8 | Confident | 76 | Confident | 43 Ų | 43 | 79.1 Ų | 79.1 | 36% | 0.355 | 43% | 0.426 | S | S | . | . | G | 310 helix | trans | -57 | -39.7 | -171.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | S349 L350 F355 Y356 | S349-A353 PolarHBondContact O-N 3.13Å; L350-A353 WeakPolarHBondContact O-CB 3.41Å; L350-A353 PolarHBondContact O-N 3.47Å; L350-A353 VanDerWaalsContact O-N 3.15Å; A353-F355 PolarHBondContact O-N 3.25Å; A353-Y356 PolarHBondContact O-N 3.15Å |
| 354 | D | 84.5 | Confident | 74.6 | Confident | 143 Ų | 143 | 82.5 Ų | 82.5 | 77% | 0.765 | 45% | 0.447 | S | S | * | . | G | 310 helix | trans | -60.6 | -19.8 | -178.4 | -51.5 | -23.2 | 0 | 0 | 0 | 114 | F352 | F352-D354 VanDerWaalsContact C-N 3.27Å; F352-D354 PolarHBondContact O-N 3.45Å |
| 355 | F | 86.6 | Confident | 73.3 | Confident | 36 Ų | 36 | 84.9 Ų | 84.9 | 16% | 0.158 | 45% | 0.454 | C | S | . | . | G | 310 helix | trans | -91.8 | -11.5 | 179.2 | -55.8 | -72.6 | 0 | 0 | 0 | 113.6 | L294 I295 N296 L300 Y303 F352 A353 | L294-F355 HydrophobicContact CD1-CB 4.24Å; I295-F355 PolarHBondContact N-O 2.87Å; N296-F355 HydrophobicContact CB-CD1 4.44Å; L300-F355 HydrophobicContact CB-CB 4.28Å; L300-F355 HydrophobicContact CB-CD1 4.29Å; L300-F355 HydrophobicContact CB-CG 4.11Å; L300-F355 HydrophobicContact CD1-CB 4.46Å; L300-F355 HydrophobicContact CD1-CD2 3.83Å; L300-F355 HydrophobicContact CD1-CE2 4.36Å; L300-F355 HydrophobicContact CD1-CG 4.2Å; Y303-F355 HydrophobicContact CD1-CE2 4.43Å; Y303-F355 HydrophobicContact CG-CE2 4.31Å; Y303-F355 HydrophobicContact CG-CZ 4.28Å; F352-F355 PolarHBondContact O-N 3.25Å; F352-F355 VanDerWaalsContact O-N 3.11Å; A353-F355 PolarHBondContact O-N 3.25Å |
| 356 | Y | 85.3 | Confident | 71.5 | Confident | 27 Ų | 27 | 88.4 Ų | 88.4 | 11% | 0.106 | 46% | 0.464 | C | S | . | . | B | Isolated β-bridge | trans | -116.6 | 140.9 | -176.8 | -70.5 | -97.9 | 0 | 0 | 0 | 111.1 | P289 D290 F293 L294 L300 F352 A353 F358 | P289-Y356 WeakPolarHBondContact O-CE1 3.46Å; P289-Y356 PolarHBondContact O-OH 3.47Å; D290-Y356 HydrophobicContact CB-CE1 4.26Å; F293-Y356 HydrophobicContact CB-CD1 4.38Å; F293-Y356 CarbonylContact O-C 3.35Å; F293-Y356 WeakPolarHBondContact O-CA 3.37Å; L294-Y356 HydrophobicContact CB-CD1 4.27Å; L294-Y356 HydrophobicContact CB-CE1 4.05Å; L294-Y356 HydrophobicContact CD1-CD1 4.06Å; L294-Y356 HydrophobicContact CD1-CD2 4Å; L294-Y356 HydrophobicContact CD1-CE1 3.67Å; L294-Y356 HydrophobicContact CD1-CE2 3.61Å; L294-Y356 HydrophobicContact CD1-CG 4.21Å; L294-Y356 VanDerWaalsContact CD1-CZ 3.44Å; L294-Y356 HydrophobicContact CG-CE1 4.47Å; L300-Y356 HydrophobicContact CD2-CE2 4.27Å; F352-Y356 HydrophobicContact CB-CE2 4.33Å; F352-Y356 WeakPolarHBondContact O-CD2 3.47Å; A353-Y356 PolarHBondContact O-N 3.15Å; Y356-F358 VanDerWaalsContact CB-CE2 3.48Å; Y356-F358 AromaticContact CD1-CZ 3.99Å; Y356-F358 HydrophobicContact CD1-CZ 3.99Å; Y356-F358 HydrophobicContact CG-CE2 4.16Å; Y356-F358 HydrophobicContact CG-CZ 4.02Å |
| 357 | D | 79.1 | Confident | 69.6 | Low | 44 Ų | 44 | 95.9 Ų | 95.9 | 24% | 0.235 | 49% | 0.485 | C | S | . | . | trans | -119 | 102 | 171.7 | -179.5 | 13.9 | 0 | 0 | 0 | 110.7 | F293 I295 R359 | F293-D357 PolarHBondContact O-N 3.22Å; I295-D357 HydrophobicContact CD1-CB 3.22Å; I295-D357 HydrophobicContact CG1-CB 3.71Å; D357-R359 VanDerWaalsContact C-N 3.33Å; D357-R359 WeakPolarHBondContact OD1-CB 3.32Å; D357-R359 WeakPolarHBondContact OD1-CD 2.94Å; D357-R359 WeakPolarHBondContact OD1-CG 3.43Å; D357-R359 PolarHBondContact OD1-N 3.43Å | ||
| 358 | F | 76.3 | Confident | 68.6 | Low | 79 Ų | 79 | 92.9 Ų | 92.9 | 35% | 0.346 | 49% | 0.487 | S | S | . | . | trans | -87.2 | 0.8 | 177 | -61.3 | -75.1 | 0 | 0 | 0 | 113.1 | D290 F293 Y356 T360 S361 Y362 | D290-F358 HydrophobicContact CB-CE1 4.43Å; F293-F358 HydrophobicContact CB-CD1 4.05Å; F293-F358 HydrophobicContact CB-CE1 4.09Å; F293-F358 AromaticContact CD2-CD1 3.93Å; F293-F358 HydrophobicContact CD2-CD1 3.93Å; F293-F358 AromaticContact CD2-CE1 3.94Å; F293-F358 HydrophobicContact CD2-CE1 3.94Å; F293-F358 HydrophobicContact CG-CD1 4.03Å; F293-F358 HydrophobicContact CG-CE1 4.28Å; Y356-F358 VanDerWaalsContact CB-CE2 3.48Å; Y356-F358 AromaticContact CD1-CZ 3.99Å; Y356-F358 HydrophobicContact CD1-CZ 3.99Å; Y356-F358 HydrophobicContact CG-CE2 4.16Å; Y356-F358 HydrophobicContact CG-CZ 4.02Å; F358-T360 PolarHBondContact O-N 3.01Å; F358-S361 VanDerWaalsContact O-CB 3.31Å; F358-S361 WeakPolarHBondContact O-CB 3.4Å; F358-S361 PolarHBondContact O-N 3.38Å; F358-Y362 HydrophobicContact CB-CE2 4.26Å; F358-Y362 VanDerWaalsContact O-CD2 3.22Å; F358-Y362 WeakPolarHBondContact O-CD2 3.47Å | ||
| 359 | R | 69.6 | Low | 67.1 | Low | 186 Ų | 186 | 98.1 Ų | 98.1 | 70% | 0.702 | 51% | 0.514 | S | S | * | . | G | 310 helix | trans | -56.1 | -36.3 | 179.9 | -68 | 170.1 | 175.5 | -169.3 | -3 | 111.5 | D357 S361 Y362 | D357-R359 VanDerWaalsContact C-N 3.33Å; D357-R359 WeakPolarHBondContact OD1-CB 3.32Å; D357-R359 WeakPolarHBondContact OD1-CD 2.94Å; D357-R359 WeakPolarHBondContact OD1-CG 3.43Å; D357-R359 PolarHBondContact OD1-N 3.43Å; R359-S361 PolarHBondContact O-N 2.99Å; R359-Y362 PolarHBondContact O-N 3.49Å |
| 360 | T | 61.5 | Low | 65.5 | Low | 107 Ų | 107 | 102.6 Ų | 102.6 | 66% | 0.656 | 53% | 0.534 | S | S | * | . | G | 310 helix | trans | -69.4 | -15.6 | 177 | 54 | 0 | 0 | 0 | 0 | 114.7 | F293 F358 | F293-T360 WeakPolarHBondContact CD1-OG1 3.21Å; F358-T360 PolarHBondContact O-N 3.01Å |
| 361 | S | 60.7 | Low | 63.8 | Low | 51 Ų | 51 | 101.4 Ų | 101.4 | 36% | 0.357 | 53% | 0.531 | S | S | . | . | G | 310 helix | trans | -85.6 | -14.3 | 178.5 | -64.5 | 0 | 0 | 0 | 0 | 113.8 | F293 F358 R359 P363 | F293-S361 WeakPolarHBondContact CD1-OG 3.36Å; F293-S361 WeakPolarHBondContact CE1-OG 3.38Å; F293-S361 WeakPolarHBondContact CE2-OG 3.26Å; F293-S361 WeakPolarHBondContact CZ-OG 3.44Å; F358-S361 VanDerWaalsContact O-CB 3.31Å; F358-S361 WeakPolarHBondContact O-CB 3.4Å; F358-S361 PolarHBondContact O-N 3.38Å; R359-S361 PolarHBondContact O-N 2.99Å; S361-P363 WeakPolarHBondContact O-CD 2.97Å |
| 362 | Y | 60.5 | Low | 61.9 | Low | 155 Ų | 155 | 106.4 Ų | 106.4 | 61% | 0.608 | 55% | 0.554 | S | S | * | * | trans | -92.2 | 105.6 | -179.8 | -67.5 | -78.9 | 0 | 0 | 0 | 109.6 | F358 R359 D364 Q365 | F358-Y362 HydrophobicContact CB-CE2 4.26Å; F358-Y362 VanDerWaalsContact O-CD2 3.22Å; F358-Y362 WeakPolarHBondContact O-CD2 3.47Å; R359-Y362 PolarHBondContact O-N 3.49Å; Y362-D364 PolarHBondContact O-N 3.26Å; Y362-Q365 PolarHBondContact O-N 3.01Å | ||
| 363 | P | 54.8 | Low | 60 | Low | 119 Ų | 119 | 115 Ų | 115 | 77% | 0.773 | 60% | 0.597 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.9 | -1.4 | -176.1 | 27.5 | -35.4 | 0 | 0 | 0 | 114.5 | S361 | S361-P363 WeakPolarHBondContact O-CD 2.97Š|
| 364 | D | 55.3 | Low | 57.7 | Low | 127 Ų | 127 | 120.3 Ų | 120.3 | 68% | 0.679 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.1 | 2.4 | -176.4 | -69.1 | -29.7 | 0 | 0 | 0 | 113 | Y362 K382 | Y362-D364 PolarHBondContact O-N 3.26Å; D364-K382 IonicContact OD1-NZ 3.18Å; D364-K382 PolarHBondContact OD1-NZ 3.43Å; D364-K382 IonicContact OD2-NZ 3.9Å; D364-K382 PolarHBondContact OD2-NZ 3.48Å; D364-K382 VanDerWaalsContact OD2-NZ 3.16Å |
| 365 | Q | 52.5 | Low | 55.7 | Low | 99 Ų | 99 | 121.6 Ų | 121.6 | 46% | 0.463 | 62% | 0.622 | S | S | . | * | trans | -88.3 | 111.7 | 178.1 | -159.5 | 120.7 | 32.7 | 0 | 0 | 111.6 | Y362 | Y362-Q365 PolarHBondContact O-N 3.01Š| ||
| 366 | K | 44 | Very low | 53.6 | Low | 181 Ų | 181 | 127.4 Ų | 127.4 | 79% | 0.787 | 65% | 0.649 | S | S | * | * | trans | -80.5 | 141.1 | 167.4 | -68.2 | 175.7 | -176.8 | 167 | 0 | 108.9 | G368 | K366-G368 PolarHBondContact O-N 3.39Š| ||
| 367 | E | 40 | Very low | 51.9 | Low | 210 Ų | 210 | 135.1 Ų | 135.1 | 98% | 0.981 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.5 | 122.2 | 173.9 | -71.4 | 175 | 162.4 | 0 | 0 | 110.1 | ||
| 368 | G | 50.1 | Low | 50.4 | Low | 76 Ų | 76 | 140.7 Ų | 140.7 | 78% | 0.784 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 113.1 | 13.6 | 172.7 | 0 | 0 | 0 | 0 | 0 | 117.2 | K366 | K366-G368 PolarHBondContact O-N 3.39Š|
| 369 | D | 40.7 | Very low | 48.9 | Very low | 117 Ų | 117 | 142.6 Ų | 142.6 | 63% | 0.626 | 74% | 0.736 | S | S | * | * | trans | -102 | 94.7 | 173.3 | -150.4 | 28.3 | 0 | 0 | 0 | 109.4 | V371 | D369-V371 PolarHBondContact O-N 2.85Å; D369-V371 VanDerWaalsContact O-N 3.13Å | ||
| 370 | D | 43.4 | Very low | 48.1 | Very low | 153 Ų | 153 | 140.2 Ų | 140.2 | 82% | 0.818 | 74% | 0.737 | S | S | * | * | trans | -72.3 | 96.5 | 169.9 | -62.9 | -34.6 | 0 | 0 | 0 | 107.1 | E372 | D370-E372 VanDerWaalsContact C-N 3.33Å; D370-E372 PolarHBondContact O-N 3.36Å | ||
| 371 | V | 44.3 | Very low | 47.8 | Very low | 97 Ų | 97 | 137.7 Ų | 137.7 | 59% | 0.588 | 73% | 0.732 | S | S | * | * | trans | -75.9 | 88.9 | -177.2 | -171.5 | 0 | 0 | 0 | 0 | 108.9 | D369 M373 | D369-V371 PolarHBondContact O-N 2.85Å; D369-V371 VanDerWaalsContact O-N 3.13Å; V371-M373 PolarHBondContact O-N 3.38Å | ||
| 372 | E | 43.9 | Very low | 47.6 | Very low | 176 Ų | 176 | 141.2 Ų | 141.2 | 82% | 0.822 | 74% | 0.741 | S | S | * | * | trans | -53.8 | 129.9 | 147.2 | -73.5 | -172.3 | 172.9 | 0 | 0 | 107.3 | D370 E374 | D370-E372 VanDerWaalsContact C-N 3.33Å; D370-E372 PolarHBondContact O-N 3.36Å; E372-E374 PolarHBondContact O-N 2.82Å | ||
| 373 | M | 42.8 | Very low | 47.7 | Very low | 190 Ų | 190 | 137.6 Ų | 137.6 | 94% | 0.936 | 73% | 0.732 | S | S | * | * | trans | -69 | 71.7 | 179.4 | -73.1 | -97.5 | -73.2 | 0 | 0 | 110.1 | V371 | V371-M373 PolarHBondContact O-N 3.38Š| ||
| 374 | E | 36.3 | Very low | 48.2 | Very low | 154 Ų | 154 | 136.8 Ų | 136.8 | 72% | 0.72 | 72% | 0.72 | S | S | * | * | trans | -82.9 | 129.3 | 164.2 | -157.1 | 165.1 | -156.1 | 0 | 0 | 108 | E372 E376 | E372-E374 PolarHBondContact O-N 2.82Å; E374-E376 HydrophobicContact CG-CG 4.25Å; E374-E376 PolarHBondContact O-N 3.47Å | ||
| 375 | D | 41.6 | Very low | 49.2 | Very low | 170 Ų | 170 | 135.2 Ų | 135.2 | 91% | 0.909 | 71% | 0.711 | S | S | * | * | trans | -68.8 | 43.8 | -178 | -161 | 20.6 | 0 | 0 | 0 | 111.4 | E377 | D375-E377 PolarHBondContact O-N 3.02Š| ||
| 376 | E | 43.2 | Very low | 50.4 | Low | 157 Ų | 157 | 136.1 Ų | 136.1 | 73% | 0.734 | 71% | 0.712 | S | S | * | * | trans | -80 | 119.9 | 178.1 | -74.2 | -142.4 | 145.3 | 0 | 0 | 110 | E374 L378 | E374-E376 HydrophobicContact CG-CG 4.25Å; E374-E376 PolarHBondContact O-N 3.47Å; E376-L378 PolarHBondContact O-N 3.44Å | ||
| 377 | E | 49.1 | Very low | 52 | Low | 189 Ų | 189 | 130.9 Ų | 130.9 | 88% | 0.883 | 69% | 0.692 | S | S | * | * | trans | -41.7 | 112 | 174.8 | -66.3 | 177.8 | 146 | 0 | 0 | 111.4 | D375 | D375-E377 PolarHBondContact O-N 3.02Š| ||
| 378 | L | 47.7 | Very low | 53.7 | Low | 162 Ų | 162 | 126.5 Ų | 126.5 | 85% | 0.848 | 68% | 0.675 | S | S | * | * | trans | -38.2 | 127.1 | 172.7 | -78.9 | 154.8 | 0 | 0 | 0 | 111.3 | E376 D380 | E376-L378 PolarHBondContact O-N 3.44Å; L378-D380 PolarHBondContact O-N 3.47Å | ||
| 379 | P | 45.5 | Very low | 55.1 | Low | 119 Ų | 119 | 130.4 Ų | 130.4 | 77% | 0.773 | 68% | 0.678 | S | S | * | * | trans | -57.1 | 126 | 176.5 | -21.3 | 30.3 | 0 | 0 | 0 | 110.3 | G381 | P379-G381 PolarHBondContact O-N 2.99Š| ||
| 380 | D | 52.5 | Low | 56.8 | Low | 136 Ų | 136 | 127.5 Ų | 127.5 | 73% | 0.727 | 67% | 0.665 | S | S | * | * | trans | -67.5 | 30.7 | -179.4 | -157.8 | 17.1 | 0 | 0 | 0 | 113.6 | L378 K382 N383 | L378-D380 PolarHBondContact O-N 3.47Å; D380-K382 PolarHBondContact O-N 3.42Å; D380-N383 VanDerWaalsContact CG-ND2 3.27Å; D380-N383 PolarHBondContact OD1-ND2 2.91Å; D380-N383 PolarHBondContact OD2-ND2 2.98Å | ||
| 381 | G | 54.6 | Low | 58.7 | Low | 54 Ų | 54 | 122.6 Ų | 122.6 | 56% | 0.557 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.4 | 68.6 | -164.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | P379 | P379-G381 PolarHBondContact O-N 2.99Š|
| 382 | K | 56.7 | Low | 60.8 | Low | 125 Ų | 125 | 120.5 Ų | 120.5 | 54% | 0.543 | 62% | 0.622 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 158.5 | 65.2 | 151.5 | -84.2 | 151.7 | -159.6 | 161.3 | 0 | 107.3 | D364 D380 I384 P396 | D364-K382 IonicContact OD1-NZ 3.18Å; D364-K382 PolarHBondContact OD1-NZ 3.43Å; D364-K382 IonicContact OD2-NZ 3.9Å; D364-K382 PolarHBondContact OD2-NZ 3.48Å; D364-K382 VanDerWaalsContact OD2-NZ 3.16Å; D380-K382 PolarHBondContact O-N 3.42Å; K382-I384 PolarHBondContact O-N 3.25Å; K382-P396 HydrophobicContact CB-CB 4.01Å; K382-P396 HydrophobicContact CB-CG 3.78Å; K382-P396 HydrophobicContact CG-CB 4.1Å; K382-P396 HydrophobicContact CG-CG 4.39Å |
| 383 | N | 61.6 | Low | 62.9 | Low | 79 Ų | 79 | 114.4 Ų | 114.4 | 42% | 0.422 | 60% | 0.595 | S | S | . | * | trans | -56.7 | 110 | -174.3 | -109.1 | -67.6 | 0 | 0 | 0 | 111.3 | D380 D385 | D380-N383 VanDerWaalsContact CG-ND2 3.27Å; D380-N383 PolarHBondContact OD1-ND2 2.91Å; D380-N383 PolarHBondContact OD2-ND2 2.98Å; N383-D385 PolarHBondContact O-N 3Å | ||
| 384 | I | 67.3 | Low | 65 | Low | 102 Ų | 102 | 107.2 Ų | 107.2 | 52% | 0.523 | 56% | 0.562 | S | S | . | * | trans | -72.9 | 88.8 | 162.4 | -68 | 171 | 0 | 0 | 0 | 104.8 | K382 Y386 L393 P396 | K382-I384 PolarHBondContact O-N 3.25Å; I384-Y386 PolarHBondContact O-N 3.11Å; I384-L393 HydrophobicContact CG2-CD1 3.21Å; I384-L393 HydrophobicContact CG2-CD2 4.33Å; I384-L393 HydrophobicContact CG2-CG 4.06Å; I384-P396 HydrophobicContact CG1-CG 4.22Å | ||
| 385 | D | 74.9 | Confident | 67.3 | Low | 93 Ų | 93 | 102.7 Ų | 102.7 | 50% | 0.497 | 54% | 0.542 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 115.2 | -179.8 | -69.1 | -39.3 | 0 | 0 | 0 | 109 | N383 T394 | N383-D385 PolarHBondContact O-N 3Å; D385-T394 WeakPolarHBondContact CB-OG1 3.42Å; D385-T394 PolarHBondContact N-O 2.93Å; D385-T394 PolarHBondContact O-N 3.36Å; D385-T394 PolarHBondContact O-OG1 3.15Å |
| 386 | Y | 77.4 | Confident | 69.1 | Low | 119 Ų | 119 | 98.2 Ų | 98.2 | 47% | 0.467 | 52% | 0.522 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 114.3 | 170 | -177.7 | -99 | 0 | 0 | 0 | 109.1 | I384 D388 L391 L393 | I384-Y386 PolarHBondContact O-N 3.11Å; Y386-D388 HydrophobicContact CD1-CB 4.4Å; Y386-D388 HydrophobicContact CE1-CB 4.12Å; Y386-D388 WeakPolarHBondContact CE1-OD1 3.49Å; Y386-D388 PolarHBondContact O-N 2.92Å; Y386-L391 WeakPolarHBondContact OH-CD2 3.36Å; Y386-L393 HydrophobicContact CD2-CB 4.35Å; Y386-L393 HydrophobicContact CD2-CD1 4.13Å |
| 387 | D | 79.3 | Confident | 70.9 | Confident | 70 Ų | 70 | 95.4 Ų | 95.4 | 37% | 0.374 | 52% | 0.52 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 103.9 | 175.2 | -179.1 | -8.7 | 0 | 0 | 0 | 109 | D389 T390 L391 E392 | D387-D389 PolarHBondContact O-N 3.03Å; D387-D389 WeakPolarHBondContact OD1-CB 3.35Å; D387-D389 PolarHBondContact OD1-N 2.95Å; D387-T390 VanDerWaalsContact CB-OG1 3.27Å; D387-T390 WeakPolarHBondContact CB-OG1 3.45Å; D387-T390 PolarHBondContact O-N 3.39Å; D387-T390 PolarHBondContact OD1-N 3.1Å; D387-T390 WeakPolarHBondContact OD2-CB 3.46Å; D387-T390 WeakPolarHBondContact OD2-CG2 3.39Å; D387-T390 PolarHBondContact OD2-OG1 2.94Å; D387-L391 WeakPolarHBondContact O-CA 3.44Å; D387-L391 PolarHBondContact O-N 2.95Å; D387-E392 PolarHBondContact N-O 3.34Å; D387-E392 PolarHBondContact O-N 2.88Å |
| 388 | D | 75.2 | Confident | 72.3 | Confident | 118 Ų | 118 | 89.3 Ų | 89.3 | 63% | 0.631 | 51% | 0.509 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.4 | -24 | -177.4 | -155.2 | 23.9 | 0 | 0 | 0 | 112.3 | Y386 | Y386-D388 HydrophobicContact CD1-CB 4.4Å; Y386-D388 HydrophobicContact CE1-CB 4.12Å; Y386-D388 WeakPolarHBondContact CE1-OD1 3.49Å; Y386-D388 PolarHBondContact O-N 2.92Å |
| 389 | D | 78.7 | Confident | 74.2 | Confident | 158 Ų | 158 | 83.8 Ų | 83.8 | 85% | 0.845 | 49% | 0.486 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.7 | -40.8 | 178.4 | -73.2 | -29.3 | 0 | 0 | 0 | 111.7 | D387 | D387-D389 PolarHBondContact O-N 3.03Å; D387-D389 WeakPolarHBondContact OD1-CB 3.35Å; D387-D389 PolarHBondContact OD1-N 2.95Å |
| 390 | T | 76.7 | Confident | 76.3 | Confident | 56 Ų | 56 | 85 Ų | 85 | 34% | 0.344 | 48% | 0.479 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.1 | -10.4 | 179.5 | 63.4 | 0 | 0 | 0 | 0 | 113.5 | D387 E392 | D387-T390 VanDerWaalsContact CB-OG1 3.27Å; D387-T390 WeakPolarHBondContact CB-OG1 3.45Å; D387-T390 PolarHBondContact O-N 3.39Å; D387-T390 PolarHBondContact OD1-N 3.1Å; D387-T390 WeakPolarHBondContact OD2-CB 3.46Å; D387-T390 WeakPolarHBondContact OD2-CG2 3.39Å; D387-T390 PolarHBondContact OD2-OG1 2.94Å; T390-E392 PolarHBondContact O-N 3.46Å |
| 391 | L | 83.7 | Confident | 78 | Confident | 51 Ų | 51 | 82.6 Ų | 82.6 | 27% | 0.267 | 47% | 0.465 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.2 | 37.3 | -173.4 | -57 | 169.4 | 0 | 0 | 0 | 111.1 | Y386 D387 H403 L406 | Y386-L391 WeakPolarHBondContact OH-CD2 3.36Å; D387-L391 WeakPolarHBondContact O-CA 3.44Å; D387-L391 PolarHBondContact O-N 2.95Å; L391-H403 HydrophobicContact CB-CB 3.83Å; L391-H403 VanDerWaalsContact O-CB 3.31Å; L391-H403 WeakPolarHBondContact O-CB 3.27Å; L391-H403 PolarHBondContact O-N 3.05Å; L391-L406 HydrophobicContact CB-CD1 4.08Å; L391-L406 HydrophobicContact CD1-CD1 4.34Å |
| 392 | E | 87.3 | Confident | 79.7 | Confident | 53 Ų | 53 | 81.6 Ų | 81.6 | 25% | 0.248 | 46% | 0.456 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 139 | 177.4 | -65.5 | -176.1 | 176.8 | 0 | 0 | 109.8 | D387 T390 K400 | D387-E392 PolarHBondContact N-O 3.34Å; D387-E392 PolarHBondContact O-N 2.88Å; T390-E392 PolarHBondContact O-N 3.46Å; E392-K400 IonicContact OE2-NZ 3.16Å; E392-K400 PolarHBondContact OE2-NZ 3.42Å |
| 393 | L | 89 | Confident | 81.3 | Confident | 47 Ų | 47 | 78.8 Ų | 78.8 | 25% | 0.246 | 44% | 0.444 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 120.1 | 173.5 | -178.6 | 65.5 | 0 | 0 | 0 | 109.1 | I384 Y386 K400 I401 | I384-L393 HydrophobicContact CG2-CD1 3.21Å; I384-L393 HydrophobicContact CG2-CD2 4.33Å; I384-L393 HydrophobicContact CG2-CG 4.06Å; Y386-L393 HydrophobicContact CD2-CB 4.35Å; Y386-L393 HydrophobicContact CD2-CD1 4.13Å; L393-K400 CarbonylContact O-C 3.58Å; L393-K400 WeakPolarHBondContact O-CA 3.36Å; L393-I401 HydrophobicContact CB-CB 4.28Å; L393-I401 PolarHBondContact N-O 3.29Å; L393-I401 PolarHBondContact O-N 2.99Å |
| 394 | T | 85.8 | Confident | 82.6 | Confident | 40 Ų | 40 | 84.8 Ų | 84.8 | 25% | 0.245 | 46% | 0.461 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 117.5 | 172.7 | 30.3 | 0 | 0 | 0 | 0 | 110 | D385 K400 | D385-T394 WeakPolarHBondContact CB-OG1 3.42Å; D385-T394 PolarHBondContact N-O 2.93Å; D385-T394 PolarHBondContact O-N 3.36Å; D385-T394 PolarHBondContact O-OG1 3.15Å; T394-K400 HydrophobicContact CG2-CD 4.35Å; T394-K400 HydrophobicContact CG2-CG 3.74Å |
| 395 | L | 85.4 | Confident | 83.7 | Confident | 58 Ų | 58 | 83.3 Ų | 83.3 | 30% | 0.304 | 46% | 0.459 | S | S | . | . | trans | -75.7 | 156.8 | 173.7 | -70.6 | 169.1 | 0 | 0 | 0 | 110.7 | S397 G398 A399 I401 | L395-S397 WeakPolarHBondContact CB-OG 3.39Å; L395-S397 PolarHBondContact O-N 3.34Å; L395-G398 WeakPolarHBondContact O-CA 3.34Å; L395-G398 PolarHBondContact O-N 3.47Å; L395-A399 HydrophobicContact CD1-CB 4.13Å; L395-A399 PolarHBondContact N-O 2.69Å; L395-I401 HydrophobicContact CD1-CD1 3.52Å; L395-I401 HydrophobicContact CD1-CG1 4.23Å; L395-I401 HydrophobicContact CD2-CD1 4.43Å; L395-I401 HydrophobicContact CG-CD1 3.96Å | ||
| 396 | P | 79.7 | Confident | 84.4 | Confident | 76 Ų | 76 | 80.8 Ų | 80.8 | 49% | 0.494 | 45% | 0.446 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | -21.2 | 171.6 | -25.8 | 34.9 | 0 | 0 | 0 | 113.8 | K382 I384 G398 | K382-P396 HydrophobicContact CB-CB 4.01Å; K382-P396 HydrophobicContact CB-CG 3.78Å; K382-P396 HydrophobicContact CG-CB 4.1Å; K382-P396 HydrophobicContact CG-CG 4.39Å; I384-P396 HydrophobicContact CG1-CG 4.22Å; P396-G398 PolarHBondContact O-N 3.21Å |
| 397 | S | 81.1 | Confident | 84.8 | Confident | 98 Ų | 98 | 79.4 Ų | 79.4 | 69% | 0.685 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.1 | -2.9 | 171.8 | 62.1 | 0 | 0 | 0 | 0 | 114.2 | L395 A399 | L395-S397 WeakPolarHBondContact CB-OG 3.39Å; L395-S397 PolarHBondContact O-N 3.34Å; S397-A399 VanDerWaalsContact C-N 3.26Å; S397-A399 PolarHBondContact O-N 3.11Å |
| 398 | G | 79.3 | Confident | 85.3 | Confident | 62 Ų | 62 | 85.5 Ų | 85.5 | 64% | 0.639 | 46% | 0.462 | S | S | * | . | S | Bend | trans | 79.4 | 0.5 | -175 | 0 | 0 | 0 | 0 | 0 | 114.5 | L395 P396 | L395-G398 WeakPolarHBondContact O-CA 3.34Å; L395-G398 PolarHBondContact O-N 3.47Å; P396-G398 PolarHBondContact O-N 3.21Å |
| 399 | A | 86.9 | Confident | 85.9 | Confident | 46 Ų | 46 | 86.3 Ų | 86.3 | 38% | 0.38 | 46% | 0.458 | S | S | . | . | trans | -75.1 | 134.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | L395 S397 | L395-A399 HydrophobicContact CD1-CB 4.13Å; L395-A399 PolarHBondContact N-O 2.69Å; S397-A399 VanDerWaalsContact C-N 3.26Å; S397-A399 PolarHBondContact O-N 3.11Å | ||
| 400 | K | 88.4 | Confident | 86.3 | Confident | 143 Ų | 143 | 83.5 Ų | 83.5 | 62% | 0.622 | 44% | 0.436 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 123.2 | 176 | -63.8 | -166.5 | 164.4 | -149.7 | 0 | 111.3 | E392 L393 T394 | E392-K400 IonicContact OE2-NZ 3.16Å; E392-K400 PolarHBondContact OE2-NZ 3.42Å; L393-K400 CarbonylContact O-C 3.58Å; L393-K400 WeakPolarHBondContact O-CA 3.36Å; T394-K400 HydrophobicContact CG2-CD 4.35Å; T394-K400 HydrophobicContact CG2-CG 3.74Å |
| 401 | I | 89.3 | Confident | 86.8 | Confident | 86 Ų | 86 | 88.2 Ų | 88.2 | 44% | 0.441 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 115 | 176.5 | -60 | 174.8 | 0 | 0 | 0 | 108.4 | L393 L395 | L393-I401 HydrophobicContact CB-CB 4.28Å; L393-I401 PolarHBondContact N-O 3.29Å; L393-I401 PolarHBondContact O-N 2.99Å; L395-I401 HydrophobicContact CD1-CD1 3.52Å; L395-I401 HydrophobicContact CD1-CG1 4.23Å; L395-I401 HydrophobicContact CD2-CD1 4.43Å; L395-I401 HydrophobicContact CG-CD1 3.96Å |
| 402 | G | 89.9 | Confident | 87 | Confident | 34 Ų | 34 | 90 Ų | 90 | 35% | 0.351 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 149.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y410 | G402-Y410 VanDerWaalsContact CA-OH 3.32Å; G402-Y410 WeakPolarHBondContact CA-OH 3.09Å |
| 403 | H | 90.1 | Very high | 86.7 | Confident | 66 Ų | 66 | 98.8 Ų | 98.8 | 31% | 0.306 | 49% | 0.489 | S | S | . | . | trans | -67.6 | 144 | 177.5 | -173.3 | -101.1 | 0 | 0 | 0 | 113.7 | L391 S405 L406 | L391-H403 HydrophobicContact CB-CB 3.83Å; L391-H403 VanDerWaalsContact O-CB 3.31Å; L391-H403 WeakPolarHBondContact O-CB 3.27Å; L391-H403 PolarHBondContact O-N 3.05Å; H403-S405 WeakPolarHBondContact ND1-CB 3.49Å; H403-S405 PolarHBondContact ND1-N 3.33Å; H403-S405 PolarHBondContact ND1-OG 3Å; H403-S405 PolarHBondContact O-N 3.22Å; H403-S405 VanDerWaalsContact O-N 3.07Å; H403-L406 PolarHBondContact O-N 3.4Å | ||
| 404 | R | 89.8 | Confident | 86.1 | Confident | 205 Ų | 205 | 104.4 Ų | 104.4 | 77% | 0.774 | 51% | 0.512 | S | S | * | . | G | 310 helix | trans | -57 | -26.9 | -176.9 | 63.3 | 175.8 | 175.6 | -96.6 | -3.4 | 114.6 | L406 M407 | R404-L406 PolarHBondContact O-N 3.04Å; R404-M407 VanDerWaalsContact O-CB 3.27Å; R404-M407 WeakPolarHBondContact O-CB 3.4Å; R404-M407 PolarHBondContact O-N 3.46Å |
| 405 | S | 89.9 | Confident | 85 | Confident | 70 Ų | 70 | 105.5 Ų | 105.5 | 49% | 0.49 | 53% | 0.531 | S | S | . | . | G | 310 helix | trans | -64.5 | -27.2 | 177.5 | 62.9 | 0 | 0 | 0 | 0 | 112.5 | H403 | H403-S405 WeakPolarHBondContact ND1-CB 3.49Å; H403-S405 PolarHBondContact ND1-N 3.33Å; H403-S405 PolarHBondContact ND1-OG 3Å; H403-S405 PolarHBondContact O-N 3.22Å; H403-S405 VanDerWaalsContact O-N 3.07Å |
| 406 | L | 89.1 | Confident | 84 | Confident | 40 Ų | 40 | 106.9 Ų | 106.9 | 21% | 0.209 | 55% | 0.551 | C | S | . | * | G | 310 helix | trans | -93.1 | 4.4 | -177.1 | -60.1 | 176.8 | 0 | 0 | 0 | 113.1 | L391 H403 R404 R408 Y409 Y410 | L391-L406 HydrophobicContact CB-CD1 4.08Å; L391-L406 HydrophobicContact CD1-CD1 4.34Å; H403-L406 PolarHBondContact O-N 3.4Å; R404-L406 PolarHBondContact O-N 3.04Å; L406-R408 PolarHBondContact O-N 3.17Å; L406-Y409 HydrophobicContact CB-CD2 4.14Å; L406-Y409 HydrophobicContact CD2-CD2 3.6Å; L406-Y409 HydrophobicContact CD2-CE2 3.74Å; L406-Y409 HydrophobicContact CG-CD2 4.49Å; L406-Y409 WeakPolarHBondContact O-CA 3.39Å; L406-Y409 WeakPolarHBondContact O-CB 3.41Å; L406-Y409 PolarHBondContact O-N 2.93Å; L406-Y410 HydrophobicContact CB-CD2 4.15Å; L406-Y410 HydrophobicContact CB-CE1 4.21Å; L406-Y410 HydrophobicContact CB-CE2 3.5Å; L406-Y410 VanDerWaalsContact CD1-OH 3.32Å; L406-Y410 WeakPolarHBondContact CD1-OH 3.32Å; L406-Y410 WeakPolarHBondContact O-CD2 3.46Å; L406-Y410 PolarHBondContact O-N 3.16Å |
| 407 | M | 87.2 | Confident | 82.9 | Confident | 90 Ų | 90 | 109 Ų | 109 | 44% | 0.443 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -51.5 | -35.9 | -179.8 | -174.6 | 67.6 | 65.9 | 0 | 0 | 113.5 | R404 Y409 Y410 K411 | R404-M407 VanDerWaalsContact O-CB 3.27Å; R404-M407 WeakPolarHBondContact O-CB 3.4Å; R404-M407 PolarHBondContact O-N 3.46Å; M407-Y409 VanDerWaalsContact C-N 3.31Å; M407-Y409 PolarHBondContact O-N 3.07Å; M407-Y410 PolarHBondContact O-N 3.4Å; M407-K411 HydrophobicContact CG-CD 4.13Å; M407-K411 WeakPolarHBondContact O-CB 3.34Å; M407-K411 WeakPolarHBondContact O-CG 3.32Å; M407-K411 PolarHBondContact O-N 2.99Å; M407-K411 HydrophobicContact SD-CD 4.28Å; M407-K411 VanDerWaalsContact SD-CE 3.57Å; M407-K411 HydrophobicContact SD-CG 4.43Å |
| 408 | R | 88.5 | Confident | 81.6 | Confident | 198 Ų | 198 | 115.3 Ų | 115.3 | 75% | 0.747 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -61.3 | -41.3 | 176.3 | -176.8 | -178.8 | -179.8 | -168.4 | 0.3 | 111.6 | L406 Q412 | L406-R408 PolarHBondContact O-N 3.17Å; R408-Q412 PolarHBondContact O-N 3.49Å |
| 409 | Y | 87.2 | Confident | 80.4 | Confident | 135 Ų | 135 | 118.7 Ų | 118.7 | 53% | 0.529 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -76.7 | -39.4 | -179.7 | -51.2 | -64.7 | 0 | 0 | 0 | 111.1 | L406 M407 K411 Q412 | L406-Y409 HydrophobicContact CB-CD2 4.14Å; L406-Y409 HydrophobicContact CD2-CD2 3.6Å; L406-Y409 HydrophobicContact CD2-CE2 3.74Å; L406-Y409 HydrophobicContact CG-CD2 4.49Å; L406-Y409 WeakPolarHBondContact O-CA 3.39Å; L406-Y409 WeakPolarHBondContact O-CB 3.41Å; L406-Y409 PolarHBondContact O-N 2.93Å; M407-Y409 VanDerWaalsContact C-N 3.31Å; M407-Y409 PolarHBondContact O-N 3.07Å; Y409-K411 PolarHBondContact O-N 3.42Å; Y409-Q412 WeakPolarHBondContact O-CB 3.18Å; Y409-Q412 PolarHBondContact O-N 3.04Å |
| 410 | Y | 87.5 | Confident | 78.7 | Confident | 99 Ų | 99 | 121.8 Ų | 121.8 | 39% | 0.388 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -62.7 | -32.4 | 174.5 | -58.6 | -36.9 | 0 | 0 | 0 | 112.9 | G402 L406 M407 Q412 | G402-Y410 VanDerWaalsContact CA-OH 3.32Å; G402-Y410 WeakPolarHBondContact CA-OH 3.09Å; L406-Y410 HydrophobicContact CB-CD2 4.15Å; L406-Y410 HydrophobicContact CB-CE1 4.21Å; L406-Y410 HydrophobicContact CB-CE2 3.5Å; L406-Y410 VanDerWaalsContact CD1-OH 3.32Å; L406-Y410 WeakPolarHBondContact CD1-OH 3.32Å; L406-Y410 WeakPolarHBondContact O-CD2 3.46Å; L406-Y410 PolarHBondContact O-N 3.16Å; M407-Y410 PolarHBondContact O-N 3.4Å; Y410-Q412 VanDerWaalsContact C-N 3.31Å |
| 411 | K | 87.5 | Confident | 76.9 | Confident | 155 Ų | 155 | 119.2 Ų | 119.2 | 67% | 0.674 | 60% | 0.602 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.8 | -9.6 | 173.1 | -70.5 | 178.4 | 175.7 | 176.5 | 0 | 113.4 | M407 Y409 R413 | M407-K411 HydrophobicContact CG-CD 4.13Å; M407-K411 WeakPolarHBondContact O-CB 3.34Å; M407-K411 WeakPolarHBondContact O-CG 3.32Å; M407-K411 PolarHBondContact O-N 2.99Å; M407-K411 HydrophobicContact SD-CD 4.28Å; M407-K411 VanDerWaalsContact SD-CE 3.57Å; M407-K411 HydrophobicContact SD-CG 4.43Å; Y409-K411 PolarHBondContact O-N 3.42Å; K411-R413 PolarHBondContact O-N 3.49Å; K411-R413 VanDerWaalsContact O-N 3.1Å |
| 412 | Q | 88.6 | Confident | 75.3 | Confident | 88 Ų | 88 | 121.4 Ų | 121.4 | 41% | 0.411 | 61% | 0.613 | S | S | . | * | trans | -76.4 | 100.6 | -178.5 | -172 | 168.3 | -2.9 | 0 | 0 | 110.2 | R408 Y409 Y410 F414 | R408-Q412 PolarHBondContact O-N 3.49Å; Y409-Q412 WeakPolarHBondContact O-CB 3.18Å; Y409-Q412 PolarHBondContact O-N 3.04Å; Y410-Q412 VanDerWaalsContact C-N 3.31Å; Q412-F414 HydrophobicContact CB-CE2 4.45Å; Q412-F414 HydrophobicContact CG-CD1 4.48Å; Q412-F414 HydrophobicContact CG-CD2 4.21Å; Q412-F414 HydrophobicContact CG-CE1 4.16Å; Q412-F414 HydrophobicContact CG-CE2 3.85Å; Q412-F414 HydrophobicContact CG-CZ 3.84Å; Q412-F414 PolarHBondContact O-N 3.33Å | ||
| 413 | R | 80.8 | Confident | 73.5 | Confident | 238 Ų | 238 | 124.5 Ų | 124.5 | 90% | 0.898 | 64% | 0.635 | S | S | * | * | trans | -84.1 | 95.8 | 171 | -55.8 | -178 | 85.1 | -140.7 | 7.5 | 108.2 | K411 G415 | K411-R413 PolarHBondContact O-N 3.49Å; K411-R413 VanDerWaalsContact O-N 3.1Å; R413-G415 PolarHBondContact O-N 2.66Å | ||
| 414 | F | 75.4 | Confident | 71.8 | Confident | 166 Ų | 166 | 128.5 Ų | 128.5 | 73% | 0.728 | 65% | 0.654 | S | S | * | * | trans | -65.2 | 108 | 162.6 | -61.5 | -80.8 | 0 | 0 | 0 | 106.9 | Q412 | Q412-F414 HydrophobicContact CB-CE2 4.45Å; Q412-F414 HydrophobicContact CG-CD1 4.48Å; Q412-F414 HydrophobicContact CG-CD2 4.21Å; Q412-F414 HydrophobicContact CG-CE1 4.16Å; Q412-F414 HydrophobicContact CG-CE2 3.85Å; Q412-F414 HydrophobicContact CG-CZ 3.84Å; Q412-F414 PolarHBondContact O-N 3.33Å | ||
| 415 | G | 64.3 | Low | 70.3 | Confident | 62 Ų | 62 | 123.5 Ų | 123.5 | 64% | 0.639 | 64% | 0.643 | S | S | * | * | trans | -54.1 | 150 | 169.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | R413 | R413-G415 PolarHBondContact O-N 2.66Š| ||
| 416 | A | 63.8 | Low | 68.8 | Low | 87 Ų | 87 | 129.7 Ų | 129.7 | 72% | 0.719 | 66% | 0.655 | S | S | * | * | S | Bend | trans | -41 | 132.7 | 169.9 | 0 | 0 | 0 | 0 | 0 | 108.2 | R418 | A416-R418 VanDerWaalsContact C-N 3.32Å; A416-R418 PolarHBondContact O-N 3.37Å |
| 417 | P | 56.3 | Low | 67.3 | Low | 121 Ų | 121 | 133.5 Ų | 133.5 | 79% | 0.786 | 68% | 0.676 | S | S | * | * | trans | -50.5 | 103.2 | -165.3 | 20.6 | -33 | 0 | 0 | 0 | 107.5 | T419 | P417-T419 PolarHBondContact O-N 3.16Š| ||
| 418 | R | 54 | Low | 65.9 | Low | 230 Ų | 230 | 130.9 Ų | 130.9 | 87% | 0.868 | 67% | 0.668 | S | S | * | * | trans | -60.4 | 105 | 167 | -98.1 | 179.9 | 163.5 | 144.4 | -4 | 100.8 | A416 V420 | A416-R418 VanDerWaalsContact C-N 3.32Å; A416-R418 PolarHBondContact O-N 3.37Å; R418-V420 PolarHBondContact O-N 3.42Å | ||
| 419 | T | 53.8 | Low | 64.6 | Low | 133 Ų | 133 | 126.1 Ų | 126.1 | 82% | 0.816 | 66% | 0.661 | S | S | * | * | trans | -52.4 | 94.3 | 156 | 38.2 | 0 | 0 | 0 | 0 | 102.9 | P417 A421 | P417-T419 PolarHBondContact O-N 3.16Å; T419-A421 PolarHBondContact O-N 2.81Å | ||
| 420 | V | 50.9 | Low | 63.3 | Low | 111 Ų | 111 | 120.9 Ų | 120.9 | 67% | 0.673 | 65% | 0.649 | S | S | * | * | trans | -60.2 | 98.9 | 170 | -177.1 | 0 | 0 | 0 | 0 | 100.8 | R418 L422 | R418-V420 PolarHBondContact O-N 3.42Å; V420-L422 HydrophobicContact CG1-CD2 4.46Å; V420-L422 PolarHBondContact O-N 3.39Å | ||
| 421 | A | 51.2 | Low | 62.2 | Low | 90 Ų | 90 | 124.2 Ų | 124.2 | 74% | 0.744 | 66% | 0.66 | S | S | * | * | trans | -58.5 | 92.9 | 161 | 0 | 0 | 0 | 0 | 0 | 102.1 | T419 A423 | T419-A421 PolarHBondContact O-N 2.81Å; A421-A423 PolarHBondContact O-N 3.44Å | ||
| 422 | L | 54.5 | Low | 61.1 | Low | 132 Ų | 132 | 120.1 Ų | 120.1 | 69% | 0.691 | 65% | 0.648 | S | S | * | * | trans | -53.8 | 103.5 | 171.7 | -76.9 | 166 | 0 | 0 | 0 | 102.7 | V420 H424 | V420-L422 HydrophobicContact CG1-CD2 4.46Å; V420-L422 PolarHBondContact O-N 3.39Å; L422-H424 PolarHBondContact O-N 3.43Å | ||
| 423 | A | 52.4 | Low | 59.8 | Low | 98 Ų | 98 | 121.5 Ų | 121.5 | 81% | 0.81 | 66% | 0.658 | S | S | * | * | trans | -60.2 | 94.5 | 170 | 0 | 0 | 0 | 0 | 0 | 103.6 | A421 N425 | A421-A423 PolarHBondContact O-N 3.44Å; A423-N425 VanDerWaalsContact C-N 3.33Å; A423-N425 PolarHBondContact O-N 3.39Å | ||
| 424 | H | 55 | Low | 59 | Low | 150 Ų | 150 | 119.4 Ų | 119.4 | 69% | 0.694 | 65% | 0.65 | S | S | * | * | trans | -68.4 | 100.4 | -166.9 | -130.7 | 22.9 | 0 | 0 | 0 | 104.6 | L422 R426 | L422-H424 PolarHBondContact O-N 3.43Å; H424-R426 HydrophobicContact CB-CG 4.12Å; H424-R426 PolarHBondContact O-N 3.41Å | ||
| 425 | N | 58.7 | Low | 58.3 | Low | 100 Ų | 100 | 117.5 Ų | 117.5 | 54% | 0.535 | 64% | 0.643 | S | S | . | * | trans | -73.7 | 68 | 174.6 | -165.5 | -16.3 | 0 | 0 | 0 | 107.7 | A423 N427 A428 V429 | A423-N425 VanDerWaalsContact C-N 3.33Å; A423-N425 PolarHBondContact O-N 3.39Å; N425-N427 PolarHBondContact O-N 3.46Å; N425-A428 HydrophobicContact CB-CB 4.2Å; N425-A428 VanDerWaalsContact CG-CB 3.49Å; N425-A428 PolarHBondContact O-N 2.96Å; N425-A428 VanDerWaalsContact O-N 3.09Å; N425-A428 WeakPolarHBondContact OD1-CB 3.11Å; N425-A428 PolarHBondContact OD1-N 2.9Å; N425-A428 VanDerWaalsContact OD1-N 3.13Å; N425-V429 PolarHBondContact O-N 3.38Å | ||
| 426 | R | 57.3 | Low | 57.9 | Low | 201 Ų | 201 | 120.1 Ų | 120.1 | 76% | 0.758 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -54.7 | -24.7 | -179.3 | -68.3 | 175.5 | 87.5 | 176.3 | 3.4 | 110.7 | H424 G430 | H424-R426 HydrophobicContact CB-CG 4.12Å; H424-R426 PolarHBondContact O-N 3.41Å; R426-G430 PolarHBondContact O-N 3.46Å |
| 427 | N | 57.7 | Low | 57.7 | Low | 119 Ų | 119 | 123.8 Ų | 123.8 | 64% | 0.636 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -86.8 | -24.1 | -175.4 | -59.9 | -9.7 | 0 | 0 | 0 | 113.4 | N425 R431 | N425-N427 PolarHBondContact O-N 3.46Å; N427-R431 PolarHBondContact O-NE 3.44Å |
| 428 | A | 58.8 | Low | 57.8 | Low | 35 Ų | 35 | 122.2 Ų | 122.2 | 29% | 0.289 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -79.4 | -48.5 | 174 | 0 | 0 | 0 | 0 | 0 | 110.8 | N425 G430 R431 V432 | N425-A428 HydrophobicContact CB-CB 4.2Å; N425-A428 VanDerWaalsContact CG-CB 3.49Å; N425-A428 PolarHBondContact O-N 2.96Å; N425-A428 VanDerWaalsContact O-N 3.09Å; N425-A428 WeakPolarHBondContact OD1-CB 3.11Å; N425-A428 PolarHBondContact OD1-N 2.9Å; N425-A428 VanDerWaalsContact OD1-N 3.13Å; A428-G430 VanDerWaalsContact C-N 3.31Å; A428-G430 PolarHBondContact O-N 3.5Å; A428-R431 PolarHBondContact O-N 3.01Å; A428-R431 VanDerWaalsContact O-N 3.13Å; A428-V432 WeakPolarHBondContact O-CG2 3.46Å; A428-V432 PolarHBondContact O-N 3.27Å |
| 429 | V | 59.9 | Low | 58.2 | Low | 98 Ų | 98 | 117.7 Ų | 117.7 | 59% | 0.594 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -61.8 | -41.1 | 177.8 | -176.9 | 0 | 0 | 0 | 0 | 110.5 | N425 R431 V432 L433 | N425-V429 PolarHBondContact O-N 3.38Å; V429-R431 VanDerWaalsContact C-N 3.29Å; V429-R431 PolarHBondContact O-N 2.89Å; V429-V432 PolarHBondContact O-N 3.32Å; V429-L433 VanDerWaalsContact O-CB 3.27Å; V429-L433 WeakPolarHBondContact O-CB 3.46Å; V429-L433 PolarHBondContact O-N 2.88Å |
| 430 | G | 61.1 | Low | 58.2 | Low | 26 Ų | 26 | 114.4 Ų | 114.4 | 27% | 0.268 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -68.1 | -20.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | R426 A428 R434 | R426-G430 PolarHBondContact O-N 3.46Å; A428-G430 VanDerWaalsContact C-N 3.31Å; A428-G430 PolarHBondContact O-N 3.5Å; G430-R434 WeakPolarHBondContact O-CG 3.5Å; G430-R434 PolarHBondContact O-N 3.29Å; G430-R434 PolarHBondContact O-NE 3.24Å |
| 431 | R | 65.3 | Low | 58.3 | Low | 168 Ų | 168 | 118.7 Ų | 118.7 | 63% | 0.634 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -81.8 | -46.5 | 173.2 | -104.8 | -177.4 | -70.6 | -161.6 | 0.8 | 111.1 | N427 A428 V429 L433 R434 Q435 | N427-R431 PolarHBondContact O-NE 3.44Å; A428-R431 PolarHBondContact O-N 3.01Å; A428-R431 VanDerWaalsContact O-N 3.13Å; V429-R431 VanDerWaalsContact C-N 3.29Å; V429-R431 PolarHBondContact O-N 2.89Å; R431-L433 VanDerWaalsContact C-N 3.33Å; R431-L433 PolarHBondContact O-N 3.41Å; R431-R434 PolarHBondContact O-N 2.9Å; R431-R434 VanDerWaalsContact O-N 3.17Å; R431-Q435 PolarHBondContact O-N 2.96Å |
| 432 | V | 64.4 | Low | 58.5 | Low | 69 Ų | 69 | 117.1 Ų | 117.1 | 42% | 0.418 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -60.3 | -45.1 | 175.7 | 174.7 | 0 | 0 | 0 | 0 | 109.9 | A428 V429 R434 Q435 Y436 | A428-V432 WeakPolarHBondContact O-CG2 3.46Å; A428-V432 PolarHBondContact O-N 3.27Å; V429-V432 PolarHBondContact O-N 3.32Å; V432-R434 VanDerWaalsContact C-N 3.31Å; V432-R434 PolarHBondContact O-N 2.94Å; V432-Q435 WeakPolarHBondContact O-CB 3.32Å; V432-Q435 PolarHBondContact O-N 3.34Å; V432-Q435 VanDerWaalsContact O-N 3.14Å; V432-Y436 HydrophobicContact CG1-CD2 3.61Å; V432-Y436 HydrophobicContact CG1-CE2 3.39Å; V432-Y436 WeakPolarHBondContact O-CD2 3.38Å; V432-Y436 PolarHBondContact O-N 3.38Å |
| 433 | L | 59.5 | Low | 58.1 | Low | 118 Ų | 118 | 114.3 Ų | 114.3 | 62% | 0.618 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -65.7 | -30.5 | 177.7 | -142.5 | 76 | 0 | 0 | 0 | 113.1 | V429 R431 K437 | V429-L433 VanDerWaalsContact O-CB 3.27Å; V429-L433 WeakPolarHBondContact O-CB 3.46Å; V429-L433 PolarHBondContact O-N 2.88Å; R431-L433 VanDerWaalsContact C-N 3.33Å; R431-L433 PolarHBondContact O-N 3.41Å; L433-K437 VanDerWaalsContact O-CB 3.27Å; L433-K437 WeakPolarHBondContact O-CB 3.28Å; L433-K437 PolarHBondContact O-N 3.29Å |
| 434 | R | 63.8 | Low | 58 | Low | 193 Ų | 193 | 116.7 Ų | 116.7 | 73% | 0.728 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -71.5 | -37.4 | 172.2 | -88.1 | -176.4 | -111.5 | -146 | -3.1 | 112.2 | G430 R431 V432 K437 A438 | G430-R434 WeakPolarHBondContact O-CG 3.5Å; G430-R434 PolarHBondContact O-N 3.29Å; G430-R434 PolarHBondContact O-NE 3.24Å; R431-R434 PolarHBondContact O-N 2.9Å; R431-R434 VanDerWaalsContact O-N 3.17Å; V432-R434 VanDerWaalsContact C-N 3.31Å; V432-R434 PolarHBondContact O-N 2.94Å; R434-K437 PolarHBondContact O-N 3.07Å; R434-A438 VanDerWaalsContact O-CB 3.26Å; R434-A438 WeakPolarHBondContact O-CB 3.19Å; R434-A438 PolarHBondContact O-N 2.97Å |
| 435 | Q | 62.3 | Low | 57.7 | Low | 127 Ų | 127 | 117.5 Ų | 117.5 | 59% | 0.593 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -64 | -46.3 | 172.1 | -89.4 | 171.8 | -49.1 | 0 | 0 | 111.5 | R431 V432 K437 A438 L439 | R431-Q435 PolarHBondContact O-N 2.96Å; V432-Q435 WeakPolarHBondContact O-CB 3.32Å; V432-Q435 PolarHBondContact O-N 3.34Å; V432-Q435 VanDerWaalsContact O-N 3.14Å; Q435-K437 PolarHBondContact O-N 3.03Å; Q435-A438 PolarHBondContact O-N 3.05Å; Q435-L439 WeakPolarHBondContact O-CB 3.27Å; Q435-L439 WeakPolarHBondContact O-CD1 3.39Å; Q435-L439 WeakPolarHBondContact O-CG 3.47Å; Q435-L439 PolarHBondContact O-N 2.81Å |
| 436 | Y | 55.5 | Low | 57.2 | Low | 116 Ų | 116 | 115.3 Ų | 115.3 | 46% | 0.455 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -62.2 | -40.9 | 174.9 | -79.7 | -74 | 0 | 0 | 0 | 112.2 | V432 A438 L439 G440 W441 | V432-Y436 HydrophobicContact CG1-CD2 3.61Å; V432-Y436 HydrophobicContact CG1-CE2 3.39Å; V432-Y436 WeakPolarHBondContact O-CD2 3.38Å; V432-Y436 PolarHBondContact O-N 3.38Å; Y436-A438 PolarHBondContact O-N 3.24Å; Y436-L439 PolarHBondContact O-N 3.05Å; Y436-G440 PolarHBondContact O-N 2.88Å; Y436-W441 HydrophobicContact CD1-CD2 4.23Å; Y436-W441 HydrophobicContact CD1-CE3 4.02Å; Y436-W441 HydrophobicContact CD1-CG 4.48Å; Y436-W441 HydrophobicContact CE1-CE3 4.47Å; Y436-W441 WeakPolarHBondContact O-CB 3.42Å; Y436-W441 PolarHBondContact O-N 3.5Å |
| 437 | K | 59.3 | Low | 57 | Low | 164 Ų | 164 | 114.8 Ų | 114.8 | 71% | 0.713 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -68.2 | -33.6 | 177.3 | -161.1 | 169.6 | -171.9 | 174.1 | 0 | 113.1 | L433 R434 Q435 L439 G440 | L433-K437 VanDerWaalsContact O-CB 3.27Å; L433-K437 WeakPolarHBondContact O-CB 3.28Å; L433-K437 PolarHBondContact O-N 3.29Å; R434-K437 PolarHBondContact O-N 3.07Å; Q435-K437 PolarHBondContact O-N 3.03Å; K437-L439 VanDerWaalsContact C-N 3.34Å; K437-G440 PolarHBondContact O-N 2.96Å |
| 438 | A | 57.6 | Low | 56.7 | Low | 89 Ų | 89 | 115.7 Ų | 115.7 | 74% | 0.736 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -72.5 | -27.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | R434 Q435 Y436 G440 | R434-A438 VanDerWaalsContact O-CB 3.26Å; R434-A438 WeakPolarHBondContact O-CB 3.19Å; R434-A438 PolarHBondContact O-N 2.97Å; Q435-A438 PolarHBondContact O-N 3.05Å; Y436-A438 PolarHBondContact O-N 3.24Å; A438-G440 PolarHBondContact O-N 2.86Å |
| 439 | L | 62.8 | Low | 56.4 | Low | 135 Ų | 135 | 117.1 Ų | 117.1 | 71% | 0.707 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.1 | 11.8 | 173.3 | -70.2 | 163.4 | 0 | 0 | 0 | 113.1 | Q435 Y436 K437 W441 | Q435-L439 WeakPolarHBondContact O-CB 3.27Å; Q435-L439 WeakPolarHBondContact O-CD1 3.39Å; Q435-L439 WeakPolarHBondContact O-CG 3.47Å; Q435-L439 PolarHBondContact O-N 2.81Å; Y436-L439 PolarHBondContact O-N 3.05Å; K437-L439 VanDerWaalsContact C-N 3.34Å; L439-W441 VanDerWaalsContact C-N 3.28Å; L439-W441 PolarHBondContact O-N 2.89Å |
| 440 | G | 53.6 | Low | 55.9 | Low | 64 Ų | 64 | 119.6 Ų | 119.6 | 66% | 0.66 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 77.1 | 7.1 | 177 | 0 | 0 | 0 | 0 | 0 | 114.9 | Y436 K437 A438 G442 | Y436-G440 PolarHBondContact O-N 2.88Å; K437-G440 PolarHBondContact O-N 2.96Å; A438-G440 PolarHBondContact O-N 2.86Å; G440-G442 PolarHBondContact O-N 3.28Å |
| 441 | W | 54.2 | Low | 55.5 | Low | 201 Ų | 201 | 123.7 Ų | 123.7 | 76% | 0.761 | 65% | 0.653 | S | S | * | * | trans | -75.7 | 66.7 | 166.6 | -87.1 | 37.7 | 0 | 0 | 0 | 110.1 | Y436 L439 G443 | Y436-W441 HydrophobicContact CD1-CD2 4.23Å; Y436-W441 HydrophobicContact CD1-CE3 4.02Å; Y436-W441 HydrophobicContact CD1-CG 4.48Å; Y436-W441 HydrophobicContact CE1-CE3 4.47Å; Y436-W441 WeakPolarHBondContact O-CB 3.42Å; Y436-W441 PolarHBondContact O-N 3.5Å; L439-W441 VanDerWaalsContact C-N 3.28Å; L439-W441 PolarHBondContact O-N 2.89Å; W441-G443 PolarHBondContact O-N 3.37Å | ||
| 442 | G | 54.2 | Low | 55.1 | Low | 56 Ų | 56 | 120.6 Ų | 120.6 | 58% | 0.577 | 65% | 0.646 | S | S | * | * | trans | -85.3 | 95.9 | 158.1 | 0 | 0 | 0 | 0 | 0 | 107.1 | G440 D444 | G440-G442 PolarHBondContact O-N 3.28Å; G442-D444 PolarHBondContact O-N 3.07Å | ||
| 443 | G | 47.1 | Very low | 54.8 | Low | 73 Ų | 73 | 121.9 Ų | 121.9 | 75% | 0.753 | 65% | 0.65 | S | S | * | * | trans | -55.4 | 105.6 | 172.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | W441 M445 | W441-G443 PolarHBondContact O-N 3.37Å; G443-M445 PolarHBondContact O-N 3.2Å | ||
| 444 | D | 49.3 | Very low | 54.8 | Low | 149 Ų | 149 | 120.9 Ų | 120.9 | 80% | 0.797 | 64% | 0.643 | S | S | * | * | trans | -69.6 | 78.2 | 166.9 | -176.5 | 28.3 | 0 | 0 | 0 | 108 | G442 | G442-D444 PolarHBondContact O-N 3.07Š| ||
| 445 | M | 49.1 | Very low | 55.1 | Low | 167 Ų | 167 | 118.3 Ų | 118.3 | 82% | 0.823 | 64% | 0.636 | S | S | * | * | trans | -136.7 | 114.2 | 169.2 | -69.3 | -64.3 | 151.1 | 0 | 0 | 107.6 | G443 | G443-M445 PolarHBondContact O-N 3.2Š| ||
| 446 | G | 49.3 | Very low | 55.5 | Low | 53 Ų | 53 | 115.6 Ų | 115.6 | 55% | 0.546 | 63% | 0.626 | S | S | . | * | trans | -47.5 | 145.8 | -165.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | N448 S449 | G446-N448 PolarHBondContact O-N 3.38Å; G446-S449 PolarHBondContact O-N 2.88Å | ||
| 447 | K | 51.4 | Low | 56.2 | Low | 190 Ų | 190 | 115.3 Ų | 115.3 | 83% | 0.826 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -47.8 | -17.3 | 178.6 | -68.7 | 171.5 | 178.7 | 171.5 | 0 | 114.8 | H451 | K447-H451 PolarHBondContact O-CD2 3.48Å |
| 448 | N | 51.3 | Low | 56.9 | Low | 139 Ų | 139 | 114 Ų | 114 | 74% | 0.743 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -82.4 | -28.1 | -179.3 | -69.5 | -1.5 | 0 | 0 | 0 | 114.6 | G446 Q452 | G446-N448 PolarHBondContact O-N 3.38Å; N448-Q452 PolarHBondContact O-N 2.9Å |
| 449 | S | 53 | Low | 58 | Low | 64 Ų | 64 | 115.8 Ų | 115.8 | 45% | 0.448 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -70.8 | -35.1 | -177.2 | -179.9 | 0 | 0 | 0 | 0 | 112.3 | G446 H451 Q452 N453 | G446-S449 PolarHBondContact O-N 2.88Å; S449-H451 PolarHBondContact O-N 3.28Å; S449-Q452 PolarHBondContact O-N 3.21Å; S449-N453 PolarHBondContact O-N 3.01Å |
| 450 | F | 49.3 | Very low | 58.8 | Low | 150 Ų | 150 | 113.1 Ų | 113.1 | 66% | 0.658 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -67.2 | -38.4 | 179 | -160 | -95.3 | 0 | 0 | 0 | 112.5 | Q454 | F450-Q454 WeakPolarHBondContact O-CB 3.22Å; F450-Q454 PolarHBondContact O-N 2.71Å; F450-Q454 VanDerWaalsContact O-N 3.15Å |
| 451 | H | 53.9 | Low | 59.9 | Low | 113 Ų | 113 | 116.5 Ų | 116.5 | 52% | 0.523 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -70.7 | -34.2 | 175.9 | -78 | -65 | 0 | 0 | 0 | 112.6 | K447 S449 K455 | K447-H451 PolarHBondContact O-CD2 3.48Å; S449-H451 PolarHBondContact O-N 3.28Å; H451-K455 WeakPolarHBondContact O-CG 3.31Å; H451-K455 PolarHBondContact O-N 2.89Å; H451-K455 VanDerWaalsContact O-N 3.09Å |
| 452 | Q | 57.3 | Low | 61.3 | Low | 103 Ų | 103 | 113.2 Ų | 113.2 | 48% | 0.481 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -67.1 | -50.7 | 175.9 | -163.6 | 65.5 | 26.9 | 0 | 0 | 110.8 | N448 S449 Q454 K455 D456 | N448-Q452 PolarHBondContact O-N 2.9Å; S449-Q452 PolarHBondContact O-N 3.21Å; Q452-Q454 PolarHBondContact O-N 3.37Å; Q452-Q454 VanDerWaalsContact O-N 3.17Å; Q452-K455 PolarHBondContact O-N 3.34Å; Q452-D456 VanDerWaalsContact O-CG 3.25Å; Q452-D456 PolarHBondContact O-N 3.24Å |
| 453 | N | 56.5 | Low | 62.9 | Low | 95 Ų | 95 | 114.6 Ų | 114.6 | 51% | 0.508 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -57.5 | -35 | 176.4 | -75.8 | -11.6 | 0 | 0 | 0 | 112.6 | S449 M457 | S449-N453 PolarHBondContact O-N 3.01Å; N453-M457 WeakPolarHBondContact O-CB 3.35Å; N453-M457 VanDerWaalsContact O-CG 3.26Å; N453-M457 WeakPolarHBondContact O-CG 3.44Å; N453-M457 PolarHBondContact O-N 2.86Å |
| 454 | Q | 60.7 | Low | 64.6 | Low | 98 Ų | 98 | 117.6 Ų | 117.6 | 46% | 0.458 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -74.4 | -34.5 | 178.2 | -157.5 | -179 | 65.6 | 0 | 0 | 112.9 | F450 Q452 K458 | F450-Q454 WeakPolarHBondContact O-CB 3.22Å; F450-Q454 PolarHBondContact O-N 2.71Å; F450-Q454 VanDerWaalsContact O-N 3.15Å; Q452-Q454 PolarHBondContact O-N 3.37Å; Q452-Q454 VanDerWaalsContact O-N 3.17Å; Q454-K458 WeakPolarHBondContact O-CG 3.32Å; Q454-K458 PolarHBondContact O-N 3.01Å |
| 455 | K | 69 | Low | 66 | Low | 138 Ų | 138 | 113.4 Ų | 113.4 | 60% | 0.6 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -69.1 | -41 | 172.9 | -74.6 | 176.7 | -177.9 | 178.9 | 0 | 111.1 | H451 Q452 M457 K458 F459 | H451-K455 WeakPolarHBondContact O-CG 3.31Å; H451-K455 PolarHBondContact O-N 2.89Å; H451-K455 VanDerWaalsContact O-N 3.09Å; Q452-K455 PolarHBondContact O-N 3.34Å; K455-M457 PolarHBondContact O-N 3.33Å; K455-K458 PolarHBondContact O-N 2.99Å; K455-F459 PolarHBondContact O-N 3.18Å |
| 456 | D | 71.6 | Confident | 68 | Low | 70 Ų | 70 | 113 Ų | 113 | 37% | 0.374 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -64.9 | -40.9 | 178.7 | -66 | -14.4 | 0 | 0 | 0 | 110.9 | Q452 K458 F459 V460 | Q452-D456 VanDerWaalsContact O-CG 3.25Å; Q452-D456 PolarHBondContact O-N 3.24Å; D456-K458 PolarHBondContact O-N 3.39Å; D456-F459 PolarHBondContact O-N 2.74Å; D456-V460 VanDerWaalsContact O-CG2 3.27Å; D456-V460 WeakPolarHBondContact O-CG2 3.43Å; D456-V460 PolarHBondContact O-N 3.42Å |
| 457 | M | 69.1 | Low | 69.7 | Low | 111 Ų | 111 | 118.4 Ų | 118.4 | 55% | 0.547 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -63 | -39.5 | 173.3 | -74.6 | -64.2 | 103.3 | 0 | 0 | 113.4 | N453 K455 F459 V460 Q461 | N453-M457 WeakPolarHBondContact O-CB 3.35Å; N453-M457 VanDerWaalsContact O-CG 3.26Å; N453-M457 WeakPolarHBondContact O-CG 3.44Å; N453-M457 PolarHBondContact O-N 2.86Å; K455-M457 PolarHBondContact O-N 3.33Å; M457-F459 VanDerWaalsContact C-N 3.34Å; M457-V460 HydrophobicContact CE-CG2 4.39Å; M457-V460 PolarHBondContact O-N 3.36Å; M457-Q461 WeakPolarHBondContact O-CB 3.12Å; M457-Q461 WeakPolarHBondContact O-CG 3.42Å; M457-Q461 PolarHBondContact O-N 3.16Å |
| 458 | K | 75.6 | Confident | 71.3 | Confident | 136 Ų | 136 | 114.3 Ų | 114.3 | 59% | 0.591 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -66 | -38.3 | 174.7 | -74.5 | 178.7 | -179.9 | -179.7 | 0 | 111.8 | Q454 K455 D456 K462 | Q454-K458 WeakPolarHBondContact O-CG 3.32Å; Q454-K458 PolarHBondContact O-N 3.01Å; K455-K458 PolarHBondContact O-N 2.99Å; D456-K458 PolarHBondContact O-N 3.39Å; K458-K462 WeakPolarHBondContact O-CB 3.37Å; K458-K462 PolarHBondContact O-N 3.33Å |
| 459 | F | 80.3 | Confident | 73.1 | Confident | 127 Ų | 127 | 113.2 Ų | 113.2 | 56% | 0.557 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -65.3 | -46.1 | 176.2 | -179.1 | -98.8 | 0 | 0 | 0 | 111.6 | K455 D456 M457 Q461 K462 M463 | K455-F459 PolarHBondContact O-N 3.18Å; D456-F459 PolarHBondContact O-N 2.74Å; M457-F459 VanDerWaalsContact C-N 3.34Å; F459-Q461 VanDerWaalsContact C-N 3.35Å; F459-Q461 PolarHBondContact O-N 3.32Å; F459-K462 PolarHBondContact O-N 3.12Å; F459-M463 HydrophobicContact CD1-CG 4.3Å; F459-M463 HydrophobicContact CE1-CG 3.85Å; F459-M463 HydrophobicContact CE2-CE 3.91Å; F459-M463 HydrophobicContact CE2-CG 4.37Å; F459-M463 HydrophobicContact CZ-CE 3.8Å; F459-M463 HydrophobicContact CZ-CG 3.89Å; F459-M463 HydrophobicContact CZ-SD 4.49Å; F459-M463 PolarHBondContact O-N 3.49Å |
| 460 | V | 78.8 | Confident | 75 | Confident | 78 Ų | 78 | 118 Ų | 118 | 47% | 0.473 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -59.6 | -44.3 | 176.1 | 170.4 | 0 | 0 | 0 | 0 | 111.2 | D456 M457 K462 M463 K464 | D456-V460 VanDerWaalsContact O-CG2 3.27Å; D456-V460 WeakPolarHBondContact O-CG2 3.43Å; D456-V460 PolarHBondContact O-N 3.42Å; M457-V460 HydrophobicContact CE-CG2 4.39Å; M457-V460 PolarHBondContact O-N 3.36Å; V460-K462 PolarHBondContact O-N 3.04Å; V460-M463 PolarHBondContact O-N 3.15Å; V460-K464 WeakPolarHBondContact O-CB 3.4Å; V460-K464 PolarHBondContact O-N 3.42Å |
| 461 | Q | 77.2 | Confident | 76.8 | Confident | 136 Ų | 136 | 114.1 Ų | 114.1 | 64% | 0.636 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -62.3 | -41.6 | 176.2 | -75.7 | 177.7 | -6.4 | 0 | 0 | 112.4 | M457 F459 K464 S465 | M457-Q461 WeakPolarHBondContact O-CB 3.12Å; M457-Q461 WeakPolarHBondContact O-CG 3.42Å; M457-Q461 PolarHBondContact O-N 3.16Å; F459-Q461 VanDerWaalsContact C-N 3.35Å; F459-Q461 PolarHBondContact O-N 3.32Å; Q461-K464 PolarHBondContact O-N 2.83Å; Q461-S465 PolarHBondContact O-N 3.36Å; Q461-S465 PolarHBondContact O-OG 3.44Å |
| 462 | K | 84.4 | Confident | 78.4 | Confident | 131 Ų | 131 | 110.5 Ų | 110.5 | 57% | 0.57 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -67 | -38.2 | 177.2 | -172.6 | 176.7 | -178.3 | 177.7 | 0 | 112.4 | K458 F459 V460 S465 R466 | K458-K462 WeakPolarHBondContact O-CB 3.37Å; K458-K462 PolarHBondContact O-N 3.33Å; F459-K462 PolarHBondContact O-N 3.12Å; V460-K462 PolarHBondContact O-N 3.04Å; K462-S465 PolarHBondContact O-OG 3.32Å; K462-R466 WeakPolarHBondContact O-CG 3.5Å; K462-R466 PolarHBondContact O-N 3.47Å; K462-R466 VanDerWaalsContact O-N 3.1Å |
| 463 | M | 86.9 | Confident | 79.8 | Confident | 86 Ų | 86 | 111.8 Ų | 111.8 | 42% | 0.424 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -66.5 | -43.9 | 175.5 | -80.7 | -67.5 | 149.2 | 0 | 0 | 111.3 | F459 V460 S465 R466 W467 | F459-M463 HydrophobicContact CD1-CG 4.3Å; F459-M463 HydrophobicContact CE1-CG 3.85Å; F459-M463 HydrophobicContact CE2-CE 3.91Å; F459-M463 HydrophobicContact CE2-CG 4.37Å; F459-M463 HydrophobicContact CZ-CE 3.8Å; F459-M463 HydrophobicContact CZ-CG 3.89Å; F459-M463 HydrophobicContact CZ-SD 4.49Å; F459-M463 PolarHBondContact O-N 3.49Å; V460-M463 PolarHBondContact O-N 3.15Å; M463-S465 PolarHBondContact O-N 3.42Å; M463-R466 PolarHBondContact O-N 2.73Å; M463-W467 WeakPolarHBondContact O-CB 3.49Å; M463-W467 PolarHBondContact O-N 3.09Å |
| 464 | K | 82.9 | Confident | 81.1 | Confident | 136 Ų | 136 | 108.6 Ų | 108.6 | 59% | 0.591 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -61.3 | -43.6 | 177 | -166.2 | 178.7 | 180 | 174.7 | 0 | 112 | V460 Q461 W467 M468 | V460-K464 WeakPolarHBondContact O-CB 3.4Å; V460-K464 PolarHBondContact O-N 3.42Å; Q461-K464 PolarHBondContact O-N 2.83Å; K464-W467 PolarHBondContact O-N 3.44Å; K464-M468 HydrophobicContact CG-CE 4.08Å; K464-M468 WeakPolarHBondContact O-CG 3.35Å; K464-M468 PolarHBondContact O-N 3.2Å |
| 465 | S | 79.4 | Confident | 82.2 | Confident | 61 Ų | 61 | 106.6 Ų | 106.6 | 43% | 0.427 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -66.8 | -42.2 | 178.6 | 67.9 | 0 | 0 | 0 | 0 | 112.6 | Q461 K462 M463 W467 M468 L469 | Q461-S465 PolarHBondContact O-N 3.36Å; Q461-S465 PolarHBondContact O-OG 3.44Å; K462-S465 PolarHBondContact O-OG 3.32Å; M463-S465 PolarHBondContact O-N 3.42Å; S465-W467 VanDerWaalsContact C-N 3.33Å; S465-W467 PolarHBondContact O-N 3.22Å; S465-M468 PolarHBondContact O-N 3.29Å; S465-L469 WeakPolarHBondContact O-CB 3.07Å; S465-L469 PolarHBondContact O-N 3.39Å |
| 466 | R | 90 | Very high | 82.7 | Confident | 159 Ų | 159 | 105.3 Ų | 105.3 | 60% | 0.6 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -62.1 | -41.2 | 175 | -73.2 | 179.7 | 94.5 | -179.2 | 7.5 | 111.9 | K462 M463 L469 K470 | K462-R466 WeakPolarHBondContact O-CG 3.5Å; K462-R466 PolarHBondContact O-N 3.47Å; K462-R466 VanDerWaalsContact O-N 3.1Å; M463-R466 PolarHBondContact O-N 2.73Å; R466-L469 PolarHBondContact O-N 3.06Å; R466-K470 WeakPolarHBondContact O-CB 3.09Å; R466-K470 PolarHBondContact O-N 3.2Å |
| 467 | W | 85.1 | Confident | 82.8 | Confident | 166 Ų | 166 | 106.7 Ų | 106.7 | 63% | 0.629 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -65.8 | -45.5 | 178.3 | -176.8 | 85.8 | 0 | 0 | 0 | 111.9 | M463 K464 S465 L469 K470 I471 | M463-W467 WeakPolarHBondContact O-CB 3.49Å; M463-W467 PolarHBondContact O-N 3.09Å; K464-W467 PolarHBondContact O-N 3.44Å; S465-W467 VanDerWaalsContact C-N 3.33Å; S465-W467 PolarHBondContact O-N 3.22Å; W467-L469 VanDerWaalsContact C-N 3.34Å; W467-L469 PolarHBondContact O-N 2.75Å; W467-K470 PolarHBondContact O-N 3.01Å; W467-I471 HydrophobicContact CD2-CD1 3.86Å; W467-I471 HydrophobicContact CD2-CG1 4.38Å; W467-I471 HydrophobicContact CE3-CD1 4.17Å; W467-I471 HydrophobicContact CH2-CD1 3.5Å; W467-I471 HydrophobicContact CZ2-CD1 3.12Å; W467-I471 HydrophobicContact CZ2-CG1 4.38Å; W467-I471 HydrophobicContact CZ3-CD1 4Å; W467-I471 PolarHBondContact O-N 3.45Å |
| 468 | M | 84.6 | Confident | 83.2 | Confident | 103 Ų | 103 | 107.2 Ų | 107.2 | 51% | 0.507 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -61.5 | -41.2 | 176.1 | -73.3 | -173.1 | -63.3 | 0 | 0 | 112.2 | K464 S465 G472 | K464-M468 HydrophobicContact CG-CE 4.08Å; K464-M468 WeakPolarHBondContact O-CG 3.35Å; K464-M468 PolarHBondContact O-N 3.2Å; S465-M468 PolarHBondContact O-N 3.29Å; M468-G472 PolarHBondContact O-N 3.49Å |
| 469 | L | 90.7 | Very high | 83.3 | Confident | 116 Ų | 116 | 108 Ų | 108 | 61% | 0.607 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -62.7 | -46.2 | 175.4 | -166.4 | 101.7 | 0 | 0 | 0 | 111.2 | S465 R466 W467 I471 G472 M473 | S465-L469 WeakPolarHBondContact O-CB 3.07Å; S465-L469 PolarHBondContact O-N 3.39Å; R466-L469 PolarHBondContact O-N 3.06Å; W467-L469 VanDerWaalsContact C-N 3.34Å; W467-L469 PolarHBondContact O-N 2.75Å; L469-I471 PolarHBondContact O-N 2.89Å; L469-G472 PolarHBondContact O-N 3.08Å; L469-M473 HydrophobicContact CD2-SD 3.67Å; L469-M473 HydrophobicContact CG-SD 3.88Å; L469-M473 WeakPolarHBondContact O-CB 3.42Å; L469-M473 VanDerWaalsContact O-CG 3.27Å; L469-M473 WeakPolarHBondContact O-CG 3.38Å; L469-M473 PolarHBondContact O-N 3.26Å |
| 470 | K | 91.6 | Very high | 83.3 | Confident | 165 Ų | 165 | 106.5 Ų | 106.5 | 72% | 0.717 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -61.1 | -44.2 | -179.9 | -167.4 | 176.4 | -166.5 | -180 | 0 | 111.9 | R466 W467 G474 | R466-K470 WeakPolarHBondContact O-CB 3.09Å; R466-K470 PolarHBondContact O-N 3.2Å; W467-K470 PolarHBondContact O-N 3.01Å; K470-G474 PolarHBondContact O-N 3.28Å |
| 471 | I | 86.8 | Confident | 83.1 | Confident | 68 Ų | 68 | 107.8 Ų | 107.8 | 35% | 0.349 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -68 | -42.4 | 176.1 | -71.6 | -165.3 | 0 | 0 | 0 | 111.5 | W467 L469 M473 G474 N475 | W467-I471 HydrophobicContact CD2-CD1 3.86Å; W467-I471 HydrophobicContact CD2-CG1 4.38Å; W467-I471 HydrophobicContact CE3-CD1 4.17Å; W467-I471 HydrophobicContact CH2-CD1 3.5Å; W467-I471 HydrophobicContact CZ2-CD1 3.12Å; W467-I471 HydrophobicContact CZ2-CG1 4.38Å; W467-I471 HydrophobicContact CZ3-CD1 4Å; W467-I471 PolarHBondContact O-N 3.45Å; L469-I471 PolarHBondContact O-N 2.89Å; I471-M473 PolarHBondContact O-N 3.16Å; I471-G474 PolarHBondContact O-N 3.13Å; I471-N475 WeakPolarHBondContact O-CB 3.33Å; I471-N475 PolarHBondContact O-N 2.75Å; I471-N475 PolarHBondContact O-ND2 3.44Å |
| 472 | G | 88.8 | Confident | 83.4 | Confident | 37 Ų | 37 | 109.9 Ų | 109.9 | 38% | 0.381 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -59 | -45.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | M468 L469 N475 N476 | M468-G472 PolarHBondContact O-N 3.49Å; L469-G472 PolarHBondContact O-N 3.08Å; G472-N475 PolarHBondContact O-N 3.1Å; G472-N476 PolarHBondContact O-N 3Å |
| 473 | M | 85.7 | Confident | 83.4 | Confident | 130 Ų | 130 | 110 Ų | 110 | 64% | 0.64 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -65.8 | -39.9 | 176.9 | -67.5 | 170.5 | 76.4 | 0 | 0 | 112.1 | L469 I471 N475 N476 | L469-M473 HydrophobicContact CD2-SD 3.67Å; L469-M473 HydrophobicContact CG-SD 3.88Å; L469-M473 WeakPolarHBondContact O-CB 3.42Å; L469-M473 VanDerWaalsContact O-CG 3.27Å; L469-M473 WeakPolarHBondContact O-CG 3.38Å; L469-M473 PolarHBondContact O-N 3.26Å; I471-M473 PolarHBondContact O-N 3.16Å; M473-N475 VanDerWaalsContact C-N 3.34Å; M473-N475 PolarHBondContact O-N 3Å; M473-N476 PolarHBondContact O-N 3.05Å |
| 474 | G | 84 | Confident | 83.3 | Confident | 28 Ų | 28 | 116.1 Ų | 116.1 | 29% | 0.289 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -65.5 | -35.1 | 175 | 0 | 0 | 0 | 0 | 0 | 113.2 | K470 I471 N476 S477 N478 | K470-G474 PolarHBondContact O-N 3.28Å; I471-G474 PolarHBondContact O-N 3.13Å; G474-N476 VanDerWaalsContact C-N 3.31Å; G474-N476 PolarHBondContact O-N 3.18Å; G474-S477 PolarHBondContact O-N 3.19Å; G474-N478 WeakPolarHBondContact O-CB 3.33Å; G474-N478 PolarHBondContact O-N 2.92Å |
| 475 | N | 84.8 | Confident | 83.4 | Confident | 56 Ų | 56 | 114 Ų | 114 | 30% | 0.299 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -67.5 | -27.4 | 179.3 | -75.1 | -17.4 | 0 | 0 | 0 | 113.4 | I471 G472 M473 S477 K479 | I471-N475 WeakPolarHBondContact O-CB 3.33Å; I471-N475 PolarHBondContact O-N 2.75Å; I471-N475 PolarHBondContact O-ND2 3.44Å; G472-N475 PolarHBondContact O-N 3.1Å; M473-N475 VanDerWaalsContact C-N 3.34Å; M473-N475 PolarHBondContact O-N 3Å; N475-S477 VanDerWaalsContact C-N 3.27Å; N475-S477 PolarHBondContact O-N 3.49Å; N475-K479 HydrophobicContact CB-CD 4.15Å; N475-K479 HydrophobicContact CB-CG 4.19Å; N475-K479 VanDerWaalsContact O-CB 3.28Å; N475-K479 WeakPolarHBondContact O-CB 3.43Å; N475-K479 PolarHBondContact O-N 3.07Å; N475-K479 WeakPolarHBondContact OD1-CE 3.24Å |
| 476 | N | 77.8 | Confident | 83.4 | Confident | 111 Ų | 111 | 120.5 Ų | 120.5 | 59% | 0.594 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -60.8 | -37 | 176.1 | -87.6 | 1.1 | 0 | 0 | 0 | 112.2 | G472 M473 G474 Q480 | G472-N476 PolarHBondContact O-N 3Å; M473-N476 PolarHBondContact O-N 3.05Å; G474-N476 VanDerWaalsContact C-N 3.31Å; G474-N476 PolarHBondContact O-N 3.18Å; N476-Q480 WeakPolarHBondContact O-CB 3.3Å; N476-Q480 WeakPolarHBondContact O-CG 3.35Å |
| 477 | S | 74.2 | Confident | 83.1 | Confident | 99 Ų | 99 | 118.1 Ų | 118.1 | 69% | 0.692 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -87.2 | -42.1 | 176.4 | -169.6 | 0 | 0 | 0 | 0 | 112.1 | G474 N475 | G474-S477 PolarHBondContact O-N 3.19Å; N475-S477 VanDerWaalsContact C-N 3.27Å; N475-S477 PolarHBondContact O-N 3.49Å |
| 478 | N | 76.8 | Confident | 82.3 | Confident | 123 Ų | 123 | 117.5 Ų | 117.5 | 66% | 0.658 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -79 | -23.2 | -171.3 | -70.2 | -15.9 | 0 | 0 | 0 | 113.9 | G474 | G474-N478 WeakPolarHBondContact O-CB 3.33Å; G474-N478 PolarHBondContact O-N 2.92Å |
| 479 | K | 78.2 | Confident | 81.5 | Confident | 151 Ų | 151 | 124.3 Ų | 124.3 | 66% | 0.657 | 62% | 0.624 | S | S | * | * | S | Bend | trans | -107.2 | -6 | -175.3 | -60.2 | -162.8 | 173.4 | -167.4 | 0 | 114.6 | N475 | N475-K479 HydrophobicContact CB-CD 4.15Å; N475-K479 HydrophobicContact CB-CG 4.19Å; N475-K479 VanDerWaalsContact O-CB 3.28Å; N475-K479 WeakPolarHBondContact O-CB 3.43Å; N475-K479 PolarHBondContact O-N 3.07Å; N475-K479 WeakPolarHBondContact OD1-CE 3.24Å |
| 480 | Q | 79.8 | Confident | 81.1 | Confident | 96 Ų | 96 | 124.8 Ų | 124.8 | 45% | 0.449 | 63% | 0.625 | S | S | . | * | trans | -102.7 | 51.4 | 178.1 | -61.1 | -168.4 | -13.3 | 0 | 0 | 111.3 | N476 H482 F483 | N476-Q480 WeakPolarHBondContact O-CB 3.3Å; N476-Q480 WeakPolarHBondContact O-CG 3.35Å; Q480-H482 PolarHBondContact O-N 3.11Å; Q480-F483 HydrophobicContact CB-CB 4.14Å; Q480-F483 PolarHBondContact O-N 2.99Å | ||
| 481 | T | 76.3 | Confident | 80.5 | Confident | 106 Ų | 106 | 122.6 Ų | 122.6 | 65% | 0.65 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.1 | -24.3 | -176.1 | 54.6 | 0 | 0 | 0 | 0 | 113.8 | ||
| 482 | H | 83.1 | Confident | 80.2 | Confident | 179 Ų | 179 | 125.7 Ų | 125.7 | 83% | 0.829 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121 | 42.6 | 177.9 | -54.3 | -66.1 | 0 | 0 | 0 | 111.7 | Q480 R484 | Q480-H482 PolarHBondContact O-N 3.11Å; H482-R484 PolarHBondContact O-N 3.17Å |
| 483 | F | 84.5 | Confident | 79.7 | Confident | 133 Ų | 133 | 130.9 Ų | 130.9 | 58% | 0.583 | 65% | 0.65 | S | S | * | * | trans | -65.7 | 124.9 | 177.8 | -174 | -107.3 | 0 | 0 | 0 | 111.5 | Q480 L485 | Q480-F483 HydrophobicContact CB-CB 4.14Å; Q480-F483 PolarHBondContact O-N 2.99Å; F483-L485 HydrophobicContact CE1-CD2 3.79Å; F483-L485 HydrophobicContact CE1-CG 4.34Å | ||
| 484 | R | 83.7 | Confident | 79.3 | Confident | 215 Ų | 215 | 130.9 Ų | 130.9 | 81% | 0.811 | 65% | 0.651 | S | S | * | * | trans | -108.1 | 119.9 | 178 | -176.4 | 177.5 | 177.3 | 178.8 | 0.6 | 110.1 | H482 Q486 | H482-R484 PolarHBondContact O-N 3.17Å; R484-Q486 PolarHBondContact O-N 3.21Å | ||
| 485 | L | 85.8 | Confident | 79 | Confident | 93 Ų | 93 | 137.8 Ų | 137.8 | 49% | 0.487 | 68% | 0.675 | S | S | . | * | trans | -64.3 | 129 | 173 | -70.6 | 166.8 | 0 | 0 | 0 | 110.1 | F483 M488 | F483-L485 HydrophobicContact CE1-CD2 3.79Å; F483-L485 HydrophobicContact CE1-CG 4.34Å; L485-M488 HydrophobicContact CB-SD 4.31Å | ||
| 486 | Q | 79.3 | Confident | 78.6 | Confident | 197 Ų | 197 | 143.6 Ų | 143.6 | 92% | 0.921 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -83.9 | -24.2 | -179.6 | -77.1 | -176 | -32.9 | 0 | 0 | 113.3 | R484 | R484-Q486 PolarHBondContact O-N 3.21Š|
| 487 | V | 83.1 | Confident | 78.6 | Confident | 109 Ų | 109 | 146.2 Ų | 146.2 | 66% | 0.661 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -117.2 | 114.3 | 174.8 | -177.1 | 0 | 0 | 0 | 0 | 107 | ||
| 488 | M | 69.5 | Low | 79 | Confident | 153 Ų | 153 | 150.1 Ų | 150.1 | 75% | 0.754 | 71% | 0.711 | S | S | * | * | trans | -91 | 120.7 | 169.7 | -58.6 | -63.9 | -140.6 | 0 | 0 | 106.5 | L485 | L485-M488 HydrophobicContact CB-SD 4.31Š| ||
| 489 | F | 67.9 | Low | 79.2 | Confident | 246 Ų | 246 | 152.5 Ų | 152.5 | 100% | 1.079 | 72% | 0.716 | S | S | * | * | trans | -89.4 | 0 | 175.2 | 20.2 | -98.9 | 0 | 0 | 0 | 111.3 |
Retrieved 489 of 489 residues in 1608.7 ms
(Link to these results)