| 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 | 42.8 | Very low | 49.2 | Very low | 249 Ų | 249 | 164.1 Ų | 164.1 | 100% | 1.227 | 87% | 0.866 | S | S | * | * | 0 | 105.9 | 0 | -73.6 | -176.3 | 172.8 | 0 | 0 | 107.8 | |||||
| 2 | S | 43.2 | Very low | 49.6 | Very low | 124 Ų | 124 | 158.5 Ų | 158.5 | 87% | 0.867 | 85% | 0.85 | S | S | * | * | P | Polyproline II helix | trans | -101 | 128.8 | -169.7 | -46.6 | 0 | 0 | 0 | 0 | 109.7 | ||
| 3 | R | 52.1 | Low | 49.9 | Very low | 245 Ų | 245 | 155.6 Ų | 155.6 | 93% | 0.925 | 85% | 0.845 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 139.4 | 175.6 | -100.5 | 179.6 | 167.3 | -172.2 | -3.4 | 110.6 | ||
| 4 | P | 46.8 | Very low | 50.3 | Low | 121 Ų | 121 | 155.6 Ų | 155.6 | 79% | 0.786 | 84% | 0.843 | S | S | * | * | P | Polyproline II helix | trans | -79.7 | 137.7 | 171.9 | 31.6 | -29 | 0 | 0 | 0 | 110.5 | ||
| 5 | M | 52.4 | Low | 50.9 | Low | 180 Ų | 180 | 151.4 Ų | 151.4 | 89% | 0.887 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -81.2 | 128.4 | 171.2 | -71.4 | -152.8 | 162.6 | 0 | 0 | 110.1 | T7 | M5-T7 PolarHBondContact O-N 3.32Š|
| 6 | I | 53.5 | Low | 51.5 | Low | 161 Ų | 161 | 148.4 Ų | 148.4 | 83% | 0.826 | 81% | 0.813 | S | S | * | * | trans | -77 | 109.1 | 170.5 | -63.6 | 173.2 | 0 | 0 | 0 | 107.4 | R8 | I6-R8 PolarHBondContact O-N 3.33Š| ||
| 7 | T | 45.8 | Very low | 52.2 | Low | 125 Ų | 125 | 150.4 Ų | 150.4 | 77% | 0.767 | 82% | 0.815 | S | S | * | * | trans | -72.6 | 111.7 | 171.4 | 54.5 | 0 | 0 | 0 | 0 | 108.8 | M5 S9 | M5-T7 PolarHBondContact O-N 3.32Å; T7-S9 PolarHBondContact O-N 3.45Å | ||
| 8 | R | 48.6 | Very low | 53.6 | Low | 237 Ų | 237 | 146.3 Ų | 146.3 | 89% | 0.894 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 126.1 | 168 | -74.9 | -175.7 | 170.8 | -168.3 | -2.8 | 108.9 | I6 | I6-R8 PolarHBondContact O-N 3.33Š|
| 9 | S | 52.8 | Low | 55.1 | Low | 103 Ų | 103 | 144.4 Ų | 144.4 | 72% | 0.72 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 140.2 | 170.4 | -55.4 | 0 | 0 | 0 | 0 | 110.5 | T7 V11 | T7-S9 PolarHBondContact O-N 3.45Å; S9-V11 PolarHBondContact O-N 3.23Å |
| 10 | P | 50.9 | Low | 56.5 | Low | 122 Ų | 122 | 143.3 Ų | 143.3 | 79% | 0.792 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -68 | 119.5 | 178 | 27.5 | -31.5 | 0 | 0 | 0 | 109.1 | S12 | P10-S12 PolarHBondContact O-N 3.21Š|
| 11 | V | 52.4 | Low | 57.9 | Low | 138 Ų | 138 | 141.5 Ų | 141.5 | 84% | 0.836 | 79% | 0.793 | S | S | * | * | trans | -61.4 | 114.5 | 175.2 | 178.1 | 0 | 0 | 0 | 0 | 108.5 | S9 | S9-V11 PolarHBondContact O-N 3.23Š| ||
| 12 | S | 54.2 | Low | 60.1 | Low | 97 Ų | 97 | 135.7 Ų | 135.7 | 68% | 0.678 | 77% | 0.774 | S | S | * | * | trans | -67 | 138.3 | 161 | -59.4 | 0 | 0 | 0 | 0 | 108.9 | P10 L14 | P10-S12 PolarHBondContact O-N 3.21Å; S12-L14 PolarHBondContact O-N 2.95Å; S12-L14 VanDerWaalsContact O-N 3.1Å | ||
| 13 | P | 53 | Low | 62.2 | Low | 121 Ų | 121 | 133.5 Ų | 133.5 | 79% | 0.786 | 76% | 0.763 | S | S | * | * | trans | -65.7 | 112.9 | 172.3 | 26 | -30.6 | 0 | 0 | 0 | 109.1 | S15 | P13-S15 VanDerWaalsContact C-N 3.28Å; P13-S15 PolarHBondContact O-N 3.1Å | ||
| 14 | L | 55.8 | Low | 64 | Low | 155 Ų | 155 | 130.1 Ų | 130.1 | 81% | 0.812 | 76% | 0.758 | S | S | * | * | trans | -71.5 | 85.7 | 169.2 | -84 | 151 | 0 | 0 | 0 | 108.5 | S12 N16 | S12-L14 PolarHBondContact O-N 2.95Å; S12-L14 VanDerWaalsContact O-N 3.1Å; L14-N16 PolarHBondContact O-N 2.86Å; L14-N16 VanDerWaalsContact O-N 3.15Å | ||
| 15 | S | 59.6 | Low | 66 | Low | 93 Ų | 93 | 129.9 Ų | 129.9 | 65% | 0.65 | 75% | 0.75 | S | S | * | * | trans | -68.7 | 103.7 | 160.9 | 54.9 | 0 | 0 | 0 | 0 | 107.8 | P13 Q17 | P13-S15 VanDerWaalsContact C-N 3.28Å; P13-S15 PolarHBondContact O-N 3.1Å; S15-Q17 PolarHBondContact O-N 3.15Å | ||
| 16 | N | 60.8 | Low | 67.8 | Low | 103 Ų | 103 | 124.6 Ų | 124.6 | 55% | 0.551 | 73% | 0.728 | S | S | * | * | trans | -67.3 | 23.5 | 174.5 | -91.7 | 3.8 | 0 | 0 | 0 | 113.8 | L14 G18 | L14-N16 PolarHBondContact O-N 2.86Å; L14-N16 VanDerWaalsContact O-N 3.15Å; N16-G18 PolarHBondContact O-N 3.16Å; N16-G18 VanDerWaalsContact O-N 3.16Å | ||
| 17 | Q | 63.3 | Low | 69.4 | Low | 182 Ų | 182 | 125.7 Ų | 125.7 | 85% | 0.85 | 73% | 0.727 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71 | 114.1 | 178.7 | -71.6 | -166.7 | -14.2 | 0 | 0 | 109.5 | S15 | S15-Q17 PolarHBondContact O-N 3.15Š|
| 18 | G | 76.1 | Confident | 71.5 | Confident | 78 Ų | 78 | 122.8 Ų | 122.8 | 80% | 0.804 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 104.1 | -3.1 | 172.2 | 0 | 0 | 0 | 0 | 0 | 116.5 | N16 | N16-G18 PolarHBondContact O-N 3.16Å; N16-G18 VanDerWaalsContact O-N 3.16Å |
| 19 | I | 82 | Confident | 73.4 | Confident | 110 Ų | 110 | 114.8 Ų | 114.8 | 56% | 0.564 | 69% | 0.686 | S | S | * | * | P | Polyproline II helix | trans | -92.1 | 121.4 | 173.7 | -56.6 | 174.4 | 0 | 0 | 0 | 108.8 | T21 | I19-T21 PolarHBondContact O-N 3.21Š|
| 20 | P | 83.4 | Confident | 75.3 | Confident | 122 Ų | 122 | 111.3 Ų | 111.3 | 79% | 0.792 | 66% | 0.663 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 121.9 | 173.4 | -22.6 | 33 | 0 | 0 | 0 | 110.9 | ||
| 21 | T | 87.6 | Confident | 77.5 | Confident | 105 Ų | 105 | 109 Ų | 109 | 64% | 0.644 | 65% | 0.648 | S | S | * | * | P | Polyproline II helix | trans | -101.5 | 136.8 | 175.2 | 51 | 0 | 0 | 0 | 0 | 110.3 | I19 A23 | I19-T21 PolarHBondContact O-N 3.21Å; T21-A23 PolarHBondContact O-N 3.35Å |
| 22 | P | 88.3 | Confident | 79.7 | Confident | 128 Ų | 128 | 103.1 Ų | 103.1 | 83% | 0.831 | 61% | 0.613 | S | S | * | * | P | Polyproline II helix | trans | -55 | 132.2 | 173.3 | -25.1 | 34.4 | 0 | 0 | 0 | 111.4 | ||
| 23 | A | 86.8 | Confident | 81.8 | Confident | 77 Ų | 77 | 102.8 Ų | 102.8 | 64% | 0.636 | 60% | 0.6 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 142.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | T21 L25 | T21-A23 PolarHBondContact O-N 3.35Å; A23-L25 PolarHBondContact O-N 3.31Å |
| 24 | Q | 89.6 | Confident | 83.9 | Confident | 174 Ų | 174 | 97 Ų | 97 | 81% | 0.813 | 56% | 0.563 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 124.2 | 171.5 | -170.9 | 172.1 | 6.8 | 0 | 0 | 109.6 | N29 | Q24-N29 PolarHBondContact O-ND2 3.47Å; Q24-N29 VanDerWaalsContact O-ND2 3.12Å |
| 25 | L | 88.8 | Confident | 86 | Confident | 117 Ų | 117 | 90.5 Ų | 90.5 | 61% | 0.613 | 53% | 0.529 | S | S | * | . | P | Polyproline II helix | trans | -77 | 135.2 | 178.1 | -60.1 | -178.2 | 0 | 0 | 0 | 110.4 | A23 | A23-L25 PolarHBondContact O-N 3.31Š|
| 26 | T | 91.5 | Very high | 87.8 | Confident | 68 Ų | 68 | 86 Ų | 86 | 42% | 0.417 | 50% | 0.498 | S | S | . | . | trans | -124.8 | 166.4 | 174.8 | 70.9 | 0 | 0 | 0 | 0 | 107.6 | S28 N29 A30 | T26-S28 PolarHBondContact O-N 3.1Å; T26-S28 VanDerWaalsContact O-N 3.09Å; T26-S28 PolarHBondContact OG1-N 2.82Å; T26-S28 PolarHBondContact OG1-OG 3.45Å; T26-N29 WeakPolarHBondContact CA-OD1 3.45Å; T26-N29 PolarHBondContact N-OD1 3.4Å; T26-N29 PolarHBondContact O-N 2.76Å; T26-N29 PolarHBondContact O-OD1 2.92Å; T26-N29 VanDerWaalsContact O-OD1 3.1Å; T26-N29 PolarHBondContact OG1-N 3.48Å; T26-N29 PolarHBondContact OG1-OD1 2.77Å; T26-A30 VanDerWaalsContact O-CB 3.27Å; T26-A30 WeakPolarHBondContact O-CB 3.42Å; T26-A30 PolarHBondContact O-N 2.67Å | ||
| 27 | K | 87 | Confident | 89.6 | Confident | 185 Ų | 185 | 83 Ų | 83 | 80% | 0.804 | 49% | 0.491 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52 | -35.1 | 172.2 | -76.5 | -175.1 | 175.8 | -177.9 | 0 | 112.6 | L45 | K27-L45 WeakPolarHBondContact O-CB 3.3Å; K27-L45 WeakPolarHBondContact O-CD1 3.11Å |
| 28 | S | 88.5 | Confident | 91.2 | Very high | 63 Ų | 63 | 77.1 Ų | 77.1 | 44% | 0.441 | 48% | 0.479 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.6 | -31.7 | -172.6 | 71.4 | 0 | 0 | 0 | 0 | 114.5 | T26 S44 A46 | T26-S28 PolarHBondContact O-N 3.1Å; T26-S28 VanDerWaalsContact O-N 3.09Å; T26-S28 PolarHBondContact OG1-N 2.82Å; T26-S28 PolarHBondContact OG1-OG 3.45Å; S28-S44 VanDerWaalsContact O-CB 3.31Å; S28-S44 WeakPolarHBondContact O-CB 3.23Å; S28-A46 WeakPolarHBondContact O-CB 3.4Å; S28-A46 PolarHBondContact O-N 3.12Å; S28-A46 VanDerWaalsContact O-N 3.09Å |
| 29 | N | 89.6 | Confident | 92.2 | Very high | 69 Ų | 69 | 76.6 Ų | 76.6 | 37% | 0.369 | 46% | 0.455 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114.1 | -3.2 | -174.1 | 70.9 | -10.2 | 0 | 0 | 0 | 113.6 | Q24 T26 | Q24-N29 PolarHBondContact O-ND2 3.47Å; Q24-N29 VanDerWaalsContact O-ND2 3.12Å; T26-N29 WeakPolarHBondContact CA-OD1 3.45Å; T26-N29 PolarHBondContact N-OD1 3.4Å; T26-N29 PolarHBondContact O-N 2.76Å; T26-N29 PolarHBondContact O-OD1 2.92Å; T26-N29 VanDerWaalsContact O-OD1 3.1Å; T26-N29 PolarHBondContact OG1-N 3.48Å; T26-N29 PolarHBondContact OG1-OD1 2.77Å |
| 30 | A | 93 | Very high | 93 | Very high | 30 Ų | 30 | 76.2 Ų | 76.2 | 25% | 0.248 | 45% | 0.453 | C | S | . | . | S | Bend | trans | -58.7 | 138 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | T26 V32 | T26-A30 VanDerWaalsContact O-CB 3.27Å; T26-A30 WeakPolarHBondContact O-CB 3.42Å; T26-A30 PolarHBondContact O-N 2.67Å; A30-V32 PolarHBondContact O-N 3.25Å |
| 31 | P | 96.6 | Very high | 93.8 | Very high | 73 Ų | 73 | 72.3 Ų | 72.3 | 47% | 0.474 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.5 | 132.9 | 174.9 | -23.6 | 33.7 | 0 | 0 | 0 | 111.5 | T42 S43 | P31-T42 HydrophobicContact CB-CG2 3.97Å; P31-S43 WeakPolarHBondContact CA-O 3.44Å |
| 32 | V | 97.7 | Very high | 94.3 | Very high | 16 Ų | 16 | 70.8 Ų | 70.8 | 10% | 0.097 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 118.6 | 172.4 | -179.2 | 0 | 0 | 0 | 0 | 107.8 | A30 I34 T42 S43 L45 L48 F60 Y75 | A30-V32 PolarHBondContact O-N 3.25Å; V32-I34 HydrophobicContact CG1-CG1 4.17Å; V32-T42 WeakPolarHBondContact O-CA 3.22Å; V32-S43 PolarHBondContact N-O 2.9Å; V32-S43 PolarHBondContact O-N 2.89Å; V32-L45 HydrophobicContact CG2-CD2 4.18Å; V32-L45 HydrophobicContact CG2-CG 4.07Å; V32-L48 HydrophobicContact CB-CD1 3.97Å; V32-L48 HydrophobicContact CG1-CD1 3.77Å; V32-L48 HydrophobicContact CG2-CD1 4.39Å; V32-F60 HydrophobicContact CG1-CD1 4.25Å; V32-F60 HydrophobicContact CG1-CE1 3.74Å; V32-Y75 HydrophobicContact CG1-CD2 3.84Å; V32-Y75 HydrophobicContact CG1-CE2 3.93Å |
| 33 | H | 98.2 | Very high | 94.7 | Very high | 89 Ų | 89 | 65.3 Ų | 65.3 | 41% | 0.412 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 132.8 | 178.3 | -59.3 | -61.6 | 0 | 0 | 0 | 110.5 | M40 Y41 T42 H74 Y75 | H33-M40 HydrophobicContact CB-CE 4.32Å; H33-Y41 WeakPolarHBondContact CA-O 3.5Å; H33-T42 PolarHBondContact CE1-OG1 3.34Å; H33-T42 PolarHBondContact ND1-OG1 3.09Å; H33-H74 HydrophobicContact CB-CB 3.72Å; H33-Y75 PolarHBondContact O-N 3.34Å; H33-Y75 VanDerWaalsContact O-N 3.09Å |
| 34 | I | 98.5 | Very high | 95.3 | Very high | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 126.2 | -176.3 | -43.8 | 168.1 | 0 | 0 | 0 | 107.9 | V32 V36 Y41 L48 F60 Y75 I77 F84 | V32-I34 HydrophobicContact CG1-CG1 4.17Å; I34-V36 HydrophobicContact CB-CG2 4.45Å; I34-V36 HydrophobicContact CG2-CG2 3.74Å; I34-Y41 PolarHBondContact N-O 2.95Å; I34-Y41 PolarHBondContact O-N 2.84Å; I34-L48 HydrophobicContact CD1-CD1 3.81Å; I34-L48 HydrophobicContact CD1-CD2 3.72Å; I34-L48 HydrophobicContact CD1-CG 4.43Å; I34-F60 HydrophobicContact CD1-CE1 4.22Å; I34-F60 HydrophobicContact CD1-CE2 3.95Å; I34-F60 HydrophobicContact CD1-CZ 3.45Å; I34-F60 VanDerWaalsContact CD1-CZ 3.45Å; I34-F60 HydrophobicContact CG1-CE1 4.31Å; I34-F60 HydrophobicContact CG1-CZ 3.77Å; I34-F60 HydrophobicContact CG2-CZ 4.43Å; I34-Y75 WeakPolarHBondContact CA-O 3.31Å; I34-I77 HydrophobicContact CG2-CD1 3.81Å; I34-I77 HydrophobicContact CG2-CG1 3.99Å; I34-F84 HydrophobicContact CD1-CE1 4.45Å; I34-F84 HydrophobicContact CD1-CZ 4.33Å |
| 35 | D | 98.6 | Very high | 95.7 | Very high | 18 Ų | 18 | 57 Ų | 57 | 10% | 0.096 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 116.8 | 167.1 | -175.5 | -15.3 | 0 | 0 | 0 | 108.5 | G38 M40 H74 Y75 F76 I77 | D35-G38 WeakPolarHBondContact OD1-CA 3.43Å; D35-G38 PolarHBondContact OD1-N 3.26Å; D35-M40 HydrophobicContact CB-SD 3.59Å; D35-M40 VanDerWaalsContact CB-SD 3.59Å; D35-H74 WeakPolarHBondContact CB-CE1 3.21Å; D35-H74 WeakPolarHBondContact CB-ND1 3.35Å; D35-H74 IonicContact OD2-CE1 3.61Å; D35-Y75 PolarHBondContact N-O 2.86Å; D35-F76 HydrophobicContact CB-CD2 4.09Å; D35-F76 CarbonylContact O-C 3.56Å; D35-F76 WeakPolarHBondContact O-CA 3.27Å; D35-I77 PolarHBondContact O-N 3.09Å |
| 36 | V | 98.6 | Very high | 96.1 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 98.4 | 178.1 | -170.8 | 0 | 0 | 0 | 0 | 108.6 | I34 G38 H39 Y41 I77 R79 G81 F84 | I34-V36 HydrophobicContact CB-CG2 4.45Å; I34-V36 HydrophobicContact CG2-CG2 3.74Å; V36-G38 PolarHBondContact O-N 3.09Å; V36-H39 PolarHBondContact N-O 3.43Å; V36-H39 PolarHBondContact O-N 2.98Å; V36-Y41 HydrophobicContact CB-CD2 4.34Å; V36-Y41 HydrophobicContact CG2-CD2 4.12Å; V36-I77 CarbonylContact C-O 3.56Å; V36-I77 VanDerWaalsContact CA-O 3.31Å; V36-I77 WeakPolarHBondContact CA-O 3.48Å; V36-I77 HydrophobicContact CG1-CB 4.39Å; V36-I77 HydrophobicContact CG1-CG2 4.45Å; V36-I77 HydrophobicContact CG2-CB 4.3Å; V36-R79 CarbonylContact C-O 3.56Å; V36-R79 HydrophobicContact CG1-CB 4.04Å; V36-G81 WeakPolarHBondContact O-CA 3.17Å; V36-F84 HydrophobicContact CB-CB 4.37Å; V36-F84 HydrophobicContact CB-CD1 4.36Å; V36-F84 HydrophobicContact CB-CG 4.23Å; V36-F84 HydrophobicContact CG1-CB 3.99Å; V36-F84 HydrophobicContact CG1-CD2 4.13Å; V36-F84 HydrophobicContact CG1-CG 4.01Å; V36-F84 HydrophobicContact CG2-CB 4.49Å; V36-F84 HydrophobicContact CG2-CD1 3.65Å; V36-F84 HydrophobicContact CG2-CD2 4.11Å; V36-F84 HydrophobicContact CG2-CE1 3.72Å; V36-F84 HydrophobicContact CG2-CE2 4.2Å; V36-F84 HydrophobicContact CG2-CG 3.83Å; V36-F84 HydrophobicContact CG2-CZ 4.01Å |
| 37 | G | 97.6 | Very high | 96.4 | Very high | 39 Ų | 39 | 51.8 Ų | 51.8 | 40% | 0.402 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.5 | 28.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115 | I77 R79 | G37-I77 PolarHBondContact N-O 2.54Å; G37-R79 VanDerWaalsContact CA-O 3.28Å; G37-R79 WeakPolarHBondContact CA-O 3.47Å; G37-R79 PolarHBondContact N-O 3.43Å |
| 38 | G | 97 | Very high | 97 | Very high | 58 Ų | 58 | 43 Ų | 43 | 60% | 0.598 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 100.8 | -8.4 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | D35 V36 | D35-G38 WeakPolarHBondContact OD1-CA 3.43Å; D35-G38 PolarHBondContact OD1-N 3.26Å; V36-G38 PolarHBondContact O-N 3.09Å |
| 39 | H | 98.4 | Very high | 97.4 | Very high | 67 Ų | 67 | 42 Ų | 42 | 31% | 0.31 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 116.4 | 177.4 | -62.4 | 71.2 | 0 | 0 | 0 | 110.8 | V36 Y41 H82 | V36-H39 PolarHBondContact N-O 3.43Å; V36-H39 PolarHBondContact O-N 2.98Å; H39-Y41 HydrophobicContact CB-CD2 4.34Å; H39-Y41 HydrophobicContact CB-CE2 3.76Å; H39-Y41 WeakPolarHBondContact O-CD2 3.46Å; H39-Y41 PolarHBondContact O-N 2.91Å; H39-H82 AromaticContact CE1-CD2 3.54Å; H39-H82 AromaticContact CE1-NE2 3.59Å; H39-H82 AromaticContact NE2-CD2 3.24Å; H39-H82 PolarHBondContact NE2-CD2 3.2Å; H39-H82 AromaticContact NE2-CE1 3.6Å; H39-H82 AromaticContact NE2-CG 3.93Å; H39-H82 AromaticContact NE2-NE2 2.98Å; H39-H82 PolarHBondContact NE2-NE2 3.01Å |
| 40 | M | 98.4 | Very high | 97.9 | Very high | 103 Ų | 103 | 43 Ų | 43 | 51% | 0.507 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 123.7 | 177.8 | -69.2 | -57 | -58 | 0 | 0 | 112 | H33 D35 H74 | H33-M40 HydrophobicContact CB-CE 4.32Å; D35-M40 HydrophobicContact CB-SD 3.59Å; D35-M40 VanDerWaalsContact CB-SD 3.59Å; M40-H74 HydrophobicContact CE-CB 4.23Å |
| 41 | Y | 98.6 | Very high | 98.1 | Very high | 40 Ų | 40 | 43.6 Ų | 43.6 | 16% | 0.157 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 150.8 | 172.7 | -73.8 | -82.6 | 0 | 0 | 0 | 111.4 | H33 I34 V36 H39 G81 F84 R85 L88 | H33-Y41 WeakPolarHBondContact CA-O 3.5Å; I34-Y41 PolarHBondContact N-O 2.95Å; I34-Y41 PolarHBondContact O-N 2.84Å; V36-Y41 HydrophobicContact CB-CD2 4.34Å; V36-Y41 HydrophobicContact CG2-CD2 4.12Å; H39-Y41 HydrophobicContact CB-CD2 4.34Å; H39-Y41 HydrophobicContact CB-CE2 3.76Å; H39-Y41 WeakPolarHBondContact O-CD2 3.46Å; H39-Y41 PolarHBondContact O-N 2.91Å; Y41-G81 VanDerWaalsContact CE2-O 3.25Å; Y41-G81 WeakPolarHBondContact CE2-O 3.37Å; Y41-G81 VanDerWaalsContact CZ-O 3.27Å; Y41-G81 PolarHBondContact OH-O 2.95Å; Y41-F84 HydrophobicContact CD1-CD1 4.25Å; Y41-F84 AromaticContact CD2-CD1 3.5Å; Y41-F84 HydrophobicContact CD2-CD1 3.5Å; Y41-F84 HydrophobicContact CD2-CE1 4.13Å; Y41-F84 HydrophobicContact CD2-CG 4.44Å; Y41-F84 HydrophobicContact CE1-CD1 4.44Å; Y41-F84 HydrophobicContact CE2-CB 3.99Å; Y41-F84 AromaticContact CE2-CD1 3.72Å; Y41-F84 HydrophobicContact CE2-CD1 3.72Å; Y41-F84 HydrophobicContact CE2-CG 4.31Å; Y41-F84 AromaticContact CG-CD1 3.77Å; Y41-F84 HydrophobicContact CG-CD1 3.77Å; Y41-F84 HydrophobicContact CG-CE1 4.12Å; Y41-R85 HydrophobicContact CE1-CB 4.33Å; Y41-R85 PolarHBondContact OH-N 3.25Å; Y41-L88 HydrophobicContact CD1-CD1 3.36Å; Y41-L88 HydrophobicContact CE1-CD1 4.03Å; Y41-L88 HydrophobicContact CG-CD1 3.78Å |
| 42 | T | 98.5 | Very high | 98.2 | Very high | 73 Ų | 73 | 43.1 Ų | 43.1 | 45% | 0.448 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 130.7 | 169.3 | -55.6 | 0 | 0 | 0 | 0 | 109.4 | P31 V32 H33 R92 | P31-T42 HydrophobicContact CB-CG2 3.97Å; V32-T42 WeakPolarHBondContact O-CA 3.22Å; H33-T42 PolarHBondContact CE1-OG1 3.34Å; H33-T42 PolarHBondContact ND1-OG1 3.09Å; T42-R92 PolarHBondContact O-NH2 3.22Å |
| 43 | S | 98.1 | Very high | 98.2 | Very high | 12 Ų | 12 | 50 Ų | 50 | 8% | 0.084 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | -159.3 | 178.9 | -161.5 | 0 | 0 | 0 | 0 | 110.2 | P31 V32 T47 | P31-S43 WeakPolarHBondContact CA-O 3.44Å; V32-S43 PolarHBondContact N-O 2.9Å; V32-S43 PolarHBondContact O-N 2.89Å; S43-T47 WeakPolarHBondContact OG-CB 3.36Å; S43-T47 WeakPolarHBondContact OG-CG2 3.4Å |
| 44 | S | 98.1 | Very high | 98.2 | Very high | 23 Ų | 23 | 46 Ų | 46 | 16% | 0.161 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 157 | 176 | 63.8 | 0 | 0 | 0 | 0 | 110.3 | S28 A46 T47 L48 | S28-S44 VanDerWaalsContact O-CB 3.31Å; S28-S44 WeakPolarHBondContact O-CB 3.23Å; S44-A46 VanDerWaalsContact C-N 3.26Å; S44-A46 PolarHBondContact O-N 3.32Å; S44-T47 WeakPolarHBondContact O-CB 3.39Å; S44-T47 PolarHBondContact O-N 2.89Å; S44-T47 PolarHBondContact OG-OG1 2.86Å; S44-L48 WeakPolarHBondContact O-CG 3.13Å; S44-L48 PolarHBondContact O-N 3.15Å |
| 45 | L | 97.7 | Very high | 98.2 | Very high | 54 Ų | 54 | 49.1 Ų | 49.1 | 28% | 0.283 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -58 | -39.9 | 176.3 | -72.2 | -178.1 | 0 | 0 | 0 | 111.5 | K27 V32 T47 L48 T49 F60 | K27-L45 WeakPolarHBondContact O-CB 3.3Å; K27-L45 WeakPolarHBondContact O-CD1 3.11Å; V32-L45 HydrophobicContact CG2-CD2 4.18Å; V32-L45 HydrophobicContact CG2-CG 4.07Å; L45-T47 PolarHBondContact O-N 3.11Å; L45-T47 VanDerWaalsContact O-N 3.09Å; L45-L48 PolarHBondContact O-N 3.2Å; L45-L48 VanDerWaalsContact O-N 3.11Å; L45-T49 PolarHBondContact O-N 3.09Å; L45-T49 PolarHBondContact O-OG1 3.05Å; L45-F60 HydrophobicContact CD2-CB 4.08Å; L45-F60 HydrophobicContact CD2-CD1 4.22Å |
| 46 | A | 97.7 | Very high | 98.2 | Very high | 53 Ų | 53 | 48.3 Ų | 48.3 | 44% | 0.438 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -55.3 | -31.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | S28 S44 | S28-A46 WeakPolarHBondContact O-CB 3.4Å; S28-A46 PolarHBondContact O-N 3.12Å; S28-A46 VanDerWaalsContact O-N 3.09Å; S44-A46 VanDerWaalsContact C-N 3.26Å; S44-A46 PolarHBondContact O-N 3.32Å |
| 47 | T | 98.4 | Very high | 98.2 | Very high | 22 Ų | 22 | 48.3 Ų | 48.3 | 14% | 0.135 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -80.9 | -48.1 | 175.9 | -60.5 | 0 | 0 | 0 | 0 | 111.2 | S43 S44 L45 T49 K50 L91 R92 | S43-T47 WeakPolarHBondContact OG-CB 3.36Å; S43-T47 WeakPolarHBondContact OG-CG2 3.4Å; S44-T47 WeakPolarHBondContact O-CB 3.39Å; S44-T47 PolarHBondContact O-N 2.89Å; S44-T47 PolarHBondContact OG-OG1 2.86Å; L45-T47 PolarHBondContact O-N 3.11Å; L45-T47 VanDerWaalsContact O-N 3.09Å; T47-T49 VanDerWaalsContact C-N 3.33Å; T47-T49 PolarHBondContact O-N 3.04Å; T47-K50 WeakPolarHBondContact O-CB 3.49Å; T47-K50 PolarHBondContact O-N 3.45Å; T47-L91 HydrophobicContact CG2-CB 3.67Å; T47-R92 HydrophobicContact CG2-CG 3.68Å |
| 48 | L | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -69.3 | -31.4 | -172.3 | -63.5 | 165.7 | 0 | 0 | 0 | 112.6 | V32 I34 S44 L45 I56 G57 F60 L88 L91 | V32-L48 HydrophobicContact CB-CD1 3.97Å; V32-L48 HydrophobicContact CG1-CD1 3.77Å; V32-L48 HydrophobicContact CG2-CD1 4.39Å; I34-L48 HydrophobicContact CD1-CD1 3.81Å; I34-L48 HydrophobicContact CD1-CD2 3.72Å; I34-L48 HydrophobicContact CD1-CG 4.43Å; S44-L48 WeakPolarHBondContact O-CG 3.13Å; S44-L48 PolarHBondContact O-N 3.15Å; L45-L48 PolarHBondContact O-N 3.2Å; L45-L48 VanDerWaalsContact O-N 3.11Å; L48-I56 HydrophobicContact CD2-CD1 4.17Å; L48-I56 HydrophobicContact CD2-CG1 4.42Å; L48-G57 WeakPolarHBondContact O-CA 3.47Å; L48-F60 HydrophobicContact CB-CB 3.9Å; L48-F60 HydrophobicContact CB-CD2 3.75Å; L48-F60 HydrophobicContact CB-CE2 4.45Å; L48-F60 HydrophobicContact CB-CG 3.8Å; L48-F60 HydrophobicContact CD1-CD1 3.76Å; L48-F60 HydrophobicContact CD1-CD2 3.97Å; L48-F60 HydrophobicContact CD1-CE1 3.81Å; L48-F60 HydrophobicContact CD1-CE2 4.03Å; L48-F60 HydrophobicContact CD1-CG 3.85Å; L48-F60 HydrophobicContact CD1-CZ 3.96Å; L48-F60 HydrophobicContact CD2-CD2 4.18Å; L48-F60 HydrophobicContact CD2-CE2 4.06Å; L48-F60 HydrophobicContact CG-CD2 4.17Å; L48-F60 HydrophobicContact CG-CE2 4.4Å; L48-F60 HydrophobicContact CG-CG 4.34Å; L48-L88 HydrophobicContact CD2-CD2 3.94Å; L48-L91 HydrophobicContact CD2-CD1 4.41Å |
| 49 | T | 98.3 | Very high | 98.3 | Very high | 43 Ų | 43 | 46.6 Ų | 46.6 | 26% | 0.264 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.6 | 10 | 179.3 | 66.2 | 0 | 0 | 0 | 0 | 113.7 | L45 T47 F51 F60 D61 | L45-T49 PolarHBondContact O-N 3.09Å; L45-T49 PolarHBondContact O-OG1 3.05Å; T47-T49 VanDerWaalsContact C-N 3.33Å; T47-T49 PolarHBondContact O-N 3.04Å; T49-F51 PolarHBondContact O-N 3.28Å; T49-F51 VanDerWaalsContact O-N 3.16Å; T49-F60 HydrophobicContact CG2-CB 3.82Å; T49-D61 HydrophobicContact CG2-CB 4.14Å |
| 50 | K | 98.4 | Very high | 98.3 | Very high | 89 Ų | 89 | 44.3 Ų | 44.3 | 39% | 0.387 | 23% | 0.23 | S | C | . | . | S | Bend | trans | -58.9 | -30.7 | -178.9 | -167 | -179.1 | -168.8 | -176.8 | 0 | 113.3 | T47 P52 L91 R92 S94 | T47-K50 WeakPolarHBondContact O-CB 3.49Å; T47-K50 PolarHBondContact O-N 3.45Å; K50-P52 WeakPolarHBondContact O-CD 3.37Å; K50-L91 WeakPolarHBondContact CD-O 3.35Å; K50-L91 PolarHBondContact NZ-O 3.49Å; K50-R92 PolarHBondContact NZ-O 2.97Å; K50-R92 VanDerWaalsContact NZ-O 3.07Å; K50-S94 WeakPolarHBondContact CE-OG 3.49Å; K50-S94 PolarHBondContact NZ-OG 2.8Å |
| 51 | F | 98.4 | Very high | 98.2 | Very high | 43 Ų | 43 | 42.8 Ų | 42.8 | 19% | 0.189 | 22% | 0.224 | C | C | . | . | S | Bend | trans | -118.1 | 85.3 | 176 | -63.1 | -86.9 | 0 | 0 | 0 | 108.8 | T49 E53 S54 F90 L91 L117 P119 | T49-F51 PolarHBondContact O-N 3.28Å; T49-F51 VanDerWaalsContact O-N 3.16Å; F51-E53 PolarHBondContact O-N 2.94Å; F51-S54 WeakPolarHBondContact O-CB 3.35Å; F51-S54 PolarHBondContact O-N 2.79Å; F51-S54 PolarHBondContact O-OG 2.86Å; F51-F90 HydrophobicContact CE2-CD1 4.2Å; F51-F90 AromaticContact CE2-CE1 3.99Å; F51-F90 HydrophobicContact CE2-CE1 3.99Å; F51-F90 HydrophobicContact CZ-CD1 4.41Å; F51-F90 AromaticContact CZ-CE1 3.77Å; F51-F90 HydrophobicContact CZ-CE1 3.77Å; F51-L91 HydrophobicContact CD2-CD2 3.52Å; F51-L91 HydrophobicContact CE2-CD2 4.07Å; F51-L117 HydrophobicContact CB-CD2 4.01Å; F51-L117 HydrophobicContact CD2-CD2 4.1Å; F51-L117 HydrophobicContact CG-CD2 4.14Å; F51-P119 HydrophobicContact CD1-CG 4.04Å; F51-P119 HydrophobicContact CE1-CB 4.26Å; F51-P119 HydrophobicContact CE1-CG 3.83Å |
| 52 | P | 98 | Very high | 98.1 | Very high | 63 Ų | 63 | 44 Ų | 44 | 41% | 0.409 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -30.1 | -173.5 | 24.5 | -34.1 | 0 | 0 | 0 | 113 | K50 S54 R58 | K50-P52 WeakPolarHBondContact O-CD 3.37Å; P52-S54 PolarHBondContact O-N 2.83Å; P52-R58 WeakPolarHBondContact O-CG 3.25Å |
| 53 | E | 97.8 | Very high | 98.1 | Very high | 162 Ų | 162 | 45.2 Ų | 45.2 | 76% | 0.757 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.3 | -11.4 | 176.5 | -54.7 | -52.3 | 140.4 | 0 | 0 | 113.9 | F51 R58 | F51-E53 PolarHBondContact O-N 2.94Å; E53-R58 PolarHBondContact O-NH1 2.8Å |
| 54 | S | 98.7 | Very high | 98 | Very high | 3 Ų | 3 | 46.9 Ų | 46.9 | 2% | 0.021 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -84.4 | 156.4 | 176.2 | 75.2 | 0 | 0 | 0 | 0 | 110.9 | F51 P52 I56 G57 R58 F115 | F51-S54 WeakPolarHBondContact O-CB 3.35Å; F51-S54 PolarHBondContact O-N 2.79Å; F51-S54 PolarHBondContact O-OG 2.86Å; P52-S54 PolarHBondContact O-N 2.83Å; S54-I56 VanDerWaalsContact C-N 3.31Å; S54-I56 PolarHBondContact O-N 3.41Å; S54-I56 VanDerWaalsContact OG-CG2 3.3Å; S54-I56 WeakPolarHBondContact OG-CG2 3.37Å; S54-G57 PolarHBondContact O-N 3.4Å; S54-G57 VanDerWaalsContact O-N 3.15Å; S54-G57 PolarHBondContact OG-N 3.07Å; S54-G57 VanDerWaalsContact OG-N 3.11Å; S54-R58 PolarHBondContact O-N 3.08Å; S54-F115 WeakPolarHBondContact CB-O 3.11Å |
| 55 | R | 98.6 | Very high | 98 | Very high | 67 Ų | 67 | 51.9 Ų | 51.9 | 25% | 0.253 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -61.4 | -41 | 176.4 | -171.5 | -177.4 | 179.4 | -174 | -6.9 | 111.9 | G57 R58 L59 E64 Y114 F115 Q116 | R55-G57 VanDerWaalsContact C-N 3.28Å; R55-G57 PolarHBondContact O-N 3.34Å; R55-R58 PolarHBondContact O-N 3.36Å; R55-L59 HydrophobicContact CG-CD1 4.48Å; R55-L59 WeakPolarHBondContact O-CG 2.94Å; R55-L59 PolarHBondContact O-N 2.85Å; R55-E64 VanDerWaalsContact CG-OE2 3.31Å; R55-E64 WeakPolarHBondContact CG-OE2 3.4Å; R55-E64 IonicContact NE-OE2 3.27Å; R55-E64 PolarHBondContact NE-OE2 3.35Å; R55-Y114 VanDerWaalsContact CD-O 3.28Å; R55-Y114 WeakPolarHBondContact CD-O 3.28Å; R55-Y114 PolarHBondContact NH1-OH 3.16Å; R55-Y114 PolarHBondContact NH2-OH 2.98Å; R55-F115 WeakPolarHBondContact CB-O 3.36Å; R55-F115 PolarHBondContact N-O 2.84Å; R55-Q116 HydrophobicContact CB-CB 4.35Å; R55-Q116 HydrophobicContact CB-CG 4.22Å |
| 56 | I | 98.5 | Very high | 98 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -63.6 | -36.1 | 176.5 | -169.6 | 156.8 | 0 | 0 | 0 | 111.8 | L48 S54 L59 F60 F84 I87 L91 F115 L117 | L48-I56 HydrophobicContact CD2-CD1 4.17Å; L48-I56 HydrophobicContact CD2-CG1 4.42Å; S54-I56 VanDerWaalsContact C-N 3.31Å; S54-I56 PolarHBondContact O-N 3.41Å; S54-I56 VanDerWaalsContact OG-CG2 3.3Å; S54-I56 WeakPolarHBondContact OG-CG2 3.37Å; I56-L59 PolarHBondContact O-N 2.79Å; I56-F60 HydrophobicContact CG1-CD2 4.02Å; I56-F60 HydrophobicContact CG1-CE2 4.12Å; I56-F60 WeakPolarHBondContact O-CD2 3.48Å; I56-F60 PolarHBondContact O-N 3.06Å; I56-F84 HydrophobicContact CD1-CE2 3.63Å; I56-F84 HydrophobicContact CD1-CZ 3.77Å; I56-I87 HydrophobicContact CD1-CG2 4.36Å; I56-L91 HydrophobicContact CD1-CD1 3.92Å; I56-L91 HydrophobicContact CG1-CD1 4.44Å; I56-L91 HydrophobicContact CG2-CD1 4.17Å; I56-L91 HydrophobicContact CG2-CD2 4.29Å; I56-F115 HydrophobicContact CB-CB 4.44Å; I56-F115 HydrophobicContact CB-CD1 3.79Å; I56-F115 HydrophobicContact CB-CE1 4.47Å; I56-F115 HydrophobicContact CB-CG 4.36Å; I56-F115 HydrophobicContact CD1-CD1 4.26Å; I56-F115 HydrophobicContact CD1-CE1 4.28Å; I56-F115 HydrophobicContact CG1-CD1 4.45Å; I56-F115 HydrophobicContact CG2-CB 4.46Å; I56-L117 HydrophobicContact CG2-CD1 4.35Å; I56-L117 HydrophobicContact CG2-CD2 4.33Å; I56-L117 HydrophobicContact CG2-CG 4.4Å |
| 57 | G | 98.4 | Very high | 98 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -58.5 | -52.1 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | L48 S54 R55 L59 F60 D61 | L48-G57 WeakPolarHBondContact O-CA 3.47Å; S54-G57 PolarHBondContact O-N 3.4Å; S54-G57 VanDerWaalsContact O-N 3.15Å; S54-G57 PolarHBondContact OG-N 3.07Å; S54-G57 VanDerWaalsContact OG-N 3.11Å; R55-G57 VanDerWaalsContact C-N 3.28Å; R55-G57 PolarHBondContact O-N 3.34Å; G57-L59 VanDerWaalsContact C-N 3.33Å; G57-L59 PolarHBondContact O-N 2.94Å; G57-F60 CarbonylContact O-C 3.51Å; G57-F60 PolarHBondContact O-N 3.36Å; G57-F60 VanDerWaalsContact O-N 3.08Å; G57-D61 VanDerWaalsContact O-CG 3.31Å; G57-D61 PolarHBondContact O-N 3.44Å |
| 58 | R | 98.7 | Very high | 97.9 | Very high | 48 Ų | 48 | 55.6 Ų | 55.6 | 18% | 0.181 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -62.8 | -33.4 | -180 | -70.6 | -165.7 | -58 | -83.5 | -4.6 | 114.8 | P52 E53 S54 R55 F60 D61 G62 T63 E64 | P52-R58 WeakPolarHBondContact O-CG 3.25Å; E53-R58 PolarHBondContact O-NH1 2.8Å; S54-R58 PolarHBondContact O-N 3.08Å; R55-R58 PolarHBondContact O-N 3.36Å; R58-F60 VanDerWaalsContact C-N 3.29Å; R58-F60 PolarHBondContact O-N 3.34Å; R58-D61 VanDerWaalsContact CA-OD1 3.29Å; R58-D61 WeakPolarHBondContact CA-OD1 3.46Å; R58-G62 PolarHBondContact O-N 3.41Å; R58-T63 HydrophobicContact CB-CG2 4.43Å; R58-T63 HydrophobicContact CG-CG2 4.18Å; R58-T63 PolarHBondContact O-N 3.3Å; R58-E64 HydrophobicContact CB-CB 4.23Å; R58-E64 HydrophobicContact CB-CG 3.97Å; R58-E64 IonicContact CZ-OE1 3.24Å; R58-E64 VanDerWaalsContact CZ-OE1 3.27Å; R58-E64 IonicContact NE-OE1 2.67Å; R58-E64 PolarHBondContact NE-OE1 3.4Å; R58-E64 IonicContact NH2-OE1 3.1Å; R58-E64 PolarHBondContact NH2-OE1 3.47Å; R58-E64 PolarHBondContact O-N 2.84Å |
| 59 | L | 98.4 | Very high | 97.7 | Very high | 14 Ų | 14 | 57.8 Ų | 57.8 | 7% | 0.073 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -64.3 | -34.5 | 174.3 | -73.4 | 171.3 | 0 | 0 | 0 | 112.2 | R55 I56 G57 E64 P65 I66 | R55-L59 HydrophobicContact CG-CD1 4.48Å; R55-L59 WeakPolarHBondContact O-CG 2.94Å; R55-L59 PolarHBondContact O-N 2.85Å; I56-L59 PolarHBondContact O-N 2.79Å; G57-L59 VanDerWaalsContact C-N 3.33Å; G57-L59 PolarHBondContact O-N 2.94Å; L59-E64 HydrophobicContact CD2-CB 3.86Å; L59-E64 HydrophobicContact CG-CB 4.38Å; L59-P65 WeakPolarHBondContact CD2-O 3.29Å; L59-I66 HydrophobicContact CB-CB 4.44Å; L59-I66 HydrophobicContact CB-CD1 4.34Å; L59-I66 HydrophobicContact CD2-CB 4.05Å; L59-I66 HydrophobicContact CD2-CG1 4.48Å |
| 60 | F | 97.9 | Very high | 97.4 | Very high | 18 Ų | 18 | 60 Ų | 60 | 8% | 0.079 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -104 | -8.9 | -175.1 | -73.5 | -75.2 | 0 | 0 | 0 | 114.4 | V32 I34 L45 L48 T49 I56 G57 R58 I66 Y75 I77 | V32-F60 HydrophobicContact CG1-CD1 4.25Å; V32-F60 HydrophobicContact CG1-CE1 3.74Å; I34-F60 HydrophobicContact CD1-CE1 4.22Å; I34-F60 HydrophobicContact CD1-CE2 3.95Å; I34-F60 HydrophobicContact CD1-CZ 3.45Å; I34-F60 VanDerWaalsContact CD1-CZ 3.45Å; I34-F60 HydrophobicContact CG1-CE1 4.31Å; I34-F60 HydrophobicContact CG1-CZ 3.77Å; I34-F60 HydrophobicContact CG2-CZ 4.43Å; L45-F60 HydrophobicContact CD2-CB 4.08Å; L45-F60 HydrophobicContact CD2-CD1 4.22Å; L48-F60 HydrophobicContact CB-CB 3.9Å; L48-F60 HydrophobicContact CB-CD2 3.75Å; L48-F60 HydrophobicContact CB-CE2 4.45Å; L48-F60 HydrophobicContact CB-CG 3.8Å; L48-F60 HydrophobicContact CD1-CD1 3.76Å; L48-F60 HydrophobicContact CD1-CD2 3.97Å; L48-F60 HydrophobicContact CD1-CE1 3.81Å; L48-F60 HydrophobicContact CD1-CE2 4.03Å; L48-F60 HydrophobicContact CD1-CG 3.85Å; L48-F60 HydrophobicContact CD1-CZ 3.96Å; L48-F60 HydrophobicContact CD2-CD2 4.18Å; L48-F60 HydrophobicContact CD2-CE2 4.06Å; L48-F60 HydrophobicContact CG-CD2 4.17Å; L48-F60 HydrophobicContact CG-CE2 4.4Å; L48-F60 HydrophobicContact CG-CG 4.34Å; T49-F60 HydrophobicContact CG2-CB 3.82Å; I56-F60 HydrophobicContact CG1-CD2 4.02Å; I56-F60 HydrophobicContact CG1-CE2 4.12Å; I56-F60 WeakPolarHBondContact O-CD2 3.48Å; I56-F60 PolarHBondContact O-N 3.06Å; G57-F60 CarbonylContact O-C 3.51Å; G57-F60 PolarHBondContact O-N 3.36Å; G57-F60 VanDerWaalsContact O-N 3.08Å; R58-F60 VanDerWaalsContact C-N 3.29Å; R58-F60 PolarHBondContact O-N 3.34Å; F60-I66 HydrophobicContact CE1-CD1 3.85Å; F60-I66 HydrophobicContact CE2-CD1 3.93Å; F60-I66 HydrophobicContact CZ-CD1 3.45Å; F60-I66 VanDerWaalsContact CZ-CD1 3.45Å; F60-Y75 AromaticContact CE1-CD2 3.79Å; F60-Y75 HydrophobicContact CE1-CD2 3.79Å; F60-Y75 HydrophobicContact CE1-CE2 4.17Å; F60-Y75 HydrophobicContact CE1-CG 4.08Å; F60-I77 HydrophobicContact CE2-CD1 4.42Å |
| 61 | D | 96.5 | Very high | 97.1 | Very high | 72 Ų | 72 | 63.7 Ų | 63.7 | 39% | 0.385 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -91.7 | -10.5 | 168 | 72.8 | 21 | 0 | 0 | 0 | 113.2 | T49 G57 R58 T63 | T49-D61 HydrophobicContact CG2-CB 4.14Å; G57-D61 VanDerWaalsContact O-CG 3.31Å; G57-D61 PolarHBondContact O-N 3.44Å; R58-D61 VanDerWaalsContact CA-OD1 3.29Å; R58-D61 WeakPolarHBondContact CA-OD1 3.46Å; D61-T63 WeakPolarHBondContact OD1-CB 3.17Å; D61-T63 PolarHBondContact OD1-N 2.99Å; D61-T63 PolarHBondContact OD1-OG1 2.64Å |
| 62 | G | 96 | Very high | 96.7 | Very high | 64 Ų | 64 | 68 Ų | 68 | 66% | 0.66 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 95.3 | 2.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | R58 | R58-G62 PolarHBondContact O-N 3.41Š|
| 63 | T | 97.9 | Very high | 96.5 | Very high | 99 Ų | 99 | 71.1 Ų | 71.1 | 61% | 0.607 | 39% | 0.388 | S | S | * | . | S | Bend | trans | -69.4 | -38.8 | 176.6 | -54.1 | 0 | 0 | 0 | 0 | 112.1 | R58 D61 | R58-T63 HydrophobicContact CB-CG2 4.43Å; R58-T63 HydrophobicContact CG-CG2 4.18Å; R58-T63 PolarHBondContact O-N 3.3Å; D61-T63 WeakPolarHBondContact OD1-CB 3.17Å; D61-T63 PolarHBondContact OD1-N 2.99Å; D61-T63 PolarHBondContact OD1-OG1 2.64Å |
| 64 | E | 97.7 | Very high | 96.4 | Very high | 48 Ų | 48 | 64.1 Ų | 64.1 | 22% | 0.224 | 36% | 0.355 | C | S | . | . | S | Bend | trans | -110.3 | 138.4 | 173.2 | -74.7 | -177.9 | -145.3 | 0 | 0 | 110.3 | R55 R58 L59 | R55-E64 VanDerWaalsContact CG-OE2 3.31Å; R55-E64 WeakPolarHBondContact CG-OE2 3.4Å; R55-E64 IonicContact NE-OE2 3.27Å; R55-E64 PolarHBondContact NE-OE2 3.35Å; R58-E64 HydrophobicContact CB-CB 4.23Å; R58-E64 HydrophobicContact CB-CG 3.97Å; R58-E64 IonicContact CZ-OE1 3.24Å; R58-E64 VanDerWaalsContact CZ-OE1 3.27Å; R58-E64 IonicContact NE-OE1 2.67Å; R58-E64 PolarHBondContact NE-OE1 3.4Å; R58-E64 IonicContact NH2-OE1 3.1Å; R58-E64 PolarHBondContact NH2-OE1 3.47Å; R58-E64 PolarHBondContact O-N 2.84Å; L59-E64 HydrophobicContact CD2-CB 3.86Å; L59-E64 HydrophobicContact CG-CB 4.38Å |
| 65 | P | 97.7 | Very high | 96.3 | Very high | 127 Ų | 127 | 68 Ų | 68 | 83% | 0.825 | 37% | 0.37 | S | S | * | . | trans | -68.4 | 139.3 | 175.6 | 28.7 | -33.9 | 0 | 0 | 0 | 111 | L59 | L59-P65 WeakPolarHBondContact CD2-O 3.29Š| ||
| 66 | I | 97.6 | Very high | 96.3 | Very high | 39 Ų | 39 | 68 Ų | 68 | 20% | 0.2 | 37% | 0.372 | C | S | . | . | trans | -119.1 | 142.2 | 175.4 | -172.1 | 172 | 0 | 0 | 0 | 109.8 | L59 F60 Y75 I77 | L59-I66 HydrophobicContact CB-CB 4.44Å; L59-I66 HydrophobicContact CB-CD1 4.34Å; L59-I66 HydrophobicContact CD2-CB 4.05Å; L59-I66 HydrophobicContact CD2-CG1 4.48Å; F60-I66 HydrophobicContact CE1-CD1 3.85Å; F60-I66 HydrophobicContact CE2-CD1 3.93Å; F60-I66 HydrophobicContact CZ-CD1 3.45Å; F60-I66 VanDerWaalsContact CZ-CD1 3.45Å; I66-Y75 HydrophobicContact CB-CD1 4.37Å; I66-Y75 HydrophobicContact CD1-CD1 3.93Å; I66-Y75 HydrophobicContact CD1-CG 3.98Å; I66-Y75 HydrophobicContact CG1-CD1 4.05Å; I66-Y75 HydrophobicContact CG2-CD1 3.49Å; I66-Y75 VanDerWaalsContact CG2-CD1 3.49Å; I66-Y75 HydrophobicContact CG2-CE1 3.57Å; I66-I77 HydrophobicContact CD1-CD1 4.48Å; I66-I77 HydrophobicContact CD1-CG1 4.3Å | ||
| 67 | V | 97.4 | Very high | 96.3 | Very high | 92 Ų | 92 | 68.2 Ų | 68.2 | 56% | 0.558 | 37% | 0.373 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 133.4 | 178 | -179.9 | 0 | 0 | 0 | 0 | 109.5 | Y75 F76 | V67-Y75 CarbonylContact O-C 3.48Å; V67-Y75 WeakPolarHBondContact O-CA 3.31Å; V67-F76 HydrophobicContact CB-CB 4.24Å; V67-F76 HydrophobicContact CB-CD1 4.41Å; V67-F76 HydrophobicContact CG1-CB 4.14Å; V67-F76 HydrophobicContact CG1-CD1 4.29Å; V67-F76 PolarHBondContact O-N 3.32Å |
| 68 | L | 96.7 | Very high | 96.3 | Very high | 77 Ų | 77 | 74.2 Ų | 74.2 | 40% | 0.403 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 125.1 | 171.6 | -177.1 | 72.9 | 0 | 0 | 0 | 108.6 | S70 Y75 | L68-S70 PolarHBondContact O-N 2.89Å; L68-S70 VanDerWaalsContact O-N 3.15Å; L68-Y75 HydrophobicContact CD1-CD1 4.02Å; L68-Y75 HydrophobicContact CD1-CE1 4.07Å; L68-Y75 HydrophobicContact CD1-CG 4.44Å |
| 69 | D | 94 | Very high | 96.3 | Very high | 45 Ų | 45 | 75.5 Ų | 75.5 | 24% | 0.241 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 102.3 | 167.7 | -174.4 | -36 | 0 | 0 | 0 | 108.1 | L71 K72 Q73 H74 | D69-L71 PolarHBondContact O-N 3.36Å; D69-L71 WeakPolarHBondContact OD1-CA 3.46Å; D69-L71 WeakPolarHBondContact OD1-CB 3.34Å; D69-L71 PolarHBondContact OD1-N 3.46Å; D69-K72 HydrophobicContact CB-CB 4.32Å; D69-K72 PolarHBondContact O-N 3.48Å; D69-K72 PolarHBondContact OD1-N 2.93Å; D69-K72 WeakPolarHBondContact OD2-CD 3.35Å; D69-Q73 VanDerWaalsContact O-CA 3.3Å; D69-Q73 WeakPolarHBondContact O-CA 3.33Å; D69-Q73 PolarHBondContact O-N 3.47Å; D69-H74 PolarHBondContact N-O 3.22Å |
| 70 | S | 92.4 | Very high | 96.3 | Very high | 90 Ų | 90 | 77.7 Ų | 77.7 | 63% | 0.629 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | -21.1 | -178.6 | -59.3 | 0 | 0 | 0 | 0 | 113.7 | L68 Q73 | L68-S70 PolarHBondContact O-N 2.89Å; L68-S70 VanDerWaalsContact O-N 3.15Å; S70-Q73 PolarHBondContact O-NE2 3.38Å |
| 71 | L | 91.8 | Very high | 96.4 | Very high | 166 Ų | 166 | 77 Ų | 77 | 87% | 0.869 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.6 | -44.4 | 178.3 | -63.5 | 175 | 0 | 0 | 0 | 110.7 | D69 | D69-L71 PolarHBondContact O-N 3.36Å; D69-L71 WeakPolarHBondContact OD1-CA 3.46Å; D69-L71 WeakPolarHBondContact OD1-CB 3.34Å; D69-L71 PolarHBondContact OD1-N 3.46Å |
| 72 | K | 90.1 | Very high | 96.4 | Very high | 133 Ų | 133 | 79.3 Ų | 79.3 | 58% | 0.578 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.9 | -9.3 | -175.8 | -58.1 | 179.5 | -175.2 | 166.9 | 0 | 114.3 | D69 H74 | D69-K72 HydrophobicContact CB-CB 4.32Å; D69-K72 PolarHBondContact O-N 3.48Å; D69-K72 PolarHBondContact OD1-N 2.93Å; D69-K72 WeakPolarHBondContact OD2-CD 3.35Å; K72-H74 WeakPolarHBondContact CB-CD2 3.5Å; K72-H74 WeakPolarHBondContact CB-NE2 3.41Å; K72-H74 WeakPolarHBondContact CD-NE2 3.28Å; K72-H74 PolarHBondContact O-CD2 3.08Å; K72-H74 PolarHBondContact O-N 2.92Å |
| 73 | Q | 93.4 | Very high | 96.6 | Very high | 130 Ų | 130 | 76.7 Ų | 76.7 | 61% | 0.607 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.4 | 42.2 | 177.4 | -63.7 | -68 | -51.3 | 0 | 0 | 114.1 | D69 S70 | D69-Q73 VanDerWaalsContact O-CA 3.3Å; D69-Q73 WeakPolarHBondContact O-CA 3.33Å; D69-Q73 PolarHBondContact O-N 3.47Å; S70-Q73 PolarHBondContact O-NE2 3.38Å |
| 74 | H | 95 | Very high | 96.6 | Very high | 15 Ų | 15 | 72 Ų | 72 | 7% | 0.069 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 158.1 | 171.5 | 60.1 | 85.6 | 0 | 0 | 0 | 111.5 | H33 D35 M40 D69 K72 | H33-H74 HydrophobicContact CB-CB 3.72Å; D35-H74 WeakPolarHBondContact CB-CE1 3.21Å; D35-H74 WeakPolarHBondContact CB-ND1 3.35Å; D35-H74 IonicContact OD2-CE1 3.61Å; M40-H74 HydrophobicContact CE-CB 4.23Å; D69-H74 PolarHBondContact N-O 3.22Å; K72-H74 WeakPolarHBondContact CB-CD2 3.5Å; K72-H74 WeakPolarHBondContact CB-NE2 3.41Å; K72-H74 WeakPolarHBondContact CD-NE2 3.28Å; K72-H74 PolarHBondContact O-CD2 3.08Å; K72-H74 PolarHBondContact O-N 2.92Å |
| 75 | Y | 98.3 | Very high | 96.7 | Very high | 83 Ų | 83 | 75.2 Ų | 75.2 | 33% | 0.325 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 156.1 | 177.2 | -63.8 | -74.5 | 0 | 0 | 0 | 111.1 | V32 H33 I34 D35 F60 I66 V67 L68 | V32-Y75 HydrophobicContact CG1-CD2 3.84Å; V32-Y75 HydrophobicContact CG1-CE2 3.93Å; H33-Y75 PolarHBondContact O-N 3.34Å; H33-Y75 VanDerWaalsContact O-N 3.09Å; I34-Y75 WeakPolarHBondContact CA-O 3.31Å; D35-Y75 PolarHBondContact N-O 2.86Å; F60-Y75 AromaticContact CE1-CD2 3.79Å; F60-Y75 HydrophobicContact CE1-CD2 3.79Å; F60-Y75 HydrophobicContact CE1-CE2 4.17Å; F60-Y75 HydrophobicContact CE1-CG 4.08Å; I66-Y75 HydrophobicContact CB-CD1 4.37Å; I66-Y75 HydrophobicContact CD1-CD1 3.93Å; I66-Y75 HydrophobicContact CD1-CG 3.98Å; I66-Y75 HydrophobicContact CG1-CD1 4.05Å; I66-Y75 HydrophobicContact CG2-CD1 3.49Å; I66-Y75 VanDerWaalsContact CG2-CD1 3.49Å; I66-Y75 HydrophobicContact CG2-CE1 3.57Å; V67-Y75 CarbonylContact O-C 3.48Å; V67-Y75 WeakPolarHBondContact O-CA 3.31Å; L68-Y75 HydrophobicContact CD1-CD1 4.02Å; L68-Y75 HydrophobicContact CD1-CE1 4.07Å; L68-Y75 HydrophobicContact CD1-CG 4.44Å |
| 76 | F | 98.3 | Very high | 96.7 | Very high | 68 Ų | 68 | 70.6 Ų | 70.6 | 30% | 0.298 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 135.9 | 177.8 | 176.4 | -107.7 | 0 | 0 | 0 | 111.7 | D35 V67 D78 | D35-F76 HydrophobicContact CB-CD2 4.09Å; D35-F76 CarbonylContact O-C 3.56Å; D35-F76 WeakPolarHBondContact O-CA 3.27Å; V67-F76 HydrophobicContact CB-CB 4.24Å; V67-F76 HydrophobicContact CB-CD1 4.41Å; V67-F76 HydrophobicContact CG1-CB 4.14Å; V67-F76 HydrophobicContact CG1-CD1 4.29Å; V67-F76 PolarHBondContact O-N 3.32Å; F76-D78 HydrophobicContact CE1-CB 3.74Å; F76-D78 HydrophobicContact CZ-CB 3.83Å |
| 77 | I | 98.5 | Very high | 96.8 | Very high | 5 Ų | 5 | 68.8 Ų | 68.8 | 3% | 0.026 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 118.8 | 174.2 | -57.4 | 179.1 | 0 | 0 | 0 | 108 | I34 D35 V36 G37 F60 I66 R79 F115 | I34-I77 HydrophobicContact CG2-CD1 3.81Å; I34-I77 HydrophobicContact CG2-CG1 3.99Å; D35-I77 PolarHBondContact O-N 3.09Å; V36-I77 CarbonylContact C-O 3.56Å; V36-I77 VanDerWaalsContact CA-O 3.31Å; V36-I77 WeakPolarHBondContact CA-O 3.48Å; V36-I77 HydrophobicContact CG1-CB 4.39Å; V36-I77 HydrophobicContact CG1-CG2 4.45Å; V36-I77 HydrophobicContact CG2-CB 4.3Å; G37-I77 PolarHBondContact N-O 2.54Å; F60-I77 HydrophobicContact CE2-CD1 4.42Å; I66-I77 HydrophobicContact CD1-CD1 4.48Å; I66-I77 HydrophobicContact CD1-CG1 4.3Å; I77-R79 VanDerWaalsContact C-N 3.28Å; I77-R79 HydrophobicContact CG2-CB 3.96Å; I77-R79 HydrophobicContact CG2-CG 3.68Å; I77-R79 PolarHBondContact O-N 2.82Å; I77-F115 HydrophobicContact CD1-CE1 4.32Å; I77-F115 HydrophobicContact CG2-CE1 4.21Å; I77-F115 HydrophobicContact CG2-CZ 4.09Å |
| 78 | D | 98.3 | Very high | 96.8 | Very high | 126 Ų | 126 | 64.4 Ų | 64.4 | 67% | 0.674 | 31% | 0.311 | S | S | * | . | trans | -81.3 | 70.5 | 179.8 | -170.4 | 21.6 | 0 | 0 | 0 | 111.4 | F76 | F76-D78 HydrophobicContact CE1-CB 3.74Å; F76-D78 HydrophobicContact CZ-CB 3.83Å | ||
| 79 | R | 98.7 | Very high | 96.9 | Very high | 74 Ų | 74 | 62.9 Ų | 62.9 | 28% | 0.279 | 30% | 0.303 | S | S | . | . | S | Bend | trans | -142.2 | 174.3 | -177.8 | -67.8 | -53.7 | -66.2 | 176 | -1.2 | 112.3 | V36 G37 I77 G81 E111 Y114 F115 | V36-R79 CarbonylContact C-O 3.56Å; V36-R79 HydrophobicContact CG1-CB 4.04Å; G37-R79 VanDerWaalsContact CA-O 3.28Å; G37-R79 WeakPolarHBondContact CA-O 3.47Å; G37-R79 PolarHBondContact N-O 3.43Å; I77-R79 VanDerWaalsContact C-N 3.28Å; I77-R79 HydrophobicContact CG2-CB 3.96Å; I77-R79 HydrophobicContact CG2-CG 3.68Å; I77-R79 PolarHBondContact O-N 2.82Å; R79-G81 PolarHBondContact O-N 3.32Å; R79-G81 VanDerWaalsContact O-N 3.14Å; R79-E111 WeakPolarHBondContact CB-OE2 3.5Å; R79-E111 IonicContact CZ-OE1 3.81Å; R79-E111 VanDerWaalsContact CZ-OE1 3.3Å; R79-E111 IonicContact CZ-OE2 2.75Å; R79-E111 IonicContact NE-OE1 2.88Å; R79-E111 PolarHBondContact NE-OE1 3.14Å; R79-E111 IonicContact NE-OE2 3.75Å; R79-E111 PolarHBondContact NE-OE2 3.18Å; R79-E111 IonicContact NH2-OE1 2.89Å; R79-E111 PolarHBondContact NH2-OE1 2.9Å; R79-E111 IonicContact NH2-OE2 3.12Å; R79-Y114 HydrophobicContact CG-CD1 3.87Å; R79-Y114 HydrophobicContact CG-CE1 3.5Å; R79-Y114 VanDerWaalsContact CG-CE1 3.5Å; R79-Y114 HydrophobicContact CG-CE2 4.13Å; R79-Y114 HydrophobicContact CG-CG 4.37Å; R79-F115 HydrophobicContact CB-CZ 4.49Å; R79-F115 HydrophobicContact CG-CZ 4.3Å |
| 80 | D | 98.6 | Very high | 97.2 | Very high | 60 Ų | 60 | 61 Ų | 61 | 32% | 0.321 | 29% | 0.292 | S | S | . | . | trans | -67 | 110.4 | 179.5 | -172.6 | -66.6 | 0 | 0 | 0 | 111.7 | H82 M83 F84 E111 | D80-H82 VanDerWaalsContact C-N 3.33Å; D80-H82 PolarHBondContact O-N 2.95Å; D80-H82 WeakPolarHBondContact OD1-CA 3.3Å; D80-H82 WeakPolarHBondContact OD1-CB 3.42Å; D80-H82 PolarHBondContact OD1-N 3Å; D80-M83 HydrophobicContact CB-CB 4.34Å; D80-M83 HydrophobicContact CB-CG 4.48Å; D80-M83 PolarHBondContact OD1-N 2.98Å; D80-F84 PolarHBondContact O-N 3.24Å; D80-E111 HydrophobicContact CB-CG 4.36Å | ||
| 81 | G | 98.4 | Very high | 97.5 | Very high | 3 Ų | 3 | 56.7 Ų | 56.7 | 3% | 0.031 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -67.6 | -26.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | V36 Y41 R79 | V36-G81 WeakPolarHBondContact O-CA 3.17Å; Y41-G81 VanDerWaalsContact CE2-O 3.25Å; Y41-G81 WeakPolarHBondContact CE2-O 3.37Å; Y41-G81 VanDerWaalsContact CZ-O 3.27Å; Y41-G81 PolarHBondContact OH-O 2.95Å; R79-G81 PolarHBondContact O-N 3.32Å; R79-G81 VanDerWaalsContact O-N 3.14Å |
| 82 | H | 98.3 | Very high | 97.8 | Very high | 121 Ų | 121 | 54 Ų | 54 | 56% | 0.56 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -72 | -44.2 | 178.3 | -76.6 | -87.4 | 0 | 0 | 0 | 111.7 | H39 D80 F84 R85 | H39-H82 AromaticContact CE1-CD2 3.54Å; H39-H82 AromaticContact CE1-NE2 3.59Å; H39-H82 AromaticContact NE2-CD2 3.24Å; H39-H82 PolarHBondContact NE2-CD2 3.2Å; H39-H82 AromaticContact NE2-CE1 3.6Å; H39-H82 AromaticContact NE2-CG 3.93Å; H39-H82 AromaticContact NE2-NE2 2.98Å; H39-H82 PolarHBondContact NE2-NE2 3.01Å; D80-H82 VanDerWaalsContact C-N 3.33Å; D80-H82 PolarHBondContact O-N 2.95Å; D80-H82 WeakPolarHBondContact OD1-CA 3.3Å; D80-H82 WeakPolarHBondContact OD1-CB 3.42Å; D80-H82 PolarHBondContact OD1-N 3Å; H82-F84 VanDerWaalsContact C-N 3.3Å; H82-F84 PolarHBondContact O-N 3.29Å; H82-R85 WeakPolarHBondContact O-CB 3.47Å; H82-R85 PolarHBondContact O-N 2.73Å |
| 83 | M | 98.6 | Very high | 98.2 | Very high | 10 Ų | 10 | 50.7 Ų | 50.7 | 5% | 0.049 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -70 | -29 | 179 | -69.2 | -54.2 | 114.5 | 0 | 0 | 112.3 | D80 R85 Y86 I87 F102 D104 L107 L108 E111 | D80-M83 HydrophobicContact CB-CB 4.34Å; D80-M83 HydrophobicContact CB-CG 4.48Å; D80-M83 PolarHBondContact OD1-N 2.98Å; M83-R85 PolarHBondContact O-N 2.94Å; M83-R85 VanDerWaalsContact O-N 3.08Å; M83-Y86 HydrophobicContact CE-CE2 4.23Å; M83-Y86 PolarHBondContact O-N 3.29Å; M83-Y86 HydrophobicContact SD-CD2 4.17Å; M83-Y86 HydrophobicContact SD-CE2 4.21Å; M83-I87 PolarHBondContact O-N 2.63Å; M83-F102 HydrophobicContact SD-CZ 4.47Å; M83-D104 HydrophobicContact CE-CB 3.82Å; M83-D104 HydrophobicContact SD-CB 4.11Å; M83-L107 HydrophobicContact CG-CB 3.89Å; M83-L107 HydrophobicContact SD-CB 3.94Å; M83-L108 HydrophobicContact CB-CD1 4.47Å; M83-L108 HydrophobicContact SD-CB 3.89Å; M83-E111 HydrophobicContact CB-CB 4.28Å; M83-E111 HydrophobicContact CB-CG 3.54Å; M83-E111 HydrophobicContact CG-CG 4.23Å |
| 84 | F | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -56.9 | -27 | 177.7 | -165.2 | -107.3 | 0 | 0 | 0 | 113.9 | I34 V36 Y41 I56 D80 H82 Y86 I87 L88 F115 | I34-F84 HydrophobicContact CD1-CE1 4.45Å; I34-F84 HydrophobicContact CD1-CZ 4.33Å; V36-F84 HydrophobicContact CB-CB 4.37Å; V36-F84 HydrophobicContact CB-CD1 4.36Å; V36-F84 HydrophobicContact CB-CG 4.23Å; V36-F84 HydrophobicContact CG1-CB 3.99Å; V36-F84 HydrophobicContact CG1-CD2 4.13Å; V36-F84 HydrophobicContact CG1-CG 4.01Å; V36-F84 HydrophobicContact CG2-CB 4.49Å; V36-F84 HydrophobicContact CG2-CD1 3.65Å; V36-F84 HydrophobicContact CG2-CD2 4.11Å; V36-F84 HydrophobicContact CG2-CE1 3.72Å; V36-F84 HydrophobicContact CG2-CE2 4.2Å; V36-F84 HydrophobicContact CG2-CG 3.83Å; V36-F84 HydrophobicContact CG2-CZ 4.01Å; Y41-F84 HydrophobicContact CD1-CD1 4.25Å; Y41-F84 AromaticContact CD2-CD1 3.5Å; Y41-F84 HydrophobicContact CD2-CD1 3.5Å; Y41-F84 HydrophobicContact CD2-CE1 4.13Å; Y41-F84 HydrophobicContact CD2-CG 4.44Å; Y41-F84 HydrophobicContact CE1-CD1 4.44Å; Y41-F84 HydrophobicContact CE2-CB 3.99Å; Y41-F84 AromaticContact CE2-CD1 3.72Å; Y41-F84 HydrophobicContact CE2-CD1 3.72Å; Y41-F84 HydrophobicContact CE2-CG 4.31Å; Y41-F84 AromaticContact CG-CD1 3.77Å; Y41-F84 HydrophobicContact CG-CD1 3.77Å; Y41-F84 HydrophobicContact CG-CE1 4.12Å; I56-F84 HydrophobicContact CD1-CE2 3.63Å; I56-F84 HydrophobicContact CD1-CZ 3.77Å; D80-F84 PolarHBondContact O-N 3.24Å; H82-F84 VanDerWaalsContact C-N 3.3Å; H82-F84 PolarHBondContact O-N 3.29Å; F84-Y86 VanDerWaalsContact C-N 3.27Å; F84-Y86 PolarHBondContact O-N 3.38Å; F84-I87 HydrophobicContact CD2-CB 4.22Å; F84-I87 HydrophobicContact CD2-CG2 4.38Å; F84-I87 HydrophobicContact CE2-CG2 4.31Å; F84-I87 WeakPolarHBondContact O-CB 3.35Å; F84-I87 PolarHBondContact O-N 3.34Å; F84-L88 HydrophobicContact CD1-CD1 3.73Å; F84-L88 HydrophobicContact CD1-CG 3.77Å; F84-L88 HydrophobicContact CE1-CD1 3.54Å; F84-L88 HydrophobicContact CE1-CD2 3.8Å; F84-L88 HydrophobicContact CE1-CG 3.45Å; F84-L88 VanDerWaalsContact CE1-CG 3.45Å; F84-L88 HydrophobicContact CZ-CD2 4.07Å; F84-L88 HydrophobicContact CZ-CG 4.07Å; F84-L88 PolarHBondContact O-N 3.11Å; F84-F115 AromaticContact CD2-CE2 3.78Å; F84-F115 HydrophobicContact CD2-CE2 3.78Å; F84-F115 AromaticContact CD2-CZ 3.76Å; F84-F115 HydrophobicContact CD2-CZ 3.76Å; F84-F115 HydrophobicContact CE2-CE1 4.26Å; F84-F115 HydrophobicContact CE2-CE2 4.03Å; F84-F115 AromaticContact CE2-CZ 3.68Å; F84-F115 HydrophobicContact CE2-CZ 3.68Å |
| 85 | R | 98.6 | Very high | 98.5 | Very high | 116 Ų | 116 | 52.6 Ų | 52.6 | 44% | 0.438 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -55 | -43.2 | 172.9 | -173 | -179.6 | 74.4 | 103.3 | -4.2 | 112.2 | Y41 H82 M83 N89 | Y41-R85 HydrophobicContact CE1-CB 4.33Å; Y41-R85 PolarHBondContact OH-N 3.25Å; H82-R85 WeakPolarHBondContact O-CB 3.47Å; H82-R85 PolarHBondContact O-N 2.73Å; M83-R85 PolarHBondContact O-N 2.94Å; M83-R85 VanDerWaalsContact O-N 3.08Å; R85-N89 WeakPolarHBondContact O-CB 3.33Å; R85-N89 PolarHBondContact O-N 3.04Å; R85-N89 PolarHBondContact O-ND2 3.02Å |
| 86 | Y | 98.8 | Very high | 98.5 | Very high | 30 Ų | 30 | 50 Ų | 50 | 12% | 0.118 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -73.3 | -37.3 | -179.6 | -60 | -75.4 | 0 | 0 | 0 | 111.4 | M83 F84 N89 F90 I98 F102 L108 | M83-Y86 HydrophobicContact CE-CE2 4.23Å; M83-Y86 PolarHBondContact O-N 3.29Å; M83-Y86 HydrophobicContact SD-CD2 4.17Å; M83-Y86 HydrophobicContact SD-CE2 4.21Å; F84-Y86 VanDerWaalsContact C-N 3.27Å; F84-Y86 PolarHBondContact O-N 3.38Å; Y86-N89 PolarHBondContact O-N 3.28Å; Y86-F90 WeakPolarHBondContact O-CB 3.37Å; Y86-F90 PolarHBondContact O-N 3.42Å; Y86-I98 HydrophobicContact CD1-CG2 3.79Å; Y86-I98 HydrophobicContact CE1-CG2 4Å; Y86-F102 HydrophobicContact CD2-CZ 4.41Å; Y86-F102 HydrophobicContact CE1-CE2 4.13Å; Y86-F102 AromaticContact CE2-CE2 3.85Å; Y86-F102 HydrophobicContact CE2-CE2 3.85Å; Y86-F102 AromaticContact CE2-CZ 3.95Å; Y86-F102 HydrophobicContact CE2-CZ 3.95Å; Y86-F102 AromaticContact CZ-CE2 3.52Å; Y86-F102 WeakPolarHBondContact OH-CE2 3.49Å; Y86-L108 HydrophobicContact CD2-CD1 4.16Å; Y86-L108 HydrophobicContact CD2-CD2 4.27Å; Y86-L108 HydrophobicContact CG-CD1 4.18Å; Y86-L108 HydrophobicContact CG-CD2 3.98Å |
| 87 | I | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -55.8 | -52.9 | 171.3 | -56.4 | -58.6 | 0 | 0 | 0 | 109.8 | I56 M83 F84 N89 F90 L91 L108 E111 A112 F115 L117 M120 | I56-I87 HydrophobicContact CD1-CG2 4.36Å; M83-I87 PolarHBondContact O-N 2.63Å; F84-I87 HydrophobicContact CD2-CB 4.22Å; F84-I87 HydrophobicContact CD2-CG2 4.38Å; F84-I87 HydrophobicContact CE2-CG2 4.31Å; F84-I87 WeakPolarHBondContact O-CB 3.35Å; F84-I87 PolarHBondContact O-N 3.34Å; I87-N89 PolarHBondContact O-N 2.92Å; I87-F90 WeakPolarHBondContact O-CB 3.43Å; I87-F90 PolarHBondContact O-N 3.15Å; I87-L91 HydrophobicContact CG2-CD1 4.43Å; I87-L91 WeakPolarHBondContact O-CG 3.43Å; I87-L91 PolarHBondContact O-N 3.41Å; I87-L108 HydrophobicContact CD1-CD1 4.12Å; I87-E111 HydrophobicContact CD1-CB 4.12Å; I87-E111 HydrophobicContact CG1-CB 4.3Å; I87-A112 HydrophobicContact CD1-CB 4.22Å; I87-F115 HydrophobicContact CD1-CD2 4.19Å; I87-F115 HydrophobicContact CG1-CD2 4Å; I87-F115 HydrophobicContact CG1-CE2 4.22Å; I87-F115 HydrophobicContact CG2-CD2 4.03Å; I87-F115 HydrophobicContact CG2-CE2 4.46Å; I87-F115 HydrophobicContact CG2-CG 4.49Å; I87-L117 HydrophobicContact CD1-CD1 4.41Å; I87-L117 HydrophobicContact CG2-CD1 3.66Å; I87-M120 HydrophobicContact CD1-CE 3.96Å; I87-M120 HydrophobicContact CD1-SD 3.74Å |
| 88 | L | 98.8 | Very high | 98.3 | Very high | 1 Ų | 1 | 52.9 Ų | 52.9 | 1% | 0.005 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -61.1 | -41 | 177.8 | -78 | -179.7 | 0 | 0 | 0 | 113.2 | Y41 L48 F84 F90 L91 R92 | Y41-L88 HydrophobicContact CD1-CD1 3.36Å; Y41-L88 HydrophobicContact CE1-CD1 4.03Å; Y41-L88 HydrophobicContact CG-CD1 3.78Å; L48-L88 HydrophobicContact CD2-CD2 3.94Å; F84-L88 HydrophobicContact CD1-CD1 3.73Å; F84-L88 HydrophobicContact CD1-CG 3.77Å; F84-L88 HydrophobicContact CE1-CD1 3.54Å; F84-L88 HydrophobicContact CE1-CD2 3.8Å; F84-L88 HydrophobicContact CE1-CG 3.45Å; F84-L88 VanDerWaalsContact CE1-CG 3.45Å; F84-L88 HydrophobicContact CZ-CD2 4.07Å; F84-L88 HydrophobicContact CZ-CG 4.07Å; F84-L88 PolarHBondContact O-N 3.11Å; L88-F90 VanDerWaalsContact C-N 3.31Å; L88-F90 PolarHBondContact O-N 3.21Å; L88-L91 HydrophobicContact CD2-CD1 4.4Å; L88-L91 PolarHBondContact O-N 2.85Å; L88-R92 VanDerWaalsContact O-CG 3.28Å; L88-R92 WeakPolarHBondContact O-CG 3.42Å; L88-R92 PolarHBondContact O-N 2.88Å |
| 89 | N | 98.8 | Very high | 98 | Very high | 44 Ų | 44 | 49.9 Ų | 49.9 | 24% | 0.235 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -64.3 | -38.4 | 177.9 | -74.8 | -16.1 | 0 | 0 | 0 | 111.9 | R85 Y86 I87 R92 T93 | R85-N89 WeakPolarHBondContact O-CB 3.33Å; R85-N89 PolarHBondContact O-N 3.04Å; R85-N89 PolarHBondContact O-ND2 3.02Å; Y86-N89 PolarHBondContact O-N 3.28Å; I87-N89 PolarHBondContact O-N 2.92Å; N89-R92 PolarHBondContact O-N 3.22Å; N89-R92 PolarHBondContact OD1-NH1 3.43Å; N89-T93 PolarHBondContact O-N 3.48Å; N89-T93 PolarHBondContact O-OG1 3.23Å |
| 90 | F | 98.8 | Very high | 97.4 | Very high | 5 Ų | 5 | 52.2 Ų | 52.2 | 2% | 0.022 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -64.6 | -45.1 | 173.3 | -170.2 | -89 | 0 | 0 | 0 | 111.2 | F51 Y86 I87 L88 R92 T93 S94 K95 L96 P119 M120 E123 | F51-F90 HydrophobicContact CE2-CD1 4.2Å; F51-F90 AromaticContact CE2-CE1 3.99Å; F51-F90 HydrophobicContact CE2-CE1 3.99Å; F51-F90 HydrophobicContact CZ-CD1 4.41Å; F51-F90 AromaticContact CZ-CE1 3.77Å; F51-F90 HydrophobicContact CZ-CE1 3.77Å; Y86-F90 WeakPolarHBondContact O-CB 3.37Å; Y86-F90 PolarHBondContact O-N 3.42Å; I87-F90 WeakPolarHBondContact O-CB 3.43Å; I87-F90 PolarHBondContact O-N 3.15Å; L88-F90 VanDerWaalsContact C-N 3.31Å; L88-F90 PolarHBondContact O-N 3.21Å; F90-R92 VanDerWaalsContact C-N 3.3Å; F90-R92 PolarHBondContact O-N 2.76Å; F90-T93 PolarHBondContact O-N 3.36Å; F90-S94 WeakPolarHBondContact O-CA 3.16Å; F90-S94 PolarHBondContact O-N 2.81Å; F90-K95 WeakPolarHBondContact CD2-O 3.28Å; F90-L96 HydrophobicContact CD2-CB 4.5Å; F90-P119 HydrophobicContact CE1-CB 4.11Å; F90-P119 HydrophobicContact CZ-CB 3.91Å; F90-M120 HydrophobicContact CB-CE 4.32Å; F90-M120 HydrophobicContact CB-CG 4.38Å; F90-M120 HydrophobicContact CB-SD 3.7Å; F90-M120 HydrophobicContact CD1-CB 3.8Å; F90-M120 HydrophobicContact CD1-CG 4.25Å; F90-M120 HydrophobicContact CD1-SD 4.25Å; F90-M120 HydrophobicContact CD2-CB 3.98Å; F90-M120 HydrophobicContact CD2-CG 3.8Å; F90-M120 HydrophobicContact CD2-SD 4.24Å; F90-M120 HydrophobicContact CE1-CB 3.74Å; F90-M120 HydrophobicContact CE2-CB 3.93Å; F90-M120 HydrophobicContact CE2-CG 4.14Å; F90-M120 HydrophobicContact CG-CB 3.92Å; F90-M120 HydrophobicContact CG-CG 3.86Å; F90-M120 HydrophobicContact CG-SD 3.79Å; F90-M120 HydrophobicContact CZ-CB 3.81Å; F90-E123 HydrophobicContact CE2-CG 4.15Å |
| 91 | L | 98.7 | Very high | 96.9 | Very high | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -58.4 | -41.1 | 175.5 | -67.9 | 179.3 | 0 | 0 | 0 | 112.1 | T47 L48 K50 F51 I56 I87 L88 L117 | T47-L91 HydrophobicContact CG2-CB 3.67Å; L48-L91 HydrophobicContact CD2-CD1 4.41Å; K50-L91 WeakPolarHBondContact CD-O 3.35Å; K50-L91 PolarHBondContact NZ-O 3.49Å; F51-L91 HydrophobicContact CD2-CD2 3.52Å; F51-L91 HydrophobicContact CE2-CD2 4.07Å; I56-L91 HydrophobicContact CD1-CD1 3.92Å; I56-L91 HydrophobicContact CG1-CD1 4.44Å; I56-L91 HydrophobicContact CG2-CD1 4.17Å; I56-L91 HydrophobicContact CG2-CD2 4.29Å; I87-L91 HydrophobicContact CG2-CD1 4.43Å; I87-L91 WeakPolarHBondContact O-CG 3.43Å; I87-L91 PolarHBondContact O-N 3.41Å; L88-L91 HydrophobicContact CD2-CD1 4.4Å; L88-L91 PolarHBondContact O-N 2.85Å; L91-L117 HydrophobicContact CD2-CD1 4.28Å; L91-L117 HydrophobicContact CD2-CD2 3.8Å |
| 92 | R | 98.5 | Very high | 96.8 | Very high | 111 Ų | 111 | 55 Ų | 55 | 42% | 0.419 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -66 | -53.1 | 177.9 | -70 | 168.7 | -176.7 | 147.6 | -2.1 | 111.9 | T42 T47 K50 L88 N89 F90 | T42-R92 PolarHBondContact O-NH2 3.22Å; T47-R92 HydrophobicContact CG2-CG 3.68Å; K50-R92 PolarHBondContact NZ-O 2.97Å; K50-R92 VanDerWaalsContact NZ-O 3.07Å; L88-R92 VanDerWaalsContact O-CG 3.28Å; L88-R92 WeakPolarHBondContact O-CG 3.42Å; L88-R92 PolarHBondContact O-N 2.88Å; N89-R92 PolarHBondContact O-N 3.22Å; N89-R92 PolarHBondContact OD1-NH1 3.43Å; F90-R92 VanDerWaalsContact C-N 3.3Å; F90-R92 PolarHBondContact O-N 2.76Å |
| 93 | T | 98.3 | Very high | 96.6 | Very high | 62 Ų | 62 | 57.1 Ų | 57.1 | 38% | 0.38 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -100.5 | -15.2 | -165 | 64.4 | 0 | 0 | 0 | 0 | 114.7 | N89 F90 K95 | N89-T93 PolarHBondContact O-N 3.48Å; N89-T93 PolarHBondContact O-OG1 3.23Å; F90-T93 PolarHBondContact O-N 3.36Å; T93-K95 PolarHBondContact O-N 3.31Å; T93-K95 PolarHBondContact OG1-N 2.87Å; T93-K95 PolarHBondContact OG1-O 3.29Å |
| 94 | S | 98.3 | Very high | 96.6 | Very high | 53 Ų | 53 | 60 Ų | 60 | 37% | 0.371 | 30% | 0.295 | S | S | . | . | S | Bend | trans | 55.5 | 26.8 | -167.9 | -57.6 | 0 | 0 | 0 | 0 | 113.4 | K50 F90 | K50-S94 WeakPolarHBondContact CE-OG 3.49Å; K50-S94 PolarHBondContact NZ-OG 2.8Å; F90-S94 WeakPolarHBondContact O-CA 3.16Å; F90-S94 PolarHBondContact O-N 2.81Å |
| 95 | K | 97.7 | Very high | 96.5 | Very high | 133 Ų | 133 | 61.2 Ų | 61.2 | 58% | 0.578 | 30% | 0.3 | S | S | * | . | S | Bend | trans | -129 | 140.5 | 179.8 | -65.4 | 179.1 | -178 | -178.6 | 0 | 110.3 | F90 T93 L97 | F90-K95 WeakPolarHBondContact CD2-O 3.28Å; T93-K95 PolarHBondContact O-N 3.31Å; T93-K95 PolarHBondContact OG1-N 2.87Å; T93-K95 PolarHBondContact OG1-O 3.29Å; K95-L97 HydrophobicContact CB-CD2 4.14Å; K95-L97 HydrophobicContact CB-CG 4.06Å; K95-L97 PolarHBondContact O-N 3.33Å |
| 96 | L | 98 | Very high | 96.5 | Very high | 29 Ų | 29 | 59.8 Ų | 59.8 | 15% | 0.152 | 31% | 0.308 | C | S | . | . | trans | -81.4 | 103.3 | 169.3 | -178.4 | 67.9 | 0 | 0 | 0 | 109.3 | F90 I98 L108 M120 E123 L124 W127 | F90-L96 HydrophobicContact CD2-CB 4.5Å; L96-I98 HydrophobicContact CD1-CD1 4.42Å; L96-I98 HydrophobicContact CD1-CG2 4.03Å; L96-I98 HydrophobicContact CD2-CD1 4.09Å; L96-I98 HydrophobicContact CG-CD1 4.23Å; L96-I98 HydrophobicContact CG-CG1 4.22Å; L96-L108 HydrophobicContact CD1-CD2 4.44Å; L96-M120 HydrophobicContact CD1-CE 4.03Å; L96-E123 HydrophobicContact CB-CB 3.86Å; L96-E123 HydrophobicContact CD2-CB 4.03Å; L96-L124 HydrophobicContact CD1-CD2 3.89Å; L96-L124 HydrophobicContact CD1-CG 4.1Å; L96-L124 HydrophobicContact CD2-CB 4.42Å; L96-L124 HydrophobicContact CD2-CD2 3.79Å; L96-L124 HydrophobicContact CD2-CG 3.91Å; L96-L124 HydrophobicContact CG-CD2 4.5Å; L96-W127 HydrophobicContact CD2-CB 4.1Å | ||
| 97 | L | 95.5 | Very high | 96.5 | Very high | 110 Ų | 110 | 62.8 Ų | 62.8 | 58% | 0.576 | 33% | 0.326 | S | S | * | . | trans | -112.2 | 87.8 | -179.3 | -59.6 | 177.9 | 0 | 0 | 0 | 109.7 | K95 | K95-L97 HydrophobicContact CB-CD2 4.14Å; K95-L97 HydrophobicContact CB-CG 4.06Å; K95-L97 PolarHBondContact O-N 3.33Å | ||
| 98 | I | 96.4 | Very high | 96.5 | Very high | 22 Ų | 22 | 62.8 Ų | 62.8 | 11% | 0.113 | 33% | 0.326 | C | S | . | . | trans | -122.9 | 152.3 | 177.2 | 58.1 | 177.8 | 0 | 0 | 0 | 110.1 | Y86 L96 F102 L108 L124 W127 | Y86-I98 HydrophobicContact CD1-CG2 3.79Å; Y86-I98 HydrophobicContact CE1-CG2 4Å; L96-I98 HydrophobicContact CD1-CD1 4.42Å; L96-I98 HydrophobicContact CD1-CG2 4.03Å; L96-I98 HydrophobicContact CD2-CD1 4.09Å; L96-I98 HydrophobicContact CG-CD1 4.23Å; L96-I98 HydrophobicContact CG-CG1 4.22Å; I98-F102 HydrophobicContact CB-CB 4.22Å; I98-F102 HydrophobicContact CB-CD1 4.28Å; I98-F102 HydrophobicContact CB-CD2 4.31Å; I98-F102 HydrophobicContact CB-CG 4.02Å; I98-F102 HydrophobicContact CD1-CB 4.29Å; I98-F102 HydrophobicContact CD1-CD1 3.82Å; I98-F102 HydrophobicContact CD1-CE1 4.48Å; I98-F102 HydrophobicContact CD1-CG 4.23Å; I98-F102 HydrophobicContact CG1-CB 4.47Å; I98-F102 HydrophobicContact CG2-CD1 4.41Å; I98-F102 HydrophobicContact CG2-CE1 4.42Å; I98-F102 HydrophobicContact CG2-CG 4.47Å; I98-L108 HydrophobicContact CG2-CD2 4.01Å; I98-L124 HydrophobicContact CD1-CD2 4.42Å; I98-W127 HydrophobicContact CD1-CD2 3.76Å; I98-W127 HydrophobicContact CD1-CE3 4.19Å; I98-W127 HydrophobicContact CD1-CG 4.1Å; I98-W127 HydrophobicContact CD1-CH2 4.46Å; I98-W127 HydrophobicContact CD1-CZ2 4.06Å | ||
| 99 | P | 93.2 | Very high | 96.5 | Very high | 63 Ų | 63 | 65 Ų | 65 | 41% | 0.409 | 33% | 0.334 | S | S | . | . | trans | -56.1 | 150.3 | 173.7 | -24.9 | 34.4 | 0 | 0 | 0 | 112.8 | D101 F102 | P99-D101 WeakPolarHBondContact CB-OD1 3.48Å; P99-D101 PolarHBondContact O-N 2.93Å; P99-F102 HydrophobicContact CB-CB 4.47Å; P99-F102 WeakPolarHBondContact O-CB 3.31Å; P99-F102 PolarHBondContact O-N 3Å; P99-F102 VanDerWaalsContact O-N 3.13Å | ||
| 100 | D | 85.9 | Confident | 96.5 | Very high | 123 Ų | 123 | 67.6 Ų | 67.6 | 66% | 0.658 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | -30.3 | 176.8 | -71.8 | -26.1 | 0 | 0 | 0 | 112.3 | ||
| 101 | D | 87.9 | Confident | 96.5 | Very high | 105 Ų | 105 | 67.9 Ų | 67.9 | 56% | 0.561 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.5 | 15.9 | -180 | 71.6 | -33.9 | 0 | 0 | 0 | 113.8 | P99 K103 | P99-D101 WeakPolarHBondContact CB-OD1 3.48Å; P99-D101 PolarHBondContact O-N 2.93Å; D101-K103 WeakPolarHBondContact O-CD 3.48Å; D101-K103 WeakPolarHBondContact O-CE 3.4Å; D101-K103 WeakPolarHBondContact O-CG 3.47Å; D101-K103 PolarHBondContact O-N 3.03Å; D101-K103 PolarHBondContact O-NZ 2.76Å |
| 102 | F | 95.8 | Very high | 96.5 | Very high | 18 Ų | 18 | 67.9 Ų | 67.9 | 8% | 0.079 | 35% | 0.346 | C | S | . | . | trans | -50.3 | 121.8 | -175.8 | -173.1 | -114.3 | 0 | 0 | 0 | 112.8 | M83 Y86 I98 P99 D104 L108 W127 | M83-F102 HydrophobicContact SD-CZ 4.47Å; Y86-F102 HydrophobicContact CD2-CZ 4.41Å; Y86-F102 HydrophobicContact CE1-CE2 4.13Å; Y86-F102 AromaticContact CE2-CE2 3.85Å; Y86-F102 HydrophobicContact CE2-CE2 3.85Å; Y86-F102 AromaticContact CE2-CZ 3.95Å; Y86-F102 HydrophobicContact CE2-CZ 3.95Å; Y86-F102 AromaticContact CZ-CE2 3.52Å; Y86-F102 WeakPolarHBondContact OH-CE2 3.49Å; I98-F102 HydrophobicContact CB-CB 4.22Å; I98-F102 HydrophobicContact CB-CD1 4.28Å; I98-F102 HydrophobicContact CB-CD2 4.31Å; I98-F102 HydrophobicContact CB-CG 4.02Å; I98-F102 HydrophobicContact CD1-CB 4.29Å; I98-F102 HydrophobicContact CD1-CD1 3.82Å; I98-F102 HydrophobicContact CD1-CE1 4.48Å; I98-F102 HydrophobicContact CD1-CG 4.23Å; I98-F102 HydrophobicContact CG1-CB 4.47Å; I98-F102 HydrophobicContact CG2-CD1 4.41Å; I98-F102 HydrophobicContact CG2-CE1 4.42Å; I98-F102 HydrophobicContact CG2-CG 4.47Å; P99-F102 HydrophobicContact CB-CB 4.47Å; P99-F102 WeakPolarHBondContact O-CB 3.31Å; P99-F102 PolarHBondContact O-N 3Å; P99-F102 VanDerWaalsContact O-N 3.13Å; F102-D104 VanDerWaalsContact CE1-C 3.44Å; F102-D104 HydrophobicContact CE1-CB 4.17Å; F102-D104 HydrophobicContact CE2-CB 4.09Å; F102-D104 HydrophobicContact CZ-CB 3.71Å; F102-L108 HydrophobicContact CE1-CB 4.03Å; F102-L108 HydrophobicContact CE1-CD2 3.84Å; F102-L108 HydrophobicContact CZ-CB 4.2Å; F102-L108 HydrophobicContact CZ-CD2 3.98Å; F102-W127 HydrophobicContact CB-CH2 4.2Å; F102-W127 HydrophobicContact CB-CZ2 4.15Å | ||
| 103 | K | 95 | Very high | 96.5 | Very high | 165 Ų | 165 | 69.8 Ų | 69.8 | 72% | 0.717 | 35% | 0.354 | S | S | * | . | trans | -93.7 | -24 | -173.5 | -56.3 | -56.4 | 177.7 | -152 | 0 | 113.8 | D101 Y105 | D101-K103 WeakPolarHBondContact O-CD 3.48Å; D101-K103 WeakPolarHBondContact O-CE 3.4Å; D101-K103 WeakPolarHBondContact O-CG 3.47Å; D101-K103 PolarHBondContact O-N 3.03Å; D101-K103 PolarHBondContact O-NZ 2.76Å; K103-Y105 VanDerWaalsContact C-N 3.25Å; K103-Y105 PolarHBondContact O-N 3.26Å | ||
| 104 | D | 97.8 | Very high | 96.6 | Very high | 69 Ų | 69 | 69.7 Ų | 69.7 | 37% | 0.369 | 35% | 0.347 | S | S | . | . | trans | -92.7 | 32 | -170.5 | -54 | -42.2 | 0 | 0 | 0 | 112.6 | M83 F102 S106 L107 L108 | M83-D104 HydrophobicContact CE-CB 3.82Å; M83-D104 HydrophobicContact SD-CB 4.11Å; F102-D104 VanDerWaalsContact CE1-C 3.44Å; F102-D104 HydrophobicContact CE1-CB 4.17Å; F102-D104 HydrophobicContact CE2-CB 4.09Å; F102-D104 HydrophobicContact CZ-CB 3.71Å; D104-S106 VanDerWaalsContact C-N 3.35Å; D104-S106 PolarHBondContact O-N 2.99Å; D104-L107 HydrophobicContact CB-CB 4.35Å; D104-L107 HydrophobicContact CB-CD1 4.17Å; D104-L107 PolarHBondContact O-N 3.05Å; D104-L108 PolarHBondContact O-N 3.13Å | ||
| 105 | Y | 97.9 | Very high | 96.6 | Very high | 26 Ų | 26 | 67.2 Ų | 67.2 | 10% | 0.102 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -52.2 | -51.7 | -177.6 | 174.8 | -88.3 | 0 | 0 | 0 | 111.8 | K103 L107 L108 Y109 L124 W127 R128 | K103-Y105 VanDerWaalsContact C-N 3.25Å; K103-Y105 PolarHBondContact O-N 3.26Å; Y105-L107 VanDerWaalsContact C-N 3.33Å; Y105-L107 PolarHBondContact O-N 3Å; Y105-L108 PolarHBondContact O-N 3.23Å; Y105-Y109 HydrophobicContact CE1-CD2 4.2Å; Y105-Y109 HydrophobicContact CE1-CG 4.26Å; Y105-Y109 AromaticContact CZ-CD2 3.89Å; Y105-Y109 VanDerWaalsContact O-CB 3.23Å; Y105-Y109 WeakPolarHBondContact O-CB 3.33Å; Y105-Y109 PolarHBondContact O-N 3.34Å; Y105-Y109 WeakPolarHBondContact OH-CD2 3.44Å; Y105-L124 HydrophobicContact CD2-CD2 4.22Å; Y105-L124 HydrophobicContact CE2-CB 4.01Å; Y105-L124 HydrophobicContact CE2-CD2 4.08Å; Y105-L124 WeakPolarHBondContact CE2-O 3.42Å; Y105-W127 AromaticContact CD2-CE3 3.77Å; Y105-W127 HydrophobicContact CD2-CE3 3.77Å; Y105-W127 AromaticContact CD2-CZ3 3.64Å; Y105-W127 HydrophobicContact CD2-CZ3 3.64Å; Y105-W127 HydrophobicContact CE2-CE3 4.14Å; Y105-W127 HydrophobicContact CE2-CZ3 4.41Å; Y105-W127 HydrophobicContact CG-CZ3 4.35Å; Y105-R128 HydrophobicContact CE2-CB 3.81Å |
| 106 | S | 98.2 | Very high | 96.6 | Very high | 87 Ų | 87 | 64.7 Ų | 64.7 | 61% | 0.608 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -63.6 | -39.7 | -176.4 | -53.7 | 0 | 0 | 0 | 0 | 111.9 | D104 Y109 E110 | D104-S106 VanDerWaalsContact C-N 3.35Å; D104-S106 PolarHBondContact O-N 2.99Å; S106-Y109 PolarHBondContact O-N 3.45Å; S106-E110 WeakPolarHBondContact O-CG 3.43Å; S106-E110 PolarHBondContact O-N 3.34Å |
| 107 | L | 98.6 | Very high | 96.7 | Very high | 92 Ų | 92 | 63.3 Ų | 63.3 | 48% | 0.482 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -64.4 | -48 | 177.9 | -62.9 | 177 | 0 | 0 | 0 | 110.8 | M83 D104 Y105 Y109 E110 E111 | M83-L107 HydrophobicContact CG-CB 3.89Å; M83-L107 HydrophobicContact SD-CB 3.94Å; D104-L107 HydrophobicContact CB-CB 4.35Å; D104-L107 HydrophobicContact CB-CD1 4.17Å; D104-L107 PolarHBondContact O-N 3.05Å; Y105-L107 VanDerWaalsContact C-N 3.33Å; Y105-L107 PolarHBondContact O-N 3Å; L107-Y109 VanDerWaalsContact C-N 3.33Å; L107-Y109 PolarHBondContact O-N 3.45Å; L107-E110 PolarHBondContact O-N 3.38Å; L107-E111 PolarHBondContact O-N 3.44Å |
| 108 | L | 98.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 64.1 Ų | 64.1 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -65.4 | -38.1 | 178.6 | -178.2 | 54.5 | 0 | 0 | 0 | 112.4 | M83 Y86 I87 L96 I98 F102 D104 Y105 E111 A112 M120 L124 | M83-L108 HydrophobicContact CB-CD1 4.47Å; M83-L108 HydrophobicContact SD-CB 3.89Å; Y86-L108 HydrophobicContact CD2-CD1 4.16Å; Y86-L108 HydrophobicContact CD2-CD2 4.27Å; Y86-L108 HydrophobicContact CG-CD1 4.18Å; Y86-L108 HydrophobicContact CG-CD2 3.98Å; I87-L108 HydrophobicContact CD1-CD1 4.12Å; L96-L108 HydrophobicContact CD1-CD2 4.44Å; I98-L108 HydrophobicContact CG2-CD2 4.01Å; F102-L108 HydrophobicContact CE1-CB 4.03Å; F102-L108 HydrophobicContact CE1-CD2 3.84Å; F102-L108 HydrophobicContact CZ-CB 4.2Å; F102-L108 HydrophobicContact CZ-CD2 3.98Å; D104-L108 PolarHBondContact O-N 3.13Å; Y105-L108 PolarHBondContact O-N 3.23Å; L108-E111 PolarHBondContact O-N 2.91Å; L108-A112 WeakPolarHBondContact O-CB 3.09Å; L108-A112 PolarHBondContact O-N 2.85Å; L108-M120 HydrophobicContact CD1-CE 3.65Å; L108-M120 HydrophobicContact CD2-CE 3.97Å; L108-M120 HydrophobicContact CG-CE 3.94Å; L108-L124 HydrophobicContact CD2-CD2 4.03Å; L108-L124 HydrophobicContact CG-CD1 4.34Å; L108-L124 HydrophobicContact CG-CD2 4.36Å |
| 109 | Y | 98.8 | Very high | 96.9 | Very high | 49 Ų | 49 | 65.9 Ų | 65.9 | 19% | 0.192 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -62.8 | -43.1 | 177.8 | -172.9 | -90.4 | 0 | 0 | 0 | 111.6 | Y105 S106 L107 E111 A112 R113 L121 L124 E125 | Y105-Y109 HydrophobicContact CE1-CD2 4.2Å; Y105-Y109 HydrophobicContact CE1-CG 4.26Å; Y105-Y109 AromaticContact CZ-CD2 3.89Å; Y105-Y109 VanDerWaalsContact O-CB 3.23Å; Y105-Y109 WeakPolarHBondContact O-CB 3.33Å; Y105-Y109 PolarHBondContact O-N 3.34Å; Y105-Y109 WeakPolarHBondContact OH-CD2 3.44Å; S106-Y109 PolarHBondContact O-N 3.45Å; L107-Y109 VanDerWaalsContact C-N 3.33Å; L107-Y109 PolarHBondContact O-N 3.45Å; Y109-E111 PolarHBondContact O-N 2.85Å; Y109-A112 PolarHBondContact O-N 3.29Å; Y109-R113 VanDerWaalsContact O-CB 3.32Å; Y109-R113 WeakPolarHBondContact O-CB 3.19Å; Y109-R113 PolarHBondContact O-N 3.39Å; Y109-L121 HydrophobicContact CD2-CD2 3.9Å; Y109-L121 HydrophobicContact CE1-CD2 4.41Å; Y109-L121 HydrophobicContact CE2-CD2 3.64Å; Y109-L121 HydrophobicContact CG-CD2 4.39Å; Y109-L124 HydrophobicContact CD2-CB 4.24Å; Y109-L124 HydrophobicContact CD2-CD1 4.26Å; Y109-E125 HydrophobicContact CE2-CG 4.05Å; Y109-E125 PolarHBondContact OH-OE1 3.29Å |
| 110 | E | 98.8 | Very high | 97.2 | Very high | 98 Ų | 98 | 62.9 Ų | 62.9 | 46% | 0.458 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -62.8 | -39.9 | 175.4 | -73.9 | -55.7 | 136.1 | 0 | 0 | 112.4 | S106 L107 R113 Y114 | S106-E110 WeakPolarHBondContact O-CG 3.43Å; S106-E110 PolarHBondContact O-N 3.34Å; L107-E110 PolarHBondContact O-N 3.38Å; E110-R113 PolarHBondContact O-N 2.9Å; E110-Y114 WeakPolarHBondContact O-CB 3.18Å; E110-Y114 PolarHBondContact O-N 3.06Å |
| 111 | E | 98.8 | Very high | 97.8 | Very high | 11 Ų | 11 | 57.6 Ų | 57.6 | 5% | 0.051 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -66.7 | -44.7 | 174 | -66.3 | -45.1 | 125.3 | 0 | 0 | 112.4 | R79 D80 M83 I87 L107 L108 Y109 R113 Y114 F115 | R79-E111 WeakPolarHBondContact CB-OE2 3.5Å; R79-E111 IonicContact CZ-OE1 3.81Å; R79-E111 VanDerWaalsContact CZ-OE1 3.3Å; R79-E111 IonicContact CZ-OE2 2.75Å; R79-E111 IonicContact NE-OE1 2.88Å; R79-E111 PolarHBondContact NE-OE1 3.14Å; R79-E111 IonicContact NE-OE2 3.75Å; R79-E111 PolarHBondContact NE-OE2 3.18Å; R79-E111 IonicContact NH2-OE1 2.89Å; R79-E111 PolarHBondContact NH2-OE1 2.9Å; R79-E111 IonicContact NH2-OE2 3.12Å; D80-E111 HydrophobicContact CB-CG 4.36Å; M83-E111 HydrophobicContact CB-CB 4.28Å; M83-E111 HydrophobicContact CB-CG 3.54Å; M83-E111 HydrophobicContact CG-CG 4.23Å; I87-E111 HydrophobicContact CD1-CB 4.12Å; I87-E111 HydrophobicContact CG1-CB 4.3Å; L107-E111 PolarHBondContact O-N 3.44Å; L108-E111 PolarHBondContact O-N 2.91Å; Y109-E111 PolarHBondContact O-N 2.85Å; E111-R113 PolarHBondContact O-N 3.38Å; E111-Y114 PolarHBondContact O-N 3.25Å; E111-F115 HydrophobicContact CB-CD2 4.46Å; E111-F115 HydrophobicContact CB-CE2 4.49Å; E111-F115 WeakPolarHBondContact O-CD2 3.14Å; E111-F115 PolarHBondContact O-N 2.98Å |
| 112 | A | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -60 | -35.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | I87 L108 Y109 Q116 L117 M120 L121 L124 | I87-A112 HydrophobicContact CD1-CB 4.22Å; L108-A112 WeakPolarHBondContact O-CB 3.09Å; L108-A112 PolarHBondContact O-N 2.85Å; Y109-A112 PolarHBondContact O-N 3.29Å; A112-Q116 PolarHBondContact O-N 3.23Å; A112-L117 PolarHBondContact O-N 3.2Å; A112-M120 HydrophobicContact CB-CG 4.24Å; A112-M120 HydrophobicContact CB-SD 4.13Å; A112-L121 HydrophobicContact CB-CD2 3.78Å; A112-L121 HydrophobicContact CB-CG 4.19Å; A112-L124 HydrophobicContact CB-CD1 3.94Å |
| 113 | R | 98.8 | Very high | 98.4 | Very high | 151 Ų | 151 | 56.8 Ų | 56.8 | 57% | 0.57 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -68.6 | -46.5 | 173.9 | -175.5 | -175.7 | 172.6 | 94.7 | 0.3 | 111.8 | Y109 E110 E111 F115 Q116 L121 | Y109-R113 VanDerWaalsContact O-CB 3.32Å; Y109-R113 WeakPolarHBondContact O-CB 3.19Å; Y109-R113 PolarHBondContact O-N 3.39Å; E110-R113 PolarHBondContact O-N 2.9Å; E111-R113 PolarHBondContact O-N 3.38Å; R113-F115 VanDerWaalsContact C-N 3.33Å; R113-F115 PolarHBondContact O-N 3.34Å; R113-Q116 WeakPolarHBondContact O-CA 3.42Å; R113-Q116 PolarHBondContact O-N 3.41Å; R113-L121 HydrophobicContact CB-CD2 4.25Å |
| 114 | Y | 98.8 | Very high | 98.5 | Very high | 60 Ų | 60 | 49 Ų | 49 | 24% | 0.235 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -57.5 | -45.3 | 176.1 | 172.6 | -86.7 | 0 | 0 | 0 | 111.8 | R55 R79 E110 E111 Q116 | R55-Y114 VanDerWaalsContact CD-O 3.28Å; R55-Y114 WeakPolarHBondContact CD-O 3.28Å; R55-Y114 PolarHBondContact NH1-OH 3.16Å; R55-Y114 PolarHBondContact NH2-OH 2.98Å; R79-Y114 HydrophobicContact CG-CD1 3.87Å; R79-Y114 HydrophobicContact CG-CE1 3.5Å; R79-Y114 VanDerWaalsContact CG-CE1 3.5Å; R79-Y114 HydrophobicContact CG-CE2 4.13Å; R79-Y114 HydrophobicContact CG-CG 4.37Å; E110-Y114 WeakPolarHBondContact O-CB 3.18Å; E110-Y114 PolarHBondContact O-N 3.06Å; E111-Y114 PolarHBondContact O-N 3.25Å; Y114-Q116 PolarHBondContact O-N 3.34Å |
| 115 | F | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | -2.8 | 176.7 | -68.1 | -62.4 | 0 | 0 | 0 | 113.4 | S54 R55 I56 I77 R79 F84 I87 E111 R113 L117 | S54-F115 WeakPolarHBondContact CB-O 3.11Å; R55-F115 WeakPolarHBondContact CB-O 3.36Å; R55-F115 PolarHBondContact N-O 2.84Å; I56-F115 HydrophobicContact CB-CB 4.44Å; I56-F115 HydrophobicContact CB-CD1 3.79Å; I56-F115 HydrophobicContact CB-CE1 4.47Å; I56-F115 HydrophobicContact CB-CG 4.36Å; I56-F115 HydrophobicContact CD1-CD1 4.26Å; I56-F115 HydrophobicContact CD1-CE1 4.28Å; I56-F115 HydrophobicContact CG1-CD1 4.45Å; I56-F115 HydrophobicContact CG2-CB 4.46Å; I77-F115 HydrophobicContact CD1-CE1 4.32Å; I77-F115 HydrophobicContact CG2-CE1 4.21Å; I77-F115 HydrophobicContact CG2-CZ 4.09Å; R79-F115 HydrophobicContact CB-CZ 4.49Å; R79-F115 HydrophobicContact CG-CZ 4.3Å; F84-F115 AromaticContact CD2-CE2 3.78Å; F84-F115 HydrophobicContact CD2-CE2 3.78Å; F84-F115 AromaticContact CD2-CZ 3.76Å; F84-F115 HydrophobicContact CD2-CZ 3.76Å; F84-F115 HydrophobicContact CE2-CE1 4.26Å; F84-F115 HydrophobicContact CE2-CE2 4.03Å; F84-F115 AromaticContact CE2-CZ 3.68Å; F84-F115 HydrophobicContact CE2-CZ 3.68Å; I87-F115 HydrophobicContact CD1-CD2 4.19Å; I87-F115 HydrophobicContact CG1-CD2 4Å; I87-F115 HydrophobicContact CG1-CE2 4.22Å; I87-F115 HydrophobicContact CG2-CD2 4.03Å; I87-F115 HydrophobicContact CG2-CE2 4.46Å; I87-F115 HydrophobicContact CG2-CG 4.49Å; E111-F115 HydrophobicContact CB-CD2 4.46Å; E111-F115 HydrophobicContact CB-CE2 4.49Å; E111-F115 WeakPolarHBondContact O-CD2 3.14Å; E111-F115 PolarHBondContact O-N 2.98Å; R113-F115 VanDerWaalsContact C-N 3.33Å; R113-F115 PolarHBondContact O-N 3.34Å; F115-L117 HydrophobicContact CB-CD1 4.16Å; F115-L117 HydrophobicContact CB-CG 4.28Å; F115-L117 PolarHBondContact O-N 3.38Å |
| 116 | Q | 98.8 | Very high | 98.3 | Very high | 80 Ų | 80 | 54.5 Ų | 54.5 | 37% | 0.374 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.4 | 37.7 | 178.5 | -55.7 | 174.4 | 1.1 | 0 | 0 | 112.9 | R55 A112 R113 Y114 Q118 | R55-Q116 HydrophobicContact CB-CB 4.35Å; R55-Q116 HydrophobicContact CB-CG 4.22Å; A112-Q116 PolarHBondContact O-N 3.23Å; R113-Q116 WeakPolarHBondContact O-CA 3.42Å; R113-Q116 PolarHBondContact O-N 3.41Å; Y114-Q116 PolarHBondContact O-N 3.34Å; Q116-Q118 VanDerWaalsContact C-N 3.33Å; Q116-Q118 PolarHBondContact O-N 3.05Å |
| 117 | L | 98.7 | Very high | 98.1 | Very high | 1 Ų | 1 | 52.6 Ų | 52.6 | 1% | 0.005 | 25% | 0.245 | C | C | . | . | trans | -82.7 | 77.6 | 179 | -79.2 | 166.8 | 0 | 0 | 0 | 110.6 | F51 I56 I87 L91 A112 F115 P119 M120 L121 | F51-L117 HydrophobicContact CB-CD2 4.01Å; F51-L117 HydrophobicContact CD2-CD2 4.1Å; F51-L117 HydrophobicContact CG-CD2 4.14Å; I56-L117 HydrophobicContact CG2-CD1 4.35Å; I56-L117 HydrophobicContact CG2-CD2 4.33Å; I56-L117 HydrophobicContact CG2-CG 4.4Å; I87-L117 HydrophobicContact CD1-CD1 4.41Å; I87-L117 HydrophobicContact CG2-CD1 3.66Å; L91-L117 HydrophobicContact CD2-CD1 4.28Å; L91-L117 HydrophobicContact CD2-CD2 3.8Å; A112-L117 PolarHBondContact O-N 3.2Å; F115-L117 HydrophobicContact CB-CD1 4.16Å; F115-L117 HydrophobicContact CB-CG 4.28Å; F115-L117 PolarHBondContact O-N 3.38Å; L117-P119 VanDerWaalsContact C-CD 3.5Å; L117-M120 HydrophobicContact CB-CB 3.89Å; L117-M120 HydrophobicContact CD1-SD 4.37Å; L117-M120 WeakPolarHBondContact O-CA 3.29Å; L117-M120 WeakPolarHBondContact O-CB 3.39Å; L117-M120 PolarHBondContact O-N 2.9Å; L117-L121 PolarHBondContact O-N 2.67Å | ||
| 118 | Q | 98.6 | Very high | 97.9 | Very high | 127 Ų | 127 | 54 Ų | 54 | 59% | 0.593 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -51.2 | -44.2 | -176.9 | -60.6 | -57.8 | -34.3 | 0 | 0 | 114.1 | Q116 M120 L121 A122 | Q116-Q118 VanDerWaalsContact C-N 3.33Å; Q116-Q118 PolarHBondContact O-N 3.05Å; Q118-M120 VanDerWaalsContact C-N 3.28Å; Q118-M120 PolarHBondContact O-N 2.89Å; Q118-L121 PolarHBondContact O-N 2.78Å; Q118-A122 PolarHBondContact O-N 2.78Å; Q118-A122 VanDerWaalsContact O-N 3.08Å |
| 119 | P | 98.4 | Very high | 97.4 | Very high | 59 Ų | 59 | 59.8 Ų | 59.8 | 38% | 0.383 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -62.3 | -35.9 | 176.7 | -24.1 | 36.7 | 0 | 0 | 0 | 112.7 | F51 F90 L117 E123 | F51-P119 HydrophobicContact CD1-CG 4.04Å; F51-P119 HydrophobicContact CE1-CB 4.26Å; F51-P119 HydrophobicContact CE1-CG 3.83Å; F90-P119 HydrophobicContact CE1-CB 4.11Å; F90-P119 HydrophobicContact CZ-CB 3.91Å; L117-P119 VanDerWaalsContact C-CD 3.5Å; P119-E123 WeakPolarHBondContact O-CG 3.49Å; P119-E123 PolarHBondContact O-N 3.35Å |
| 120 | M | 98.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -71.7 | -39.1 | 178.4 | -172.6 | 172.1 | 178.3 | 0 | 0 | 112 | I87 F90 L96 L108 A112 L117 Q118 E123 L124 | I87-M120 HydrophobicContact CD1-CE 3.96Å; I87-M120 HydrophobicContact CD1-SD 3.74Å; F90-M120 HydrophobicContact CB-CE 4.32Å; F90-M120 HydrophobicContact CB-CG 4.38Å; F90-M120 HydrophobicContact CB-SD 3.7Å; F90-M120 HydrophobicContact CD1-CB 3.8Å; F90-M120 HydrophobicContact CD1-CG 4.25Å; F90-M120 HydrophobicContact CD1-SD 4.25Å; F90-M120 HydrophobicContact CD2-CB 3.98Å; F90-M120 HydrophobicContact CD2-CG 3.8Å; F90-M120 HydrophobicContact CD2-SD 4.24Å; F90-M120 HydrophobicContact CE1-CB 3.74Å; F90-M120 HydrophobicContact CE2-CB 3.93Å; F90-M120 HydrophobicContact CE2-CG 4.14Å; F90-M120 HydrophobicContact CG-CB 3.92Å; F90-M120 HydrophobicContact CG-CG 3.86Å; F90-M120 HydrophobicContact CG-SD 3.79Å; F90-M120 HydrophobicContact CZ-CB 3.81Å; L96-M120 HydrophobicContact CD1-CE 4.03Å; L108-M120 HydrophobicContact CD1-CE 3.65Å; L108-M120 HydrophobicContact CD2-CE 3.97Å; L108-M120 HydrophobicContact CG-CE 3.94Å; A112-M120 HydrophobicContact CB-CG 4.24Å; A112-M120 HydrophobicContact CB-SD 4.13Å; L117-M120 HydrophobicContact CB-CB 3.89Å; L117-M120 HydrophobicContact CD1-SD 4.37Å; L117-M120 WeakPolarHBondContact O-CA 3.29Å; L117-M120 WeakPolarHBondContact O-CB 3.39Å; L117-M120 PolarHBondContact O-N 2.9Å; Q118-M120 VanDerWaalsContact C-N 3.28Å; Q118-M120 PolarHBondContact O-N 2.89Å; M120-E123 PolarHBondContact O-N 3.44Å; M120-L124 HydrophobicContact CE-CD1 4.42Å; M120-L124 HydrophobicContact CG-CD1 4.19Å; M120-L124 WeakPolarHBondContact O-CG 3.32Å; M120-L124 PolarHBondContact O-N 3.34Å |
| 121 | L | 98.7 | Very high | 96.1 | Very high | 11 Ų | 11 | 59.3 Ų | 59.3 | 6% | 0.058 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -59.6 | -47.1 | 175.2 | -71.4 | 169.7 | 0 | 0 | 0 | 111.1 | Y109 A112 R113 L117 Q118 E123 L124 E125 | Y109-L121 HydrophobicContact CD2-CD2 3.9Å; Y109-L121 HydrophobicContact CE1-CD2 4.41Å; Y109-L121 HydrophobicContact CE2-CD2 3.64Å; Y109-L121 HydrophobicContact CG-CD2 4.39Å; A112-L121 HydrophobicContact CB-CD2 3.78Å; A112-L121 HydrophobicContact CB-CG 4.19Å; R113-L121 HydrophobicContact CB-CD2 4.25Å; L117-L121 PolarHBondContact O-N 2.67Å; Q118-L121 PolarHBondContact O-N 2.78Å; L121-E123 VanDerWaalsContact C-N 3.29Å; L121-E123 PolarHBondContact O-N 2.66Å; L121-L124 WeakPolarHBondContact O-CB 3.38Å; L121-L124 PolarHBondContact O-N 3.27Å; L121-L124 VanDerWaalsContact O-N 3.16Å; L121-E125 WeakPolarHBondContact O-CG 3.44Å; L121-E125 PolarHBondContact O-N 3.08Å |
| 122 | A | 98.3 | Very high | 95.2 | Very high | 51 Ų | 51 | 63.4 Ų | 63.4 | 42% | 0.421 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -60.6 | -38 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q118 R126 | Q118-A122 PolarHBondContact O-N 2.78Å; Q118-A122 VanDerWaalsContact O-N 3.08Å; A122-R126 WeakPolarHBondContact O-CB 3.43Å; A122-R126 PolarHBondContact O-N 2.63Å; A122-R126 VanDerWaalsContact O-N 3.07Å |
| 123 | E | 98.1 | Very high | 94.1 | Very high | 56 Ų | 56 | 68.2 Ų | 68.2 | 26% | 0.262 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -68.1 | -39.6 | 175.8 | -65.7 | -78.4 | 129.6 | 0 | 0 | 112.1 | F90 L96 P119 M120 L121 R126 W127 | F90-E123 HydrophobicContact CE2-CG 4.15Å; L96-E123 HydrophobicContact CB-CB 3.86Å; L96-E123 HydrophobicContact CD2-CB 4.03Å; P119-E123 WeakPolarHBondContact O-CG 3.49Å; P119-E123 PolarHBondContact O-N 3.35Å; M120-E123 PolarHBondContact O-N 3.44Å; L121-E123 VanDerWaalsContact C-N 3.29Å; L121-E123 PolarHBondContact O-N 2.66Å; E123-R126 IonicContact OE1-CZ 3.36Å; E123-R126 IonicContact OE1-NH1 3.29Å; E123-R126 PolarHBondContact OE1-NH1 3.34Å; E123-R126 IonicContact OE1-NH2 3.63Å; E123-R126 PolarHBondContact OE1-NH2 3.23Å; E123-R126 IonicContact OE2-CZ 2.76Å; E123-R126 IonicContact OE2-NH1 3.53Å; E123-R126 PolarHBondContact OE2-NH1 3.48Å; E123-R126 IonicContact OE2-NH2 2.87Å; E123-R126 PolarHBondContact OE2-NH2 2.93Å; E123-W127 WeakPolarHBondContact O-CB 3.23Å; E123-W127 PolarHBondContact O-N 2.91Å |
| 124 | L | 98.1 | Very high | 92.5 | Very high | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -65 | -47 | 176.2 | -79.3 | 163.9 | 0 | 0 | 0 | 111.5 | L96 I98 Y105 L108 Y109 A112 M120 L121 R126 W127 R128 | L96-L124 HydrophobicContact CD1-CD2 3.89Å; L96-L124 HydrophobicContact CD1-CG 4.1Å; L96-L124 HydrophobicContact CD2-CB 4.42Å; L96-L124 HydrophobicContact CD2-CD2 3.79Å; L96-L124 HydrophobicContact CD2-CG 3.91Å; L96-L124 HydrophobicContact CG-CD2 4.5Å; I98-L124 HydrophobicContact CD1-CD2 4.42Å; Y105-L124 HydrophobicContact CD2-CD2 4.22Å; Y105-L124 HydrophobicContact CE2-CB 4.01Å; Y105-L124 HydrophobicContact CE2-CD2 4.08Å; Y105-L124 WeakPolarHBondContact CE2-O 3.42Å; L108-L124 HydrophobicContact CD2-CD2 4.03Å; L108-L124 HydrophobicContact CG-CD1 4.34Å; L108-L124 HydrophobicContact CG-CD2 4.36Å; Y109-L124 HydrophobicContact CD2-CB 4.24Å; Y109-L124 HydrophobicContact CD2-CD1 4.26Å; A112-L124 HydrophobicContact CB-CD1 3.94Å; M120-L124 HydrophobicContact CE-CD1 4.42Å; M120-L124 HydrophobicContact CG-CD1 4.19Å; M120-L124 WeakPolarHBondContact O-CG 3.32Å; M120-L124 PolarHBondContact O-N 3.34Å; L121-L124 WeakPolarHBondContact O-CB 3.38Å; L121-L124 PolarHBondContact O-N 3.27Å; L121-L124 VanDerWaalsContact O-N 3.16Å; L124-R126 VanDerWaalsContact C-N 3.33Å; L124-R126 PolarHBondContact O-N 3.21Å; L124-W127 PolarHBondContact O-N 3.45Å; L124-R128 PolarHBondContact O-N 3.07Å |
| 125 | E | 96.7 | Very high | 90.8 | Very high | 101 Ų | 101 | 68.4 Ų | 68.4 | 47% | 0.472 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -59.8 | -44.8 | 177.2 | -72 | 172.9 | 171.7 | 0 | 0 | 111.4 | Y109 L121 R128 Q129 | Y109-E125 HydrophobicContact CE2-CG 4.05Å; Y109-E125 PolarHBondContact OH-OE1 3.29Å; L121-E125 WeakPolarHBondContact O-CG 3.44Å; L121-E125 PolarHBondContact O-N 3.08Å; E125-R128 PolarHBondContact O-N 2.91Å; E125-Q129 PolarHBondContact O-N 3.49Å |
| 126 | R | 94.9 | Very high | 89.1 | Confident | 111 Ų | 111 | 74.8 Ų | 74.8 | 42% | 0.419 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -61.8 | -46.2 | 175.2 | -171.5 | -175.4 | 68.4 | -117.2 | 2.9 | 111.6 | A122 E123 L124 R128 Q129 D130 | A122-R126 WeakPolarHBondContact O-CB 3.43Å; A122-R126 PolarHBondContact O-N 2.63Å; A122-R126 VanDerWaalsContact O-N 3.07Å; E123-R126 IonicContact OE1-CZ 3.36Å; E123-R126 IonicContact OE1-NH1 3.29Å; E123-R126 PolarHBondContact OE1-NH1 3.34Å; E123-R126 IonicContact OE1-NH2 3.63Å; E123-R126 PolarHBondContact OE1-NH2 3.23Å; E123-R126 IonicContact OE2-CZ 2.76Å; E123-R126 IonicContact OE2-NH1 3.53Å; E123-R126 PolarHBondContact OE2-NH1 3.48Å; E123-R126 IonicContact OE2-NH2 2.87Å; E123-R126 PolarHBondContact OE2-NH2 2.93Å; L124-R126 VanDerWaalsContact C-N 3.33Å; L124-R126 PolarHBondContact O-N 3.21Å; R126-R128 VanDerWaalsContact C-N 3.29Å; R126-R128 PolarHBondContact O-N 3.16Å; R126-Q129 PolarHBondContact O-N 3.2Å; R126-D130 PolarHBondContact O-N 2.85Å |
| 127 | W | 94.1 | Very high | 87.2 | Confident | 46 Ų | 46 | 74.2 Ų | 74.2 | 17% | 0.174 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -57.5 | -43.7 | 177.2 | 177.4 | 91.3 | 0 | 0 | 0 | 111.3 | L96 I98 F102 Y105 E123 L124 D130 Q131 | L96-W127 HydrophobicContact CD2-CB 4.1Å; I98-W127 HydrophobicContact CD1-CD2 3.76Å; I98-W127 HydrophobicContact CD1-CE3 4.19Å; I98-W127 HydrophobicContact CD1-CG 4.1Å; I98-W127 HydrophobicContact CD1-CH2 4.46Å; I98-W127 HydrophobicContact CD1-CZ2 4.06Å; F102-W127 HydrophobicContact CB-CH2 4.2Å; F102-W127 HydrophobicContact CB-CZ2 4.15Å; Y105-W127 AromaticContact CD2-CE3 3.77Å; Y105-W127 HydrophobicContact CD2-CE3 3.77Å; Y105-W127 AromaticContact CD2-CZ3 3.64Å; Y105-W127 HydrophobicContact CD2-CZ3 3.64Å; Y105-W127 HydrophobicContact CE2-CE3 4.14Å; Y105-W127 HydrophobicContact CE2-CZ3 4.41Å; Y105-W127 HydrophobicContact CG-CZ3 4.35Å; E123-W127 WeakPolarHBondContact O-CB 3.23Å; E123-W127 PolarHBondContact O-N 2.91Å; L124-W127 PolarHBondContact O-N 3.45Å; W127-D130 PolarHBondContact O-N 2.91Å; W127-Q131 HydrophobicContact CD2-CG 4.11Å; W127-Q131 HydrophobicContact CE3-CG 4.3Å; W127-Q131 HydrophobicContact CH2-CG 4.13Å; W127-Q131 HydrophobicContact CZ2-CG 3.92Å; W127-Q131 HydrophobicContact CZ3-CG 4.3Å; W127-Q131 VanDerWaalsContact O-CG 3.31Å; W127-Q131 WeakPolarHBondContact O-CG 3.41Å; W127-Q131 PolarHBondContact O-N 2.9Å |
| 128 | R | 92.9 | Very high | 85.7 | Confident | 122 Ų | 122 | 80.9 Ų | 80.9 | 46% | 0.46 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -62.7 | -44.6 | 176.8 | -178.3 | 178.5 | 176.9 | 170.5 | 5.5 | 112 | Y105 L124 E125 R126 D130 Q131 E132 | Y105-R128 HydrophobicContact CE2-CB 3.81Å; L124-R128 PolarHBondContact O-N 3.07Å; E125-R128 PolarHBondContact O-N 2.91Å; R126-R128 VanDerWaalsContact C-N 3.29Å; R126-R128 PolarHBondContact O-N 3.16Å; R128-D130 VanDerWaalsContact C-N 3.33Å; R128-D130 PolarHBondContact O-N 3Å; R128-Q131 PolarHBondContact O-N 3.44Å; R128-E132 WeakPolarHBondContact CG-OE1 3.47Å; R128-E132 IonicContact CZ-OE1 2.66Å; R128-E132 IonicContact NE-OE1 3.87Å; R128-E132 PolarHBondContact NE-OE1 2.93Å; R128-E132 IonicContact NH2-OE1 3.91Å; R128-E132 PolarHBondContact O-N 2.67Å |
| 129 | Q | 89.2 | Confident | 84.8 | Confident | 121 Ų | 121 | 77.5 Ų | 77.5 | 57% | 0.565 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -61.4 | -42.5 | 177.3 | -171 | 177.5 | 25.4 | 0 | 0 | 111.5 | E125 R126 Q131 E132 L133 | E125-Q129 PolarHBondContact O-N 3.49Å; R126-Q129 PolarHBondContact O-N 3.2Å; Q129-Q131 VanDerWaalsContact C-N 3.31Å; Q129-Q131 PolarHBondContact O-N 3.24Å; Q129-E132 PolarHBondContact O-N 3.04Å; Q129-L133 WeakPolarHBondContact O-CB 3.39Å; Q129-L133 PolarHBondContact O-N 2.91Å |
| 130 | D | 85.9 | Confident | 84.2 | Confident | 72 Ų | 72 | 77.1 Ų | 77.1 | 39% | 0.385 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -64.3 | -35.2 | 177.9 | -73.9 | -23.4 | 0 | 0 | 0 | 112.2 | R126 W127 R128 G134 | R126-D130 PolarHBondContact O-N 2.85Å; W127-D130 PolarHBondContact O-N 2.91Å; R128-D130 VanDerWaalsContact C-N 3.33Å; R128-D130 PolarHBondContact O-N 3Å; D130-G134 PolarHBondContact O-N 2.85Å |
| 131 | Q | 83.6 | Confident | 84 | Confident | 65 Ų | 65 | 79.4 Ų | 79.4 | 30% | 0.304 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -69.4 | -42.6 | 174.1 | -69.7 | -62.6 | -31.8 | 0 | 0 | 112.1 | W127 R128 Q129 G134 R135 | W127-Q131 HydrophobicContact CD2-CG 4.11Å; W127-Q131 HydrophobicContact CE3-CG 4.3Å; W127-Q131 HydrophobicContact CH2-CG 4.13Å; W127-Q131 HydrophobicContact CZ2-CG 3.92Å; W127-Q131 HydrophobicContact CZ3-CG 4.3Å; W127-Q131 VanDerWaalsContact O-CG 3.31Å; W127-Q131 WeakPolarHBondContact O-CG 3.41Å; W127-Q131 PolarHBondContact O-N 2.9Å; R128-Q131 PolarHBondContact O-N 3.44Å; Q129-Q131 VanDerWaalsContact C-N 3.31Å; Q129-Q131 PolarHBondContact O-N 3.24Å; Q131-G134 PolarHBondContact O-N 3.44Å; Q131-R135 PolarHBondContact O-N 3.18Å; Q131-R135 VanDerWaalsContact O-N 3.14Å |
| 132 | E | 81.1 | Confident | 83.8 | Confident | 98 Ų | 98 | 81.8 Ų | 81.8 | 46% | 0.458 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -64.3 | -44.7 | 176.1 | -75 | 169.5 | -168.9 | 0 | 0 | 110.8 | R128 Q129 G134 R135 V136 | R128-E132 WeakPolarHBondContact CG-OE1 3.47Å; R128-E132 IonicContact CZ-OE1 2.66Å; R128-E132 IonicContact NE-OE1 3.87Å; R128-E132 PolarHBondContact NE-OE1 2.93Å; R128-E132 IonicContact NH2-OE1 3.91Å; R128-E132 PolarHBondContact O-N 2.67Å; Q129-E132 PolarHBondContact O-N 3.04Å; E132-G134 VanDerWaalsContact C-N 3.27Å; E132-G134 PolarHBondContact O-N 3.06Å; E132-R135 PolarHBondContact O-N 3.32Å; E132-V136 PolarHBondContact O-N 2.98Å |
| 133 | L | 74.3 | Confident | 83.8 | Confident | 101 Ų | 101 | 79.4 Ų | 79.4 | 53% | 0.529 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -62 | -35.4 | 172.2 | -121.7 | 85.4 | 0 | 0 | 0 | 112.2 | Q129 R135 V136 S137 | Q129-L133 WeakPolarHBondContact O-CB 3.39Å; Q129-L133 PolarHBondContact O-N 2.91Å; L133-R135 VanDerWaalsContact C-N 3.27Å; L133-R135 PolarHBondContact O-N 2.75Å; L133-V136 PolarHBondContact O-N 3.17Å; L133-S137 PolarHBondContact O-N 3.34Å |
| 134 | G | 65.3 | Low | 83.8 | Confident | 13 Ų | 13 | 78.4 Ų | 78.4 | 13% | 0.134 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -63.1 | -28.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | D130 Q131 E132 R241 | D130-G134 PolarHBondContact O-N 2.85Å; Q131-G134 PolarHBondContact O-N 3.44Å; E132-G134 VanDerWaalsContact C-N 3.27Å; E132-G134 PolarHBondContact O-N 3.06Å; G134-R241 VanDerWaalsContact CA-NH2 3.26Å |
| 135 | R | 64.7 | Low | 83.8 | Confident | 202 Ų | 202 | 78.4 Ų | 78.4 | 76% | 0.762 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -77.7 | -32.1 | 174.3 | -68 | 177.2 | -177.2 | -174.5 | 1.7 | 112.3 | Q131 E132 L133 | Q131-R135 PolarHBondContact O-N 3.18Å; Q131-R135 VanDerWaalsContact O-N 3.14Å; E132-R135 PolarHBondContact O-N 3.32Å; L133-R135 VanDerWaalsContact C-N 3.27Å; L133-R135 PolarHBondContact O-N 2.75Å |
| 136 | V | 62 | Low | 83.8 | Confident | 133 Ų | 133 | 75.9 Ų | 75.9 | 81% | 0.806 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -87 | -34.5 | -176.9 | -177.4 | 0 | 0 | 0 | 0 | 112.3 | E132 L133 | E132-V136 PolarHBondContact O-N 2.98Å; L133-V136 PolarHBondContact O-N 3.17Å |
| 137 | S | 60.1 | Low | 83.9 | Confident | 69 Ų | 69 | 71.3 Ų | 71.3 | 48% | 0.483 | 35% | 0.354 | S | S | . | . | trans | -124 | 88.7 | -178.2 | -172.4 | 0 | 0 | 0 | 0 | 110.3 | L133 P139 R241 | L133-S137 PolarHBondContact O-N 3.34Å; S137-P139 WeakPolarHBondContact O-CD 3.29Å; S137-R241 PolarHBondContact O-NH2 2.78Å | ||
| 138 | R | 67.3 | Low | 83.9 | Confident | 140 Ų | 140 | 69.3 Ų | 69.3 | 53% | 0.528 | 35% | 0.347 | S | S | . | . | trans | -90.8 | 107.8 | 163 | -68 | -168.4 | -177.6 | -168.8 | 0.4 | 107.6 | C140 E238 | R138-C140 PolarHBondContact O-N 3.5Å; R138-C140 VanDerWaalsContact O-N 3.14Å; R138-E238 WeakPolarHBondContact CD-OE1 3.49Å; R138-E238 IonicContact CZ-OE1 2.63Å; R138-E238 IonicContact NE-OE1 3.44Å; R138-E238 IonicContact NH1-OE1 3.35Å; R138-E238 PolarHBondContact NH1-OE1 3.41Å; R138-E238 IonicContact NH1-OE2 2.8Å; R138-E238 PolarHBondContact NH1-OE2 2.98Å; R138-E238 VanDerWaalsContact NH1-OE2 3.12Å | ||
| 139 | P | 78.4 | Confident | 83.6 | Confident | 56 Ų | 56 | 67 Ų | 67 | 36% | 0.364 | 35% | 0.347 | S | S | . | . | trans | -57 | 124.9 | 172.8 | 23.4 | -30.6 | 0 | 0 | 0 | 107.9 | S137 L239 | S137-P139 WeakPolarHBondContact O-CD 3.29Å; P139-L239 HydrophobicContact CB-CB 4.3Å; P139-L239 HydrophobicContact CB-CD1 4.17Å; P139-L239 HydrophobicContact CG-CB 4.27Å; P139-L239 PolarHBondContact O-N 3.26Å | ||
| 140 | C | 86.6 | Confident | 83.1 | Confident | 52 Ų | 52 | 65.5 Ų | 65.5 | 35% | 0.351 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 147.5 | 180 | 68.8 | 0 | 0 | 0 | 0 | 109.6 | R138 R236 R237 | R138-C140 PolarHBondContact O-N 3.5Å; R138-C140 VanDerWaalsContact O-N 3.14Å; C140-R236 HydrophobicContact CB-CG 3.81Å; C140-R236 PolarHBondContact SG-NE 2.95Å; C140-R237 VanDerWaalsContact CA-O 3.26Å; C140-R237 WeakPolarHBondContact CA-O 3.43Å; C140-R237 WeakPolarHBondContact CB-O 3.28Å |
| 141 | E | 93.1 | Very high | 82.6 | Confident | 48 Ų | 48 | 71 Ų | 71 | 22% | 0.224 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 137.4 | 174.3 | -72.4 | 170.4 | 152.9 | 0 | 0 | 107.8 | L163 F215 R236 R237 L239 | E141-L163 HydrophobicContact CB-CD1 4.39Å; E141-L163 HydrophobicContact CB-CD2 3.7Å; E141-L163 HydrophobicContact CG-CD1 4.36Å; E141-L163 HydrophobicContact CG-CD2 4.17Å; E141-F215 HydrophobicContact CB-CE1 4.4Å; E141-R236 CarbonylContact O-C 3.59Å; E141-R236 VanDerWaalsContact O-CA 3.27Å; E141-R236 WeakPolarHBondContact O-CA 3.28Å; E141-R237 HydrophobicContact CB-CB 4.47Å; E141-R237 PolarHBondContact N-O 2.78Å; E141-R237 PolarHBondContact O-N 2.8Å; E141-R237 IonicContact OE1-NH2 3.43Å; E141-R237 IonicContact OE2-CZ 3.3Å; E141-R237 IonicContact OE2-NE 3.43Å; E141-R237 PolarHBondContact OE2-NE 2.79Å; E141-R237 IonicContact OE2-NH2 2.67Å; E141-R237 PolarHBondContact OE2-NH2 3.01Å; E141-L239 HydrophobicContact CG-CD1 4Å; E141-L239 HydrophobicContact CG-CD2 4.31Å; E141-L239 HydrophobicContact CG-CG 4.16Å |
| 142 | C | 95.4 | Very high | 82.5 | Confident | 61 Ų | 61 | 70.3 Ų | 70.3 | 41% | 0.412 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 136.1 | -177 | -65.3 | 0 | 0 | 0 | 0 | 110.1 | L235 | C142-L235 CarbonylContact C-O 3.56Å; C142-L235 VanDerWaalsContact CA-O 3.29Å; C142-L235 WeakPolarHBondContact CA-O 3.35Å |
| 143 | L | 97.4 | Very high | 82.8 | Confident | 0 Ų | 0 | 69.4 Ų | 69.4 | 0% | 0 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 143.9 | 170.5 | -68.2 | 179 | 0 | 0 | 0 | 109.1 | S158 L163 I164 V167 L210 F215 L235 | L143-S158 WeakPolarHBondContact CA-O 3.4Å; L143-L163 HydrophobicContact CD1-CD2 4.31Å; L143-L163 HydrophobicContact CD1-CG 4.33Å; L143-L163 HydrophobicContact CD2-CD2 3.83Å; L143-L163 HydrophobicContact CD2-CG 4.29Å; L143-L163 HydrophobicContact CG-CD2 3.86Å; L143-L163 HydrophobicContact CG-CG 4.39Å; L143-I164 HydrophobicContact CD2-CD1 4.24Å; L143-I164 HydrophobicContact CD2-CG1 3.57Å; L143-V167 HydrophobicContact CD1-CG2 4.44Å; L143-L210 HydrophobicContact CD1-CD2 3.57Å; L143-F215 HydrophobicContact CB-CE1 4.37Å; L143-F215 HydrophobicContact CD1-CE1 3.99Å; L143-F215 HydrophobicContact CD1-CE2 4.41Å; L143-F215 HydrophobicContact CD1-CZ 3.78Å; L143-F215 HydrophobicContact CG-CE1 3.93Å; L143-F215 HydrophobicContact CG-CZ 4.15Å; L143-L235 PolarHBondContact N-O 2.82Å; L143-L235 PolarHBondContact O-N 2.86Å |
| 144 | V | 98.3 | Very high | 83.7 | Confident | 35 Ų | 35 | 69.5 Ų | 69.5 | 21% | 0.212 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 123.8 | 172.2 | -175.7 | 0 | 0 | 0 | 0 | 108.7 | L157 S158 E232 Y233 V234 | V144-L157 CarbonylContact O-C 3.49Å; V144-L157 WeakPolarHBondContact O-CA 3.48Å; V144-S158 PolarHBondContact N-O 3.22Å; V144-S158 PolarHBondContact O-N 3.47Å; V144-E232 HydrophobicContact CG1-CG 3.53Å; V144-Y233 CarbonylContact C-O 3.56Å; V144-Y233 WeakPolarHBondContact CA-O 3.41Å; V144-V234 HydrophobicContact CG2-CG2 4.31Å |
| 145 | V | 98.1 | Very high | 85.1 | Confident | 0 Ų | 0 | 68.9 Ų | 68.9 | 0% | 0 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 121.9 | 174.3 | 179.9 | 0 | 0 | 0 | 0 | 108 | V147 I155 L157 V206 L207 L210 E232 Y233 L235 | V145-V147 HydrophobicContact CG1-CG2 4.19Å; V145-I155 HydrophobicContact CG1-CG2 4.22Å; V145-L157 HydrophobicContact CB-CD2 4.29Å; V145-L157 HydrophobicContact CG1-CD2 4.42Å; V145-L157 HydrophobicContact CG2-CD2 3.61Å; V145-V206 HydrophobicContact CG1-CG1 4.16Å; V145-V206 HydrophobicContact CG2-CG1 4.26Å; V145-L207 HydrophobicContact CB-CD2 4.46Å; V145-L207 HydrophobicContact CG1-CD2 4.44Å; V145-L207 HydrophobicContact CG2-CD2 4.46Å; V145-L210 HydrophobicContact CG2-CD1 3.43Å; V145-L210 VanDerWaalsContact CG2-CD1 3.43Å; V145-E232 CarbonylContact O-C 3.51Å; V145-E232 WeakPolarHBondContact O-CA 3.43Å; V145-Y233 PolarHBondContact N-O 3.22Å; V145-Y233 PolarHBondContact O-N 3.3Å; V145-L235 HydrophobicContact CB-CD1 4.04Å; V145-L235 HydrophobicContact CG2-CD1 3.5Å |
| 146 | R | 97.2 | Very high | 86.6 | Confident | 48 Ų | 48 | 60 Ų | 60 | 18% | 0.181 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 130.3 | 172.7 | 178.7 | 178.9 | 175.8 | 138.1 | 0.2 | 110.2 | I155 T156 F230 S231 E232 | R146-I155 CarbonylContact O-C 3.56Å; R146-I155 WeakPolarHBondContact O-CA 3.36Å; R146-T156 PolarHBondContact N-O 3.34Å; R146-T156 PolarHBondContact O-N 2.91Å; R146-F230 HydrophobicContact CG-CD2 4.35Å; R146-S231 CarbonylContact C-O 3.57Å; R146-S231 WeakPolarHBondContact CA-O 3.33Å; R146-E232 HydrophobicContact CB-CG 4.36Å; R146-E232 IonicContact NH1-OE2 3.89Å |
| 147 | V | 96.4 | Very high | 88.3 | Confident | 16 Ų | 16 | 53.6 Ų | 53.6 | 10% | 0.097 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 129.8 | 178.9 | -173.5 | 0 | 0 | 0 | 0 | 108.1 | V145 R154 F230 S231 Y233 | V145-V147 HydrophobicContact CG1-CG2 4.19Å; V147-R154 CarbonylContact C-O 3.53Å; V147-R154 WeakPolarHBondContact CA-O 3.38Å; V147-F230 CarbonylContact O-C 3.6Å; V147-F230 WeakPolarHBondContact O-CA 3.11Å; V147-S231 PolarHBondContact N-O 2.9Å; V147-S231 PolarHBondContact O-N 2.97Å; V147-Y233 HydrophobicContact CG2-CE2 4.44Å |
| 148 | A | 93.9 | Very high | 90 | Very high | 3 Ų | 3 | 51.4 Ų | 51.4 | 3% | 0.025 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 132.9 | 172.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | D150 R154 Q229 F230 | A148-D150 PolarHBondContact O-N 3.12Å; A148-R154 HydrophobicContact CB-CB 4.48Å; A148-R154 PolarHBondContact N-O 3.26Å; A148-R154 PolarHBondContact O-N 3.43Å; A148-Q229 WeakPolarHBondContact CB-O 3.42Å; A148-F230 HydrophobicContact CB-CB 4.39Å |
| 149 | P | 87.3 | Confident | 91.3 | Very high | 73 Ų | 73 | 45.3 Ų | 45.3 | 47% | 0.474 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 108.4 | 173.2 | 31 | -29.2 | 0 | 0 | 0 | 109.2 | G152 Q229 | P149-G152 CarbonylContact C-O 3.6Å; P149-G152 WeakPolarHBondContact CA-O 3.31Å; P149-Q229 VanDerWaalsContact CD-O 3.28Å; P149-Q229 WeakPolarHBondContact CD-O 3.43Å; P149-Q229 HydrophobicContact CG-CB 3.82Å |
| 150 | D | 79.3 | Confident | 92 | Very high | 90 Ų | 90 | 45.1 Ų | 45.1 | 48% | 0.481 | 26% | 0.255 | S | S | . | . | S | Bend | trans | -140.2 | 84.8 | 179.3 | -174 | 16.3 | 0 | 0 | 0 | 109.6 | A148 G152 R154 | A148-D150 PolarHBondContact O-N 3.12Å; D150-G152 CarbonylContact C-O 3.47Å; D150-G152 PolarHBondContact N-O 3.5Å; D150-G152 PolarHBondContact O-N 3.29Å; D150-G152 VanDerWaalsContact O-N 3.08Å; D150-R154 IonicContact OD2-CZ 3.68Å; D150-R154 IonicContact OD2-NH1 3.44Å; D150-R154 PolarHBondContact OD2-NH1 3.05Å |
| 151 | L | 74.3 | Confident | 92.3 | Very high | 189 Ų | 189 | 43.9 Ų | 43.9 | 99% | 0.99 | 24% | 0.244 | S | C | * | . | S | Bend | trans | 48.1 | 37.9 | -173.8 | -62.1 | 172.6 | 0 | 0 | 0 | 112.9 | ||
| 152 | G | 82.1 | Confident | 92.2 | Very high | 50 Ų | 50 | 44.7 Ų | 44.7 | 52% | 0.515 | 26% | 0.259 | S | S | . | . | S | Bend | trans | 139.3 | -173.7 | -165 | 0 | 0 | 0 | 0 | 0 | 109.6 | P149 D150 | P149-G152 CarbonylContact C-O 3.6Å; P149-G152 WeakPolarHBondContact CA-O 3.31Å; D150-G152 CarbonylContact C-O 3.47Å; D150-G152 PolarHBondContact N-O 3.5Å; D150-G152 PolarHBondContact O-N 3.29Å; D150-G152 VanDerWaalsContact O-N 3.08Å |
| 153 | E | 88.4 | Confident | 92 | Very high | 79 Ų | 79 | 42.3 Ų | 42.3 | 37% | 0.369 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 121.6 | 172.9 | -65.2 | -173.9 | 144.8 | 0 | 0 | 109.9 | I155 N196 N202 S203 | E153-I155 HydrophobicContact CB-CG1 4.22Å; E153-N196 PolarHBondContact O-ND2 3.14Å; E153-N202 WeakPolarHBondContact OE2-CA 3.42Å; E153-N202 WeakPolarHBondContact OE2-CB 3.45Å; E153-S203 WeakPolarHBondContact OE1-CB 3.31Å; E153-S203 PolarHBondContact OE1-OG 2.97Å; E153-S203 PolarHBondContact OE2-N 2.98Å; E153-S203 PolarHBondContact OE2-OG 3.04Å |
| 154 | R | 92.1 | Very high | 91.9 | Very high | 102 Ų | 102 | 42.3 Ų | 42.3 | 39% | 0.385 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 109.3 | 164.5 | -173.3 | 176.4 | 63.1 | -123 | -4.4 | 109.2 | V147 A148 D150 T156 N196 | V147-R154 CarbonylContact C-O 3.53Å; V147-R154 WeakPolarHBondContact CA-O 3.38Å; A148-R154 HydrophobicContact CB-CB 4.48Å; A148-R154 PolarHBondContact N-O 3.26Å; A148-R154 PolarHBondContact O-N 3.43Å; D150-R154 IonicContact OD2-CZ 3.68Å; D150-R154 IonicContact OD2-NH1 3.44Å; D150-R154 PolarHBondContact OD2-NH1 3.05Å; R154-T156 HydrophobicContact CG-CG2 4.44Å; R154-N196 WeakPolarHBondContact CA-ND2 3.47Å |
| 155 | I | 95.6 | Very high | 91.6 | Very high | 1 Ų | 1 | 43.1 Ų | 43.1 | 1% | 0.005 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 123.2 | -178.6 | -53.4 | 171.6 | 0 | 0 | 0 | 108.5 | V145 R146 E153 L195 N196 L201 V206 | V145-I155 HydrophobicContact CG1-CG2 4.22Å; R146-I155 CarbonylContact O-C 3.56Å; R146-I155 WeakPolarHBondContact O-CA 3.36Å; E153-I155 HydrophobicContact CB-CG1 4.22Å; I155-L195 HydrophobicContact CG2-CB 4.37Å; I155-L195 HydrophobicContact CG2-CD2 4.1Å; I155-L195 PolarHBondContact O-N 3.34Å; I155-N196 HydrophobicContact CB-CB 4.37Å; I155-N196 PolarHBondContact O-OD1 3.34Å; I155-L201 WeakPolarHBondContact CD1-O 3.29Å; I155-V206 HydrophobicContact CD1-CG2 4.17Å; I155-V206 HydrophobicContact CG2-CG2 4.49Å |
| 156 | T | 95.5 | Very high | 91.3 | Very high | 14 Ų | 14 | 46.7 Ų | 46.7 | 9% | 0.086 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 141.7 | 174.2 | 68.7 | 0 | 0 | 0 | 0 | 112.9 | R146 R154 R192 F193 | R146-T156 PolarHBondContact N-O 3.34Å; R146-T156 PolarHBondContact O-N 2.91Å; R154-T156 HydrophobicContact CG-CG2 4.44Å; T156-R192 HydrophobicContact CG2-CB 4.39Å; T156-F193 CarbonylContact C-O 3.58Å; T156-F193 WeakPolarHBondContact CA-O 3.37Å; T156-F193 WeakPolarHBondContact CB-O 3.26Å |
| 157 | L | 96.7 | Very high | 91.2 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 141.6 | 177.3 | -63.8 | -176.9 | 0 | 0 | 0 | 111.2 | V144 V145 I164 F168 R192 F193 L195 | V144-L157 CarbonylContact O-C 3.49Å; V144-L157 WeakPolarHBondContact O-CA 3.48Å; V145-L157 HydrophobicContact CB-CD2 4.29Å; V145-L157 HydrophobicContact CG1-CD2 4.42Å; V145-L157 HydrophobicContact CG2-CD2 3.61Å; L157-I164 HydrophobicContact CB-CD1 4.22Å; L157-I164 HydrophobicContact CD1-CG2 3.66Å; L157-F168 HydrophobicContact CD1-CD2 3.78Å; L157-F168 HydrophobicContact CD1-CE2 3.57Å; L157-F168 HydrophobicContact CD1-CZ 4.37Å; L157-R192 CarbonylContact O-C 3.48Å; L157-R192 WeakPolarHBondContact O-CA 3.36Å; L157-R192 PolarHBondContact O-N 2.91Å; L157-R192 VanDerWaalsContact O-N 3.13Å; L157-F193 HydrophobicContact CB-CB 4.45Å; L157-F193 HydrophobicContact CB-CD1 4.42Å; L157-F193 PolarHBondContact N-O 3.18Å; L157-F193 PolarHBondContact O-N 2.8Å; L157-L195 HydrophobicContact CD1-CB 4.3Å; L157-L195 HydrophobicContact CD1-CD1 3.95Å; L157-L195 HydrophobicContact CD1-CD2 3.87Å; L157-L195 HydrophobicContact CD1-CG 4.25Å; L157-L195 HydrophobicContact CD2-CD2 4.42Å; L157-L195 HydrophobicContact CG-CB 4.14Å; L157-L195 HydrophobicContact CG-CD2 4.08Å |
| 158 | S | 96.6 | Very high | 91.1 | Very high | 23 Ų | 23 | 43.7 Ų | 43.7 | 16% | 0.161 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 137 | 168.6 | -43.4 | 0 | 0 | 0 | 0 | 110.5 | L143 V144 V190 R192 | L143-S158 WeakPolarHBondContact CA-O 3.4Å; V144-S158 PolarHBondContact N-O 3.22Å; V144-S158 PolarHBondContact O-N 3.47Å; S158-V190 CarbonylContact C-O 3.22Å; S158-V190 WeakPolarHBondContact CA-O 3.46Å; S158-R192 PolarHBondContact OG-N 2.94Å |
| 159 | G | 94.9 | Very high | 91 | Very high | 11 Ų | 11 | 47.5 Ų | 47.5 | 11% | 0.113 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 154 | -165 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | H189 V190 | G159-H189 CarbonylContact O-C 3.56Å; G159-H189 VanDerWaalsContact O-CA 3.32Å; G159-H189 WeakPolarHBondContact O-CA 3.14Å; G159-V190 PolarHBondContact N-O 3.18Å; G159-V190 PolarHBondContact O-N 2.85Å |
| 160 | D | 93.6 | Very high | 91.1 | Very high | 52 Ų | 52 | 49 Ų | 49 | 28% | 0.278 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 134.4 | 177 | -178.9 | -76.2 | 0 | 0 | 0 | 111.1 | A162 L163 I164 T188 | D160-A162 WeakPolarHBondContact OD1-CA 3.46Å; D160-A162 WeakPolarHBondContact OD1-CB 3.37Å; D160-A162 PolarHBondContact OD1-N 3.12Å; D160-L163 HydrophobicContact CB-CB 3.9Å; D160-L163 PolarHBondContact O-N 2.89Å; D160-L163 PolarHBondContact OD1-N 2.96Å; D160-I164 VanDerWaalsContact O-CG1 3.26Å; D160-I164 WeakPolarHBondContact O-CG1 3.21Å; D160-I164 PolarHBondContact O-N 2.97Å; D160-T188 CarbonylContact C-O 3.53Å; D160-T188 WeakPolarHBondContact CA-O 3.38Å |
| 161 | K | 91.6 | Very high | 91.3 | Very high | 26 Ų | 26 | 44.7 Ų | 44.7 | 11% | 0.113 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -64.7 | -47.9 | -176.3 | -70.8 | 178.1 | 172 | -175.9 | 0 | 112.2 | L163 I164 E165 M175 H185 D186 T188 H189 V190 | K161-L163 PolarHBondContact O-N 3.14Å; K161-I164 PolarHBondContact O-N 3.23Å; K161-I164 VanDerWaalsContact O-N 3.16Å; K161-E165 WeakPolarHBondContact O-CG 3.35Å; K161-E165 PolarHBondContact O-N 3.34Å; K161-M175 HydrophobicContact CG-SD 4.19Å; K161-H185 PolarHBondContact NZ-ND1 3.3Å; K161-D186 WeakPolarHBondContact CE-O 3.49Å; K161-D186 PolarHBondContact NZ-O 3.23Å; K161-T188 WeakPolarHBondContact CG-O 2.99Å; K161-T188 PolarHBondContact N-O 3.38Å; K161-H189 WeakPolarHBondContact CE-O 3.35Å; K161-V190 HydrophobicContact CG-CB 4.22Å; K161-V190 HydrophobicContact CG-CG1 4.34Å |
| 162 | A | 90.7 | Very high | 91.5 | Very high | 65 Ų | 65 | 36.4 Ų | 36.4 | 54% | 0.537 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -64.1 | -35.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111 | D160 E165 D166 | D160-A162 WeakPolarHBondContact OD1-CA 3.46Å; D160-A162 WeakPolarHBondContact OD1-CB 3.37Å; D160-A162 PolarHBondContact OD1-N 3.12Å; A162-E165 PolarHBondContact O-N 3.13Å; A162-D166 PolarHBondContact O-N 3.49Å |
| 163 | L | 93.2 | Very high | 91.2 | Very high | 11 Ų | 11 | 40.5 Ų | 40.5 | 6% | 0.058 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -65.8 | -44.8 | 173.5 | -177.4 | 62.7 | 0 | 0 | 0 | 112.6 | E141 L143 D160 K161 E165 D166 V167 F215 R237 | E141-L163 HydrophobicContact CB-CD1 4.39Å; E141-L163 HydrophobicContact CB-CD2 3.7Å; E141-L163 HydrophobicContact CG-CD1 4.36Å; E141-L163 HydrophobicContact CG-CD2 4.17Å; L143-L163 HydrophobicContact CD1-CD2 4.31Å; L143-L163 HydrophobicContact CD1-CG 4.33Å; L143-L163 HydrophobicContact CD2-CD2 3.83Å; L143-L163 HydrophobicContact CD2-CG 4.29Å; L143-L163 HydrophobicContact CG-CD2 3.86Å; L143-L163 HydrophobicContact CG-CG 4.39Å; D160-L163 HydrophobicContact CB-CB 3.9Å; D160-L163 PolarHBondContact O-N 2.89Å; D160-L163 PolarHBondContact OD1-N 2.96Å; K161-L163 PolarHBondContact O-N 3.14Å; L163-E165 VanDerWaalsContact C-N 3.31Å; L163-E165 PolarHBondContact O-N 3.19Å; L163-D166 PolarHBondContact O-N 2.79Å; L163-V167 WeakPolarHBondContact O-CG2 3.33Å; L163-V167 PolarHBondContact O-N 3.31Å; L163-V167 VanDerWaalsContact O-N 3.11Å; L163-F215 HydrophobicContact CD1-CZ 3.95Å; L163-F215 HydrophobicContact CD2-CE1 4.31Å; L163-F215 HydrophobicContact CD2-CZ 3.98Å; L163-F215 HydrophobicContact CG-CZ 4.14Å; L163-R237 VanDerWaalsContact CD1-NH2 3.29Å |
| 164 | I | 93.7 | Very high | 90.7 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -63.3 | -41.6 | 177.6 | -63.7 | 166.3 | 0 | 0 | 0 | 109.8 | L143 L157 D160 K161 V167 F168 I171 M175 V190 | L143-I164 HydrophobicContact CD2-CD1 4.24Å; L143-I164 HydrophobicContact CD2-CG1 3.57Å; L157-I164 HydrophobicContact CB-CD1 4.22Å; L157-I164 HydrophobicContact CD1-CG2 3.66Å; D160-I164 VanDerWaalsContact O-CG1 3.26Å; D160-I164 WeakPolarHBondContact O-CG1 3.21Å; D160-I164 PolarHBondContact O-N 2.97Å; K161-I164 PolarHBondContact O-N 3.23Å; K161-I164 VanDerWaalsContact O-N 3.16Å; I164-V167 PolarHBondContact O-N 3.23Å; I164-F168 HydrophobicContact CG2-CD2 4.03Å; I164-F168 WeakPolarHBondContact O-CB 3.37Å; I164-F168 PolarHBondContact O-N 2.94Å; I164-I171 HydrophobicContact CG2-CD1 3.45Å; I164-I171 VanDerWaalsContact CG2-CD1 3.45Å; I164-M175 HydrophobicContact CB-CE 4.26Å; I164-M175 HydrophobicContact CD1-CE 4.16Å; I164-M175 HydrophobicContact CG2-CE 3.83Å; I164-V190 HydrophobicContact CD1-CG1 3.49Å; I164-V190 VanDerWaalsContact CD1-CG1 3.49Å |
| 165 | E | 92.2 | Very high | 89.8 | Confident | 52 Ų | 52 | 34.1 Ų | 34.1 | 24% | 0.243 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -62.6 | -40.1 | 175.1 | -68.7 | 179.8 | 179.1 | 0 | 0 | 112.7 | K161 A162 L163 V167 F168 P169 M175 | K161-E165 WeakPolarHBondContact O-CG 3.35Å; K161-E165 PolarHBondContact O-N 3.34Å; A162-E165 PolarHBondContact O-N 3.13Å; L163-E165 VanDerWaalsContact C-N 3.31Å; L163-E165 PolarHBondContact O-N 3.19Å; E165-V167 VanDerWaalsContact C-N 3.31Å; E165-V167 PolarHBondContact O-N 3.06Å; E165-F168 CarbonylContact O-C 3.56Å; E165-F168 VanDerWaalsContact O-C 3.22Å; E165-F168 PolarHBondContact O-N 3.49Å; E165-P169 WeakPolarHBondContact O-CA 3.45Å; E165-P169 VanDerWaalsContact O-N 3.1Å; E165-M175 HydrophobicContact CG-CB 4.01Å; E165-M175 HydrophobicContact CG-CG 4.1Å; E165-M175 WeakPolarHBondContact OE1-CB 3.49Å |
| 166 | D | 92.4 | Very high | 88.4 | Confident | 75 Ų | 75 | 38.2 Ų | 38.2 | 40% | 0.401 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -60.8 | -40.7 | 174.8 | 171.5 | 58.3 | 0 | 0 | 0 | 112.1 | A162 L163 R213 R237 | A162-D166 PolarHBondContact O-N 3.49Å; L163-D166 PolarHBondContact O-N 2.79Å; D166-R213 VanDerWaalsContact O-CZ 3.3Å; D166-R213 PolarHBondContact O-NH1 3.42Å; D166-R213 PolarHBondContact O-NH2 2.76Å; D166-R213 IonicContact OD1-NH1 3.81Å; D166-R213 PolarHBondContact OD1-NH1 3.3Å; D166-R213 IonicContact OD2-NH1 2.97Å; D166-R213 PolarHBondContact OD2-NH1 3.11Å; D166-R237 IonicContact OD2-NH2 3.59Å |
| 167 | V | 94.9 | Very high | 87 | Confident | 1 Ų | 1 | 43.7 Ų | 43.7 | 1% | 0.006 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -77.5 | -39.2 | -179.1 | 178.7 | 0 | 0 | 0 | 0 | 111.6 | L143 L163 I164 E165 P169 R209 L210 R213 F215 | L143-V167 HydrophobicContact CD1-CG2 4.44Å; L163-V167 WeakPolarHBondContact O-CG2 3.33Å; L163-V167 PolarHBondContact O-N 3.31Å; L163-V167 VanDerWaalsContact O-N 3.11Å; I164-V167 PolarHBondContact O-N 3.23Å; E165-V167 VanDerWaalsContact C-N 3.31Å; E165-V167 PolarHBondContact O-N 3.06Å; V167-P169 WeakPolarHBondContact O-CD 3.44Å; V167-R209 HydrophobicContact CG1-CG 4.4Å; V167-L210 HydrophobicContact CG1-CD2 3.76Å; V167-L210 HydrophobicContact CG1-CG 4.41Å; V167-L210 HydrophobicContact CG2-CD2 4.48Å; V167-R213 HydrophobicContact CG1-CG 4.42Å; V167-F215 HydrophobicContact CG2-CE2 3.83Å; V167-F215 HydrophobicContact CG2-CZ 4.34Å |
| 168 | F | 94.7 | Very high | 85.6 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 26% | 0.26 | C | S | . | . | trans | -124.2 | 75.1 | -177.3 | -56.6 | -80.4 | 0 | 0 | 0 | 109.7 | L157 I164 E165 E170 I171 L195 L201 V206 R209 L210 | L157-F168 HydrophobicContact CD1-CD2 3.78Å; L157-F168 HydrophobicContact CD1-CE2 3.57Å; L157-F168 HydrophobicContact CD1-CZ 4.37Å; I164-F168 HydrophobicContact CG2-CD2 4.03Å; I164-F168 WeakPolarHBondContact O-CB 3.37Å; I164-F168 PolarHBondContact O-N 2.94Å; E165-F168 CarbonylContact O-C 3.56Å; E165-F168 VanDerWaalsContact O-C 3.22Å; E165-F168 PolarHBondContact O-N 3.49Å; F168-E170 VanDerWaalsContact C-OE2 3.25Å; F168-E170 WeakPolarHBondContact CA-OE2 3.26Å; F168-E170 PolarHBondContact O-N 2.94Å; F168-I171 HydrophobicContact CB-CD1 4.42Å; F168-I171 HydrophobicContact CB-CG1 3.96Å; F168-I171 WeakPolarHBondContact O-CG1 3.27Å; F168-I171 PolarHBondContact O-N 3.35Å; F168-L195 HydrophobicContact CD1-CD1 4.35Å; F168-L195 HydrophobicContact CE1-CD2 4.24Å; F168-L195 HydrophobicContact CG-CD1 4.23Å; F168-L195 HydrophobicContact CZ-CD2 4.33Å; F168-L201 HydrophobicContact CD1-CD1 4.22Å; F168-L201 HydrophobicContact CE1-CD1 4.05Å; F168-V206 HydrophobicContact CE1-CG1 4.48Å; F168-V206 HydrophobicContact CE1-CG2 4.46Å; F168-V206 HydrophobicContact CZ-CG1 3.96Å; F168-R209 HydrophobicContact CE1-CG 4.48Å; F168-L210 HydrophobicContact CE2-CD2 4.35Å; F168-L210 HydrophobicContact CZ-CG 4.28Å | ||
| 169 | P | 91.6 | Very high | 83.9 | Confident | 83 Ų | 83 | 49.4 Ų | 49.4 | 54% | 0.539 | 29% | 0.29 | S | S | . | . | G | 310 helix | trans | -61.8 | -20.1 | -176.7 | 25.1 | -35.5 | 0 | 0 | 0 | 113.3 | E165 V167 I171 G172 | E165-P169 WeakPolarHBondContact O-CA 3.45Å; E165-P169 VanDerWaalsContact O-N 3.1Å; V167-P169 WeakPolarHBondContact O-CD 3.44Å; P169-I171 PolarHBondContact O-N 3.5Å; P169-I171 VanDerWaalsContact O-N 3.13Å; P169-G172 PolarHBondContact O-N 3.44Å |
| 170 | E | 88.5 | Confident | 82.2 | Confident | 104 Ų | 104 | 56.7 Ų | 56.7 | 49% | 0.486 | 33% | 0.326 | S | S | . | . | G | 310 helix | trans | -63.9 | -15 | 179.1 | -52.1 | 92 | 153 | 0 | 0 | 113.4 | F168 R209 | F168-E170 VanDerWaalsContact C-OE2 3.25Å; F168-E170 WeakPolarHBondContact CA-OE2 3.26Å; F168-E170 PolarHBondContact O-N 2.94Å; E170-R209 IonicContact OE1-CZ 3.91Å; E170-R209 IonicContact OE1-NH1 3.81Å; E170-R209 PolarHBondContact OE1-NH1 2.97Å; E170-R209 IonicContact OE2-NH1 3.78Å |
| 171 | I | 85.3 | Confident | 80.9 | Confident | 1 Ų | 1 | 55.4 Ų | 55.4 | 1% | 0.005 | 32% | 0.323 | C | S | . | . | G | 310 helix | trans | -109 | 3.8 | -177.1 | 65.4 | 144.5 | 0 | 0 | 0 | 114.3 | I164 F168 P169 D173 V174 M175 F193 L195 C199 | I164-I171 HydrophobicContact CG2-CD1 3.45Å; I164-I171 VanDerWaalsContact CG2-CD1 3.45Å; F168-I171 HydrophobicContact CB-CD1 4.42Å; F168-I171 HydrophobicContact CB-CG1 3.96Å; F168-I171 WeakPolarHBondContact O-CG1 3.27Å; F168-I171 PolarHBondContact O-N 3.35Å; P169-I171 PolarHBondContact O-N 3.5Å; P169-I171 VanDerWaalsContact O-N 3.13Å; I171-D173 PolarHBondContact O-N 3.2Å; I171-V174 WeakPolarHBondContact O-CB 3.39Å; I171-V174 PolarHBondContact O-N 2.99Å; I171-V174 VanDerWaalsContact O-N 3.08Å; I171-M175 HydrophobicContact CD1-CE 3.42Å; I171-M175 VanDerWaalsContact CD1-CE 3.42Å; I171-M175 HydrophobicContact CD1-CG 3.77Å; I171-M175 PolarHBondContact O-N 3.4Å; I171-F193 HydrophobicContact CB-CE1 4.28Å; I171-F193 HydrophobicContact CB-CZ 4.05Å; I171-F193 HydrophobicContact CD1-CD1 4.1Å; I171-F193 HydrophobicContact CD1-CE1 3.31Å; I171-F193 HydrophobicContact CD1-CZ 3.73Å; I171-F193 HydrophobicContact CG1-CE1 4.31Å; I171-F193 HydrophobicContact CG1-CZ 4.49Å; I171-F193 HydrophobicContact CG2-CE1 4.17Å; I171-F193 HydrophobicContact CG2-CZ 4.08Å; I171-L195 HydrophobicContact CG2-CD1 4.21Å; I171-C199 HydrophobicContact CG2-CB 4.24Å |
| 172 | G | 76.9 | Confident | 79.6 | Confident | 15 Ų | 15 | 58.5 Ų | 58.5 | 16% | 0.155 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -55.5 | -45.6 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | P169 V174 M175 C176 | P169-G172 PolarHBondContact O-N 3.44Å; G172-V174 PolarHBondContact O-N 3.44Å; G172-M175 PolarHBondContact O-N 3.17Å; G172-C176 PolarHBondContact O-N 3.28Å; G172-C176 VanDerWaalsContact O-N 3.14Å; G172-C176 PolarHBondContact O-SG 3.33Å; G172-C176 VanDerWaalsContact O-SG 3.32Å |
| 173 | D | 75.6 | Confident | 78.9 | Confident | 136 Ų | 136 | 56.7 Ų | 56.7 | 73% | 0.727 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -66.2 | -25.5 | -179.2 | -67.5 | -26.1 | 0 | 0 | 0 | 113.1 | I171 N177 | I171-D173 PolarHBondContact O-N 3.2Å; D173-N177 PolarHBondContact O-N 3.48Å; D173-N177 PolarHBondContact O-ND2 2.95Å |
| 174 | V | 78.8 | Confident | 78.3 | Confident | 41 Ų | 41 | 61.4 Ų | 61.4 | 25% | 0.248 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -79.4 | -40.9 | -179 | 179.2 | 0 | 0 | 0 | 0 | 110.9 | I171 G172 N177 W183 F193 Y198 | I171-V174 WeakPolarHBondContact O-CB 3.39Å; I171-V174 PolarHBondContact O-N 2.99Å; I171-V174 VanDerWaalsContact O-N 3.08Å; G172-V174 PolarHBondContact O-N 3.44Å; V174-N177 PolarHBondContact O-N 3.04Å; V174-W183 HydrophobicContact CG1-CZ2 4.08Å; V174-F193 HydrophobicContact CG1-CE2 4.26Å; V174-Y198 HydrophobicContact CB-CD1 4.26Å; V174-Y198 HydrophobicContact CB-CE1 4.43Å; V174-Y198 HydrophobicContact CG1-CD1 3.74Å; V174-Y198 HydrophobicContact CG1-CD2 4.15Å; V174-Y198 HydrophobicContact CG1-CE1 3.52Å; V174-Y198 HydrophobicContact CG1-CE2 3.95Å; V174-Y198 HydrophobicContact CG1-CG 4.04Å; V174-Y198 HydrophobicContact CG2-CD1 3.59Å; V174-Y198 HydrophobicContact CG2-CE1 3.99Å; V174-Y198 HydrophobicContact CG2-CG 4.17Å |
| 175 | M | 74.1 | Confident | 77.7 | Confident | 5 Ų | 5 | 64.5 Ų | 64.5 | 3% | 0.025 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -68.5 | -36.6 | 177.6 | -76.6 | -78 | -176.4 | 0 | 0 | 111.9 | K161 I164 E165 I171 G172 W183 V190 F193 | K161-M175 HydrophobicContact CG-SD 4.19Å; I164-M175 HydrophobicContact CB-CE 4.26Å; I164-M175 HydrophobicContact CD1-CE 4.16Å; I164-M175 HydrophobicContact CG2-CE 3.83Å; E165-M175 HydrophobicContact CG-CB 4.01Å; E165-M175 HydrophobicContact CG-CG 4.1Å; E165-M175 WeakPolarHBondContact OE1-CB 3.49Å; I171-M175 HydrophobicContact CD1-CE 3.42Å; I171-M175 VanDerWaalsContact CD1-CE 3.42Å; I171-M175 HydrophobicContact CD1-CG 3.77Å; I171-M175 PolarHBondContact O-N 3.4Å; G172-M175 PolarHBondContact O-N 3.17Å; M175-W183 HydrophobicContact CE-CH2 3.84Å; M175-W183 HydrophobicContact CE-CZ3 3.61Å; M175-W183 HydrophobicContact CG-CH2 4.16Å; M175-W183 HydrophobicContact SD-CH2 3.37Å; M175-W183 WeakPolarHBondContact SD-CH2 3.43Å; M175-W183 HydrophobicContact SD-CZ3 3.46Å; M175-W183 WeakPolarHBondContact SD-CZ3 3.34Å; M175-V190 HydrophobicContact CE-CG1 4.08Å; M175-V190 HydrophobicContact SD-CG1 4.33Å; M175-F193 HydrophobicContact CE-CB 4.04Å; M175-F193 HydrophobicContact CE-CD1 3.36Å; M175-F193 HydrophobicContact CE-CD2 3.92Å; M175-F193 HydrophobicContact CE-CE1 3.64Å; M175-F193 HydrophobicContact CE-CE2 4.08Å; M175-F193 HydrophobicContact CE-CG 3.48Å; M175-F193 VanDerWaalsContact CE-CG 3.48Å; M175-F193 HydrophobicContact CE-CZ 3.94Å |
| 176 | C | 66.3 | Low | 77.3 | Confident | 87 Ų | 87 | 65.9 Ų | 65.9 | 59% | 0.588 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -66.7 | -33.1 | 176 | -70.9 | 0 | 0 | 0 | 0 | 113.7 | G172 | G172-C176 PolarHBondContact O-N 3.28Å; G172-C176 VanDerWaalsContact O-N 3.14Å; G172-C176 PolarHBondContact O-SG 3.33Å; G172-C176 VanDerWaalsContact O-SG 3.32Å |
| 177 | N | 65.5 | Low | 76.7 | Confident | 129 Ų | 129 | 67.7 Ų | 67.7 | 69% | 0.69 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.8 | 33.2 | -174.5 | -68.4 | -49.5 | 0 | 0 | 0 | 113.3 | D173 V174 V179 | D173-N177 PolarHBondContact O-N 3.48Å; D173-N177 PolarHBondContact O-ND2 2.95Å; V174-N177 PolarHBondContact O-N 3.04Å; N177-V179 PolarHBondContact O-N 2.86Å |
| 178 | S | 65.9 | Low | 76.3 | Confident | 11 Ų | 11 | 70.9 Ų | 70.9 | 8% | 0.077 | 43% | 0.428 | C | S | . | . | G | 310 helix | trans | -76.6 | 9.9 | -169.2 | 83.6 | 0 | 0 | 0 | 0 | 115.7 | N180 A181 H185 | S178-N180 PolarHBondContact O-N 3.37Å; S178-A181 WeakPolarHBondContact O-CB 3.23Å; S178-A181 PolarHBondContact O-N 3.2Å; S178-H185 PolarHBondContact O-NE2 3.14Å; S178-H185 PolarHBondContact OG-CE1 3.04Å; S178-H185 PolarHBondContact OG-NE2 2.87Å |
| 179 | V | 62 | Low | 76.2 | Confident | 133 Ų | 133 | 74.9 Ų | 74.9 | 81% | 0.806 | 45% | 0.447 | S | S | * | . | G | 310 helix | trans | -60 | -23.4 | -171.3 | -174.7 | 0 | 0 | 0 | 0 | 113 | N177 | N177-V179 PolarHBondContact O-N 2.86Š|
| 180 | N | 59.4 | Low | 76.2 | Confident | 163 Ų | 163 | 71 Ų | 71 | 87% | 0.872 | 42% | 0.422 | S | S | * | . | G | 310 helix | trans | -120.5 | 26.3 | 176.3 | -64.8 | -36.8 | 0 | 0 | 0 | 113.1 | S178 G182 | S178-N180 PolarHBondContact O-N 3.37Å; N180-G182 PolarHBondContact O-N 3.4Å |
| 181 | A | 66.4 | Low | 76.4 | Confident | 26 Ų | 26 | 70.2 Ų | 70.2 | 22% | 0.215 | 42% | 0.42 | C | S | . | . | trans | -63.7 | 125.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | S178 W183 | S178-A181 WeakPolarHBondContact O-CB 3.23Å; S178-A181 PolarHBondContact O-N 3.2Å; A181-W183 HydrophobicContact CB-CD2 4.1Å; A181-W183 HydrophobicContact CB-CG 3.89Å; A181-W183 HydrophobicContact CB-CZ2 4.38Å; A181-W183 PolarHBondContact O-N 3.23Å | ||
| 182 | G | 64 | Low | 76.8 | Confident | 90 Ų | 90 | 76.5 Ų | 76.5 | 93% | 0.928 | 44% | 0.443 | S | S | * | . | S | Bend | trans | -71.4 | 16.6 | 168.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | N180 | N180-G182 PolarHBondContact O-N 3.4Š|
| 183 | W | 76.2 | Confident | 77.6 | Confident | 28 Ų | 28 | 75.8 Ų | 75.8 | 11% | 0.106 | 44% | 0.436 | C | S | . | . | S | Bend | trans | -127.3 | 144.7 | -171.4 | 37.8 | -56.8 | 0 | 0 | 0 | 108.7 | V174 M175 A181 H185 V190 F193 | V174-W183 HydrophobicContact CG1-CZ2 4.08Å; M175-W183 HydrophobicContact CE-CH2 3.84Å; M175-W183 HydrophobicContact CE-CZ3 3.61Å; M175-W183 HydrophobicContact CG-CH2 4.16Å; M175-W183 HydrophobicContact SD-CH2 3.37Å; M175-W183 WeakPolarHBondContact SD-CH2 3.43Å; M175-W183 HydrophobicContact SD-CZ3 3.46Å; M175-W183 WeakPolarHBondContact SD-CZ3 3.34Å; A181-W183 HydrophobicContact CB-CD2 4.1Å; A181-W183 HydrophobicContact CB-CG 3.89Å; A181-W183 HydrophobicContact CB-CZ2 4.38Å; A181-W183 PolarHBondContact O-N 3.23Å; W183-H185 PolarHBondContact O-N 2.88Å; W183-V190 HydrophobicContact CD2-CG2 4.27Å; W183-V190 HydrophobicContact CE3-CB 4.45Å; W183-V190 HydrophobicContact CE3-CG2 3.13Å; W183-V190 HydrophobicContact CZ3-CB 4.3Å; W183-V190 HydrophobicContact CZ3-CG1 4.43Å; W183-V190 HydrophobicContact CZ3-CG2 3.36Å; W183-F193 AromaticContact CD2-CD2 3.77Å; W183-F193 HydrophobicContact CD2-CD2 3.77Å; W183-F193 AromaticContact CE2-CD2 3.93Å; W183-F193 HydrophobicContact CE3-CB 3.46Å; W183-F193 VanDerWaalsContact CE3-CB 3.46Å; W183-F193 AromaticContact CE3-CD2 3.18Å; W183-F193 HydrophobicContact CE3-CD2 3.18Å; W183-F193 HydrophobicContact CE3-CE2 4.15Å; W183-F193 AromaticContact CE3-CG 3.7Å; W183-F193 HydrophobicContact CE3-CG 3.7Å; W183-F193 AromaticContact CH2-CD2 3.09Å; W183-F193 HydrophobicContact CH2-CD2 3.09Å; W183-F193 AromaticContact CH2-CE2 3.22Å; W183-F193 HydrophobicContact CH2-CE2 3.22Å; W183-F193 AromaticContact CH2-CG 3.95Å; W183-F193 HydrophobicContact CH2-CG 3.95Å; W183-F193 HydrophobicContact CH2-CZ 4.25Å; W183-F193 AromaticContact CZ2-CD2 3.67Å; W183-F193 HydrophobicContact CZ2-CD2 3.67Å; W183-F193 AromaticContact CZ2-CE2 3.64Å; W183-F193 HydrophobicContact CZ2-CE2 3.64Å; W183-F193 HydrophobicContact CZ3-CB 3.45Å; W183-F193 VanDerWaalsContact CZ3-CB 3.45Å; W183-F193 HydrophobicContact CZ3-CD1 4.43Å; W183-F193 AromaticContact CZ3-CD2 2.82Å; W183-F193 HydrophobicContact CZ3-CD2 2.82Å; W183-F193 AromaticContact CZ3-CE2 3.52Å; W183-F193 HydrophobicContact CZ3-CE2 3.52Å; W183-F193 AromaticContact CZ3-CG 3.31Å; W183-F193 HydrophobicContact CZ3-CG 3.31Å |
| 184 | N | 79.1 | Confident | 78.4 | Confident | 110 Ų | 110 | 71.2 Ų | 71.2 | 59% | 0.588 | 41% | 0.414 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 123 | -169.5 | -174.2 | -9.2 | 0 | 0 | 0 | 110.1 | I191 | N184-I191 HydrophobicContact CB-CB 4.24Å; N184-I191 PolarHBondContact O-N 3.29Å |
| 185 | H | 82.3 | Confident | 79.1 | Confident | 64 Ų | 64 | 69.3 Ų | 69.3 | 30% | 0.296 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 159.8 | -176.5 | 77.1 | 88 | 0 | 0 | 0 | 112 | K161 S178 W183 H189 V190 | K161-H185 PolarHBondContact NZ-ND1 3.3Å; S178-H185 PolarHBondContact O-NE2 3.14Å; S178-H185 PolarHBondContact OG-CE1 3.04Å; S178-H185 PolarHBondContact OG-NE2 2.87Å; W183-H185 PolarHBondContact O-N 2.88Å; H185-H189 WeakPolarHBondContact CA-O 3.42Å; H185-H189 WeakPolarHBondContact CB-O 2.96Å; H185-V190 HydrophobicContact CB-CB 4.18Å; H185-V190 HydrophobicContact CB-CG2 3.83Å |
| 186 | D | 82.8 | Confident | 79.8 | Confident | 82 Ų | 82 | 71.9 Ų | 71.9 | 44% | 0.439 | 42% | 0.416 | S | S | . | . | trans | -118 | -158.4 | 165.3 | 67.6 | 40.6 | 0 | 0 | 0 | 110.6 | K161 T188 H189 | K161-D186 WeakPolarHBondContact CE-O 3.49Å; K161-D186 PolarHBondContact NZ-O 3.23Å; D186-T188 VanDerWaalsContact C-N 3.3Å; D186-T188 PolarHBondContact OD1-N 2.86Å; D186-T188 PolarHBondContact OD1-OG1 3.11Å; D186-T188 VanDerWaalsContact OD1-OG1 3.1Å; D186-H189 PolarHBondContact N-O 2.89Å; D186-H189 PolarHBondContact OD1-N 2.83Å | ||
| 187 | S | 81.2 | Confident | 80.7 | Confident | 113 Ų | 113 | 70.5 Ų | 70.5 | 79% | 0.79 | 42% | 0.417 | S | S | * | . | S | Bend | trans | -69.6 | -23.9 | 179.5 | 53.7 | 0 | 0 | 0 | 0 | 113.8 | ||
| 188 | T | 86.3 | Confident | 81.8 | Confident | 67 Ų | 67 | 69.4 Ų | 69.4 | 41% | 0.411 | 40% | 0.404 | S | S | . | . | S | Bend | trans | -126 | -31.2 | -171.6 | 55 | 0 | 0 | 0 | 0 | 113.4 | D160 K161 D186 | D160-T188 CarbonylContact C-O 3.53Å; D160-T188 WeakPolarHBondContact CA-O 3.38Å; K161-T188 WeakPolarHBondContact CG-O 2.99Å; K161-T188 PolarHBondContact N-O 3.38Å; D186-T188 VanDerWaalsContact C-N 3.3Å; D186-T188 PolarHBondContact OD1-N 2.86Å; D186-T188 PolarHBondContact OD1-OG1 3.11Å; D186-T188 VanDerWaalsContact OD1-OG1 3.1Å |
| 189 | H | 91.4 | Very high | 82.9 | Confident | 84 Ų | 84 | 69.3 Ų | 69.3 | 39% | 0.389 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 159 | -173.2 | -71.8 | 72.6 | 0 | 0 | 0 | 112 | G159 K161 H185 D186 | G159-H189 CarbonylContact O-C 3.56Å; G159-H189 VanDerWaalsContact O-CA 3.32Å; G159-H189 WeakPolarHBondContact O-CA 3.14Å; K161-H189 WeakPolarHBondContact CE-O 3.35Å; H185-H189 WeakPolarHBondContact CA-O 3.42Å; H185-H189 WeakPolarHBondContact CB-O 2.96Å; D186-H189 PolarHBondContact N-O 2.89Å; D186-H189 PolarHBondContact OD1-N 2.83Å |
| 190 | V | 92.4 | Very high | 84.2 | Confident | 2 Ų | 2 | 71.9 Ų | 71.9 | 1% | 0.012 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 146.3 | 174.3 | 70 | 0 | 0 | 0 | 0 | 111.8 | S158 G159 K161 I164 M175 W183 H185 F193 | S158-V190 CarbonylContact C-O 3.22Å; S158-V190 WeakPolarHBondContact CA-O 3.46Å; G159-V190 PolarHBondContact N-O 3.18Å; G159-V190 PolarHBondContact O-N 2.85Å; K161-V190 HydrophobicContact CG-CB 4.22Å; K161-V190 HydrophobicContact CG-CG1 4.34Å; I164-V190 HydrophobicContact CD1-CG1 3.49Å; I164-V190 VanDerWaalsContact CD1-CG1 3.49Å; M175-V190 HydrophobicContact CE-CG1 4.08Å; M175-V190 HydrophobicContact SD-CG1 4.33Å; W183-V190 HydrophobicContact CD2-CG2 4.27Å; W183-V190 HydrophobicContact CE3-CB 4.45Å; W183-V190 HydrophobicContact CE3-CG2 3.13Å; W183-V190 HydrophobicContact CZ3-CB 4.3Å; W183-V190 HydrophobicContact CZ3-CG1 4.43Å; W183-V190 HydrophobicContact CZ3-CG2 3.36Å; H185-V190 HydrophobicContact CB-CB 4.18Å; H185-V190 HydrophobicContact CB-CG2 3.83Å; V190-F193 HydrophobicContact CG1-CB 4.23Å; V190-F193 HydrophobicContact CG2-CB 4.19Å |
| 191 | I | 92.8 | Very high | 85.8 | Confident | 88 Ų | 88 | 65.4 Ų | 65.4 | 45% | 0.451 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 120.1 | -176.5 | -59.2 | 173.6 | 0 | 0 | 0 | 108.4 | N184 F193 | N184-I191 HydrophobicContact CB-CB 4.24Å; N184-I191 PolarHBondContact O-N 3.29Å; I191-F193 PolarHBondContact O-N 3.4Å |
| 192 | R | 92.8 | Very high | 87.2 | Confident | 132 Ų | 132 | 67.5 Ų | 67.5 | 50% | 0.498 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 55.5 | 45.2 | 178.4 | -58.9 | -179 | -177.8 | -160.9 | 4.6 | 114 | T156 L157 S158 P194 | T156-R192 HydrophobicContact CG2-CB 4.39Å; L157-R192 CarbonylContact O-C 3.48Å; L157-R192 WeakPolarHBondContact O-CA 3.36Å; L157-R192 PolarHBondContact O-N 2.91Å; L157-R192 VanDerWaalsContact O-N 3.13Å; S158-R192 PolarHBondContact OG-N 2.94Å; R192-P194 WeakPolarHBondContact O-CD 3.46Å |
| 193 | F | 93.8 | Very high | 88.7 | Confident | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -54.3 | 122.3 | 167.1 | 169.9 | -124.4 | 0 | 0 | 0 | 111.1 | T156 L157 I171 V174 M175 W183 V190 I191 L195 Y198 | T156-F193 CarbonylContact C-O 3.58Å; T156-F193 WeakPolarHBondContact CA-O 3.37Å; T156-F193 WeakPolarHBondContact CB-O 3.26Å; L157-F193 HydrophobicContact CB-CB 4.45Å; L157-F193 HydrophobicContact CB-CD1 4.42Å; L157-F193 PolarHBondContact N-O 3.18Å; L157-F193 PolarHBondContact O-N 2.8Å; I171-F193 HydrophobicContact CB-CE1 4.28Å; I171-F193 HydrophobicContact CB-CZ 4.05Å; I171-F193 HydrophobicContact CD1-CD1 4.1Å; I171-F193 HydrophobicContact CD1-CE1 3.31Å; I171-F193 HydrophobicContact CD1-CZ 3.73Å; I171-F193 HydrophobicContact CG1-CE1 4.31Å; I171-F193 HydrophobicContact CG1-CZ 4.49Å; I171-F193 HydrophobicContact CG2-CE1 4.17Å; I171-F193 HydrophobicContact CG2-CZ 4.08Å; V174-F193 HydrophobicContact CG1-CE2 4.26Å; M175-F193 HydrophobicContact CE-CB 4.04Å; M175-F193 HydrophobicContact CE-CD1 3.36Å; M175-F193 HydrophobicContact CE-CD2 3.92Å; M175-F193 HydrophobicContact CE-CE1 3.64Å; M175-F193 HydrophobicContact CE-CE2 4.08Å; M175-F193 HydrophobicContact CE-CG 3.48Å; M175-F193 VanDerWaalsContact CE-CG 3.48Å; M175-F193 HydrophobicContact CE-CZ 3.94Å; W183-F193 AromaticContact CD2-CD2 3.77Å; W183-F193 HydrophobicContact CD2-CD2 3.77Å; W183-F193 AromaticContact CE2-CD2 3.93Å; W183-F193 HydrophobicContact CE3-CB 3.46Å; W183-F193 VanDerWaalsContact CE3-CB 3.46Å; W183-F193 AromaticContact CE3-CD2 3.18Å; W183-F193 HydrophobicContact CE3-CD2 3.18Å; W183-F193 HydrophobicContact CE3-CE2 4.15Å; W183-F193 AromaticContact CE3-CG 3.7Å; W183-F193 HydrophobicContact CE3-CG 3.7Å; W183-F193 AromaticContact CH2-CD2 3.09Å; W183-F193 HydrophobicContact CH2-CD2 3.09Å; W183-F193 AromaticContact CH2-CE2 3.22Å; W183-F193 HydrophobicContact CH2-CE2 3.22Å; W183-F193 AromaticContact CH2-CG 3.95Å; W183-F193 HydrophobicContact CH2-CG 3.95Å; W183-F193 HydrophobicContact CH2-CZ 4.25Å; W183-F193 AromaticContact CZ2-CD2 3.67Å; W183-F193 HydrophobicContact CZ2-CD2 3.67Å; W183-F193 AromaticContact CZ2-CE2 3.64Å; W183-F193 HydrophobicContact CZ2-CE2 3.64Å; W183-F193 HydrophobicContact CZ3-CB 3.45Å; W183-F193 VanDerWaalsContact CZ3-CB 3.45Å; W183-F193 HydrophobicContact CZ3-CD1 4.43Å; W183-F193 AromaticContact CZ3-CD2 2.82Å; W183-F193 HydrophobicContact CZ3-CD2 2.82Å; W183-F193 AromaticContact CZ3-CE2 3.52Å; W183-F193 HydrophobicContact CZ3-CE2 3.52Å; W183-F193 AromaticContact CZ3-CG 3.31Å; W183-F193 HydrophobicContact CZ3-CG 3.31Å; V190-F193 HydrophobicContact CG1-CB 4.23Å; V190-F193 HydrophobicContact CG2-CB 4.19Å; I191-F193 PolarHBondContact O-N 3.4Å; F193-L195 HydrophobicContact CD1-CB 4.31Å; F193-L195 HydrophobicContact CD1-CD1 4.45Å; F193-L195 HydrophobicContact CE1-CB 4.28Å; F193-L195 HydrophobicContact CE1-CD1 3.88Å; F193-L195 PolarHBondContact O-N 2.95Å; F193-Y198 HydrophobicContact CD2-CD2 4.47Å; F193-Y198 HydrophobicContact CD2-CE2 4.45Å; F193-Y198 AromaticContact CE2-CD2 3.43Å; F193-Y198 HydrophobicContact CE2-CD2 3.43Å; F193-Y198 VanDerWaalsContact CE2-CD2 3.43Å; F193-Y198 AromaticContact CE2-CE2 3.61Å; F193-Y198 HydrophobicContact CE2-CE2 3.61Å; F193-Y198 HydrophobicContact CE2-CG 4.4Å; F193-Y198 AromaticContact CZ-CD2 3.52Å; F193-Y198 HydrophobicContact CZ-CD2 3.52Å; F193-Y198 HydrophobicContact CZ-CE2 4.19Å; F193-Y198 HydrophobicContact CZ-CG 4.19Å |
| 194 | P | 93 | Very high | 89.6 | Confident | 41 Ų | 41 | 67.4 Ų | 67.4 | 27% | 0.266 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 85 | 179.1 | 30.6 | -36.3 | 0 | 0 | 0 | 112 | R192 N196 G197 Y198 | R192-P194 WeakPolarHBondContact O-CD 3.46Å; P194-N196 VanDerWaalsContact C-N 3.35Å; P194-N196 PolarHBondContact O-N 3.32Å; P194-G197 PolarHBondContact O-N 3.21Å; P194-G197 VanDerWaalsContact O-N 3.15Å; P194-Y198 HydrophobicContact CG-CE2 4.2Å; P194-Y198 WeakPolarHBondContact O-CD2 3.41Å |
| 195 | L | 92.8 | Very high | 90.5 | Very high | 1 Ų | 1 | 66 Ų | 66 | 1% | 0.005 | 35% | 0.353 | C | S | . | . | G | 310 helix | trans | -57.9 | -44.8 | -175.7 | 179 | 67.4 | 0 | 0 | 0 | 112.6 | I155 L157 F168 I171 F193 G197 Y198 C199 V206 | I155-L195 HydrophobicContact CG2-CB 4.37Å; I155-L195 HydrophobicContact CG2-CD2 4.1Å; I155-L195 PolarHBondContact O-N 3.34Å; L157-L195 HydrophobicContact CD1-CB 4.3Å; L157-L195 HydrophobicContact CD1-CD1 3.95Å; L157-L195 HydrophobicContact CD1-CD2 3.87Å; L157-L195 HydrophobicContact CD1-CG 4.25Å; L157-L195 HydrophobicContact CD2-CD2 4.42Å; L157-L195 HydrophobicContact CG-CB 4.14Å; L157-L195 HydrophobicContact CG-CD2 4.08Å; F168-L195 HydrophobicContact CD1-CD1 4.35Å; F168-L195 HydrophobicContact CE1-CD2 4.24Å; F168-L195 HydrophobicContact CG-CD1 4.23Å; F168-L195 HydrophobicContact CZ-CD2 4.33Å; I171-L195 HydrophobicContact CG2-CD1 4.21Å; F193-L195 HydrophobicContact CD1-CB 4.31Å; F193-L195 HydrophobicContact CD1-CD1 4.45Å; F193-L195 HydrophobicContact CE1-CB 4.28Å; F193-L195 HydrophobicContact CE1-CD1 3.88Å; F193-L195 PolarHBondContact O-N 2.95Å; L195-G197 PolarHBondContact O-N 3.48Å; L195-G197 VanDerWaalsContact O-N 3.12Å; L195-Y198 PolarHBondContact O-N 3.22Å; L195-C199 HydrophobicContact CD1-CB 3.76Å; L195-C199 HydrophobicContact CG-CB 4.04Å; L195-C199 WeakPolarHBondContact O-CB 3.33Å; L195-C199 PolarHBondContact O-N 3.08Å; L195-V206 HydrophobicContact CD2-CG1 4.1Å; L195-V206 HydrophobicContact CD2-CG2 3.56Å |
| 196 | N | 89.8 | Confident | 91.2 | Very high | 59 Ų | 59 | 62.9 Ų | 62.9 | 32% | 0.316 | 34% | 0.339 | S | S | . | . | G | 310 helix | trans | -65 | -14.5 | -178 | 69.1 | -36.7 | 0 | 0 | 0 | 113.8 | E153 R154 I155 P194 Y198 C199 | E153-N196 PolarHBondContact O-ND2 3.14Å; R154-N196 WeakPolarHBondContact CA-ND2 3.47Å; I155-N196 HydrophobicContact CB-CB 4.37Å; I155-N196 PolarHBondContact O-OD1 3.34Å; P194-N196 VanDerWaalsContact C-N 3.35Å; P194-N196 PolarHBondContact O-N 3.32Å; N196-Y198 VanDerWaalsContact C-N 3.31Å; N196-C199 WeakPolarHBondContact CA-O 3.35Å |
| 197 | G | 86 | Confident | 91.9 | Very high | 58 Ų | 58 | 60.3 Ų | 60.3 | 60% | 0.598 | 33% | 0.325 | S | S | * | . | G | 310 helix | trans | -75.5 | -18.9 | 172.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | P194 L195 | P194-G197 PolarHBondContact O-N 3.21Å; P194-G197 VanDerWaalsContact O-N 3.15Å; L195-G197 PolarHBondContact O-N 3.48Å; L195-G197 VanDerWaalsContact O-N 3.12Å |
| 198 | Y | 88.6 | Confident | 92.7 | Very high | 106 Ų | 106 | 59.5 Ų | 59.5 | 42% | 0.416 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -128.8 | -10.1 | -173.6 | -55.7 | -78 | 0 | 0 | 0 | 113.2 | V174 F193 P194 L195 N196 | V174-Y198 HydrophobicContact CB-CD1 4.26Å; V174-Y198 HydrophobicContact CB-CE1 4.43Å; V174-Y198 HydrophobicContact CG1-CD1 3.74Å; V174-Y198 HydrophobicContact CG1-CD2 4.15Å; V174-Y198 HydrophobicContact CG1-CE1 3.52Å; V174-Y198 HydrophobicContact CG1-CE2 3.95Å; V174-Y198 HydrophobicContact CG1-CG 4.04Å; V174-Y198 HydrophobicContact CG2-CD1 3.59Å; V174-Y198 HydrophobicContact CG2-CE1 3.99Å; V174-Y198 HydrophobicContact CG2-CG 4.17Å; F193-Y198 HydrophobicContact CD2-CD2 4.47Å; F193-Y198 HydrophobicContact CD2-CE2 4.45Å; F193-Y198 AromaticContact CE2-CD2 3.43Å; F193-Y198 HydrophobicContact CE2-CD2 3.43Å; F193-Y198 VanDerWaalsContact CE2-CD2 3.43Å; F193-Y198 AromaticContact CE2-CE2 3.61Å; F193-Y198 HydrophobicContact CE2-CE2 3.61Å; F193-Y198 HydrophobicContact CE2-CG 4.4Å; F193-Y198 AromaticContact CZ-CD2 3.52Å; F193-Y198 HydrophobicContact CZ-CD2 3.52Å; F193-Y198 HydrophobicContact CZ-CE2 4.19Å; F193-Y198 HydrophobicContact CZ-CG 4.19Å; P194-Y198 HydrophobicContact CG-CE2 4.2Å; P194-Y198 WeakPolarHBondContact O-CD2 3.41Å; L195-Y198 PolarHBondContact O-N 3.22Å; N196-Y198 VanDerWaalsContact C-N 3.31Å |
| 199 | C | 87.6 | Confident | 93.3 | Very high | 8 Ų | 8 | 59.4 Ų | 59.4 | 5% | 0.054 | 30% | 0.301 | C | S | . | . | trans | -137.1 | 133.5 | -176.9 | -169.3 | 0 | 0 | 0 | 0 | 110.1 | I171 L195 N196 L201 | I171-C199 HydrophobicContact CG2-CB 4.24Å; L195-C199 HydrophobicContact CD1-CB 3.76Å; L195-C199 HydrophobicContact CG-CB 4.04Å; L195-C199 WeakPolarHBondContact O-CB 3.33Å; L195-C199 PolarHBondContact O-N 3.08Å; N196-C199 WeakPolarHBondContact CA-O 3.35Å; C199-L201 VanDerWaalsContact C-N 3.31Å; C199-L201 PolarHBondContact O-N 3.34Å; C199-L201 VanDerWaalsContact SG-CD1 3.58Å; C199-L201 VanDerWaalsContact SG-CG 3.59Å | ||
| 200 | H | 89.6 | Confident | 93.6 | Very high | 187 Ų | 187 | 55.4 Ų | 55.4 | 87% | 0.866 | 28% | 0.282 | S | S | * | . | trans | -92.4 | 55.3 | -177.4 | -59.9 | -56.4 | 0 | 0 | 0 | 112.2 | ||||
| 201 | L | 93.9 | Very high | 93.8 | Very high | 28 Ų | 28 | 60.3 Ų | 60.3 | 15% | 0.147 | 31% | 0.305 | C | S | . | . | trans | -118.3 | 140.3 | 176.4 | -61 | 175.7 | 0 | 0 | 0 | 110.3 | I155 F168 C199 Q205 V206 | I155-L201 WeakPolarHBondContact CD1-O 3.29Å; F168-L201 HydrophobicContact CD1-CD1 4.22Å; F168-L201 HydrophobicContact CE1-CD1 4.05Å; C199-L201 VanDerWaalsContact C-N 3.31Å; C199-L201 PolarHBondContact O-N 3.34Å; C199-L201 VanDerWaalsContact SG-CD1 3.58Å; C199-L201 VanDerWaalsContact SG-CG 3.59Å; L201-Q205 HydrophobicContact CB-CB 4.15Å; L201-Q205 HydrophobicContact CD2-CB 4.07Å; L201-V206 HydrophobicContact CB-CG2 3.8Å; L201-V206 HydrophobicContact CD1-CG2 4.39Å | ||
| 202 | N | 94.9 | Very high | 93.9 | Very high | 69 Ų | 69 | 62.7 Ų | 62.7 | 37% | 0.369 | 31% | 0.314 | S | S | . | . | trans | -82.1 | 170.5 | 168.6 | 69.6 | 39.1 | 0 | 0 | 0 | 111.2 | E153 V204 Q205 V206 | E153-N202 WeakPolarHBondContact OE2-CA 3.42Å; E153-N202 WeakPolarHBondContact OE2-CB 3.45Å; N202-V204 VanDerWaalsContact C-N 3.28Å; N202-V204 PolarHBondContact O-N 2.86Å; N202-V204 WeakPolarHBondContact OD1-CB 3.46Å; N202-V204 PolarHBondContact OD1-N 3.16Å; N202-V204 VanDerWaalsContact OD1-N 3.11Å; N202-Q205 PolarHBondContact ND2-OE1 2.81Å; N202-Q205 PolarHBondContact O-N 2.99Å; N202-Q205 WeakPolarHBondContact OD1-CG 3.43Å; N202-Q205 PolarHBondContact OD1-N 3.01Å; N202-V206 WeakPolarHBondContact O-CG2 3.35Å; N202-V206 PolarHBondContact O-N 3.37Å | ||
| 203 | S | 95.2 | Very high | 94.1 | Very high | 17 Ų | 17 | 61.1 Ų | 61.1 | 12% | 0.119 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -55.5 | -41.6 | -177.2 | 60.2 | 0 | 0 | 0 | 0 | 112.9 | E153 V206 L207 | E153-S203 WeakPolarHBondContact OE1-CB 3.31Å; E153-S203 PolarHBondContact OE1-OG 2.97Å; E153-S203 PolarHBondContact OE2-N 2.98Å; E153-S203 PolarHBondContact OE2-OG 3.04Å; S203-V206 PolarHBondContact O-N 3.12Å; S203-L207 WeakPolarHBondContact O-CG 3.49Å; S203-L207 PolarHBondContact O-N 2.92Å |
| 204 | V | 96.1 | Very high | 94.1 | Very high | 99 Ų | 99 | 63.2 Ų | 63.2 | 60% | 0.6 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -63.9 | -46.9 | 178.8 | -179.8 | 0 | 0 | 0 | 0 | 110.8 | N202 V206 L207 E208 | N202-V204 VanDerWaalsContact C-N 3.28Å; N202-V204 PolarHBondContact O-N 2.86Å; N202-V204 WeakPolarHBondContact OD1-CB 3.46Å; N202-V204 PolarHBondContact OD1-N 3.16Å; N202-V204 VanDerWaalsContact OD1-N 3.11Å; V204-V206 VanDerWaalsContact C-N 3.33Å; V204-V206 PolarHBondContact O-N 2.81Å; V204-L207 PolarHBondContact O-N 3.47Å; V204-E208 VanDerWaalsContact O-CB 3.31Å; V204-E208 WeakPolarHBondContact O-CB 3.43Å; V204-E208 PolarHBondContact O-N 2.87Å |
| 205 | Q | 97.2 | Very high | 94.3 | Very high | 80 Ų | 80 | 61.5 Ų | 61.5 | 37% | 0.374 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -65.4 | -35.8 | 179.3 | -69.1 | 171.3 | -45 | 0 | 0 | 112.4 | L201 N202 R209 | L201-Q205 HydrophobicContact CB-CB 4.15Å; L201-Q205 HydrophobicContact CD2-CB 4.07Å; N202-Q205 PolarHBondContact ND2-OE1 2.81Å; N202-Q205 PolarHBondContact O-N 2.99Å; N202-Q205 WeakPolarHBondContact OD1-CG 3.43Å; N202-Q205 PolarHBondContact OD1-N 3.01Å; Q205-R209 VanDerWaalsContact O-CB 3.29Å; Q205-R209 WeakPolarHBondContact O-CB 3.5Å; Q205-R209 PolarHBondContact O-N 2.63Å |
| 206 | V | 97.3 | Very high | 94.5 | Very high | 0 Ų | 0 | 68.7 Ų | 68.7 | 0% | 0 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -63.9 | -49.1 | 174.9 | 169.4 | 0 | 0 | 0 | 0 | 110.6 | V145 I155 F168 L195 L201 N202 S203 V204 R209 L210 | V145-V206 HydrophobicContact CG1-CG1 4.16Å; V145-V206 HydrophobicContact CG2-CG1 4.26Å; I155-V206 HydrophobicContact CD1-CG2 4.17Å; I155-V206 HydrophobicContact CG2-CG2 4.49Å; F168-V206 HydrophobicContact CE1-CG1 4.48Å; F168-V206 HydrophobicContact CE1-CG2 4.46Å; F168-V206 HydrophobicContact CZ-CG1 3.96Å; L195-V206 HydrophobicContact CD2-CG1 4.1Å; L195-V206 HydrophobicContact CD2-CG2 3.56Å; L201-V206 HydrophobicContact CB-CG2 3.8Å; L201-V206 HydrophobicContact CD1-CG2 4.39Å; N202-V206 WeakPolarHBondContact O-CG2 3.35Å; N202-V206 PolarHBondContact O-N 3.37Å; S203-V206 PolarHBondContact O-N 3.12Å; V204-V206 VanDerWaalsContact C-N 3.33Å; V204-V206 PolarHBondContact O-N 2.81Å; V206-R209 PolarHBondContact O-N 2.84Å; V206-L210 HydrophobicContact CG1-CD1 4.08Å; V206-L210 WeakPolarHBondContact O-CG 3.49Å; V206-L210 PolarHBondContact O-N 3.48Å |
| 207 | L | 97.7 | Very high | 94.9 | Very high | 27 Ų | 27 | 69.5 Ų | 69.5 | 14% | 0.141 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -64.3 | -42.8 | 178.5 | -68.7 | 173.9 | 0 | 0 | 0 | 111.7 | V145 S203 V204 R209 L210 Q211 Y233 L235 | V145-L207 HydrophobicContact CB-CD2 4.46Å; V145-L207 HydrophobicContact CG1-CD2 4.44Å; V145-L207 HydrophobicContact CG2-CD2 4.46Å; S203-L207 WeakPolarHBondContact O-CG 3.49Å; S203-L207 PolarHBondContact O-N 2.92Å; V204-L207 PolarHBondContact O-N 3.47Å; L207-R209 PolarHBondContact O-N 2.8Å; L207-L210 PolarHBondContact O-N 3.25Å; L207-Q211 WeakPolarHBondContact O-CG 3.32Å; L207-Q211 PolarHBondContact O-N 2.86Å; L207-Y233 HydrophobicContact CD1-CD2 4.35Å; L207-Y233 HydrophobicContact CD1-CE2 4.2Å; L207-Y233 HydrophobicContact CD2-CD2 4.15Å; L207-Y233 HydrophobicContact CD2-CG 4.22Å; L207-L235 HydrophobicContact CD2-CD1 4.29Å; L207-L235 HydrophobicContact CD2-CD2 4.17Å |
| 208 | E | 97.9 | Very high | 95.4 | Very high | 96 Ų | 96 | 70 Ų | 70 | 45% | 0.449 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -61.2 | -44.9 | 177 | -173.4 | -177.6 | -168.5 | 0 | 0 | 111.3 | V204 L210 Q211 Q212 | V204-E208 VanDerWaalsContact O-CB 3.31Å; V204-E208 WeakPolarHBondContact O-CB 3.43Å; V204-E208 PolarHBondContact O-N 2.87Å; E208-L210 VanDerWaalsContact C-N 3.35Å; E208-L210 PolarHBondContact O-N 3.08Å; E208-Q211 PolarHBondContact O-N 3.39Å; E208-Q212 VanDerWaalsContact O-CG 3.29Å; E208-Q212 WeakPolarHBondContact O-CG 3.49Å; E208-Q212 PolarHBondContact O-N 2.76Å; E208-Q212 PolarHBondContact OE1-NE2 2.75Å |
| 209 | R | 97.8 | Very high | 95.8 | Very high | 66 Ų | 66 | 66.4 Ų | 66.4 | 25% | 0.249 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -62.1 | -42 | 177.4 | -177.1 | 168.8 | -63.8 | -175.7 | 0.2 | 112.2 | V167 F168 E170 Q205 V206 L207 Q211 Q212 R213 | V167-R209 HydrophobicContact CG1-CG 4.4Å; F168-R209 HydrophobicContact CE1-CG 4.48Å; E170-R209 IonicContact OE1-CZ 3.91Å; E170-R209 IonicContact OE1-NH1 3.81Å; E170-R209 PolarHBondContact OE1-NH1 2.97Å; E170-R209 IonicContact OE2-NH1 3.78Å; Q205-R209 VanDerWaalsContact O-CB 3.29Å; Q205-R209 WeakPolarHBondContact O-CB 3.5Å; Q205-R209 PolarHBondContact O-N 2.63Å; V206-R209 PolarHBondContact O-N 2.84Å; L207-R209 PolarHBondContact O-N 2.8Å; R209-Q211 VanDerWaalsContact C-N 3.34Å; R209-Q212 PolarHBondContact O-N 3.2Å; R209-R213 WeakPolarHBondContact O-CG 3.47Å; R209-R213 PolarHBondContact O-N 3.07Å |
| 210 | L | 97.7 | Very high | 96.2 | Very high | 0 Ų | 0 | 70.3 Ų | 70.3 | 0% | 0 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -61.7 | -44.3 | 175.8 | -74.2 | 163.8 | 0 | 0 | 0 | 111 | L143 V145 V167 F168 V206 L207 E208 Q212 R213 G214 F215 L235 | L143-L210 HydrophobicContact CD1-CD2 3.57Å; V145-L210 HydrophobicContact CG2-CD1 3.43Å; V145-L210 VanDerWaalsContact CG2-CD1 3.43Å; V167-L210 HydrophobicContact CG1-CD2 3.76Å; V167-L210 HydrophobicContact CG1-CG 4.41Å; V167-L210 HydrophobicContact CG2-CD2 4.48Å; F168-L210 HydrophobicContact CE2-CD2 4.35Å; F168-L210 HydrophobicContact CZ-CG 4.28Å; V206-L210 HydrophobicContact CG1-CD1 4.08Å; V206-L210 WeakPolarHBondContact O-CG 3.49Å; V206-L210 PolarHBondContact O-N 3.48Å; L207-L210 PolarHBondContact O-N 3.25Å; E208-L210 VanDerWaalsContact C-N 3.35Å; E208-L210 PolarHBondContact O-N 3.08Å; L210-Q212 PolarHBondContact O-N 2.74Å; L210-R213 CarbonylContact O-C 3.54Å; L210-R213 PolarHBondContact O-N 3.1Å; L210-R213 VanDerWaalsContact O-N 3.12Å; L210-G214 PolarHBondContact O-N 3.49Å; L210-F215 HydrophobicContact CB-CB 4.17Å; L210-F215 HydrophobicContact CB-CD2 4.46Å; L210-F215 HydrophobicContact CB-CG 4.49Å; L210-F215 HydrophobicContact CD2-CD2 3.93Å; L210-F215 HydrophobicContact CD2-CE2 4.12Å; L210-F215 HydrophobicContact CD2-CG 4.2Å; L210-F215 WeakPolarHBondContact O-CB 3.48Å; L210-F215 WeakPolarHBondContact O-CD2 3.4Å; L210-F215 PolarHBondContact O-N 3Å; L210-L235 HydrophobicContact CB-CD2 3.81Å; L210-L235 HydrophobicContact CD1-CD1 4.16Å; L210-L235 HydrophobicContact CD1-CD2 3.92Å; L210-L235 HydrophobicContact CG-CD2 4.45Å |
| 211 | Q | 96.5 | Very high | 96.6 | Very high | 104 Ų | 104 | 65.1 Ų | 65.1 | 49% | 0.486 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -61.9 | -43.4 | 175.3 | -72 | 174.5 | -19.5 | 0 | 0 | 112.5 | L207 E208 R209 R213 G214 F215 | L207-Q211 WeakPolarHBondContact O-CG 3.32Å; L207-Q211 PolarHBondContact O-N 2.86Å; E208-Q211 PolarHBondContact O-N 3.39Å; R209-Q211 VanDerWaalsContact C-N 3.34Å; Q211-R213 PolarHBondContact O-N 3.15Å; Q211-G214 PolarHBondContact O-N 2.99Å; Q211-F215 WeakPolarHBondContact CA-O 3.35Å |
| 212 | Q | 96.6 | Very high | 96.7 | Very high | 139 Ų | 139 | 66.2 Ų | 66.2 | 65% | 0.65 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -62.4 | -28.6 | 174.7 | -71 | 171.7 | 2 | 0 | 0 | 112.7 | E208 R209 L210 G214 | E208-Q212 VanDerWaalsContact O-CG 3.29Å; E208-Q212 WeakPolarHBondContact O-CG 3.49Å; E208-Q212 PolarHBondContact O-N 2.76Å; E208-Q212 PolarHBondContact OE1-NE2 2.75Å; R209-Q212 PolarHBondContact O-N 3.2Å; L210-Q212 PolarHBondContact O-N 2.74Å; Q212-G214 VanDerWaalsContact C-N 3.26Å; Q212-G214 PolarHBondContact O-N 2.86Å |
| 213 | R | 95.4 | Very high | 96.6 | Very high | 99 Ų | 99 | 64.7 Ų | 64.7 | 37% | 0.374 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.3 | 8.8 | 173.6 | -70.2 | -68.1 | -165.2 | 123.4 | 9.8 | 113.7 | D166 V167 R209 L210 Q211 F215 R237 | D166-R213 VanDerWaalsContact O-CZ 3.3Å; D166-R213 PolarHBondContact O-NH1 3.42Å; D166-R213 PolarHBondContact O-NH2 2.76Å; D166-R213 IonicContact OD1-NH1 3.81Å; D166-R213 PolarHBondContact OD1-NH1 3.3Å; D166-R213 IonicContact OD2-NH1 2.97Å; D166-R213 PolarHBondContact OD2-NH1 3.11Å; V167-R213 HydrophobicContact CG1-CG 4.42Å; R209-R213 WeakPolarHBondContact O-CG 3.47Å; R209-R213 PolarHBondContact O-N 3.07Å; L210-R213 CarbonylContact O-C 3.54Å; L210-R213 PolarHBondContact O-N 3.1Å; L210-R213 VanDerWaalsContact O-N 3.12Å; Q211-R213 PolarHBondContact O-N 3.15Å; R213-F215 HydrophobicContact CB-CD2 4.18Å; R213-F215 HydrophobicContact CB-CE2 4.38Å; R213-R237 WeakPolarHBondContact O-CD 3.11Å; R213-R237 PolarHBondContact O-NH1 2.87Å |
| 214 | G | 95.2 | Very high | 96.4 | Very high | 44 Ų | 44 | 66.2 Ų | 66.2 | 45% | 0.454 | 40% | 0.398 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 86.2 | 14.5 | 174 | 0 | 0 | 0 | 0 | 0 | 114.9 | L210 Q211 Q212 R237 | L210-G214 PolarHBondContact O-N 3.49Å; Q211-G214 PolarHBondContact O-N 2.99Å; Q212-G214 VanDerWaalsContact C-N 3.26Å; Q212-G214 PolarHBondContact O-N 2.86Å; G214-R237 WeakPolarHBondContact O-CG 3.27Å |
| 215 | F | 97.1 | Very high | 95.8 | Very high | 4 Ų | 4 | 66.6 Ų | 66.6 | 2% | 0.018 | 40% | 0.4 | C | S | . | . | trans | -83.2 | 138.5 | 170.8 | -69.9 | -99.2 | 0 | 0 | 0 | 111.1 | E141 L143 L163 V167 L210 Q211 R213 L235 R236 R237 | E141-F215 HydrophobicContact CB-CE1 4.4Å; L143-F215 HydrophobicContact CB-CE1 4.37Å; L143-F215 HydrophobicContact CD1-CE1 3.99Å; L143-F215 HydrophobicContact CD1-CE2 4.41Å; L143-F215 HydrophobicContact CD1-CZ 3.78Å; L143-F215 HydrophobicContact CG-CE1 3.93Å; L143-F215 HydrophobicContact CG-CZ 4.15Å; L163-F215 HydrophobicContact CD1-CZ 3.95Å; L163-F215 HydrophobicContact CD2-CE1 4.31Å; L163-F215 HydrophobicContact CD2-CZ 3.98Å; L163-F215 HydrophobicContact CG-CZ 4.14Å; V167-F215 HydrophobicContact CG2-CE2 3.83Å; V167-F215 HydrophobicContact CG2-CZ 4.34Å; L210-F215 HydrophobicContact CB-CB 4.17Å; L210-F215 HydrophobicContact CB-CD2 4.46Å; L210-F215 HydrophobicContact CB-CG 4.49Å; L210-F215 HydrophobicContact CD2-CD2 3.93Å; L210-F215 HydrophobicContact CD2-CE2 4.12Å; L210-F215 HydrophobicContact CD2-CG 4.2Å; L210-F215 WeakPolarHBondContact O-CB 3.48Å; L210-F215 WeakPolarHBondContact O-CD2 3.4Å; L210-F215 PolarHBondContact O-N 3Å; Q211-F215 WeakPolarHBondContact CA-O 3.35Å; R213-F215 HydrophobicContact CB-CD2 4.18Å; R213-F215 HydrophobicContact CB-CE2 4.38Å; F215-L235 HydrophobicContact CB-CB 4.09Å; F215-L235 HydrophobicContact CB-CD2 4.35Å; F215-L235 HydrophobicContact CD1-CB 4.16Å; F215-R236 WeakPolarHBondContact CA-O 3.1Å; F215-R237 HydrophobicContact CD1-CB 3.8Å; F215-R237 HydrophobicContact CD2-CB 4.26Å; F215-R237 HydrophobicContact CE1-CB 3.94Å; F215-R237 HydrophobicContact CE2-CB 4.38Å; F215-R237 HydrophobicContact CG-CB 3.98Å; F215-R237 HydrophobicContact CZ-CB 4.23Å | ||
| 216 | E | 96.9 | Very high | 94.9 | Very high | 152 Ų | 152 | 69.8 Ų | 69.8 | 71% | 0.71 | 42% | 0.419 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 148.2 | 172.4 | -63.9 | 179.7 | 175.1 | 0 | 0 | 109.9 | A218 L235 R236 | E216-A218 PolarHBondContact O-N 2.95Å; E216-L235 CarbonylContact O-C 3.58Å; E216-L235 VanDerWaalsContact O-CA 3.23Å; E216-L235 WeakPolarHBondContact O-CA 3.34Å; E216-R236 PolarHBondContact N-O 2.81Å; E216-R236 PolarHBondContact O-N 3.3Å |
| 217 | I | 97 | Very high | 94 | Very high | 76 Ų | 76 | 75.2 Ų | 75.2 | 39% | 0.39 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 108.8 | 175.1 | -60.8 | 175.1 | 0 | 0 | 0 | 108.1 | G219 L235 | I217-G219 WeakPolarHBondContact CG2-O 3.19Å; I217-L235 HydrophobicContact CG1-CD2 4.11Å; I217-L235 HydrophobicContact CG1-CG 4.26Å |
| 218 | A | 96.2 | Very high | 93.5 | Very high | 70 Ų | 70 | 77 Ų | 77 | 58% | 0.579 | 47% | 0.472 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.8 | -21.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | E216 V234 R236 | E216-A218 PolarHBondContact O-N 2.95Å; A218-V234 PolarHBondContact N-O 2.88Å; A218-R236 HydrophobicContact CB-CB 4.11Å |
| 219 | G | 97.4 | Very high | 93.3 | Very high | 30 Ų | 30 | 76.9 Ų | 76.9 | 31% | 0.309 | 47% | 0.471 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.9 | 151.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | I217 Y233 V234 | I217-G219 WeakPolarHBondContact CG2-O 3.19Å; G219-Y233 WeakPolarHBondContact O-CA 3.36Å; G219-V234 PolarHBondContact N-O 2.85Å; G219-V234 PolarHBondContact O-N 2.91Å |
| 220 | S | 97.5 | Very high | 93.1 | Very high | 90 Ų | 90 | 76 Ų | 76 | 63% | 0.629 | 47% | 0.47 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 134.5 | 175.7 | 61.7 | 0 | 0 | 0 | 0 | 110.2 | E232 | S220-E232 CarbonylContact C-O 3.57Å; S220-E232 WeakPolarHBondContact CA-O 3.2Å |
| 221 | C | 97.2 | Very high | 93.1 | Very high | 78 Ų | 78 | 78.3 Ų | 78.3 | 53% | 0.527 | 49% | 0.485 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 171.3 | 171.6 | 65.5 | 0 | 0 | 0 | 0 | 110.5 | E232 | C221-E232 PolarHBondContact N-O 2.81Å; C221-E232 PolarHBondContact O-N 2.85Å |
| 222 | G | 95.4 | Very high | 93.1 | Very high | 51 Ų | 51 | 75.7 Ų | 75.7 | 53% | 0.526 | 47% | 0.473 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -172.7 | 167.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111 | F230 | G222-F230 CarbonylContact C-O 3.47Å; G222-F230 WeakPolarHBondContact CA-O 3.33Å |
| 223 | G | 93.8 | Very high | 93.2 | Very high | 36 Ų | 36 | 71.9 Ų | 71.9 | 37% | 0.371 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 169.9 | -162.9 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112 | Q229 F230 | G223-Q229 CarbonylContact O-C 3.57Å; G223-Q229 VanDerWaalsContact O-CA 3.27Å; G223-Q229 WeakPolarHBondContact O-CA 3.38Å; G223-F230 PolarHBondContact N-O 2.86Å; G223-F230 VanDerWaalsContact O-CD1 3.28Å; G223-F230 WeakPolarHBondContact O-CD1 3.37Å; G223-F230 PolarHBondContact O-N 2.93Å |
| 224 | G | 89.6 | Confident | 93.4 | Very high | 50 Ų | 50 | 69.9 Ų | 69.9 | 52% | 0.515 | 45% | 0.452 | S | S | . | . | trans | 100.2 | 162.8 | -175.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 225 | V | 85.5 | Confident | 93.5 | Very high | 107 Ų | 107 | 67.8 Ų | 67.8 | 65% | 0.648 | 43% | 0.43 | S | S | * | . | trans | -109 | 146.9 | 176.7 | -65.1 | 0 | 0 | 0 | 0 | 109.4 | S227 S228 | V225-S227 PolarHBondContact O-N 2.77Å; V225-S228 PolarHBondContact N-OG 3.13Å; V225-S228 WeakPolarHBondContact O-CA 3.48Å; V225-S228 PolarHBondContact O-N 3.47Å; V225-S228 PolarHBondContact O-OG 2.87Å | ||
| 226 | D | 77.3 | Confident | 93.4 | Very high | 146 Ų | 146 | 71.6 Ų | 71.6 | 78% | 0.781 | 45% | 0.445 | S | S | * | . | G | 310 helix | trans | 26.3 | -86.6 | 174.1 | -57.6 | -22.9 | 0 | 0 | 0 | 115.8 | Q229 | D226-Q229 PolarHBondContact O-NE2 2.92Š|
| 227 | S | 78.9 | Confident | 93.3 | Very high | 115 Ų | 115 | 66.2 Ų | 66.2 | 80% | 0.804 | 42% | 0.418 | S | S | * | . | G | 310 helix | trans | -86.5 | 2.3 | -176.3 | 57.3 | 0 | 0 | 0 | 0 | 116.3 | V225 | V225-S227 PolarHBondContact O-N 2.77Š|
| 228 | S | 86.4 | Confident | 92.9 | Very high | 63 Ų | 63 | 67.2 Ų | 67.2 | 44% | 0.441 | 42% | 0.421 | S | S | . | . | G | 310 helix | trans | -125.9 | 14.4 | -173.2 | 66.5 | 0 | 0 | 0 | 0 | 113.4 | V225 | V225-S228 PolarHBondContact N-OG 3.13Å; V225-S228 WeakPolarHBondContact O-CA 3.48Å; V225-S228 PolarHBondContact O-N 3.47Å; V225-S228 PolarHBondContact O-OG 2.87Å |
| 229 | Q | 93.1 | Very high | 92.2 | Very high | 94 Ų | 94 | 67.5 Ų | 67.5 | 44% | 0.439 | 41% | 0.412 | S | S | . | . | trans | -60 | 149.5 | 180 | -65.4 | -179.3 | 32.9 | 0 | 0 | 111.6 | A148 P149 G223 D226 | A148-Q229 WeakPolarHBondContact CB-O 3.42Å; P149-Q229 VanDerWaalsContact CD-O 3.28Å; P149-Q229 WeakPolarHBondContact CD-O 3.43Å; P149-Q229 HydrophobicContact CG-CB 3.82Å; G223-Q229 CarbonylContact O-C 3.57Å; G223-Q229 VanDerWaalsContact O-CA 3.27Å; G223-Q229 WeakPolarHBondContact O-CA 3.38Å; D226-Q229 PolarHBondContact O-NE2 2.92Å | ||
| 230 | F | 95.1 | Very high | 90.9 | Very high | 49 Ų | 49 | 77.2 Ų | 77.2 | 22% | 0.215 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.1 | 157 | 170.9 | 75 | -77.7 | 0 | 0 | 0 | 112 | R146 V147 A148 G222 G223 E232 | R146-F230 HydrophobicContact CG-CD2 4.35Å; V147-F230 CarbonylContact O-C 3.6Å; V147-F230 WeakPolarHBondContact O-CA 3.11Å; A148-F230 HydrophobicContact CB-CB 4.39Å; G222-F230 CarbonylContact C-O 3.47Å; G222-F230 WeakPolarHBondContact CA-O 3.33Å; G223-F230 PolarHBondContact N-O 2.86Å; G223-F230 VanDerWaalsContact O-CD1 3.28Å; G223-F230 WeakPolarHBondContact O-CD1 3.37Å; G223-F230 PolarHBondContact O-N 2.93Å; F230-E232 HydrophobicContact CD2-CB 4.17Å; F230-E232 HydrophobicContact CE2-CB 4.13Å |
| 231 | S | 96.8 | Very high | 89.1 | Confident | 47 Ų | 47 | 79.3 Ų | 79.3 | 33% | 0.329 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 136.5 | 166.4 | -54.2 | 0 | 0 | 0 | 0 | 108.4 | R146 V147 | R146-S231 CarbonylContact C-O 3.57Å; R146-S231 WeakPolarHBondContact CA-O 3.33Å; V147-S231 PolarHBondContact N-O 2.9Å; V147-S231 PolarHBondContact O-N 2.97Å |
| 232 | E | 97.9 | Very high | 86.8 | Confident | 49 Ų | 49 | 81.5 Ų | 81.5 | 23% | 0.229 | 45% | 0.445 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 130.3 | -179.1 | -171.5 | 170.7 | 131.7 | 0 | 0 | 109.5 | V144 V145 R146 S220 C221 F230 | V144-E232 HydrophobicContact CG1-CG 3.53Å; V145-E232 CarbonylContact O-C 3.51Å; V145-E232 WeakPolarHBondContact O-CA 3.43Å; R146-E232 HydrophobicContact CB-CG 4.36Å; R146-E232 IonicContact NH1-OE2 3.89Å; S220-E232 CarbonylContact C-O 3.57Å; S220-E232 WeakPolarHBondContact CA-O 3.2Å; C221-E232 PolarHBondContact N-O 2.81Å; C221-E232 PolarHBondContact O-N 2.85Å; F230-E232 HydrophobicContact CD2-CB 4.17Å; F230-E232 HydrophobicContact CE2-CB 4.13Å |
| 233 | Y | 98.3 | Very high | 84.5 | Confident | 60 Ų | 60 | 84.1 Ų | 84.1 | 24% | 0.235 | 46% | 0.455 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 124.9 | -177.6 | -53.9 | -82.7 | 0 | 0 | 0 | 108.1 | V144 V145 V147 L207 G219 L235 | V144-Y233 CarbonylContact C-O 3.56Å; V144-Y233 WeakPolarHBondContact CA-O 3.41Å; V145-Y233 PolarHBondContact N-O 3.22Å; V145-Y233 PolarHBondContact O-N 3.3Å; V147-Y233 HydrophobicContact CG2-CE2 4.44Å; L207-Y233 HydrophobicContact CD1-CD2 4.35Å; L207-Y233 HydrophobicContact CD1-CE2 4.2Å; L207-Y233 HydrophobicContact CD2-CD2 4.15Å; L207-Y233 HydrophobicContact CD2-CG 4.22Å; G219-Y233 WeakPolarHBondContact O-CA 3.36Å; Y233-L235 WeakPolarHBondContact O-CD1 3.07Å |
| 234 | V | 98.2 | Very high | 82.1 | Confident | 56 Ų | 56 | 90.7 Ų | 90.7 | 34% | 0.339 | 48% | 0.476 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 117.7 | 170.2 | -177.8 | 0 | 0 | 0 | 0 | 106.9 | V144 A218 G219 | V144-V234 HydrophobicContact CG2-CG2 4.31Å; A218-V234 PolarHBondContact N-O 2.88Å; G219-V234 PolarHBondContact N-O 2.85Å; G219-V234 PolarHBondContact O-N 2.91Å |
| 235 | L | 97.9 | Very high | 79.9 | Confident | 0 Ų | 0 | 99.9 Ų | 99.9 | 0% | 0 | 50% | 0.495 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 140.5 | 179.8 | -59.5 | 95.9 | 0 | 0 | 0 | 110.2 | C142 L143 V145 L207 L210 F215 E216 I217 Y233 | C142-L235 CarbonylContact C-O 3.56Å; C142-L235 VanDerWaalsContact CA-O 3.29Å; C142-L235 WeakPolarHBondContact CA-O 3.35Å; L143-L235 PolarHBondContact N-O 2.82Å; L143-L235 PolarHBondContact O-N 2.86Å; V145-L235 HydrophobicContact CB-CD1 4.04Å; V145-L235 HydrophobicContact CG2-CD1 3.5Å; L207-L235 HydrophobicContact CD2-CD1 4.29Å; L207-L235 HydrophobicContact CD2-CD2 4.17Å; L210-L235 HydrophobicContact CB-CD2 3.81Å; L210-L235 HydrophobicContact CD1-CD1 4.16Å; L210-L235 HydrophobicContact CD1-CD2 3.92Å; L210-L235 HydrophobicContact CG-CD2 4.45Å; F215-L235 HydrophobicContact CB-CB 4.09Å; F215-L235 HydrophobicContact CB-CD2 4.35Å; F215-L235 HydrophobicContact CD1-CB 4.16Å; E216-L235 CarbonylContact O-C 3.58Å; E216-L235 VanDerWaalsContact O-CA 3.23Å; E216-L235 WeakPolarHBondContact O-CA 3.34Å; I217-L235 HydrophobicContact CG1-CD2 4.11Å; I217-L235 HydrophobicContact CG1-CG 4.26Å; Y233-L235 WeakPolarHBondContact O-CD1 3.07Å |
| 236 | R | 95.7 | Very high | 77.4 | Confident | 85 Ų | 85 | 97 Ų | 97 | 32% | 0.321 | 49% | 0.487 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 140 | -177.5 | 177.9 | -177.1 | 158.6 | -163.1 | -9.4 | 110.9 | C140 E141 F215 E216 A218 E238 | C140-R236 HydrophobicContact CB-CG 3.81Å; C140-R236 PolarHBondContact SG-NE 2.95Å; E141-R236 CarbonylContact O-C 3.59Å; E141-R236 VanDerWaalsContact O-CA 3.27Å; E141-R236 WeakPolarHBondContact O-CA 3.28Å; F215-R236 WeakPolarHBondContact CA-O 3.1Å; E216-R236 PolarHBondContact N-O 2.81Å; E216-R236 PolarHBondContact O-N 3.3Å; A218-R236 HydrophobicContact CB-CB 4.11Å; R236-E238 IonicContact CZ-OE1 2.85Å; R236-E238 IonicContact NH2-OE1 2.66Å; R236-E238 PolarHBondContact NH2-OE1 3.45Å |
| 237 | R | 94.1 | Very high | 75.6 | Confident | 39 Ų | 39 | 96.2 Ų | 96.2 | 15% | 0.147 | 49% | 0.49 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 125.8 | 170.4 | 178.5 | 167.1 | 73.3 | -177 | 3.3 | 109.7 | C140 E141 L163 D166 R213 G214 F215 | C140-R237 VanDerWaalsContact CA-O 3.26Å; C140-R237 WeakPolarHBondContact CA-O 3.43Å; C140-R237 WeakPolarHBondContact CB-O 3.28Å; E141-R237 HydrophobicContact CB-CB 4.47Å; E141-R237 PolarHBondContact N-O 2.78Å; E141-R237 PolarHBondContact O-N 2.8Å; E141-R237 IonicContact OE1-NH2 3.43Å; E141-R237 IonicContact OE2-CZ 3.3Å; E141-R237 IonicContact OE2-NE 3.43Å; E141-R237 PolarHBondContact OE2-NE 2.79Å; E141-R237 IonicContact OE2-NH2 2.67Å; E141-R237 PolarHBondContact OE2-NH2 3.01Å; L163-R237 VanDerWaalsContact CD1-NH2 3.29Å; D166-R237 IonicContact OD2-NH2 3.59Å; R213-R237 WeakPolarHBondContact O-CD 3.11Å; R213-R237 PolarHBondContact O-NH1 2.87Å; G214-R237 WeakPolarHBondContact O-CG 3.27Å; F215-R237 HydrophobicContact CD1-CB 3.8Å; F215-R237 HydrophobicContact CD2-CB 4.26Å; F215-R237 HydrophobicContact CE1-CB 3.94Å; F215-R237 HydrophobicContact CE2-CB 4.38Å; F215-R237 HydrophobicContact CG-CB 3.98Å; F215-R237 HydrophobicContact CZ-CB 4.23Å |
| 238 | E | 88.3 | Confident | 73.8 | Confident | 97 Ų | 97 | 97.8 Ų | 97.8 | 45% | 0.453 | 49% | 0.489 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 127.1 | 171.5 | -67.9 | -159.7 | 155.1 | 0 | 0 | 110.1 | R138 R236 | R138-E238 WeakPolarHBondContact CD-OE1 3.49Å; R138-E238 IonicContact CZ-OE1 2.63Å; R138-E238 IonicContact NE-OE1 3.44Å; R138-E238 IonicContact NH1-OE1 3.35Å; R138-E238 PolarHBondContact NH1-OE1 3.41Å; R138-E238 IonicContact NH1-OE2 2.8Å; R138-E238 PolarHBondContact NH1-OE2 2.98Å; R138-E238 VanDerWaalsContact NH1-OE2 3.12Å; R236-E238 IonicContact CZ-OE1 2.85Å; R236-E238 IonicContact NH2-OE1 2.66Å; R236-E238 PolarHBondContact NH2-OE1 3.45Å |
| 239 | L | 81.9 | Confident | 71.5 | Confident | 75 Ų | 75 | 99.5 Ų | 99.5 | 39% | 0.393 | 50% | 0.501 | S | S | . | . | P | Polyproline II helix | trans | -78.6 | 125.2 | 172.9 | -71.7 | 169.9 | 0 | 0 | 0 | 108.9 | P139 E141 R241 | P139-L239 HydrophobicContact CB-CB 4.3Å; P139-L239 HydrophobicContact CB-CD1 4.17Å; P139-L239 HydrophobicContact CG-CB 4.27Å; P139-L239 PolarHBondContact O-N 3.26Å; E141-L239 HydrophobicContact CG-CD1 4Å; E141-L239 HydrophobicContact CG-CD2 4.31Å; E141-L239 HydrophobicContact CG-CG 4.16Å; L239-R241 PolarHBondContact O-N 2.92Å; L239-R241 VanDerWaalsContact O-N 3.17Å |
| 240 | R | 69.3 | Low | 68.9 | Low | 235 Ų | 235 | 102.1 Ų | 102.1 | 89% | 0.887 | 52% | 0.518 | S | S | * | . | P | Polyproline II helix | trans | -61.4 | 122.7 | 170.3 | -74.2 | -164.4 | 170.9 | -172.2 | -1.5 | 108.1 | T242 | R240-T242 PolarHBondContact O-N 3.08Š|
| 241 | R | 61.3 | Low | 66.4 | Low | 133 Ų | 133 | 110.7 Ų | 110.7 | 50% | 0.502 | 55% | 0.549 | S | S | . | . | trans | -59.1 | 105.5 | 165.2 | -75.3 | -175.8 | 171.7 | -163.6 | -8 | 106.9 | G134 S137 L239 S243 | G134-R241 VanDerWaalsContact CA-NH2 3.26Å; S137-R241 PolarHBondContact O-NH2 2.78Å; L239-R241 PolarHBondContact O-N 2.92Å; L239-R241 VanDerWaalsContact O-N 3.17Å; R241-S243 VanDerWaalsContact C-N 3.28Å; R241-S243 PolarHBondContact O-N 3.48Å | ||
| 242 | T | 48.8 | Very low | 63.9 | Low | 125 Ų | 125 | 115.9 Ų | 115.9 | 77% | 0.767 | 57% | 0.572 | S | S | * | * | trans | -63.9 | 97.8 | 164 | 45.1 | 0 | 0 | 0 | 0 | 106.5 | R240 Q244 | R240-T242 PolarHBondContact O-N 3.08Å; T242-Q244 PolarHBondContact O-N 2.66Å | ||
| 243 | S | 47.4 | Very low | 61.2 | Low | 105 Ų | 105 | 122.2 Ų | 122.2 | 73% | 0.734 | 60% | 0.598 | S | S | * | * | trans | -69.1 | 51.3 | 167.1 | -82.5 | 0 | 0 | 0 | 0 | 111 | R241 | R241-S243 VanDerWaalsContact C-N 3.28Å; R241-S243 PolarHBondContact O-N 3.48Å | ||
| 244 | Q | 42.1 | Very low | 58.4 | Low | 175 Ų | 175 | 128.3 Ų | 128.3 | 82% | 0.818 | 63% | 0.629 | S | S | * | * | trans | -124.4 | 75.3 | 162.9 | -74.7 | -165.9 | 2.2 | 0 | 0 | 107.8 | T242 G246 | T242-Q244 PolarHBondContact O-N 2.66Å; Q244-G246 PolarHBondContact O-N 3.4Å | ||
| 245 | R | 44.3 | Very low | 55.4 | Low | 243 Ų | 243 | 134.1 Ų | 134.1 | 92% | 0.917 | 65% | 0.653 | S | S | * | * | trans | -70 | 89.6 | 142.8 | -84.5 | -174.2 | 174.9 | 171 | 0.5 | 106 | ||||
| 246 | G | 33.3 | Very low | 52.6 | Low | 47 Ų | 47 | 143.3 Ų | 143.3 | 49% | 0.485 | 70% | 0.695 | S | S | . | * | trans | -53.4 | 157.5 | 161.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | Q244 N248 | Q244-G246 PolarHBondContact O-N 3.4Å; G246-N248 PolarHBondContact O-N 2.85Å | ||
| 247 | P | 38.7 | Very low | 50.1 | Low | 128 Ų | 128 | 147.5 Ų | 147.5 | 83% | 0.831 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -76.7 | 71.3 | -175.3 | 34.3 | -33.7 | 0 | 0 | 0 | 109.1 | ||
| 248 | N | 41.7 | Very low | 47.9 | Very low | 148 Ų | 148 | 157 Ų | 157 | 79% | 0.791 | 78% | 0.777 | S | S | * | * | trans | -153.5 | 78.5 | 172.4 | -89.5 | -29.6 | 0 | 0 | 0 | 110.3 | G246 | G246-N248 PolarHBondContact O-N 2.85Š| ||
| 249 | S | 37.6 | Very low | 45.9 | Very low | 99 Ų | 99 | 160.1 Ų | 160.1 | 69% | 0.692 | 79% | 0.794 | S | S | * | * | trans | -148.7 | 94.7 | 142.2 | 33.6 | 0 | 0 | 0 | 0 | 105.8 | R251 | S249-R251 VanDerWaalsContact C-N 3.28Å; S249-R251 PolarHBondContact O-N 3.03Å | ||
| 250 | N | 37.4 | Very low | 44 | Very low | 150 Ų | 150 | 164.5 Ų | 164.5 | 80% | 0.802 | 82% | 0.815 | S | S | * | * | trans | -56.7 | 101.8 | 163.3 | -76.3 | -34.6 | 0 | 0 | 0 | 106.4 | I252 | N250-I252 VanDerWaalsContact C-N 3.25Å; N250-I252 PolarHBondContact O-N 3.04Å | ||
| 251 | R | 43.5 | Very low | 42.6 | Very low | 228 Ų | 228 | 160.6 Ų | 160.6 | 86% | 0.86 | 81% | 0.811 | S | S | * | * | trans | -66.5 | 91.4 | 169 | -104.3 | 178.2 | 157.3 | 179.1 | -5.8 | 106.5 | S249 K253 | S249-R251 VanDerWaalsContact C-N 3.28Å; S249-R251 PolarHBondContact O-N 3.03Å; R251-K253 VanDerWaalsContact C-N 3.29Å; R251-K253 PolarHBondContact O-N 2.75Å | ||
| 252 | I | 43.8 | Very low | 41.5 | Very low | 156 Ų | 156 | 162.2 Ų | 162.2 | 80% | 0.8 | 83% | 0.829 | S | S | * | * | trans | -69.9 | 96.4 | 164.1 | -57.3 | 174.6 | 0 | 0 | 0 | 104.9 | N250 Q254 | N250-I252 VanDerWaalsContact C-N 3.25Å; N250-I252 PolarHBondContact O-N 3.04Å; I252-Q254 PolarHBondContact O-N 2.75Å | ||
| 253 | K | 41.6 | Very low | 41.1 | Very low | 182 Ų | 182 | 164.6 Ų | 164.6 | 79% | 0.791 | 83% | 0.833 | S | S | * | * | trans | -67.9 | 113 | 163.4 | -80.1 | -174 | 175.4 | -175.9 | 0 | 105.9 | R251 E255 | R251-K253 VanDerWaalsContact C-N 3.29Å; R251-K253 PolarHBondContact O-N 2.75Å; K253-E255 PolarHBondContact O-N 2.83Å | ||
| 254 | Q | 39.1 | Very low | 40.6 | Very low | 188 Ų | 188 | 168.5 Ų | 168.5 | 88% | 0.879 | 84% | 0.839 | S | S | * | * | trans | -67.3 | 110.6 | 169 | -160.6 | 166.7 | 14.7 | 0 | 0 | 106.7 | I252 | I252-Q254 PolarHBondContact O-N 2.75Š| ||
| 255 | E | 36.3 | Very low | 40.5 | Very low | 179 Ų | 179 | 168.1 Ų | 168.1 | 84% | 0.836 | 84% | 0.841 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 134.4 | 168.6 | -80.3 | 177.4 | 149.7 | 0 | 0 | 108.6 | K253 L257 | K253-E255 PolarHBondContact O-N 2.83Å; E255-L257 PolarHBondContact O-N 3.07Å |
| 256 | Q | 38.4 | Very low | 40.2 | Very low | 192 Ų | 192 | 162.3 Ų | 162.3 | 90% | 0.897 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 121.6 | 166.8 | -76.1 | -175.6 | -64.8 | 0 | 0 | 107.3 | ||
| 257 | L | 42.3 | Very low | 40.8 | Very low | 174 Ų | 174 | 171.9 Ų | 171.9 | 91% | 0.911 | 86% | 0.864 | S | S | * | * | P | Polyproline II helix | trans | -70 | 129.2 | 165 | -79.5 | 146.7 | 0 | 0 | 0 | 107.8 | E255 | E255-L257 PolarHBondContact O-N 3.07Š|
| 258 | D | 49.3 | Very low | 41 | Very low | 239 Ų | 239 | 175.9 Ų | 175.9 | 100% | 1.278 | 87% | 0.867 | S | S | * | * | trans | -53.3 | 0 | 171.4 | -69.3 | -40.7 | 0 | 0 | 0 | 112.8 |
Retrieved 258 of 258 residues in 427.5 ms
(Link to these results)