| 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 | 40.3 | Very low | 50.4 | Low | 234 Ų | 234 | 144.1 Ų | 144.1 | 100% | 1.153 | 74% | 0.744 | S | S | * | * | 0 | 75.8 | 0 | -158.3 | 173.3 | -160.1 | 0 | 0 | 109.4 | |||||
| 2 | R | 49.5 | Very low | 50.7 | Low | 225 Ų | 225 | 141.4 Ų | 141.4 | 85% | 0.849 | 73% | 0.731 | S | S | * | * | trans | -101 | 74.3 | -178.7 | -68.5 | -178.6 | -175.1 | 173.6 | 2 | 108.9 | ||||
| 3 | V | 58.1 | Low | 51.3 | Low | 129 Ų | 129 | 141.7 Ų | 141.7 | 78% | 0.782 | 72% | 0.718 | S | S | * | * | trans | -122.6 | 55 | 176.6 | -170.7 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 4 | S | 60.1 | Low | 52.4 | Low | 109 Ų | 109 | 134.7 Ų | 134.7 | 76% | 0.762 | 69% | 0.689 | S | S | * | * | trans | -155.7 | 22.9 | 172.7 | 44.1 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 5 | R | 50.7 | Low | 53.8 | Low | 224 Ų | 224 | 126.4 Ų | 126.4 | 85% | 0.845 | 65% | 0.648 | S | S | * | * | trans | -103.6 | 5.3 | 173 | -61.1 | -174.4 | 73.2 | 98.8 | -1.3 | 113.8 | ||||
| 6 | S | 46.4 | Very low | 55.4 | Low | 93 Ų | 93 | 120.6 Ų | 120.6 | 65% | 0.65 | 62% | 0.623 | S | S | * | * | trans | -113.4 | 110.4 | 165 | 53.7 | 0 | 0 | 0 | 0 | 104.9 | ||||
| 7 | V | 52.3 | Low | 57.1 | Low | 108 Ų | 108 | 117.6 Ų | 117.6 | 66% | 0.655 | 61% | 0.611 | S | S | * | * | cis | -151.4 | 129 | 48.6 | 172.3 | 0 | 0 | 0 | 0 | 107.6 | N9 | V7-N9 HydrophobicContact CG1-CB 3.85Å; V7-N9 VanDerWaalsContact CG1-CG 3.5Å; V7-N9 WeakPolarHBondContact CG1-ND2 3.5Å; V7-N9 PolarHBondContact O-N 2.76Å | ||
| 8 | Q | 47.1 | Very low | 58.6 | Low | 189 Ų | 189 | 115.3 Ų | 115.3 | 88% | 0.883 | 60% | 0.603 | S | S | * | * | trans | -69.9 | 49.9 | 172 | -171.5 | 157.6 | -57.9 | 0 | 0 | 111.7 | ||||
| 9 | N | 46.5 | Very low | 59.9 | Low | 98 Ų | 98 | 110.2 Ų | 110.2 | 52% | 0.524 | 58% | 0.577 | S | S | . | * | trans | -117.7 | 72.9 | 167.6 | -65.5 | -13.4 | 0 | 0 | 0 | 105.7 | V7 E11 L12 | V7-N9 HydrophobicContact CG1-CB 3.85Å; V7-N9 VanDerWaalsContact CG1-CG 3.5Å; V7-N9 WeakPolarHBondContact CG1-ND2 3.5Å; V7-N9 PolarHBondContact O-N 2.76Å; N9-E11 PolarHBondContact O-N 3.29Å; N9-L12 HydrophobicContact CB-CD1 3.96Å; N9-L12 HydrophobicContact CB-CG 4.3Å; N9-L12 PolarHBondContact O-N 3.07Å | ||
| 10 | S | 51.5 | Low | 61.1 | Low | 110 Ų | 110 | 109.7 Ų | 109.7 | 77% | 0.769 | 58% | 0.578 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.3 | 6.5 | -175.9 | 43.9 | 0 | 0 | 0 | 0 | 115.8 | ||
| 11 | E | 51.8 | Low | 62.3 | Low | 66 Ų | 66 | 107.3 Ų | 107.3 | 31% | 0.308 | 57% | 0.57 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -124.2 | -0.9 | -167.7 | -59.9 | -66 | 136.2 | 0 | 0 | 113.2 | N9 Y77 I80 S81 | N9-E11 PolarHBondContact O-N 3.29Å; E11-Y77 WeakPolarHBondContact O-CE2 3.37Å; E11-Y77 PolarHBondContact O-OH 3.03Å; E11-I80 VanDerWaalsContact CD-CG2 3.42Å; E11-I80 WeakPolarHBondContact OE1-CG2 3.4Å; E11-I80 VanDerWaalsContact OE2-C 3.24Å; E11-I80 WeakPolarHBondContact OE2-CB 3.41Å; E11-I80 WeakPolarHBondContact OE2-CG2 3.44Å; E11-S81 PolarHBondContact OE2-N 2.85Å |
| 12 | L | 54.1 | Low | 64.5 | Low | 112 Ų | 112 | 98.2 Ų | 98.2 | 59% | 0.586 | 53% | 0.529 | S | S | * | . | trans | -111.2 | 1.8 | -167.4 | -62.4 | -179.6 | 0 | 0 | 0 | 116.5 | N9 S14 Y77 | N9-L12 HydrophobicContact CB-CD1 3.96Å; N9-L12 HydrophobicContact CB-CG 4.3Å; N9-L12 PolarHBondContact O-N 3.07Å; L12-S14 PolarHBondContact O-N 3.13Å; L12-Y77 WeakPolarHBondContact CD2-OH 3.33Å | ||
| 13 | Y | 59.1 | Low | 66.3 | Low | 145 Ų | 145 | 90.9 Ų | 90.9 | 57% | 0.569 | 51% | 0.505 | S | S | * | . | S | Bend | trans | -76 | 98.1 | 168.5 | -162.7 | -87.6 | 0 | 0 | 0 | 108 | A15 T17 V18 | Y13-A15 PolarHBondContact O-N 2.97Å; Y13-A15 VanDerWaalsContact O-N 3.14Å; Y13-T17 HydrophobicContact CE1-CG2 4.24Å; Y13-T17 HydrophobicContact CE2-CG2 4.35Å; Y13-V18 HydrophobicContact CD1-CG2 3.45Å; Y13-V18 VanDerWaalsContact CD1-CG2 3.45Å; Y13-V18 HydrophobicContact CE1-CB 4.03Å; Y13-V18 HydrophobicContact CE1-CG2 3.17Å |
| 14 | S | 66.5 | Low | 67.9 | Low | 44 Ų | 44 | 90.8 Ų | 90.8 | 31% | 0.308 | 49% | 0.494 | S | S | . | . | trans | -54.3 | 121.5 | -179.2 | -173.4 | 0 | 0 | 0 | 0 | 109 | L12 S16 T17 V18 | L12-S14 PolarHBondContact O-N 3.13Å; S14-S16 PolarHBondContact O-N 3.41Å; S14-T17 WeakPolarHBondContact O-CA 3.46Å; S14-T17 VanDerWaalsContact O-CB 3.31Å; S14-T17 WeakPolarHBondContact O-CB 3.44Å; S14-T17 PolarHBondContact O-N 3.4Å; S14-V18 PolarHBondContact O-N 3.2Å | ||
| 15 | A | 72.8 | Confident | 69.4 | Low | 10 Ų | 10 | 90.6 Ų | 90.6 | 8% | 0.083 | 48% | 0.484 | C | S | . | . | H | α-helix | trans | -56.9 | -28 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y13 T17 V18 V19 N73 | Y13-A15 PolarHBondContact O-N 2.97Å; Y13-A15 VanDerWaalsContact O-N 3.14Å; A15-T17 VanDerWaalsContact C-N 3.34Å; A15-T17 PolarHBondContact O-N 2.99Å; A15-V18 PolarHBondContact O-N 3.47Å; A15-V19 WeakPolarHBondContact O-CG2 3.29Å; A15-V19 PolarHBondContact O-N 3.06Å; A15-V19 VanDerWaalsContact O-N 3.16Å; A15-N73 HydrophobicContact CB-CB 3.55Å; A15-N73 VanDerWaalsContact CB-O 3.26Å; A15-N73 WeakPolarHBondContact CB-O 3.42Å |
| 16 | S | 79 | Confident | 71.2 | Confident | 34 Ų | 34 | 85.3 Ų | 85.3 | 24% | 0.238 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -59.9 | -37.4 | 170.5 | -59 | 0 | 0 | 0 | 0 | 113.2 | S14 V19 V20 N74 | S14-S16 PolarHBondContact O-N 3.41Å; S16-V19 PolarHBondContact O-N 3.43Å; S16-V20 WeakPolarHBondContact O-CB 3.48Å; S16-V20 VanDerWaalsContact O-CG2 3.28Å; S16-V20 WeakPolarHBondContact O-CG2 3.48Å; S16-V20 PolarHBondContact O-N 3.36Å; S16-N74 PolarHBondContact OG-ND2 3.17Å; S16-N74 VanDerWaalsContact OG-ND2 3.1Å; S16-N74 PolarHBondContact OG-OD1 2.92Å |
| 17 | T | 84.8 | Confident | 73.2 | Confident | 70 Ų | 70 | 86 Ų | 86 | 43% | 0.429 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -65.6 | -40.9 | 176.3 | -51.9 | 0 | 0 | 0 | 0 | 111.6 | Y13 S14 A15 V19 V20 C21 | Y13-T17 HydrophobicContact CE1-CG2 4.24Å; Y13-T17 HydrophobicContact CE2-CG2 4.35Å; S14-T17 WeakPolarHBondContact O-CA 3.46Å; S14-T17 VanDerWaalsContact O-CB 3.31Å; S14-T17 WeakPolarHBondContact O-CB 3.44Å; S14-T17 PolarHBondContact O-N 3.4Å; A15-T17 VanDerWaalsContact C-N 3.34Å; A15-T17 PolarHBondContact O-N 2.99Å; T17-V19 VanDerWaalsContact C-N 3.29Å; T17-V19 PolarHBondContact O-N 2.95Å; T17-V20 PolarHBondContact O-N 3.28Å; T17-C21 VanDerWaalsContact O-CB 3.22Å; T17-C21 WeakPolarHBondContact O-CB 3.2Å; T17-C21 PolarHBondContact O-N 3.14Å |
| 18 | V | 83.6 | Confident | 75.1 | Confident | 75 Ų | 75 | 84.6 Ų | 84.6 | 46% | 0.455 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -58.3 | -48.7 | 174.9 | -171.4 | 0 | 0 | 0 | 0 | 108.9 | Y13 S14 A15 C21 S22 | Y13-V18 HydrophobicContact CD1-CG2 3.45Å; Y13-V18 VanDerWaalsContact CD1-CG2 3.45Å; Y13-V18 HydrophobicContact CE1-CB 4.03Å; Y13-V18 HydrophobicContact CE1-CG2 3.17Å; S14-V18 PolarHBondContact O-N 3.2Å; A15-V18 PolarHBondContact O-N 3.47Å; V18-C21 PolarHBondContact O-N 3.12Å; V18-S22 WeakPolarHBondContact O-CB 3.37Å; V18-S22 PolarHBondContact O-N 3.34Å |
| 19 | V | 83.7 | Confident | 77.2 | Confident | 18 Ų | 18 | 80.6 Ų | 80.6 | 11% | 0.109 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -64.1 | -48 | -176 | 179 | 0 | 0 | 0 | 0 | 110.5 | A15 S16 T17 C21 S22 E23 I70 N73 | A15-V19 WeakPolarHBondContact O-CG2 3.29Å; A15-V19 PolarHBondContact O-N 3.06Å; A15-V19 VanDerWaalsContact O-N 3.16Å; S16-V19 PolarHBondContact O-N 3.43Å; T17-V19 VanDerWaalsContact C-N 3.29Å; T17-V19 PolarHBondContact O-N 2.95Å; V19-C21 VanDerWaalsContact C-N 3.32Å; V19-C21 PolarHBondContact O-N 3.17Å; V19-S22 CarbonylContact O-C 3.57Å; V19-S22 WeakPolarHBondContact O-CA 3.38Å; V19-S22 WeakPolarHBondContact O-CB 3.4Å; V19-S22 PolarHBondContact O-N 2.93Å; V19-S22 PolarHBondContact O-OG 3.37Å; V19-E23 HydrophobicContact CG1-CG 4.39Å; V19-E23 WeakPolarHBondContact O-CG 3.42Å; V19-E23 PolarHBondContact O-N 2.81Å; V19-I70 HydrophobicContact CG1-CD1 4.39Å; V19-I70 HydrophobicContact CG1-CG1 3.75Å; V19-N73 HydrophobicContact CG2-CB 4.35Å; V19-N73 WeakPolarHBondContact CG2-ND2 3.48Å |
| 20 | V | 84.2 | Confident | 79.2 | Confident | 100 Ų | 100 | 78.3 Ų | 78.3 | 61% | 0.606 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -61.1 | -41.6 | 177.4 | 172.9 | 0 | 0 | 0 | 0 | 111.5 | S16 T17 S22 E23 F24 | S16-V20 WeakPolarHBondContact O-CB 3.48Å; S16-V20 VanDerWaalsContact O-CG2 3.28Å; S16-V20 WeakPolarHBondContact O-CG2 3.48Å; S16-V20 PolarHBondContact O-N 3.36Å; T17-V20 PolarHBondContact O-N 3.28Å; V20-S22 VanDerWaalsContact C-N 3.3Å; V20-S22 PolarHBondContact O-N 3.38Å; V20-E23 PolarHBondContact O-N 3.1Å; V20-F24 WeakPolarHBondContact O-CB 3.3Å; V20-F24 PolarHBondContact O-N 2.97Å |
| 21 | C | 87.1 | Confident | 80.8 | Confident | 61 Ų | 61 | 77.3 Ų | 77.3 | 41% | 0.412 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -61.5 | -41 | 174.3 | -171.1 | 0 | 0 | 0 | 0 | 111.2 | T17 V18 V19 F24 L25 | T17-C21 VanDerWaalsContact O-CB 3.22Å; T17-C21 WeakPolarHBondContact O-CB 3.2Å; T17-C21 PolarHBondContact O-N 3.14Å; V18-C21 PolarHBondContact O-N 3.12Å; V19-C21 VanDerWaalsContact C-N 3.32Å; V19-C21 PolarHBondContact O-N 3.17Å; C21-F24 PolarHBondContact O-N 3.46Å; C21-L25 WeakPolarHBondContact O-CG 3.39Å; C21-L25 PolarHBondContact O-N 2.99Å |
| 22 | S | 86.6 | Confident | 82.6 | Confident | 42 Ų | 42 | 78.2 Ų | 78.2 | 29% | 0.294 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -65.7 | -39 | 176.2 | 82.7 | 0 | 0 | 0 | 0 | 112.6 | V18 V19 V20 L25 K26 | V18-S22 WeakPolarHBondContact O-CB 3.37Å; V18-S22 PolarHBondContact O-N 3.34Å; V19-S22 CarbonylContact O-C 3.57Å; V19-S22 WeakPolarHBondContact O-CA 3.38Å; V19-S22 WeakPolarHBondContact O-CB 3.4Å; V19-S22 PolarHBondContact O-N 2.93Å; V19-S22 PolarHBondContact O-OG 3.37Å; V20-S22 VanDerWaalsContact C-N 3.3Å; V20-S22 PolarHBondContact O-N 3.38Å; S22-L25 PolarHBondContact O-N 3.4Å; S22-K26 VanDerWaalsContact O-CG 3.27Å; S22-K26 WeakPolarHBondContact O-CG 3.48Å; S22-K26 PolarHBondContact O-N 3.36Å |
| 23 | E | 86.9 | Confident | 84.2 | Confident | 72 Ų | 72 | 77.8 Ų | 77.8 | 34% | 0.336 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -66.4 | -41.9 | 175.2 | -69.2 | -53.1 | 132.3 | 0 | 0 | 111 | V19 V20 L25 K26 L27 | V19-E23 HydrophobicContact CG1-CG 4.39Å; V19-E23 WeakPolarHBondContact O-CG 3.42Å; V19-E23 PolarHBondContact O-N 2.81Å; V20-E23 PolarHBondContact O-N 3.1Å; E23-L25 PolarHBondContact O-N 2.87Å; E23-K26 PolarHBondContact O-N 2.92Å; E23-K26 IonicContact OE1-NZ 2.71Å; E23-K26 PolarHBondContact OE1-NZ 3.35Å; E23-L27 WeakPolarHBondContact O-CG 3.45Å; E23-L27 PolarHBondContact O-N 3.41Å |
| 24 | F | 90.9 | Very high | 85.5 | Confident | 126 Ų | 126 | 72.7 Ų | 72.7 | 55% | 0.553 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -62.2 | -42.5 | 175.9 | -171.7 | -103.2 | 0 | 0 | 0 | 112.3 | V20 C21 L27 L28 | V20-F24 WeakPolarHBondContact O-CB 3.3Å; V20-F24 PolarHBondContact O-N 2.97Å; C21-F24 PolarHBondContact O-N 3.46Å; F24-L27 PolarHBondContact O-N 2.88Å; F24-L28 HydrophobicContact CD1-CD1 3.81Å; F24-L28 HydrophobicContact CD1-CG 4.37Å; F24-L28 HydrophobicContact CE1-CD1 3.39Å; F24-L28 HydrophobicContact CE1-CG 4.04Å; F24-L28 HydrophobicContact CZ-CD1 4.05Å; F24-L28 HydrophobicContact CZ-CG 4.29Å; F24-L28 WeakPolarHBondContact O-CG 3.22Å; F24-L28 PolarHBondContact O-N 3.37Å |
| 25 | L | 91 | Very high | 86.3 | Confident | 106 Ų | 106 | 75.9 Ų | 75.9 | 56% | 0.555 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -63.9 | -41.3 | 175.2 | -74.5 | 171.8 | 0 | 0 | 0 | 112.3 | C21 S22 E23 L28 L29 | C21-L25 WeakPolarHBondContact O-CG 3.39Å; C21-L25 PolarHBondContact O-N 2.99Å; S22-L25 PolarHBondContact O-N 3.4Å; E23-L25 PolarHBondContact O-N 2.87Å; L25-L28 PolarHBondContact O-N 2.92Å; L25-L29 WeakPolarHBondContact O-CB 3.29Å; L25-L29 PolarHBondContact O-N 3.24Å |
| 26 | K | 89.2 | Confident | 86.9 | Confident | 112 Ų | 112 | 84.4 Ų | 84.4 | 49% | 0.487 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -61.6 | -43.8 | 174.9 | -71.5 | 170.6 | -161.2 | 169.3 | 0 | 111.4 | S22 E23 L29 S30 | S22-K26 VanDerWaalsContact O-CG 3.27Å; S22-K26 WeakPolarHBondContact O-CG 3.48Å; S22-K26 PolarHBondContact O-N 3.36Å; E23-K26 PolarHBondContact O-N 2.92Å; E23-K26 IonicContact OE1-NZ 2.71Å; E23-K26 PolarHBondContact OE1-NZ 3.35Å; K26-L29 PolarHBondContact O-N 2.88Å; K26-S30 WeakPolarHBondContact O-CB 3.22Å; K26-S30 PolarHBondContact O-N 3.48Å; K26-S30 PolarHBondContact O-OG 2.96Å |
| 27 | L | 88.5 | Confident | 87 | Confident | 107 Ų | 107 | 90.4 Ų | 90.4 | 56% | 0.56 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -63.9 | -42.3 | 178 | -73.2 | 174.8 | 0 | 0 | 0 | 112.2 | E23 F24 S30 T31 | E23-L27 WeakPolarHBondContact O-CG 3.45Å; E23-L27 PolarHBondContact O-N 3.41Å; F24-L27 PolarHBondContact O-N 2.88Å; L27-S30 PolarHBondContact O-OG 2.7Å; L27-S30 VanDerWaalsContact O-OG 3.1Å; L27-T31 VanDerWaalsContact O-CB 3.29Å; L27-T31 WeakPolarHBondContact O-CB 3.11Å; L27-T31 PolarHBondContact O-N 2.86Å; L27-T31 PolarHBondContact O-OG1 3.49Å |
| 28 | L | 92.3 | Very high | 86.6 | Confident | 79 Ų | 79 | 90.1 Ų | 90.1 | 41% | 0.414 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -62.4 | -48.2 | 174.2 | -78.2 | 177 | 0 | 0 | 0 | 111.2 | F24 L25 T31 I32 | F24-L28 HydrophobicContact CD1-CD1 3.81Å; F24-L28 HydrophobicContact CD1-CG 4.37Å; F24-L28 HydrophobicContact CE1-CD1 3.39Å; F24-L28 HydrophobicContact CE1-CG 4.04Å; F24-L28 HydrophobicContact CZ-CD1 4.05Å; F24-L28 HydrophobicContact CZ-CG 4.29Å; F24-L28 WeakPolarHBondContact O-CG 3.22Å; F24-L28 PolarHBondContact O-N 3.37Å; L25-L28 PolarHBondContact O-N 2.92Å; L28-T31 PolarHBondContact O-N 3.02Å; L28-I32 WeakPolarHBondContact O-CB 3.07Å; L28-I32 WeakPolarHBondContact O-CD1 3.26Å; L28-I32 WeakPolarHBondContact O-CG1 3.5Å; L28-I32 PolarHBondContact O-N 2.88Å |
| 29 | L | 91.8 | Very high | 86 | Confident | 105 Ų | 105 | 89.3 Ų | 89.3 | 55% | 0.55 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -63.7 | -44.1 | -178.6 | -175.2 | 64.1 | 0 | 0 | 0 | 111.9 | L25 K26 I32 L33 | L25-L29 WeakPolarHBondContact O-CB 3.29Å; L25-L29 PolarHBondContact O-N 3.24Å; K26-L29 PolarHBondContact O-N 2.88Å; L29-I32 PolarHBondContact O-N 3.02Å; L29-L33 HydrophobicContact CD1-CD1 4.45Å; L29-L33 HydrophobicContact CD1-CG 4.42Å; L29-L33 HydrophobicContact CG-CD1 4.08Å; L29-L33 HydrophobicContact CG-CG 4.47Å; L29-L33 WeakPolarHBondContact O-CB 3.42Å; L29-L33 VanDerWaalsContact O-CG 3.3Å; L29-L33 WeakPolarHBondContact O-CG 3.31Å; L29-L33 PolarHBondContact O-N 3.17Å |
| 30 | S | 87.5 | Confident | 85.6 | Confident | 50 Ų | 50 | 93.3 Ų | 93.3 | 35% | 0.35 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -64.8 | -40.7 | 177.7 | 66.5 | 0 | 0 | 0 | 0 | 111.5 | K26 L27 L33 I34 | K26-S30 WeakPolarHBondContact O-CB 3.22Å; K26-S30 PolarHBondContact O-N 3.48Å; K26-S30 PolarHBondContact O-OG 2.96Å; L27-S30 PolarHBondContact O-OG 2.7Å; L27-S30 VanDerWaalsContact O-OG 3.1Å; S30-L33 PolarHBondContact O-N 3.1Å; S30-I34 WeakPolarHBondContact O-CB 3.49Å; S30-I34 WeakPolarHBondContact O-CG1 3.27Å; S30-I34 PolarHBondContact O-N 2.86Å |
| 31 | T | 86.3 | Confident | 85.1 | Confident | 89 Ų | 89 | 93.7 Ų | 93.7 | 55% | 0.546 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -61.7 | -45.9 | 175.4 | -57.6 | 0 | 0 | 0 | 0 | 111.3 | L27 L28 F35 | L27-T31 VanDerWaalsContact O-CB 3.29Å; L27-T31 WeakPolarHBondContact O-CB 3.11Å; L27-T31 PolarHBondContact O-N 2.86Å; L27-T31 PolarHBondContact O-OG1 3.49Å; L28-T31 PolarHBondContact O-N 3.02Å; T31-F35 WeakPolarHBondContact O-CB 3.45Å; T31-F35 PolarHBondContact O-N 3.27Å |
| 32 | I | 89.5 | Confident | 84.4 | Confident | 85 Ų | 85 | 99.5 Ų | 99.5 | 44% | 0.436 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.5 | -47.9 | 177.5 | -69.9 | 165.6 | 0 | 0 | 0 | 110.7 | L28 L29 I34 F35 Y36 | L28-I32 WeakPolarHBondContact O-CB 3.07Å; L28-I32 WeakPolarHBondContact O-CD1 3.26Å; L28-I32 WeakPolarHBondContact O-CG1 3.5Å; L28-I32 PolarHBondContact O-N 2.88Å; L29-I32 PolarHBondContact O-N 3.02Å; I32-I34 PolarHBondContact O-N 3.42Å; I32-F35 WeakPolarHBondContact O-CB 3.34Å; I32-F35 PolarHBondContact O-N 3Å; I32-Y36 HydrophobicContact CG2-CD2 3.58Å; I32-Y36 HydrophobicContact CG2-CE2 3.57Å; I32-Y36 VanDerWaalsContact O-CD2 3.29Å; I32-Y36 WeakPolarHBondContact O-CD2 3.4Å; I32-Y36 PolarHBondContact O-N 3.45Å |
| 33 | L | 87.4 | Confident | 83.8 | Confident | 104 Ų | 104 | 104.4 Ų | 104.4 | 55% | 0.545 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -59.4 | -44.1 | 179.6 | -77.3 | 172.7 | 0 | 0 | 0 | 112.2 | L29 S30 F35 Y36 Q37 | L29-L33 HydrophobicContact CD1-CD1 4.45Å; L29-L33 HydrophobicContact CD1-CG 4.42Å; L29-L33 HydrophobicContact CG-CD1 4.08Å; L29-L33 HydrophobicContact CG-CG 4.47Å; L29-L33 WeakPolarHBondContact O-CB 3.42Å; L29-L33 VanDerWaalsContact O-CG 3.3Å; L29-L33 WeakPolarHBondContact O-CG 3.31Å; L29-L33 PolarHBondContact O-N 3.17Å; S30-L33 PolarHBondContact O-N 3.1Å; L33-F35 VanDerWaalsContact C-N 3.32Å; L33-F35 PolarHBondContact O-N 3.46Å; L33-Y36 PolarHBondContact O-N 2.96Å; L33-Q37 WeakPolarHBondContact O-CB 3.43Å; L33-Q37 PolarHBondContact O-N 3.34Å |
| 34 | I | 85.1 | Confident | 83 | Confident | 38 Ų | 38 | 101.4 Ų | 101.4 | 20% | 0.195 | 50% | 0.499 | C | S | . | . | H | α-helix | trans | -66.6 | -36.4 | 178.5 | -65.6 | 169 | 0 | 0 | 0 | 111.1 | S30 I32 Q37 E38 S44 I48 | S30-I34 WeakPolarHBondContact O-CB 3.49Å; S30-I34 WeakPolarHBondContact O-CG1 3.27Å; S30-I34 PolarHBondContact O-N 2.86Å; I32-I34 PolarHBondContact O-N 3.42Å; I34-Q37 PolarHBondContact O-N 2.9Å; I34-E38 PolarHBondContact O-N 3.37Å; I34-E38 VanDerWaalsContact O-N 3.14Å; I34-S44 PolarHBondContact O-OG 3.06Å; I34-I48 HydrophobicContact CD1-CD1 3.84Å; I34-I48 HydrophobicContact CD1-CG1 3.61Å; I34-I48 HydrophobicContact CG2-CD1 4.09Å; I34-I48 HydrophobicContact CG2-CG1 4.26Å |
| 35 | F | 83.7 | Confident | 82.2 | Confident | 110 Ų | 110 | 100.4 Ų | 100.4 | 48% | 0.482 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.9 | -41.1 | 174.7 | -174.2 | -97 | 0 | 0 | 0 | 111.9 | T31 I32 L33 G39 I41 | T31-F35 WeakPolarHBondContact O-CB 3.45Å; T31-F35 PolarHBondContact O-N 3.27Å; I32-F35 WeakPolarHBondContact O-CB 3.34Å; I32-F35 PolarHBondContact O-N 3Å; L33-F35 VanDerWaalsContact C-N 3.32Å; L33-F35 PolarHBondContact O-N 3.46Å; F35-G39 WeakPolarHBondContact O-CA 3.36Å; F35-G39 PolarHBondContact O-N 3.29Å; F35-G39 VanDerWaalsContact O-N 3.13Å; F35-I41 HydrophobicContact CD2-CG1 4.07Å; F35-I41 HydrophobicContact CE2-CD1 4.16Å; F35-I41 HydrophobicContact CE2-CG1 3.63Å |
| 36 | Y | 85.7 | Confident | 81.4 | Confident | 189 Ų | 189 | 98.3 Ų | 98.3 | 74% | 0.741 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -67.1 | -35.7 | 174.5 | -88.2 | -74 | 0 | 0 | 0 | 113.2 | I32 L33 | I32-Y36 HydrophobicContact CG2-CD2 3.58Å; I32-Y36 HydrophobicContact CG2-CE2 3.57Å; I32-Y36 VanDerWaalsContact O-CD2 3.29Å; I32-Y36 WeakPolarHBondContact O-CD2 3.4Å; I32-Y36 PolarHBondContact O-N 3.45Å; L33-Y36 PolarHBondContact O-N 2.96Å |
| 37 | Q | 82.4 | Confident | 80.7 | Confident | 160 Ų | 160 | 95.1 Ų | 95.1 | 75% | 0.748 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -75.2 | -43.1 | -175.6 | -171.9 | 169.4 | 20.8 | 0 | 0 | 113 | L33 I34 | L33-Q37 WeakPolarHBondContact O-CB 3.43Å; L33-Q37 PolarHBondContact O-N 3.34Å; I34-Q37 PolarHBondContact O-N 2.9Å |
| 38 | E | 74.6 | Confident | 79.9 | Confident | 65 Ų | 65 | 92.9 Ų | 92.9 | 30% | 0.304 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -96 | -20 | -173.6 | -68.4 | -75.7 | 177.8 | 0 | 0 | 113.1 | I34 Q40 R43 S44 S47 | I34-E38 PolarHBondContact O-N 3.37Å; I34-E38 VanDerWaalsContact O-N 3.14Å; E38-Q40 PolarHBondContact O-N 2.94Å; E38-R43 HydrophobicContact CB-CB 4.36Å; E38-S44 WeakPolarHBondContact CB-OG 3.48Å; E38-S47 PolarHBondContact OE1-OG 3.05Å; E38-S47 VanDerWaalsContact OE1-OG 3.12Å |
| 39 | G | 71.8 | Confident | 79 | Confident | 57 Ų | 57 | 96.5 Ų | 96.5 | 59% | 0.588 | 48% | 0.482 | S | S | * | . | S | Bend | trans | 62.5 | -15.6 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | F35 | F35-G39 WeakPolarHBondContact O-CA 3.36Å; F35-G39 PolarHBondContact O-N 3.29Å; F35-G39 VanDerWaalsContact O-N 3.13Å |
| 40 | Q | 75.4 | Confident | 78.1 | Confident | 103 Ų | 103 | 95.8 Ų | 95.8 | 48% | 0.481 | 48% | 0.479 | S | S | . | . | S | Bend | trans | -125.4 | 115.3 | -177.9 | -63.2 | -177 | -1.9 | 0 | 0 | 110.3 | E38 K42 R43 S44 | E38-Q40 PolarHBondContact O-N 2.94Å; Q40-K42 PolarHBondContact O-N 3.46Å; Q40-R43 HydrophobicContact CB-CB 4.4Å; Q40-R43 HydrophobicContact CB-CG 4.36Å; Q40-R43 PolarHBondContact O-N 3.14Å; Q40-R43 VanDerWaalsContact OE1-NE 3.15Å; Q40-S44 PolarHBondContact O-N 2.87Å; Q40-S44 PolarHBondContact O-OG 3.29Å |
| 41 | I | 72.5 | Confident | 77.4 | Confident | 107 Ų | 107 | 98.7 Ų | 98.7 | 55% | 0.549 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -49.7 | -39.8 | -178.4 | -61.8 | 165.2 | 0 | 0 | 0 | 112.6 | F35 S44 I45 | F35-I41 HydrophobicContact CD2-CG1 4.07Å; F35-I41 HydrophobicContact CE2-CD1 4.16Å; F35-I41 HydrophobicContact CE2-CG1 3.63Å; I41-S44 WeakPolarHBondContact O-CB 3.36Å; I41-S44 PolarHBondContact O-N 2.84Å; I41-I45 HydrophobicContact CG2-CD1 3.79Å; I41-I45 HydrophobicContact CG2-CG1 4.44Å; I41-I45 WeakPolarHBondContact O-CG1 3.47Å; I41-I45 PolarHBondContact O-N 2.68Å |
| 42 | K | 74 | Confident | 76.7 | Confident | 183 Ų | 183 | 98.5 Ų | 98.5 | 80% | 0.796 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -66.5 | -38.8 | -178.8 | -65.7 | -172.2 | 179.8 | -176.1 | 0 | 112.6 | Q40 S46 | Q40-K42 PolarHBondContact O-N 3.46Å; K42-S46 PolarHBondContact O-N 3.45Å; K42-S46 VanDerWaalsContact O-N 3.17Å |
| 43 | R | 72.7 | Confident | 76 | Confident | 145 Ų | 145 | 99 Ų | 99 | 55% | 0.547 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -71.3 | -43.2 | 175.3 | -68.9 | -175.4 | -177.3 | 174.6 | 1.3 | 110.5 | E38 Q40 I45 S46 S47 | E38-R43 HydrophobicContact CB-CB 4.36Å; Q40-R43 HydrophobicContact CB-CB 4.4Å; Q40-R43 HydrophobicContact CB-CG 4.36Å; Q40-R43 PolarHBondContact O-N 3.14Å; Q40-R43 VanDerWaalsContact OE1-NE 3.15Å; R43-I45 VanDerWaalsContact C-N 3.34Å; R43-I45 PolarHBondContact O-N 2.84Å; R43-S46 PolarHBondContact O-N 2.71Å; R43-S46 VanDerWaalsContact O-N 3.1Å; R43-S47 WeakPolarHBondContact O-CB 3.44Å; R43-S47 PolarHBondContact O-N 3.26Å; R43-S47 PolarHBondContact O-OG 3.2Å |
| 44 | S | 71.4 | Confident | 75.2 | Confident | 9 Ų | 9 | 99.6 Ų | 99.6 | 6% | 0.063 | 49% | 0.492 | C | S | . | . | H | α-helix | trans | -50.3 | -50.9 | 172.8 | -60.1 | 0 | 0 | 0 | 0 | 112.6 | I34 E38 Q40 I41 S47 I48 | I34-S44 PolarHBondContact O-OG 3.06Å; E38-S44 WeakPolarHBondContact CB-OG 3.48Å; Q40-S44 PolarHBondContact O-N 2.87Å; Q40-S44 PolarHBondContact O-OG 3.29Å; I41-S44 WeakPolarHBondContact O-CB 3.36Å; I41-S44 PolarHBondContact O-N 2.84Å; S44-S47 PolarHBondContact O-N 3.46Å; S44-I48 WeakPolarHBondContact O-CB 3.43Å; S44-I48 WeakPolarHBondContact O-CD1 3.47Å; S44-I48 WeakPolarHBondContact O-CG1 3.27Å; S44-I48 PolarHBondContact O-N 3.5Å |
| 45 | I | 73.7 | Confident | 74.8 | Confident | 105 Ų | 105 | 101.7 Ų | 101.7 | 54% | 0.538 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -65.4 | -40.9 | 179.6 | -65.9 | 165.7 | 0 | 0 | 0 | 111.1 | I41 R43 I48 Y49 | I41-I45 HydrophobicContact CG2-CD1 3.79Å; I41-I45 HydrophobicContact CG2-CG1 4.44Å; I41-I45 WeakPolarHBondContact O-CG1 3.47Å; I41-I45 PolarHBondContact O-N 2.68Å; R43-I45 VanDerWaalsContact C-N 3.34Å; R43-I45 PolarHBondContact O-N 2.84Å; I45-I48 PolarHBondContact O-N 3.01Å; I45-Y49 WeakPolarHBondContact O-CB 3.09Å; I45-Y49 PolarHBondContact O-N 3.49Å |
| 46 | S | 75 | Confident | 74.6 | Confident | 62 Ų | 62 | 103.5 Ų | 103.5 | 43% | 0.434 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.9 | -40.3 | 177.5 | -168.3 | 0 | 0 | 0 | 0 | 112.1 | K42 R43 Y49 N50 | K42-S46 PolarHBondContact O-N 3.45Å; K42-S46 VanDerWaalsContact O-N 3.17Å; R43-S46 PolarHBondContact O-N 2.71Å; R43-S46 VanDerWaalsContact O-N 3.1Å; S46-Y49 PolarHBondContact O-N 3.49Å; S46-N50 WeakPolarHBondContact O-CB 3.45Å; S46-N50 VanDerWaalsContact O-CG 3.3Å; S46-N50 PolarHBondContact O-N 3.06Å; S46-N50 PolarHBondContact O-ND2 3.18Å |
| 47 | S | 73.1 | Confident | 74.5 | Confident | 46 Ų | 46 | 100 Ų | 100 | 32% | 0.322 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -65.5 | -42.2 | 175.8 | -64 | 0 | 0 | 0 | 0 | 110.9 | E38 R43 S44 Q51 | E38-S47 PolarHBondContact OE1-OG 3.05Å; E38-S47 VanDerWaalsContact OE1-OG 3.12Å; R43-S47 WeakPolarHBondContact O-CB 3.44Å; R43-S47 PolarHBondContact O-N 3.26Å; R43-S47 PolarHBondContact O-OG 3.2Å; S44-S47 PolarHBondContact O-N 3.46Å; S47-Q51 VanDerWaalsContact O-CB 3.27Å; S47-Q51 WeakPolarHBondContact O-CB 3.5Å; S47-Q51 PolarHBondContact O-N 3.07Å |
| 48 | I | 71.7 | Confident | 74.6 | Confident | 60 Ų | 60 | 95.7 Ų | 95.7 | 31% | 0.308 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -61 | -48.6 | 174.1 | -70.6 | 162.5 | 0 | 0 | 0 | 110.9 | I34 S44 I45 N50 Q51 I52 | I34-I48 HydrophobicContact CD1-CD1 3.84Å; I34-I48 HydrophobicContact CD1-CG1 3.61Å; I34-I48 HydrophobicContact CG2-CD1 4.09Å; I34-I48 HydrophobicContact CG2-CG1 4.26Å; S44-I48 WeakPolarHBondContact O-CB 3.43Å; S44-I48 WeakPolarHBondContact O-CD1 3.47Å; S44-I48 WeakPolarHBondContact O-CG1 3.27Å; S44-I48 PolarHBondContact O-N 3.5Å; I45-I48 PolarHBondContact O-N 3.01Å; I48-N50 PolarHBondContact O-N 3.03Å; I48-Q51 PolarHBondContact O-N 3.32Å; I48-I52 HydrophobicContact CG2-CD1 3.46Å; I48-I52 VanDerWaalsContact CG2-CD1 3.46Å; I48-I52 HydrophobicContact CG2-CG1 4.22Å; I48-I52 WeakPolarHBondContact O-CB 3.42Å; I48-I52 VanDerWaalsContact O-CG1 3.26Å; I48-I52 WeakPolarHBondContact O-CG1 3.22Å; I48-I52 PolarHBondContact O-N 2.9Å |
| 49 | Y | 72.9 | Confident | 75.1 | Confident | 155 Ų | 155 | 96 Ų | 96 | 61% | 0.608 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -62 | -45.2 | -178.8 | -174.3 | -101.6 | 0 | 0 | 0 | 111.6 | I45 S46 I52 I53 | I45-Y49 WeakPolarHBondContact O-CB 3.09Å; I45-Y49 PolarHBondContact O-N 3.49Å; S46-Y49 PolarHBondContact O-N 3.49Å; Y49-I52 PolarHBondContact O-N 3.4Å; Y49-I53 HydrophobicContact CD1-CD1 3.68Å; Y49-I53 HydrophobicContact CD2-CD1 3.86Å; Y49-I53 HydrophobicContact CE1-CD1 3.18Å; Y49-I53 HydrophobicContact CE2-CD1 3.38Å; Y49-I53 HydrophobicContact CG-CD1 4Å; Y49-I53 WeakPolarHBondContact O-CB 3.5Å; Y49-I53 PolarHBondContact O-N 3.45Å; Y49-I53 VanDerWaalsContact OH-CD1 3.31Å; Y49-I53 WeakPolarHBondContact OH-CD1 3.43Å |
| 50 | N | 73.6 | Confident | 75.8 | Confident | 90 Ų | 90 | 96.4 Ų | 96.4 | 48% | 0.481 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -62.3 | -43.7 | 175 | -74.7 | -18.8 | 0 | 0 | 0 | 111.3 | S46 I48 V54 | S46-N50 WeakPolarHBondContact O-CB 3.45Å; S46-N50 VanDerWaalsContact O-CG 3.3Å; S46-N50 PolarHBondContact O-N 3.06Å; S46-N50 PolarHBondContact O-ND2 3.18Å; I48-N50 PolarHBondContact O-N 3.03Å; N50-V54 WeakPolarHBondContact O-CB 3.41Å; N50-V54 WeakPolarHBondContact O-CG2 3.38Å; N50-V54 PolarHBondContact O-N 3.27Å |
| 51 | Q | 71.9 | Confident | 76.5 | Confident | 111 Ų | 111 | 97.7 Ų | 97.7 | 52% | 0.519 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -67.4 | -40.3 | -179.5 | -168.9 | 166.3 | 88.4 | 0 | 0 | 112.5 | S47 I48 Q55 | S47-Q51 VanDerWaalsContact O-CB 3.27Å; S47-Q51 WeakPolarHBondContact O-CB 3.5Å; S47-Q51 PolarHBondContact O-N 3.07Å; I48-Q51 PolarHBondContact O-N 3.32Å; Q51-Q55 WeakPolarHBondContact O-CB 3.31Å; Q51-Q55 PolarHBondContact O-N 3.48Å; Q51-Q55 VanDerWaalsContact O-N 3.14Å |
| 52 | I | 73 | Confident | 77.3 | Confident | 85 Ų | 85 | 97.3 Ų | 97.3 | 44% | 0.436 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -66.5 | -43.1 | 177.8 | -69.4 | 171.6 | 0 | 0 | 0 | 111.3 | I48 Y49 Y56 M59 | I48-I52 HydrophobicContact CG2-CD1 3.46Å; I48-I52 VanDerWaalsContact CG2-CD1 3.46Å; I48-I52 HydrophobicContact CG2-CG1 4.22Å; I48-I52 WeakPolarHBondContact O-CB 3.42Å; I48-I52 VanDerWaalsContact O-CG1 3.26Å; I48-I52 WeakPolarHBondContact O-CG1 3.22Å; I48-I52 PolarHBondContact O-N 2.9Å; Y49-I52 PolarHBondContact O-N 3.4Å; I52-Y56 PolarHBondContact O-N 3.05Å; I52-M59 HydrophobicContact CG1-CE 4.48Å |
| 53 | I | 74.2 | Confident | 78 | Confident | 94 Ų | 94 | 93.4 Ų | 93.4 | 48% | 0.482 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -76.7 | -42.3 | -177.9 | -75 | 165.4 | 0 | 0 | 0 | 111.9 | Y49 Q55 | Y49-I53 HydrophobicContact CD1-CD1 3.68Å; Y49-I53 HydrophobicContact CD2-CD1 3.86Å; Y49-I53 HydrophobicContact CE1-CD1 3.18Å; Y49-I53 HydrophobicContact CE2-CD1 3.38Å; Y49-I53 HydrophobicContact CG-CD1 4Å; Y49-I53 WeakPolarHBondContact O-CB 3.5Å; Y49-I53 PolarHBondContact O-N 3.45Å; Y49-I53 VanDerWaalsContact OH-CD1 3.31Å; Y49-I53 WeakPolarHBondContact OH-CD1 3.43Å; I53-Q55 VanDerWaalsContact C-N 3.31Å; I53-Q55 PolarHBondContact O-N 2.9Å |
| 54 | V | 71.4 | Confident | 78.9 | Confident | 117 Ų | 117 | 91.2 Ų | 91.2 | 71% | 0.709 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -68.9 | -32.8 | -177.5 | 174.2 | 0 | 0 | 0 | 0 | 111.1 | N50 | N50-V54 WeakPolarHBondContact O-CB 3.41Å; N50-V54 WeakPolarHBondContact O-CG2 3.38Å; N50-V54 PolarHBondContact O-N 3.27Å |
| 55 | Q | 75 | Confident | 79.7 | Confident | 83 Ų | 83 | 93.5 Ų | 93.5 | 39% | 0.388 | 48% | 0.476 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -115.6 | 30.8 | -175.2 | -57.8 | -167.5 | -80.9 | 0 | 0 | 113.9 | Q51 I53 N57 D58 M59 | Q51-Q55 WeakPolarHBondContact O-CB 3.31Å; Q51-Q55 PolarHBondContact O-N 3.48Å; Q51-Q55 VanDerWaalsContact O-N 3.14Å; I53-Q55 VanDerWaalsContact C-N 3.31Å; I53-Q55 PolarHBondContact O-N 2.9Å; Q55-N57 PolarHBondContact O-N 2.82Å; Q55-D58 HydrophobicContact CB-CB 4.19Å; Q55-D58 PolarHBondContact NE2-OD2 3.1Å; Q55-D58 WeakPolarHBondContact O-CB 3.28Å; Q55-D58 PolarHBondContact O-N 3.16Å; Q55-M59 WeakPolarHBondContact O-CG 3.39Å; Q55-M59 PolarHBondContact O-N 3.24Å; Q55-M59 VanDerWaalsContact O-N 3.07Å |
| 56 | Y | 79.9 | Confident | 80.3 | Confident | 147 Ų | 147 | 90.6 Ų | 90.6 | 58% | 0.576 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -55.3 | -36.1 | 179.3 | -179.9 | -105.9 | 0 | 0 | 0 | 113.3 | I52 D58 M59 I60 | I52-Y56 PolarHBondContact O-N 3.05Å; Y56-D58 PolarHBondContact O-N 3.31Å; Y56-M59 WeakPolarHBondContact O-CB 3.3Å; Y56-M59 PolarHBondContact O-N 2.88Å; Y56-I60 HydrophobicContact CD1-CD1 3.71Å; Y56-I60 HydrophobicContact CD1-CG1 4.44Å; Y56-I60 HydrophobicContact CE1-CD1 3.14Å; Y56-I60 HydrophobicContact CE1-CG1 3.98Å; Y56-I60 HydrophobicContact CE2-CD1 4.43Å; Y56-I60 HydrophobicContact CE2-CG1 4.44Å; Y56-I60 PolarHBondContact O-N 3.41Å |
| 57 | N | 83.8 | Confident | 81 | Confident | 116 Ų | 116 | 90.9 Ų | 90.9 | 62% | 0.62 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -63.5 | -41.1 | 175.9 | -75.2 | -14.3 | 0 | 0 | 0 | 112.3 | Q55 M59 I60 Q61 | Q55-N57 PolarHBondContact O-N 2.82Å; N57-M59 VanDerWaalsContact C-N 3.28Å; N57-M59 PolarHBondContact O-N 3.35Å; N57-I60 PolarHBondContact O-N 3.43Å; N57-Q61 WeakPolarHBondContact O-CG 3.47Å; N57-Q61 PolarHBondContact O-N 3.4Å |
| 58 | D | 84.8 | Confident | 81.8 | Confident | 70 Ų | 70 | 93.4 Ų | 93.4 | 37% | 0.374 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -66.2 | -36.3 | 177.6 | -56.9 | -24.2 | 0 | 0 | 0 | 110.2 | Q55 Y56 I60 Q61 I62 | Q55-D58 HydrophobicContact CB-CB 4.19Å; Q55-D58 PolarHBondContact NE2-OD2 3.1Å; Q55-D58 WeakPolarHBondContact O-CB 3.28Å; Q55-D58 PolarHBondContact O-N 3.16Å; Y56-D58 PolarHBondContact O-N 3.31Å; D58-I60 PolarHBondContact O-N 3.28Å; D58-Q61 WeakPolarHBondContact O-CB 3.32Å; D58-Q61 PolarHBondContact O-N 3.5Å; D58-I62 PolarHBondContact O-N 3.44Å |
| 59 | M | 84.8 | Confident | 82.5 | Confident | 71 Ų | 71 | 97.5 Ų | 97.5 | 35% | 0.35 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -61.5 | -42.3 | 174.1 | -63.6 | -70.3 | 174.4 | 0 | 0 | 112.2 | I52 Q55 Y56 N57 Q61 I62 L63 | I52-M59 HydrophobicContact CG1-CE 4.48Å; Q55-M59 WeakPolarHBondContact O-CG 3.39Å; Q55-M59 PolarHBondContact O-N 3.24Å; Q55-M59 VanDerWaalsContact O-N 3.07Å; Y56-M59 WeakPolarHBondContact O-CB 3.3Å; Y56-M59 PolarHBondContact O-N 2.88Å; N57-M59 VanDerWaalsContact C-N 3.28Å; N57-M59 PolarHBondContact O-N 3.35Å; M59-Q61 VanDerWaalsContact C-N 3.35Å; M59-I62 WeakPolarHBondContact O-CG1 3.38Å; M59-I62 PolarHBondContact O-N 3.43Å; M59-I62 HydrophobicContact SD-CD1 4.02Å; M59-L63 WeakPolarHBondContact O-CB 3.02Å; M59-L63 PolarHBondContact O-N 3.34Å |
| 60 | I | 87.9 | Confident | 83.2 | Confident | 65 Ų | 65 | 93.5 Ų | 93.5 | 33% | 0.333 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -66 | -39.9 | 174.8 | -65.3 | 166 | 0 | 0 | 0 | 110.6 | Y56 N57 D58 I62 L63 I64 | Y56-I60 HydrophobicContact CD1-CD1 3.71Å; Y56-I60 HydrophobicContact CD1-CG1 4.44Å; Y56-I60 HydrophobicContact CE1-CD1 3.14Å; Y56-I60 HydrophobicContact CE1-CG1 3.98Å; Y56-I60 HydrophobicContact CE2-CD1 4.43Å; Y56-I60 HydrophobicContact CE2-CG1 4.44Å; Y56-I60 PolarHBondContact O-N 3.41Å; N57-I60 PolarHBondContact O-N 3.43Å; D58-I60 PolarHBondContact O-N 3.28Å; I60-I62 VanDerWaalsContact C-N 3.33Å; I60-I62 PolarHBondContact O-N 2.86Å; I60-L63 WeakPolarHBondContact O-CB 3.39Å; I60-L63 PolarHBondContact O-N 3.13Å; I60-L63 VanDerWaalsContact O-N 3.13Å; I60-I64 PolarHBondContact O-N 3.01Å |
| 61 | Q | 89.1 | Confident | 84 | Confident | 130 Ų | 130 | 92.7 Ų | 92.7 | 61% | 0.607 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -61.7 | -38.9 | 179 | -72.8 | -179.6 | 3.4 | 0 | 0 | 112.5 | N57 D58 M59 P65 | N57-Q61 WeakPolarHBondContact O-CG 3.47Å; N57-Q61 PolarHBondContact O-N 3.4Å; D58-Q61 WeakPolarHBondContact O-CB 3.32Å; D58-Q61 PolarHBondContact O-N 3.5Å; M59-Q61 VanDerWaalsContact C-N 3.35Å; Q61-P65 WeakPolarHBondContact O-CD 3.35Å |
| 62 | I | 88.4 | Confident | 84.6 | Confident | 100 Ų | 100 | 90.9 Ų | 90.9 | 51% | 0.513 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -77.9 | -20.1 | 175.2 | 65 | 173.7 | 0 | 0 | 0 | 113.3 | D58 M59 I60 P65 S66 | D58-I62 PolarHBondContact O-N 3.44Å; M59-I62 WeakPolarHBondContact O-CG1 3.38Å; M59-I62 PolarHBondContact O-N 3.43Å; M59-I62 HydrophobicContact SD-CD1 4.02Å; I60-I62 VanDerWaalsContact C-N 3.33Å; I60-I62 PolarHBondContact O-N 2.86Å; I62-P65 WeakPolarHBondContact O-CD 3.43Å; I62-P65 VanDerWaalsContact O-CG 3.3Å; I62-P65 WeakPolarHBondContact O-CG 3.44Å; I62-S66 PolarHBondContact O-N 3.33Å; I62-S66 PolarHBondContact O-OG 2.8Å |
| 63 | L | 88.9 | Confident | 85.2 | Confident | 101 Ų | 101 | 88.9 Ų | 88.9 | 53% | 0.529 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -69.4 | -36.5 | 176.7 | -178.9 | 64 | 0 | 0 | 0 | 112 | M59 I60 S66 T67 | M59-L63 WeakPolarHBondContact O-CB 3.02Å; M59-L63 PolarHBondContact O-N 3.34Å; I60-L63 WeakPolarHBondContact O-CB 3.39Å; I60-L63 PolarHBondContact O-N 3.13Å; I60-L63 VanDerWaalsContact O-N 3.13Å; L63-S66 PolarHBondContact O-N 2.79Å; L63-T67 WeakPolarHBondContact O-CB 3.44Å; L63-T67 PolarHBondContact O-N 2.92Å; L63-T67 PolarHBondContact O-OG1 2.85Å |
| 64 | I | 91.7 | Very high | 85.7 | Confident | 98 Ų | 98 | 87.5 Ų | 87.5 | 50% | 0.503 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -56.6 | -57.1 | 178.9 | -62.3 | 161.1 | 0 | 0 | 0 | 111.9 | I60 S66 T67 L68 | I60-I64 PolarHBondContact O-N 3.01Å; I64-S66 VanDerWaalsContact C-N 3.32Å; I64-S66 PolarHBondContact O-N 3.06Å; I64-T67 PolarHBondContact O-N 3.35Å; I64-L68 HydrophobicContact CG2-CD1 4.1Å; I64-L68 WeakPolarHBondContact O-CG 3.23Å; I64-L68 PolarHBondContact O-N 3.41Å |
| 65 | P | 88.1 | Confident | 86.4 | Confident | 57 Ų | 57 | 87.4 Ų | 87.4 | 37% | 0.37 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -63 | -39 | 178.4 | 23.8 | -32.5 | 0 | 0 | 0 | 111.6 | Q61 I62 T67 L68 Y69 | Q61-P65 WeakPolarHBondContact O-CD 3.35Å; I62-P65 WeakPolarHBondContact O-CD 3.43Å; I62-P65 VanDerWaalsContact O-CG 3.3Å; I62-P65 WeakPolarHBondContact O-CG 3.44Å; P65-T67 PolarHBondContact O-N 3.29Å; P65-L68 PolarHBondContact O-N 3.14Å; P65-Y69 WeakPolarHBondContact O-CD2 3.35Å; P65-Y69 PolarHBondContact O-N 3.43Å |
| 66 | S | 87.6 | Confident | 86.8 | Confident | 45 Ų | 45 | 86.4 Ų | 86.4 | 32% | 0.315 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -59.9 | -44.8 | 178.5 | -56.8 | 0 | 0 | 0 | 0 | 112 | I62 L63 I64 Y69 I70 | I62-S66 PolarHBondContact O-N 3.33Å; I62-S66 PolarHBondContact O-OG 2.8Å; L63-S66 PolarHBondContact O-N 2.79Å; I64-S66 VanDerWaalsContact C-N 3.32Å; I64-S66 PolarHBondContact O-N 3.06Å; S66-Y69 WeakPolarHBondContact O-CB 3.08Å; S66-Y69 PolarHBondContact O-N 3.1Å; S66-I70 PolarHBondContact O-N 3.3Å; S66-I70 VanDerWaalsContact O-N 3.1Å |
| 67 | T | 88.4 | Confident | 86.9 | Confident | 68 Ų | 68 | 82.9 Ų | 82.9 | 42% | 0.417 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -65.6 | -44.1 | 176.3 | -54.7 | 0 | 0 | 0 | 0 | 111.4 | L63 I64 P65 Y69 I70 V71 | L63-T67 WeakPolarHBondContact O-CB 3.44Å; L63-T67 PolarHBondContact O-N 2.92Å; L63-T67 PolarHBondContact O-OG1 2.85Å; I64-T67 PolarHBondContact O-N 3.35Å; P65-T67 PolarHBondContact O-N 3.29Å; T67-Y69 VanDerWaalsContact C-N 3.25Å; T67-Y69 PolarHBondContact O-N 2.86Å; T67-I70 WeakPolarHBondContact O-CB 3.42Å; T67-I70 PolarHBondContact O-N 3.26Å; T67-I70 VanDerWaalsContact O-N 3.09Å; T67-V71 PolarHBondContact O-N 3Å |
| 68 | L | 90.1 | Very high | 86.8 | Confident | 99 Ų | 99 | 83.3 Ų | 83.3 | 52% | 0.518 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -60.6 | -35.5 | 174.4 | -73.8 | 171.1 | 0 | 0 | 0 | 111.9 | I64 P65 V71 Q72 | I64-L68 HydrophobicContact CG2-CD1 4.1Å; I64-L68 WeakPolarHBondContact O-CG 3.23Å; I64-L68 PolarHBondContact O-N 3.41Å; P65-L68 PolarHBondContact O-N 3.14Å; L68-V71 PolarHBondContact O-N 3.09Å; L68-Q72 WeakPolarHBondContact O-CB 3.31Å; L68-Q72 VanDerWaalsContact O-CG 3.23Å; L68-Q72 WeakPolarHBondContact O-CG 3.49Å; L68-Q72 PolarHBondContact O-N 2.82Å; L68-Q72 PolarHBondContact O-NE2 3.35Å |
| 69 | Y | 87.5 | Confident | 86.7 | Confident | 145 Ų | 145 | 81 Ų | 81 | 57% | 0.569 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -64.6 | -39 | 173.3 | -87 | -69.3 | 0 | 0 | 0 | 112 | P65 S66 T67 Q72 N73 | P65-Y69 WeakPolarHBondContact O-CD2 3.35Å; P65-Y69 PolarHBondContact O-N 3.43Å; S66-Y69 WeakPolarHBondContact O-CB 3.08Å; S66-Y69 PolarHBondContact O-N 3.1Å; T67-Y69 VanDerWaalsContact C-N 3.25Å; T67-Y69 PolarHBondContact O-N 2.86Å; Y69-Q72 PolarHBondContact O-N 3.42Å; Y69-N73 VanDerWaalsContact O-CB 3.31Å; Y69-N73 WeakPolarHBondContact O-CB 3.46Å; Y69-N73 PolarHBondContact O-N 2.77Å; Y69-N73 PolarHBondContact O-ND2 3.17Å |
| 70 | I | 87.7 | Confident | 86.5 | Confident | 72 Ų | 72 | 80.4 Ų | 80.4 | 37% | 0.369 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -61.9 | -46.8 | 174.6 | -66.2 | 165.3 | 0 | 0 | 0 | 110.5 | V19 S66 T67 N73 N74 | V19-I70 HydrophobicContact CG1-CD1 4.39Å; V19-I70 HydrophobicContact CG1-CG1 3.75Å; S66-I70 PolarHBondContact O-N 3.3Å; S66-I70 VanDerWaalsContact O-N 3.1Å; T67-I70 WeakPolarHBondContact O-CB 3.42Å; T67-I70 PolarHBondContact O-N 3.26Å; T67-I70 VanDerWaalsContact O-N 3.09Å; I70-N73 WeakPolarHBondContact O-CB 3.26Å; I70-N73 PolarHBondContact O-N 3.04Å; I70-N74 PolarHBondContact O-N 3.06Å; I70-N74 PolarHBondContact O-ND2 3.33Å |
| 71 | V | 88.9 | Confident | 86.1 | Confident | 73 Ų | 73 | 80 Ų | 80 | 44% | 0.442 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -61.5 | -46.8 | 177.3 | 175 | 0 | 0 | 0 | 0 | 110.7 | T67 L68 N73 N74 L75 | T67-V71 PolarHBondContact O-N 3Å; L68-V71 PolarHBondContact O-N 3.09Å; V71-N73 VanDerWaalsContact C-N 3.29Å; V71-N73 PolarHBondContact O-N 3.04Å; V71-N74 PolarHBondContact O-N 2.93Å; V71-N74 VanDerWaalsContact O-N 3.17Å; V71-L75 HydrophobicContact CG1-CD1 3.93Å; V71-L75 WeakPolarHBondContact O-CD1 2.81Å; V71-L75 PolarHBondContact O-N 3.38Å |
| 72 | Q | 86.2 | Confident | 85.6 | Confident | 73 Ų | 73 | 79.8 Ų | 79.8 | 34% | 0.341 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -57.8 | -41.8 | 176.8 | -78.5 | -179.2 | 85.5 | 0 | 0 | 112.4 | L68 Y69 L75 L76 | L68-Q72 WeakPolarHBondContact O-CB 3.31Å; L68-Q72 VanDerWaalsContact O-CG 3.23Å; L68-Q72 WeakPolarHBondContact O-CG 3.49Å; L68-Q72 PolarHBondContact O-N 2.82Å; L68-Q72 PolarHBondContact O-NE2 3.35Å; Y69-Q72 PolarHBondContact O-N 3.42Å; Q72-L75 PolarHBondContact O-N 3.44Å; Q72-L76 VanDerWaalsContact O-CB 3.31Å; Q72-L76 WeakPolarHBondContact O-CB 3.47Å; Q72-L76 PolarHBondContact O-N 3.15Å |
| 73 | N | 84.1 | Confident | 85.3 | Confident | 43 Ų | 43 | 77.5 Ų | 77.5 | 23% | 0.23 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -63.2 | -41.7 | 177.1 | -88.7 | -60.4 | 0 | 0 | 0 | 112 | A15 V19 Y69 I70 V71 L76 Y77 | A15-N73 HydrophobicContact CB-CB 3.55Å; A15-N73 VanDerWaalsContact CB-O 3.26Å; A15-N73 WeakPolarHBondContact CB-O 3.42Å; V19-N73 HydrophobicContact CG2-CB 4.35Å; V19-N73 WeakPolarHBondContact CG2-ND2 3.48Å; Y69-N73 VanDerWaalsContact O-CB 3.31Å; Y69-N73 WeakPolarHBondContact O-CB 3.46Å; Y69-N73 PolarHBondContact O-N 2.77Å; Y69-N73 PolarHBondContact O-ND2 3.17Å; I70-N73 WeakPolarHBondContact O-CB 3.26Å; I70-N73 PolarHBondContact O-N 3.04Å; V71-N73 VanDerWaalsContact C-N 3.29Å; V71-N73 PolarHBondContact O-N 3.04Å; N73-L76 WeakPolarHBondContact O-CB 3.31Å; N73-L76 PolarHBondContact O-N 3.43Å; N73-Y77 PolarHBondContact O-N 2.84Å |
| 74 | N | 85.3 | Confident | 85 | Confident | 65 Ų | 65 | 77.7 Ų | 77.7 | 35% | 0.348 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -68.4 | -41.4 | 176.2 | -78.3 | -85.2 | 0 | 0 | 0 | 112.5 | S16 I70 V71 L76 Y77 F78 | S16-N74 PolarHBondContact OG-ND2 3.17Å; S16-N74 VanDerWaalsContact OG-ND2 3.1Å; S16-N74 PolarHBondContact OG-OD1 2.92Å; I70-N74 PolarHBondContact O-N 3.06Å; I70-N74 PolarHBondContact O-ND2 3.33Å; V71-N74 PolarHBondContact O-N 2.93Å; V71-N74 VanDerWaalsContact O-N 3.17Å; N74-L76 VanDerWaalsContact C-N 3.31Å; N74-L76 PolarHBondContact O-N 3.05Å; N74-Y77 WeakPolarHBondContact O-CB 3Å; N74-Y77 PolarHBondContact O-N 3.36Å; N74-F78 PolarHBondContact O-N 3.34Å |
| 75 | L | 86.2 | Confident | 84.3 | Confident | 115 Ų | 115 | 76 Ų | 76 | 60% | 0.602 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -64 | -38.1 | 174.6 | -95.7 | 65 | 0 | 0 | 0 | 111.8 | V71 Q72 F78 A79 | V71-L75 HydrophobicContact CG1-CD1 3.93Å; V71-L75 WeakPolarHBondContact O-CD1 2.81Å; V71-L75 PolarHBondContact O-N 3.38Å; Q72-L75 PolarHBondContact O-N 3.44Å; L75-F78 PolarHBondContact O-N 3.04Å; L75-A79 WeakPolarHBondContact O-CB 3.42Å; L75-A79 PolarHBondContact O-N 3.39Å |
| 76 | L | 83.6 | Confident | 84 | Confident | 61 Ų | 61 | 76 Ų | 76 | 32% | 0.319 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -60.8 | -48.3 | 174.9 | -168 | 87 | 0 | 0 | 0 | 110.4 | Q72 N73 N74 F78 A79 I80 Y88 | Q72-L76 VanDerWaalsContact O-CB 3.31Å; Q72-L76 WeakPolarHBondContact O-CB 3.47Å; Q72-L76 PolarHBondContact O-N 3.15Å; N73-L76 WeakPolarHBondContact O-CB 3.31Å; N73-L76 PolarHBondContact O-N 3.43Å; N74-L76 VanDerWaalsContact C-N 3.31Å; N74-L76 PolarHBondContact O-N 3.05Å; L76-F78 VanDerWaalsContact C-N 3.33Å; L76-F78 PolarHBondContact O-N 2.89Å; L76-A79 WeakPolarHBondContact O-CB 3.14Å; L76-A79 PolarHBondContact O-N 2.97Å; L76-I80 HydrophobicContact CD2-CD1 4.45Å; L76-I80 HydrophobicContact CG-CD1 4.32Å; L76-I80 WeakPolarHBondContact O-CG1 3.42Å; L76-I80 PolarHBondContact O-N 2.88Å; L76-Y88 HydrophobicContact CD1-CE2 3.67Å; L76-Y88 HydrophobicContact CG-CE2 4.15Å |
| 77 | Y | 81.1 | Confident | 83.8 | Confident | 73 Ų | 73 | 78.3 Ų | 78.3 | 29% | 0.286 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -57.7 | -46.7 | 177 | -179 | -86.7 | 0 | 0 | 0 | 111.6 | E11 L12 N73 N74 A79 I80 S81 | E11-Y77 WeakPolarHBondContact O-CE2 3.37Å; E11-Y77 PolarHBondContact O-OH 3.03Å; L12-Y77 WeakPolarHBondContact CD2-OH 3.33Å; N73-Y77 PolarHBondContact O-N 2.84Å; N74-Y77 WeakPolarHBondContact O-CB 3Å; N74-Y77 PolarHBondContact O-N 3.36Å; Y77-A79 VanDerWaalsContact C-N 3.25Å; Y77-A79 PolarHBondContact O-N 3.49Å; Y77-I80 PolarHBondContact O-N 3.45Å; Y77-S81 PolarHBondContact O-N 3.32Å; Y77-S81 VanDerWaalsContact O-N 3.15Å; Y77-S81 PolarHBondContact O-OG 2.99Å |
| 78 | F | 82.6 | Confident | 83.6 | Confident | 125 Ų | 125 | 77.8 Ų | 77.8 | 55% | 0.548 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -60.2 | -36.1 | 174.5 | -179 | -92.7 | 0 | 0 | 0 | 112.5 | N74 L75 L76 S81 H82 | N74-F78 PolarHBondContact O-N 3.34Å; L75-F78 PolarHBondContact O-N 3.04Å; L76-F78 VanDerWaalsContact C-N 3.33Å; L76-F78 PolarHBondContact O-N 2.89Å; F78-S81 PolarHBondContact O-OG 2.95Å; F78-S81 VanDerWaalsContact O-OG 3.04Å; F78-H82 AromaticContact CD2-CE1 3.44Å; F78-H82 VanDerWaalsContact CD2-CE1 3.44Å; F78-H82 WeakPolarHBondContact CD2-CE1 3.42Å; F78-H82 AromaticContact CD2-ND1 3.55Å; F78-H82 AromaticContact CE1-ND1 3.9Å; F78-H82 AromaticContact CE2-CE1 3.11Å; F78-H82 WeakPolarHBondContact CE2-CE1 3.39Å; F78-H82 AromaticContact CE2-ND1 3.42Å; F78-H82 WeakPolarHBondContact CE2-ND1 3.11Å; F78-H82 AromaticContact CE2-NE2 3.85Å; F78-H82 AromaticContact CG-ND1 3.85Å; F78-H82 AromaticContact CZ-CE1 3.63Å; F78-H82 AromaticContact CZ-ND1 3.6Å; F78-H82 PolarHBondContact O-N 3.44Å; F78-H82 PolarHBondContact O-ND1 3.12Å |
| 79 | A | 83.3 | Confident | 83.1 | Confident | 21 Ų | 21 | 75 Ų | 75 | 17% | 0.174 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -69 | -44.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | L75 L76 Y77 S81 H82 L83 | L75-A79 WeakPolarHBondContact O-CB 3.42Å; L75-A79 PolarHBondContact O-N 3.39Å; L76-A79 WeakPolarHBondContact O-CB 3.14Å; L76-A79 PolarHBondContact O-N 2.97Å; Y77-A79 VanDerWaalsContact C-N 3.25Å; Y77-A79 PolarHBondContact O-N 3.49Å; A79-S81 VanDerWaalsContact C-N 3.31Å; A79-S81 PolarHBondContact O-N 3.26Å; A79-H82 PolarHBondContact O-N 3.31Å; A79-L83 HydrophobicContact CB-CD1 4.19Å; A79-L83 WeakPolarHBondContact O-CA 3.42Å; A79-L83 WeakPolarHBondContact O-CB 3.26Å; A79-L83 VanDerWaalsContact O-CD1 3.23Å; A79-L83 WeakPolarHBondContact O-CD1 3.41Å; A79-L83 PolarHBondContact O-N 3.48Å |
| 80 | I | 79.4 | Confident | 82.8 | Confident | 59 Ų | 59 | 73 Ų | 73 | 30% | 0.303 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -65.4 | -38.4 | -179.9 | -52.9 | 166.4 | 0 | 0 | 0 | 110.3 | E11 L76 Y77 H82 Y88 | E11-I80 VanDerWaalsContact CD-CG2 3.42Å; E11-I80 WeakPolarHBondContact OE1-CG2 3.4Å; E11-I80 VanDerWaalsContact OE2-C 3.24Å; E11-I80 WeakPolarHBondContact OE2-CB 3.41Å; E11-I80 WeakPolarHBondContact OE2-CG2 3.44Å; L76-I80 HydrophobicContact CD2-CD1 4.45Å; L76-I80 HydrophobicContact CG-CD1 4.32Å; L76-I80 WeakPolarHBondContact O-CG1 3.42Å; L76-I80 PolarHBondContact O-N 2.88Å; Y77-I80 PolarHBondContact O-N 3.45Å; I80-H82 VanDerWaalsContact C-N 3.29Å; I80-H82 PolarHBondContact O-N 3.04Å; I80-Y88 HydrophobicContact CD1-CE2 4.13Å; I80-Y88 HydrophobicContact CG1-CD2 3.8Å; I80-Y88 HydrophobicContact CG1-CE2 3.61Å |
| 81 | S | 79.1 | Confident | 82.8 | Confident | 56 Ų | 56 | 73.8 Ų | 73.8 | 39% | 0.392 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -69.4 | -22.8 | -179.8 | 72.9 | 0 | 0 | 0 | 0 | 114.4 | E11 Y77 F78 A79 | E11-S81 PolarHBondContact OE2-N 2.85Å; Y77-S81 PolarHBondContact O-N 3.32Å; Y77-S81 VanDerWaalsContact O-N 3.15Å; Y77-S81 PolarHBondContact O-OG 2.99Å; F78-S81 PolarHBondContact O-OG 2.95Å; F78-S81 VanDerWaalsContact O-OG 3.04Å; A79-S81 VanDerWaalsContact C-N 3.31Å; A79-S81 PolarHBondContact O-N 3.26Å |
| 82 | H | 80 | Confident | 82.5 | Confident | 126 Ų | 126 | 75.6 Ų | 75.6 | 58% | 0.583 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -112.8 | -21.9 | -177.4 | -65.4 | 91 | 0 | 0 | 0 | 114 | F78 A79 I80 | F78-H82 AromaticContact CD2-CE1 3.44Å; F78-H82 VanDerWaalsContact CD2-CE1 3.44Å; F78-H82 WeakPolarHBondContact CD2-CE1 3.42Å; F78-H82 AromaticContact CD2-ND1 3.55Å; F78-H82 AromaticContact CE1-ND1 3.9Å; F78-H82 AromaticContact CE2-CE1 3.11Å; F78-H82 WeakPolarHBondContact CE2-CE1 3.39Å; F78-H82 AromaticContact CE2-ND1 3.42Å; F78-H82 WeakPolarHBondContact CE2-ND1 3.11Å; F78-H82 AromaticContact CE2-NE2 3.85Å; F78-H82 AromaticContact CG-ND1 3.85Å; F78-H82 AromaticContact CZ-CE1 3.63Å; F78-H82 AromaticContact CZ-ND1 3.6Å; F78-H82 PolarHBondContact O-N 3.44Å; F78-H82 PolarHBondContact O-ND1 3.12Å; A79-H82 PolarHBondContact O-N 3.31Å; I80-H82 VanDerWaalsContact C-N 3.29Å; I80-H82 PolarHBondContact O-N 3.04Å |
| 83 | L | 81.2 | Confident | 82.3 | Confident | 52 Ų | 52 | 73 Ų | 73 | 27% | 0.272 | 38% | 0.376 | S | S | . | . | S | Bend | trans | -105.9 | 137.6 | -177.1 | -73.2 | 77.4 | 0 | 0 | 0 | 110.7 | A79 L87 L91 | A79-L83 HydrophobicContact CB-CD1 4.19Å; A79-L83 WeakPolarHBondContact O-CA 3.42Å; A79-L83 WeakPolarHBondContact O-CB 3.26Å; A79-L83 VanDerWaalsContact O-CD1 3.23Å; A79-L83 WeakPolarHBondContact O-CD1 3.41Å; A79-L83 PolarHBondContact O-N 3.48Å; L83-L87 HydrophobicContact CB-CB 4.3Å; L83-L87 HydrophobicContact CD2-CB 4.03Å; L83-L91 HydrophobicContact CD2-CD1 3.24Å |
| 84 | N | 82.2 | Confident | 82.2 | Confident | 106 Ų | 106 | 73.5 Ų | 73.5 | 57% | 0.567 | 38% | 0.383 | S | S | * | . | trans | -58.3 | 142.6 | 167.5 | -178.3 | -30.8 | 0 | 0 | 0 | 109.9 | V86 L87 Y88 | N84-V86 PolarHBondContact O-N 2.75Å; N84-V86 PolarHBondContact OD1-N 3.01Å; N84-V86 VanDerWaalsContact OD1-N 3.1Å; N84-L87 PolarHBondContact O-N 3.29Å; N84-Y88 PolarHBondContact O-N 2.77Å; N84-Y88 VanDerWaalsContact O-N 3.13Å | ||
| 85 | A | 78.3 | Confident | 82.2 | Confident | 62 Ų | 62 | 74.8 Ų | 74.8 | 51% | 0.512 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -42.3 | -35.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | Q89 | A85-Q89 PolarHBondContact O-N 3.33Å; A85-Q89 VanDerWaalsContact O-N 3.07Å |
| 86 | V | 80.9 | Confident | 82 | Confident | 56 Ų | 56 | 72.9 Ų | 72.9 | 34% | 0.339 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -61.8 | -49.1 | 175.9 | -179.9 | 0 | 0 | 0 | 0 | 112.1 | N84 Y88 Q89 I90 H134 | N84-V86 PolarHBondContact O-N 2.75Å; N84-V86 PolarHBondContact OD1-N 3.01Å; N84-V86 VanDerWaalsContact OD1-N 3.1Å; V86-Y88 VanDerWaalsContact C-N 3.34Å; V86-Q89 PolarHBondContact O-N 3.49Å; V86-I90 HydrophobicContact CG1-CD1 4.04Å; V86-I90 WeakPolarHBondContact O-CG1 3.37Å; V86-I90 PolarHBondContact O-N 3Å; V86-H134 WeakPolarHBondContact CG2-CE1 3.34Å; V86-H134 VanDerWaalsContact CG2-NE2 3.34Å; V86-H134 WeakPolarHBondContact CG2-NE2 3.31Å |
| 87 | L | 84.4 | Confident | 82 | Confident | 94 Ų | 94 | 74.6 Ų | 74.6 | 49% | 0.492 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -68.1 | -38.2 | -178.9 | -66.8 | 175.7 | 0 | 0 | 0 | 111 | L83 N84 Q89 I90 L91 | L83-L87 HydrophobicContact CB-CB 4.3Å; L83-L87 HydrophobicContact CD2-CB 4.03Å; N84-L87 PolarHBondContact O-N 3.29Å; L87-Q89 VanDerWaalsContact C-N 3.3Å; L87-Q89 PolarHBondContact O-N 2.92Å; L87-I90 PolarHBondContact O-N 3.23Å; L87-L91 WeakPolarHBondContact O-CB 3.44Å; L87-L91 WeakPolarHBondContact O-CG 3.48Å; L87-L91 PolarHBondContact O-N 2.88Å |
| 88 | Y | 82.7 | Confident | 82.2 | Confident | 57 Ų | 57 | 74 Ų | 74 | 22% | 0.224 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -55.9 | -46.2 | 173.6 | 176.3 | -95.1 | 0 | 0 | 0 | 111.5 | L76 I80 N84 V86 I90 L91 Y92 | L76-Y88 HydrophobicContact CD1-CE2 3.67Å; L76-Y88 HydrophobicContact CG-CE2 4.15Å; I80-Y88 HydrophobicContact CD1-CE2 4.13Å; I80-Y88 HydrophobicContact CG1-CD2 3.8Å; I80-Y88 HydrophobicContact CG1-CE2 3.61Å; N84-Y88 PolarHBondContact O-N 2.77Å; N84-Y88 VanDerWaalsContact O-N 3.13Å; V86-Y88 VanDerWaalsContact C-N 3.34Å; Y88-I90 PolarHBondContact O-N 3.4Å; Y88-L91 PolarHBondContact O-N 3.26Å; Y88-Y92 WeakPolarHBondContact O-CB 3.42Å; Y88-Y92 PolarHBondContact O-N 3.04Å |
| 89 | Q | 80.7 | Confident | 82.4 | Confident | 40 Ų | 40 | 71.9 Ų | 71.9 | 19% | 0.187 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -62.4 | -43.6 | 179.9 | -156.2 | 75.4 | -35.3 | 0 | 0 | 112.7 | A85 V86 L87 Y92 Q93 Q130 | A85-Q89 PolarHBondContact O-N 3.33Å; A85-Q89 VanDerWaalsContact O-N 3.07Å; V86-Q89 PolarHBondContact O-N 3.49Å; L87-Q89 VanDerWaalsContact C-N 3.3Å; L87-Q89 PolarHBondContact O-N 2.92Å; Q89-Y92 PolarHBondContact O-N 2.88Å; Q89-Q93 WeakPolarHBondContact O-CG 3.41Å; Q89-Q93 PolarHBondContact O-N 3.44Å; Q89-Q93 VanDerWaalsContact O-N 3.15Å; Q89-Q130 HydrophobicContact CG-CB 3.81Å; Q89-Q130 HydrophobicContact CG-CG 4.33Å; Q89-Q130 PolarHBondContact NE2-O 3.38Å; Q89-Q130 VanDerWaalsContact NE2-OE1 3.09Å |
| 90 | I | 82.2 | Confident | 82.4 | Confident | 103 Ų | 103 | 71.6 Ų | 71.6 | 53% | 0.528 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -64.4 | -44.1 | 178.6 | -64.9 | 165.8 | 0 | 0 | 0 | 110.2 | V86 L87 Y88 Q93 S94 | V86-I90 HydrophobicContact CG1-CD1 4.04Å; V86-I90 WeakPolarHBondContact O-CG1 3.37Å; V86-I90 PolarHBondContact O-N 3Å; L87-I90 PolarHBondContact O-N 3.23Å; Y88-I90 PolarHBondContact O-N 3.4Å; I90-Q93 PolarHBondContact O-N 3.46Å; I90-S94 PolarHBondContact O-N 2.77Å |
| 91 | L | 86.1 | Confident | 82.6 | Confident | 90 Ų | 90 | 71.9 Ų | 71.9 | 47% | 0.471 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -65.2 | -37.1 | 177.5 | -72.8 | 171.6 | 0 | 0 | 0 | 112.7 | L83 L87 Y88 S94 K95 | L83-L91 HydrophobicContact CD2-CD1 3.24Å; L87-L91 WeakPolarHBondContact O-CB 3.44Å; L87-L91 WeakPolarHBondContact O-CG 3.48Å; L87-L91 PolarHBondContact O-N 2.88Å; Y88-L91 PolarHBondContact O-N 3.26Å; L91-S94 WeakPolarHBondContact CA-OG 3.2Å; L91-S94 PolarHBondContact O-N 3.25Å; L91-S94 PolarHBondContact O-OG 3.46Å; L91-K95 WeakPolarHBondContact O-CB 3.17Å; L91-K95 PolarHBondContact O-N 2.96Å |
| 92 | Y | 83.8 | Confident | 82.9 | Confident | 111 Ų | 111 | 75.7 Ų | 75.7 | 44% | 0.435 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -64.4 | -42.8 | 176.9 | -168.6 | -97.3 | 0 | 0 | 0 | 111.6 | Y88 Q89 K95 I96 | Y88-Y92 WeakPolarHBondContact O-CB 3.42Å; Y88-Y92 PolarHBondContact O-N 3.04Å; Q89-Y92 PolarHBondContact O-N 2.88Å; Y92-K95 WeakPolarHBondContact O-CB 3.44Å; Y92-K95 PolarHBondContact O-N 3.46Å; Y92-I96 PolarHBondContact O-N 2.87Å |
| 93 | Q | 82 | Confident | 83.1 | Confident | 19 Ų | 19 | 74.2 Ų | 74.2 | 9% | 0.089 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -68.9 | -36.2 | 176.3 | -65 | -54.5 | 91.7 | 0 | 0 | 113.1 | Q89 I90 K95 I96 F97 I126 I127 Q130 | Q89-Q93 WeakPolarHBondContact O-CG 3.41Å; Q89-Q93 PolarHBondContact O-N 3.44Å; Q89-Q93 VanDerWaalsContact O-N 3.15Å; I90-Q93 PolarHBondContact O-N 3.46Å; Q93-K95 VanDerWaalsContact C-N 3.31Å; Q93-I96 WeakPolarHBondContact O-CG2 3.23Å; Q93-F97 PolarHBondContact O-N 3.45Å; Q93-I126 VanDerWaalsContact NE2-CG2 3.29Å; Q93-I127 HydrophobicContact CB-CG1 4.4Å; Q93-I127 HydrophobicContact CG-CG1 4.02Å; Q93-I127 VanDerWaalsContact NE2-N 3.15Å; Q93-Q130 VanDerWaalsContact CG-NE2 3.26Å |
| 94 | S | 82 | Confident | 83.1 | Confident | 52 Ų | 52 | 73.7 Ų | 73.7 | 36% | 0.364 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -68.1 | -32.9 | 174 | 74.9 | 0 | 0 | 0 | 0 | 111.6 | I90 L91 F97 T98 | I90-S94 PolarHBondContact O-N 2.77Å; L91-S94 WeakPolarHBondContact CA-OG 3.2Å; L91-S94 PolarHBondContact O-N 3.25Å; L91-S94 PolarHBondContact O-OG 3.46Å; S94-F97 WeakPolarHBondContact O-CB 3.19Å; S94-F97 PolarHBondContact O-N 3.46Å; S94-T98 WeakPolarHBondContact O-CG2 3.45Å; S94-T98 PolarHBondContact O-N 3.12Å; S94-T98 PolarHBondContact O-OG1 3.41Å |
| 95 | K | 84.2 | Confident | 83.1 | Confident | 93 Ų | 93 | 74.9 Ų | 74.9 | 40% | 0.404 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -61.3 | -44.4 | 177.8 | -172.5 | -178.2 | 179.7 | -176.3 | 0 | 113.1 | L91 Y92 Q93 F97 T98 T99 | L91-K95 WeakPolarHBondContact O-CB 3.17Å; L91-K95 PolarHBondContact O-N 2.96Å; Y92-K95 WeakPolarHBondContact O-CB 3.44Å; Y92-K95 PolarHBondContact O-N 3.46Å; Q93-K95 VanDerWaalsContact C-N 3.31Å; K95-F97 VanDerWaalsContact C-N 3.31Å; K95-T98 WeakPolarHBondContact CA-OG1 3.18Å; K95-T98 PolarHBondContact O-OG1 3.17Å; K95-T99 WeakPolarHBondContact O-CB 3.27Å; K95-T99 PolarHBondContact O-N 3.2Å; K95-T99 PolarHBondContact O-OG1 2.87Å |
| 96 | I | 83.3 | Confident | 83.2 | Confident | 74 Ų | 74 | 79 Ų | 79 | 38% | 0.379 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -66.4 | -38.2 | 177.1 | -174.2 | 62.1 | 0 | 0 | 0 | 111 | Y92 Q93 T99 A100 | Y92-I96 PolarHBondContact O-N 2.87Å; Q93-I96 WeakPolarHBondContact O-CG2 3.23Å; I96-T99 PolarHBondContact O-N 3.39Å; I96-A100 PolarHBondContact O-N 3.44Å |
| 97 | F | 82.8 | Confident | 83.1 | Confident | 98 Ų | 98 | 81.7 Ų | 81.7 | 43% | 0.43 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -65.4 | -45 | 177.5 | -176.6 | -98.4 | 0 | 0 | 0 | 112.3 | Q93 S94 K95 A100 M101 | Q93-F97 PolarHBondContact O-N 3.45Å; S94-F97 WeakPolarHBondContact O-CB 3.19Å; S94-F97 PolarHBondContact O-N 3.46Å; K95-F97 VanDerWaalsContact C-N 3.31Å; F97-A100 PolarHBondContact O-N 3.45Å; F97-M101 HydrophobicContact CD1-CG 4.41Å; F97-M101 HydrophobicContact CE1-CE 4.27Å; F97-M101 HydrophobicContact CE1-CG 4.02Å; F97-M101 HydrophobicContact CE2-CE 4.15Å; F97-M101 HydrophobicContact CZ-CE 3.64Å; F97-M101 HydrophobicContact CZ-CG 4.26Å; F97-M101 PolarHBondContact O-N 2.92Å |
| 98 | T | 85.7 | Confident | 82.3 | Confident | 61 Ų | 61 | 82.9 Ų | 82.9 | 37% | 0.374 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -65.4 | -40.1 | 177 | 53.8 | 0 | 0 | 0 | 0 | 111.2 | S94 K95 A100 M101 F102 | S94-T98 WeakPolarHBondContact O-CG2 3.45Å; S94-T98 PolarHBondContact O-N 3.12Å; S94-T98 PolarHBondContact O-OG1 3.41Å; K95-T98 WeakPolarHBondContact CA-OG1 3.18Å; K95-T98 PolarHBondContact O-OG1 3.17Å; T98-A100 VanDerWaalsContact C-N 3.3Å; T98-A100 PolarHBondContact O-N 2.83Å; T98-M101 PolarHBondContact O-N 2.9Å; T98-M101 VanDerWaalsContact O-N 3.15Å; T98-F102 WeakPolarHBondContact O-CB 3.35Å; T98-F102 WeakPolarHBondContact O-CD2 3.34Å; T98-F102 PolarHBondContact O-N 3.27Å |
| 99 | T | 86 | Confident | 81.7 | Confident | 79 Ų | 79 | 84.3 Ų | 84.3 | 49% | 0.485 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -58.8 | -42.4 | 175.2 | -54.1 | 0 | 0 | 0 | 0 | 111.5 | K95 I96 F102 M103 | K95-T99 WeakPolarHBondContact O-CB 3.27Å; K95-T99 PolarHBondContact O-N 3.2Å; K95-T99 PolarHBondContact O-OG1 2.87Å; I96-T99 PolarHBondContact O-N 3.39Å; T99-F102 PolarHBondContact O-N 2.96Å; T99-M103 WeakPolarHBondContact O-CB 3.42Å; T99-M103 PolarHBondContact O-N 3.23Å |
| 100 | A | 83.5 | Confident | 80.9 | Confident | 16 Ų | 16 | 90.4 Ų | 90.4 | 13% | 0.132 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -64.1 | -42.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | I96 F97 T98 M103 I104 L119 | I96-A100 PolarHBondContact O-N 3.44Å; F97-A100 PolarHBondContact O-N 3.45Å; T98-A100 VanDerWaalsContact C-N 3.3Å; T98-A100 PolarHBondContact O-N 2.83Å; A100-M103 PolarHBondContact O-N 3.41Å; A100-I104 WeakPolarHBondContact O-CG1 3.38Å; A100-I104 PolarHBondContact O-N 3.21Å; A100-L119 HydrophobicContact CB-CD1 3.87Å; A100-L119 HydrophobicContact CB-CD2 3.77Å; A100-L119 HydrophobicContact CB-CG 4.46Å |
| 101 | M | 83.1 | Confident | 80 | Confident | 65 Ų | 65 | 86.9 Ų | 86.9 | 32% | 0.32 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -63.4 | -45.8 | 175.8 | -78.2 | -68.8 | 167.1 | 0 | 0 | 112.4 | F97 T98 M103 I104 L105 W116 | F97-M101 HydrophobicContact CD1-CG 4.41Å; F97-M101 HydrophobicContact CE1-CE 4.27Å; F97-M101 HydrophobicContact CE1-CG 4.02Å; F97-M101 HydrophobicContact CE2-CE 4.15Å; F97-M101 HydrophobicContact CZ-CE 3.64Å; F97-M101 HydrophobicContact CZ-CG 4.26Å; F97-M101 PolarHBondContact O-N 2.92Å; T98-M101 PolarHBondContact O-N 2.9Å; T98-M101 VanDerWaalsContact O-N 3.15Å; M101-M103 VanDerWaalsContact C-N 3.31Å; M101-M103 PolarHBondContact O-N 3.49Å; M101-I104 PolarHBondContact O-N 3.02Å; M101-L105 WeakPolarHBondContact O-CG 3.49Å; M101-L105 PolarHBondContact O-N 3.46Å; M101-W116 HydrophobicContact CE-CH2 3.68Å; M101-W116 HydrophobicContact CE-CZ2 4.27Å |
| 102 | F | 85.6 | Confident | 79.2 | Confident | 136 Ų | 136 | 91.5 Ų | 91.5 | 60% | 0.596 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -62.4 | -37 | 175.9 | -85.9 | -72.7 | 0 | 0 | 0 | 112.1 | T98 T99 L105 L106 | T98-F102 WeakPolarHBondContact O-CB 3.35Å; T98-F102 WeakPolarHBondContact O-CD2 3.34Å; T98-F102 PolarHBondContact O-N 3.27Å; T99-F102 PolarHBondContact O-N 2.96Å; F102-L105 PolarHBondContact O-N 3.3Å; F102-L106 WeakPolarHBondContact O-CB 3.3Å; F102-L106 PolarHBondContact O-N 3.07Å |
| 103 | M | 83.3 | Confident | 78.6 | Confident | 94 Ų | 94 | 91 Ų | 91 | 46% | 0.463 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -61.4 | -44 | 175.4 | -175 | -177.4 | -176.3 | 0 | 0 | 111.9 | T99 A100 M101 L107 | T99-M103 WeakPolarHBondContact O-CB 3.42Å; T99-M103 PolarHBondContact O-N 3.23Å; A100-M103 PolarHBondContact O-N 3.41Å; M101-M103 VanDerWaalsContact C-N 3.31Å; M101-M103 PolarHBondContact O-N 3.49Å; M103-L107 VanDerWaalsContact O-CB 3.26Å; M103-L107 WeakPolarHBondContact O-CB 3.44Å; M103-L107 PolarHBondContact O-N 3.36Å; M103-L107 VanDerWaalsContact O-N 3.12Å |
| 104 | I | 82.5 | Confident | 78.5 | Confident | 41 Ų | 41 | 94 Ų | 94 | 21% | 0.21 | 48% | 0.481 | C | S | . | . | H | α-helix | trans | -66.8 | -43.3 | 177.9 | -63.1 | 166.1 | 0 | 0 | 0 | 110.6 | A100 M101 N108 L111 W116 | A100-I104 WeakPolarHBondContact O-CG1 3.38Å; A100-I104 PolarHBondContact O-N 3.21Å; M101-I104 PolarHBondContact O-N 3.02Å; I104-N108 WeakPolarHBondContact O-CA 3.39Å; I104-N108 PolarHBondContact O-N 2.68Å; I104-L111 HydrophobicContact CD1-CD1 4.07Å; I104-L111 HydrophobicContact CG1-CD1 3.81Å; I104-L111 HydrophobicContact CG1-CG 4.46Å; I104-W116 HydrophobicContact CD1-CZ2 3.65Å |
| 105 | L | 82.7 | Confident | 78.3 | Confident | 132 Ų | 132 | 95.6 Ų | 95.6 | 69% | 0.691 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -70.6 | -46 | -178 | -70.6 | 170.8 | 0 | 0 | 0 | 113.2 | M101 F102 | M101-L105 WeakPolarHBondContact O-CG 3.49Å; M101-L105 PolarHBondContact O-N 3.46Å; F102-L105 PolarHBondContact O-N 3.3Å |
| 106 | L | 80.1 | Confident | 78.1 | Confident | 149 Ų | 149 | 95.6 Ų | 95.6 | 78% | 0.78 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -80.5 | -46.1 | -172.9 | -168.3 | 159.6 | 0 | 0 | 0 | 111.8 | F102 N108 | F102-L106 WeakPolarHBondContact O-CB 3.3Å; F102-L106 PolarHBondContact O-N 3.07Å; L106-N108 VanDerWaalsContact C-N 3.27Å |
| 107 | L | 77.7 | Confident | 78 | Confident | 111 Ų | 111 | 98.6 Ų | 98.6 | 58% | 0.581 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -82.8 | -10 | -179.1 | -160.9 | 60.1 | 0 | 0 | 0 | 112.1 | M103 H109 | M103-L107 VanDerWaalsContact O-CB 3.26Å; M103-L107 WeakPolarHBondContact O-CB 3.44Å; M103-L107 PolarHBondContact O-N 3.36Å; M103-L107 VanDerWaalsContact O-N 3.12Å; L107-H109 HydrophobicContact CB-CB 4.12Å; L107-H109 HydrophobicContact CD2-CB 3.99Å; L107-H109 HydrophobicContact CG-CB 3.99Å; L107-H109 PolarHBondContact O-N 2.95Å |
| 108 | N | 68.1 | Low | 78.1 | Confident | 120 Ų | 120 | 97.4 Ų | 97.4 | 64% | 0.642 | 49% | 0.494 | S | S | * | . | trans | 46.6 | 27.3 | -171.4 | -140.7 | -11.3 | 0 | 0 | 0 | 112.5 | I104 L106 H110 | I104-N108 WeakPolarHBondContact O-CA 3.39Å; I104-N108 PolarHBondContact O-N 2.68Å; L106-N108 VanDerWaalsContact C-N 3.27Å; N108-H110 PolarHBondContact O-N 3.47Å | ||
| 109 | H | 70 | Confident | 77.9 | Confident | 87 Ų | 87 | 97.2 Ų | 97.2 | 40% | 0.403 | 49% | 0.491 | S | S | . | . | trans | -81.6 | 107.6 | -175.4 | -175.4 | -80.8 | 0 | 0 | 0 | 107.1 | L107 L111 | L107-H109 HydrophobicContact CB-CB 4.12Å; L107-H109 HydrophobicContact CD2-CB 3.99Å; L107-H109 HydrophobicContact CG-CB 3.99Å; L107-H109 PolarHBondContact O-N 2.95Å; H109-L111 VanDerWaalsContact C-N 3.3Å; H109-L111 PolarHBondContact O-N 2.95Å | ||
| 110 | H | 63.3 | Low | 77.8 | Confident | 167 Ų | 167 | 97.1 Ų | 97.1 | 77% | 0.773 | 49% | 0.487 | S | S | * | . | trans | -64.9 | 91.6 | 173.8 | -73.6 | -73.3 | 0 | 0 | 0 | 109.6 | N108 R112 | N108-H110 PolarHBondContact O-N 3.47Å; H110-R112 PolarHBondContact O-N 3.44Å | ||
| 111 | L | 65.1 | Low | 78 | Confident | 30 Ų | 30 | 101.4 Ų | 101.4 | 16% | 0.157 | 51% | 0.507 | C | S | . | . | trans | -60 | 124.2 | 169 | -69.6 | 171.2 | 0 | 0 | 0 | 108.1 | I104 H109 Q115 | I104-L111 HydrophobicContact CD1-CD1 4.07Å; I104-L111 HydrophobicContact CG1-CD1 3.81Å; I104-L111 HydrophobicContact CG1-CG 4.46Å; H109-L111 VanDerWaalsContact C-N 3.3Å; H109-L111 PolarHBondContact O-N 2.95Å; L111-Q115 VanDerWaalsContact CA-OE1 3.27Å; L111-Q115 HydrophobicContact CB-CB 4.22Å; L111-Q115 HydrophobicContact CD2-CB 4.29Å; L111-Q115 VanDerWaalsContact CD2-OE1 3.25Å | ||
| 112 | R | 68.7 | Low | 78 | Confident | 186 Ų | 186 | 103.5 Ų | 103.5 | 70% | 0.702 | 52% | 0.519 | S | S | * | . | trans | -56.1 | 145 | 176.8 | -155.2 | 174.3 | -153.1 | -114.1 | 2.8 | 108.5 | H110 T114 Q115 W116 | H110-R112 PolarHBondContact O-N 3.44Å; R112-T114 PolarHBondContact O-N 3.33Å; R112-Q115 HydrophobicContact CB-CG 4.4Å; R112-Q115 WeakPolarHBondContact O-CA 3.45Å; R112-Q115 WeakPolarHBondContact O-CB 3.45Å; R112-Q115 PolarHBondContact O-N 3.37Å; R112-W116 PolarHBondContact O-N 2.91Å | ||
| 113 | S | 71.1 | Confident | 77.9 | Confident | 102 Ų | 102 | 97.8 Ų | 97.8 | 71% | 0.713 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -53 | -29.1 | -178.3 | -172.8 | 0 | 0 | 0 | 0 | 113.2 | W116 F117 | S113-W116 VanDerWaalsContact O-CB 3.28Å; S113-W116 WeakPolarHBondContact O-CB 3.18Å; S113-W116 PolarHBondContact O-N 3.06Å; S113-F117 PolarHBondContact O-N 3.29Å |
| 114 | T | 79 | Confident | 78 | Confident | 81 Ų | 81 | 96.7 Ų | 96.7 | 50% | 0.497 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -65.5 | -35.7 | 172.1 | 53.8 | 0 | 0 | 0 | 0 | 114.2 | R112 F117 S118 | R112-T114 PolarHBondContact O-N 3.33Å; T114-F117 PolarHBondContact O-N 2.99Å; T114-S118 PolarHBondContact O-N 3.36Å; T114-S118 PolarHBondContact O-OG 3.18Å |
| 115 | Q | 78.2 | Confident | 78.1 | Confident | 86 Ų | 86 | 96.3 Ų | 96.3 | 40% | 0.402 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -71 | -37 | 174.2 | -66.6 | 173.8 | -36.5 | 0 | 0 | 110.6 | L111 R112 S118 L119 | L111-Q115 VanDerWaalsContact CA-OE1 3.27Å; L111-Q115 HydrophobicContact CB-CB 4.22Å; L111-Q115 HydrophobicContact CD2-CB 4.29Å; L111-Q115 VanDerWaalsContact CD2-OE1 3.25Å; R112-Q115 HydrophobicContact CB-CG 4.4Å; R112-Q115 WeakPolarHBondContact O-CA 3.45Å; R112-Q115 WeakPolarHBondContact O-CB 3.45Å; R112-Q115 PolarHBondContact O-N 3.37Å; Q115-S118 WeakPolarHBondContact O-CB 3.37Å; Q115-S118 PolarHBondContact O-N 3.42Å; Q115-L119 WeakPolarHBondContact O-CB 3.17Å; Q115-L119 PolarHBondContact O-N 3.39Å |
| 116 | W | 80.8 | Confident | 78.1 | Confident | 92 Ų | 92 | 92.2 Ų | 92.2 | 35% | 0.348 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -57.6 | -47.9 | 170.3 | -103.6 | 91.8 | 0 | 0 | 0 | 111.9 | M101 I104 R112 S113 S118 L119 L120 | M101-W116 HydrophobicContact CE-CH2 3.68Å; M101-W116 HydrophobicContact CE-CZ2 4.27Å; I104-W116 HydrophobicContact CD1-CZ2 3.65Å; R112-W116 PolarHBondContact O-N 2.91Å; S113-W116 VanDerWaalsContact O-CB 3.28Å; S113-W116 WeakPolarHBondContact O-CB 3.18Å; S113-W116 PolarHBondContact O-N 3.06Å; W116-S118 VanDerWaalsContact C-N 3.32Å; W116-S118 PolarHBondContact O-N 2.94Å; W116-L119 PolarHBondContact O-N 2.97Å; W116-L120 HydrophobicContact CE3-CD1 4.01Å; W116-L120 HydrophobicContact CE3-CG 4.11Å; W116-L120 HydrophobicContact CZ3-CD1 4.45Å; W116-L120 HydrophobicContact CZ3-CD2 4.42Å; W116-L120 HydrophobicContact CZ3-CG 4.48Å; W116-L120 WeakPolarHBondContact O-CB 3.42Å; W116-L120 WeakPolarHBondContact O-CG 3.2Å; W116-L120 PolarHBondContact O-N 3.26Å |
| 117 | F | 80.8 | Confident | 78.2 | Confident | 138 Ų | 138 | 88.7 Ų | 88.7 | 61% | 0.605 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -60.4 | -43.6 | 175.9 | -173.9 | -99.8 | 0 | 0 | 0 | 111.7 | S113 T114 L119 L120 L121 | S113-F117 PolarHBondContact O-N 3.29Å; T114-F117 PolarHBondContact O-N 2.99Å; F117-L119 VanDerWaalsContact C-N 3.3Å; F117-L119 PolarHBondContact O-N 3.18Å; F117-L120 PolarHBondContact O-N 3.38Å; F117-L121 HydrophobicContact CE1-CD2 4.28Å; F117-L121 WeakPolarHBondContact O-CB 3.25Å; F117-L121 PolarHBondContact O-N 3.43Å |
| 118 | S | 84.5 | Confident | 78.6 | Confident | 72 Ų | 72 | 89 Ų | 89 | 50% | 0.503 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -60.6 | -41.1 | 177.1 | -55.7 | 0 | 0 | 0 | 0 | 111.8 | T114 Q115 W116 L121 L122 | T114-S118 PolarHBondContact O-N 3.36Å; T114-S118 PolarHBondContact O-OG 3.18Å; Q115-S118 WeakPolarHBondContact O-CB 3.37Å; Q115-S118 PolarHBondContact O-N 3.42Å; W116-S118 VanDerWaalsContact C-N 3.32Å; W116-S118 PolarHBondContact O-N 2.94Å; S118-L121 PolarHBondContact O-N 3.15Å; S118-L122 VanDerWaalsContact O-CB 3.27Å; S118-L122 WeakPolarHBondContact O-CB 3.33Å; S118-L122 PolarHBondContact O-N 2.99Å |
| 119 | L | 82.5 | Confident | 79.2 | Confident | 58 Ų | 58 | 86.9 Ų | 86.9 | 30% | 0.304 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -71.5 | -41.8 | -179.4 | -160.8 | 149.7 | 0 | 0 | 0 | 111.8 | A100 Q115 W116 F117 L122 S123 | A100-L119 HydrophobicContact CB-CD1 3.87Å; A100-L119 HydrophobicContact CB-CD2 3.77Å; A100-L119 HydrophobicContact CB-CG 4.46Å; Q115-L119 WeakPolarHBondContact O-CB 3.17Å; Q115-L119 PolarHBondContact O-N 3.39Å; W116-L119 PolarHBondContact O-N 2.97Å; F117-L119 VanDerWaalsContact C-N 3.3Å; F117-L119 PolarHBondContact O-N 3.18Å; L119-L122 PolarHBondContact O-N 3.48Å; L119-S123 VanDerWaalsContact O-CB 3.3Å; L119-S123 WeakPolarHBondContact O-CB 3.15Å; L119-S123 PolarHBondContact O-N 3.02Å |
| 120 | L | 83.5 | Confident | 79.7 | Confident | 77 Ų | 77 | 83.9 Ų | 83.9 | 40% | 0.403 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -63.9 | -42.6 | 173 | -73.5 | 175.1 | 0 | 0 | 0 | 111.6 | W116 F117 S123 T124 | W116-L120 HydrophobicContact CE3-CD1 4.01Å; W116-L120 HydrophobicContact CE3-CG 4.11Å; W116-L120 HydrophobicContact CZ3-CD1 4.45Å; W116-L120 HydrophobicContact CZ3-CD2 4.42Å; W116-L120 HydrophobicContact CZ3-CG 4.48Å; W116-L120 WeakPolarHBondContact O-CB 3.42Å; W116-L120 WeakPolarHBondContact O-CG 3.2Å; W116-L120 PolarHBondContact O-N 3.26Å; F117-L120 PolarHBondContact O-N 3.38Å; L120-S123 PolarHBondContact O-N 3.24Å; L120-T124 VanDerWaalsContact O-CB 3.29Å; L120-T124 WeakPolarHBondContact O-CB 3.29Å; L120-T124 PolarHBondContact O-N 2.98Å; L120-T124 PolarHBondContact O-OG1 3.01Å |
| 121 | L | 86.8 | Confident | 80.3 | Confident | 105 Ų | 105 | 79.4 Ų | 79.4 | 55% | 0.55 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -62.5 | -44.9 | 177.2 | -173.9 | 69.2 | 0 | 0 | 0 | 110.9 | F117 S118 T124 G125 | F117-L121 HydrophobicContact CE1-CD2 4.28Å; F117-L121 WeakPolarHBondContact O-CB 3.25Å; F117-L121 PolarHBondContact O-N 3.43Å; S118-L121 PolarHBondContact O-N 3.15Å; L121-T124 PolarHBondContact O-N 3.4Å; L121-G125 PolarHBondContact O-N 3.5Å |
| 122 | L | 83.9 | Confident | 81.1 | Confident | 109 Ų | 109 | 81.4 Ų | 81.4 | 57% | 0.571 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -63.5 | -48.4 | 177.2 | -158.6 | 167.3 | 0 | 0 | 0 | 110.7 | S118 L119 T124 G125 I126 | S118-L122 VanDerWaalsContact O-CB 3.27Å; S118-L122 WeakPolarHBondContact O-CB 3.33Å; S118-L122 PolarHBondContact O-N 2.99Å; L119-L122 PolarHBondContact O-N 3.48Å; L122-T124 PolarHBondContact O-N 3.06Å; L122-G125 PolarHBondContact O-N 3.39Å; L122-I126 HydrophobicContact CD2-CD1 3.37Å; L122-I126 HydrophobicContact CD2-CG1 3.96Å; L122-I126 WeakPolarHBondContact O-CG1 3.45Å; L122-I126 PolarHBondContact O-N 2.99Å |
| 123 | S | 83.1 | Confident | 81.5 | Confident | 16 Ų | 16 | 78.1 Ų | 78.1 | 11% | 0.112 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -57.9 | -48.5 | 176.3 | -176.6 | 0 | 0 | 0 | 0 | 111.7 | L119 L120 G125 I126 I127 | L119-S123 VanDerWaalsContact O-CB 3.3Å; L119-S123 WeakPolarHBondContact O-CB 3.15Å; L119-S123 PolarHBondContact O-N 3.02Å; L120-S123 PolarHBondContact O-N 3.24Å; S123-G125 VanDerWaalsContact C-N 3.32Å; S123-G125 PolarHBondContact O-N 3.44Å; S123-I126 PolarHBondContact O-N 3.35Å; S123-I127 WeakPolarHBondContact O-CG1 3.41Å; S123-I127 PolarHBondContact O-N 3.46Å |
| 124 | T | 85.4 | Confident | 81.7 | Confident | 71 Ų | 71 | 75.9 Ų | 75.9 | 44% | 0.436 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -59.7 | -43 | 176.8 | -55.7 | 0 | 0 | 0 | 0 | 111.3 | L120 L121 L122 I126 I127 L128 | L120-T124 VanDerWaalsContact O-CB 3.29Å; L120-T124 WeakPolarHBondContact O-CB 3.29Å; L120-T124 PolarHBondContact O-N 2.98Å; L120-T124 PolarHBondContact O-OG1 3.01Å; L121-T124 PolarHBondContact O-N 3.4Å; L122-T124 PolarHBondContact O-N 3.06Å; T124-I126 PolarHBondContact O-N 3.03Å; T124-I127 PolarHBondContact O-N 3.49Å; T124-L128 HydrophobicContact CG2-CD1 4.08Å; T124-L128 HydrophobicContact CG2-CG 4.4Å; T124-L128 WeakPolarHBondContact O-CG 3.5Å; T124-L128 PolarHBondContact O-N 3.18Å |
| 125 | G | 85.1 | Confident | 81.5 | Confident | 33 Ų | 33 | 80.7 Ų | 80.7 | 34% | 0.34 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -57.7 | -45.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | L121 L122 S123 L128 T129 | L121-G125 PolarHBondContact O-N 3.5Å; L122-G125 PolarHBondContact O-N 3.39Å; S123-G125 VanDerWaalsContact C-N 3.32Å; S123-G125 PolarHBondContact O-N 3.44Å; G125-L128 PolarHBondContact O-N 2.81Å; G125-T129 WeakPolarHBondContact O-CG2 3.48Å; G125-T129 PolarHBondContact O-N 3.43Å; G125-T129 VanDerWaalsContact O-N 3.12Å; G125-T129 PolarHBondContact O-OG1 3.5Å |
| 126 | I | 82.9 | Confident | 81.5 | Confident | 46 Ų | 46 | 78.7 Ų | 78.7 | 24% | 0.236 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -65 | -43.6 | 175.7 | -57.5 | 164.4 | 0 | 0 | 0 | 110.5 | Q93 L122 S123 T124 L128 T129 Q130 | Q93-I126 VanDerWaalsContact NE2-CG2 3.29Å; L122-I126 HydrophobicContact CD2-CD1 3.37Å; L122-I126 HydrophobicContact CD2-CG1 3.96Å; L122-I126 WeakPolarHBondContact O-CG1 3.45Å; L122-I126 PolarHBondContact O-N 2.99Å; S123-I126 PolarHBondContact O-N 3.35Å; T124-I126 PolarHBondContact O-N 3.03Å; I126-L128 VanDerWaalsContact C-N 3.32Å; I126-L128 PolarHBondContact O-N 3.04Å; I126-T129 PolarHBondContact O-N 3.44Å; I126-T129 PolarHBondContact O-OG1 3.15Å; I126-Q130 HydrophobicContact CG2-CG 4.03Å; I126-Q130 WeakPolarHBondContact O-CB 3.38Å; I126-Q130 WeakPolarHBondContact O-CG 3.21Å; I126-Q130 PolarHBondContact O-N 3.44Å |
| 127 | I | 82.3 | Confident | 81.1 | Confident | 76 Ų | 76 | 78.2 Ų | 78.2 | 39% | 0.39 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -59.4 | -45.8 | 179.3 | -62.8 | 171 | 0 | 0 | 0 | 110.4 | Q93 S123 T124 Q130 V131 | Q93-I127 HydrophobicContact CB-CG1 4.4Å; Q93-I127 HydrophobicContact CG-CG1 4.02Å; Q93-I127 VanDerWaalsContact NE2-N 3.15Å; S123-I127 WeakPolarHBondContact O-CG1 3.41Å; S123-I127 PolarHBondContact O-N 3.46Å; T124-I127 PolarHBondContact O-N 3.49Å; I127-Q130 PolarHBondContact O-N 3.15Å; I127-V131 HydrophobicContact CG2-CG2 4.34Å; I127-V131 WeakPolarHBondContact O-CG2 3.42Å; I127-V131 PolarHBondContact O-N 3.25Å |
| 128 | L | 84.6 | Confident | 80.8 | Confident | 118 Ų | 118 | 74.4 Ų | 74.4 | 62% | 0.618 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -62.6 | -46.6 | -178.7 | -74.8 | 172.2 | 0 | 0 | 0 | 112.3 | T124 G125 I126 Q130 V131 S132 | T124-L128 HydrophobicContact CG2-CD1 4.08Å; T124-L128 HydrophobicContact CG2-CG 4.4Å; T124-L128 WeakPolarHBondContact O-CG 3.5Å; T124-L128 PolarHBondContact O-N 3.18Å; G125-L128 PolarHBondContact O-N 2.81Å; I126-L128 VanDerWaalsContact C-N 3.32Å; I126-L128 PolarHBondContact O-N 3.04Å; L128-Q130 VanDerWaalsContact C-N 3.29Å; L128-Q130 PolarHBondContact O-N 3.38Å; L128-V131 PolarHBondContact O-N 3.41Å; L128-S132 PolarHBondContact O-N 2.93Å; L128-S132 VanDerWaalsContact O-N 3.07Å; L128-S132 PolarHBondContact O-OG 3.41Å |
| 129 | T | 81.9 | Confident | 80.3 | Confident | 74 Ų | 74 | 74 Ų | 74 | 45% | 0.454 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -63.9 | -40.1 | 178.1 | 56.7 | 0 | 0 | 0 | 0 | 110.9 | G125 I126 S132 Q133 | G125-T129 WeakPolarHBondContact O-CG2 3.48Å; G125-T129 PolarHBondContact O-N 3.43Å; G125-T129 VanDerWaalsContact O-N 3.12Å; G125-T129 PolarHBondContact O-OG1 3.5Å; I126-T129 PolarHBondContact O-N 3.44Å; I126-T129 PolarHBondContact O-OG1 3.15Å; T129-S132 PolarHBondContact O-N 3.16Å; T129-S132 PolarHBondContact O-OG 2.96Å; T129-Q133 WeakPolarHBondContact O-CG 3.35Å; T129-Q133 PolarHBondContact O-N 3.48Å |
| 130 | Q | 80.1 | Confident | 79.6 | Confident | 24 Ų | 24 | 76.4 Ų | 76.4 | 11% | 0.112 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -67.2 | -39 | -179.9 | -77.2 | -146.2 | 130.4 | 0 | 0 | 113.9 | Q89 Q93 I126 I127 L128 H134 | Q89-Q130 HydrophobicContact CG-CB 3.81Å; Q89-Q130 HydrophobicContact CG-CG 4.33Å; Q89-Q130 PolarHBondContact NE2-O 3.38Å; Q89-Q130 VanDerWaalsContact NE2-OE1 3.09Å; Q93-Q130 VanDerWaalsContact CG-NE2 3.26Å; I126-Q130 HydrophobicContact CG2-CG 4.03Å; I126-Q130 WeakPolarHBondContact O-CB 3.38Å; I126-Q130 WeakPolarHBondContact O-CG 3.21Å; I126-Q130 PolarHBondContact O-N 3.44Å; I127-Q130 PolarHBondContact O-N 3.15Å; L128-Q130 VanDerWaalsContact C-N 3.29Å; L128-Q130 PolarHBondContact O-N 3.38Å; Q130-H134 PolarHBondContact O-N 2.82Å; Q130-H134 VanDerWaalsContact O-N 3.15Å |
| 131 | V | 77 | Confident | 79 | Confident | 74 Ų | 74 | 77.6 Ų | 77.6 | 45% | 0.448 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -67.5 | -40.8 | 173.2 | 171.3 | 0 | 0 | 0 | 0 | 111.1 | I127 L128 Q133 H134 R135 | I127-V131 HydrophobicContact CG2-CG2 4.34Å; I127-V131 WeakPolarHBondContact O-CG2 3.42Å; I127-V131 PolarHBondContact O-N 3.25Å; L128-V131 PolarHBondContact O-N 3.41Å; V131-Q133 PolarHBondContact O-N 2.8Å; V131-H134 PolarHBondContact O-N 3.39Å; V131-R135 HydrophobicContact CG1-CG 4.47Å; V131-R135 WeakPolarHBondContact O-CG 3.49Å; V131-R135 PolarHBondContact O-N 3.27Å |
| 132 | S | 80.4 | Confident | 78.2 | Confident | 71 Ų | 71 | 78.8 Ų | 78.8 | 50% | 0.497 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -63.4 | -41.4 | 179.5 | 72.4 | 0 | 0 | 0 | 0 | 112.3 | L128 T129 R135 A136 | L128-S132 PolarHBondContact O-N 2.93Å; L128-S132 VanDerWaalsContact O-N 3.07Å; L128-S132 PolarHBondContact O-OG 3.41Å; T129-S132 PolarHBondContact O-N 3.16Å; T129-S132 PolarHBondContact O-OG 2.96Å; S132-R135 PolarHBondContact O-N 2.85Å; S132-A136 WeakPolarHBondContact O-CB 3.38Å; S132-A136 PolarHBondContact O-N 3.29Å |
| 133 | Q | 78.5 | Confident | 77.3 | Confident | 117 Ų | 117 | 79.3 Ų | 79.3 | 55% | 0.547 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -64.1 | -45.9 | 175.5 | -74.2 | 177.1 | -11.8 | 0 | 0 | 111.6 | T129 V131 R135 A136 V137 | T129-Q133 WeakPolarHBondContact O-CG 3.35Å; T129-Q133 PolarHBondContact O-N 3.48Å; V131-Q133 PolarHBondContact O-N 2.8Å; Q133-R135 VanDerWaalsContact C-N 3.34Å; Q133-R135 PolarHBondContact O-N 3.14Å; Q133-A136 PolarHBondContact O-N 3.46Å; Q133-V137 WeakPolarHBondContact O-CG2 3.33Å; Q133-V137 PolarHBondContact O-N 2.96Å |
| 134 | H | 74.5 | Confident | 76.6 | Confident | 56 Ų | 56 | 85.6 Ų | 85.6 | 26% | 0.259 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -62.1 | -41.1 | 177.8 | -174.1 | 63.9 | 0 | 0 | 0 | 112.1 | V86 Q130 V131 V137 N138 | V86-H134 WeakPolarHBondContact CG2-CE1 3.34Å; V86-H134 VanDerWaalsContact CG2-NE2 3.34Å; V86-H134 WeakPolarHBondContact CG2-NE2 3.31Å; Q130-H134 PolarHBondContact O-N 2.82Å; Q130-H134 VanDerWaalsContact O-N 3.15Å; V131-H134 PolarHBondContact O-N 3.39Å; H134-V137 PolarHBondContact O-N 3.1Å; H134-N138 PolarHBondContact CD2-ND2 3.12Å; H134-N138 PolarHBondContact CE1-OD1 3.41Å; H134-N138 PolarHBondContact NE2-ND2 3.49Å; H134-N138 VanDerWaalsContact O-CG 3.3Å; H134-N138 PolarHBondContact O-N 2.98Å; H134-N138 PolarHBondContact O-OD1 3.31Å |
| 135 | R | 75.6 | Confident | 74.7 | Confident | 181 Ų | 181 | 85.5 Ų | 85.5 | 68% | 0.683 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -63.8 | -41.2 | 174.2 | -72 | -151.7 | -156.8 | -136.1 | 9.7 | 112.8 | V131 S132 Q133 N138 S139 | V131-R135 HydrophobicContact CG1-CG 4.47Å; V131-R135 WeakPolarHBondContact O-CG 3.49Å; V131-R135 PolarHBondContact O-N 3.27Å; S132-R135 PolarHBondContact O-N 2.85Å; Q133-R135 VanDerWaalsContact C-N 3.34Å; Q133-R135 PolarHBondContact O-N 3.14Å; R135-N138 PolarHBondContact O-N 3.31Å; R135-S139 WeakPolarHBondContact O-CB 3.48Å; R135-S139 PolarHBondContact O-N 3.13Å; R135-S139 PolarHBondContact O-OG 3.31Å |
| 136 | A | 77 | Confident | 72.8 | Confident | 45 Ų | 45 | 95.7 Ų | 95.7 | 37% | 0.372 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.2 | -41.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | S132 Q133 S139 I140 | S132-A136 WeakPolarHBondContact O-CB 3.38Å; S132-A136 PolarHBondContact O-N 3.29Å; Q133-A136 PolarHBondContact O-N 3.46Å; A136-S139 WeakPolarHBondContact CA-OG 3.28Å; A136-S139 PolarHBondContact O-N 2.88Å; A136-S139 PolarHBondContact O-OG 2.95Å; A136-I140 WeakPolarHBondContact O-CD1 3.39Å; A136-I140 WeakPolarHBondContact O-CG1 3.46Å; A136-I140 PolarHBondContact O-N 3.45Å |
| 137 | V | 73.2 | Confident | 72.3 | Confident | 81 Ų | 81 | 98.2 Ų | 98.2 | 49% | 0.491 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -63.7 | -47.7 | 174.5 | 175.8 | 0 | 0 | 0 | 0 | 110.7 | Q133 H134 S139 I140 Q141 | Q133-V137 WeakPolarHBondContact O-CG2 3.33Å; Q133-V137 PolarHBondContact O-N 2.96Å; H134-V137 PolarHBondContact O-N 3.1Å; V137-S139 VanDerWaalsContact C-N 3.32Å; V137-S139 PolarHBondContact O-N 3.2Å; V137-I140 PolarHBondContact O-N 3.31Å; V137-Q141 PolarHBondContact O-N 3.41Å |
| 138 | N | 74.2 | Confident | 71.7 | Confident | 59 Ų | 59 | 99.3 Ų | 99.3 | 32% | 0.316 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -62.3 | -38.8 | 177.8 | -68.5 | -1.7 | 0 | 0 | 0 | 111.9 | H134 R135 I140 Q141 I142 | H134-N138 PolarHBondContact CD2-ND2 3.12Å; H134-N138 PolarHBondContact CE1-OD1 3.41Å; H134-N138 PolarHBondContact NE2-ND2 3.49Å; H134-N138 VanDerWaalsContact O-CG 3.3Å; H134-N138 PolarHBondContact O-N 2.98Å; H134-N138 PolarHBondContact O-OD1 3.31Å; R135-N138 PolarHBondContact O-N 3.31Å; N138-I140 VanDerWaalsContact C-N 3.33Å; N138-I140 PolarHBondContact O-N 2.96Å; N138-Q141 PolarHBondContact O-N 3Å; N138-I142 VanDerWaalsContact O-CG1 3.29Å; N138-I142 WeakPolarHBondContact O-CG1 3.46Å; N138-I142 PolarHBondContact O-N 3.07Å |
| 139 | S | 73.8 | Confident | 71 | Confident | 62 Ų | 62 | 98.3 Ų | 98.3 | 43% | 0.434 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -67.9 | -33.8 | 177.3 | 66.2 | 0 | 0 | 0 | 0 | 112.2 | R135 A136 V137 I142 C143 | R135-S139 WeakPolarHBondContact O-CB 3.48Å; R135-S139 PolarHBondContact O-N 3.13Å; R135-S139 PolarHBondContact O-OG 3.31Å; A136-S139 WeakPolarHBondContact CA-OG 3.28Å; A136-S139 PolarHBondContact O-N 2.88Å; A136-S139 PolarHBondContact O-OG 2.95Å; V137-S139 VanDerWaalsContact C-N 3.32Å; V137-S139 PolarHBondContact O-N 3.2Å; S139-I142 PolarHBondContact O-N 2.89Å; S139-C143 PolarHBondContact O-N 3.18Å |
| 140 | I | 68.6 | Low | 70.4 | Confident | 109 Ų | 109 | 99.7 Ų | 99.7 | 56% | 0.559 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -65.4 | -42.1 | 171.7 | -68.2 | 161.6 | 0 | 0 | 0 | 110.5 | A136 V137 N138 C143 M144 | A136-I140 WeakPolarHBondContact O-CD1 3.39Å; A136-I140 WeakPolarHBondContact O-CG1 3.46Å; A136-I140 PolarHBondContact O-N 3.45Å; V137-I140 PolarHBondContact O-N 3.31Å; N138-I140 VanDerWaalsContact C-N 3.33Å; N138-I140 PolarHBondContact O-N 2.96Å; I140-C143 PolarHBondContact O-N 2.96Å; I140-M144 HydrophobicContact CG2-CG 4.4Å; I140-M144 WeakPolarHBondContact O-CB 3.37Å; I140-M144 VanDerWaalsContact O-CG 3.25Å; I140-M144 WeakPolarHBondContact O-CG 3.29Å; I140-M144 PolarHBondContact O-N 2.83Å |
| 141 | Q | 69.2 | Low | 69.8 | Low | 102 Ų | 102 | 104.4 Ų | 104.4 | 48% | 0.477 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -61.1 | -43.6 | 175.2 | -100.7 | 176.7 | -80.7 | 0 | 0 | 112.6 | V137 N138 C143 M144 G145 Y146 | V137-Q141 PolarHBondContact O-N 3.41Å; N138-Q141 PolarHBondContact O-N 3Å; Q141-C143 PolarHBondContact O-N 2.72Å; Q141-M144 CarbonylContact O-C 3.5Å; Q141-M144 PolarHBondContact O-N 3.21Å; Q141-M144 VanDerWaalsContact O-N 3.14Å; Q141-G145 PolarHBondContact O-N 2.83Å; Q141-G145 VanDerWaalsContact O-N 3.12Å; Q141-Y146 PolarHBondContact O-N 3.31Å |
| 142 | I | 70 | Confident | 69.3 | Low | 131 Ų | 131 | 106.5 Ų | 106.5 | 67% | 0.672 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -65 | -39.5 | 178.7 | -64.2 | 164.7 | 0 | 0 | 0 | 111.5 | N138 S139 M144 G145 | N138-I142 VanDerWaalsContact O-CG1 3.29Å; N138-I142 WeakPolarHBondContact O-CG1 3.46Å; N138-I142 PolarHBondContact O-N 3.07Å; S139-I142 PolarHBondContact O-N 2.89Å; I142-M144 VanDerWaalsContact C-N 3.32Å; I142-M144 PolarHBondContact O-N 2.93Å; I142-G145 PolarHBondContact O-N 2.87Å |
| 143 | C | 66.2 | Low | 68.5 | Low | 120 Ų | 120 | 109 Ų | 109 | 81% | 0.811 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -69.1 | -27.8 | 173.7 | -80.8 | 0 | 0 | 0 | 0 | 113.5 | S139 I140 Q141 G145 | S139-C143 PolarHBondContact O-N 3.18Å; I140-C143 PolarHBondContact O-N 2.96Å; Q141-C143 PolarHBondContact O-N 2.72Å; C143-G145 VanDerWaalsContact C-N 3.29Å |
| 144 | M | 67.8 | Low | 67.7 | Low | 148 Ų | 148 | 108.4 Ų | 108.4 | 73% | 0.729 | 58% | 0.575 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.8 | 2.3 | 175.9 | -66.4 | -67.9 | -69.8 | 0 | 0 | 113.1 | I140 Q141 I142 | I140-M144 HydrophobicContact CG2-CG 4.4Å; I140-M144 WeakPolarHBondContact O-CB 3.37Å; I140-M144 VanDerWaalsContact O-CG 3.25Å; I140-M144 WeakPolarHBondContact O-CG 3.29Å; I140-M144 PolarHBondContact O-N 2.83Å; Q141-M144 CarbonylContact O-C 3.5Å; Q141-M144 PolarHBondContact O-N 3.21Å; Q141-M144 VanDerWaalsContact O-N 3.14Å; I142-M144 VanDerWaalsContact C-N 3.32Å; I142-M144 PolarHBondContact O-N 2.93Å |
| 145 | G | 46.1 | Very low | 67.2 | Low | 68 Ų | 68 | 112.8 Ų | 112.8 | 70% | 0.701 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 72.8 | 35.8 | 171.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | Q141 I142 C143 | Q141-G145 PolarHBondContact O-N 2.83Å; Q141-G145 VanDerWaalsContact O-N 3.12Å; I142-G145 PolarHBondContact O-N 2.87Å; C143-G145 VanDerWaalsContact C-N 3.29Å |
| 146 | Y | 44.3 | Very low | 66.4 | Low | 247 Ų | 247 | 106.5 Ų | 106.5 | 97% | 0.969 | 59% | 0.594 | S | S | * | * | trans | -109.9 | 0 | 166.7 | -90 | -85.4 | 0 | 0 | 0 | 111.6 | Q141 | Q141-Y146 PolarHBondContact O-N 3.31Š|
Retrieved 146 of 146 residues in 91.2 ms
(Link to these results)