| 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 | 49.1 | Very low | 82.9 | Confident | 206 Ų | 206 | 101.5 Ų | 101.5 | 100% | 1.015 | 53% | 0.525 | S | S | * | . | 0 | 123.3 | 0 | -72.8 | 175.6 | 73.8 | 0 | 0 | 106.9 | |||||
| 2 | E | 58.8 | Low | 84 | Confident | 182 Ų | 182 | 96.3 Ų | 96.3 | 85% | 0.85 | 52% | 0.515 | S | S | * | . | trans | -58.6 | 142.8 | 172.7 | -68.9 | -176.5 | 167.6 | 0 | 0 | 109.8 | Q4 | E2-Q4 PolarHBondContact O-N 3.18Š| ||
| 3 | P | 63.8 | Low | 84.9 | Confident | 121 Ų | 121 | 89.5 Ų | 89.5 | 79% | 0.786 | 48% | 0.478 | S | S | * | . | trans | -59.5 | 124 | 176.4 | 24 | -31.2 | 0 | 0 | 0 | 108.9 | K5 | P3-K5 PolarHBondContact O-N 3.27Š| ||
| 4 | Q | 73.2 | Confident | 85.8 | Confident | 60 Ų | 60 | 86.8 Ų | 86.8 | 28% | 0.28 | 47% | 0.468 | S | S | . | . | trans | -58.1 | 112.1 | 173.3 | -84.2 | 163.7 | -25 | 0 | 0 | 108.2 | E2 V6 L26 | E2-Q4 PolarHBondContact O-N 3.18Å; Q4-V6 PolarHBondContact O-N 2.73Å; Q4-L26 HydrophobicContact CB-CD2 3.84Å; Q4-L26 HydrophobicContact CG-CD2 4.47Å | ||
| 5 | K | 85.5 | Confident | 86.6 | Confident | 157 Ų | 157 | 90.8 Ų | 90.8 | 68% | 0.683 | 48% | 0.483 | S | S | * | . | trans | -68.3 | 120.9 | -179.4 | -170.1 | 178.1 | -174.5 | 179.1 | 0 | 108.8 | P3 I7 D79 | P3-K5 PolarHBondContact O-N 3.27Å; K5-I7 HydrophobicContact CD-CD1 4.3Å; K5-I7 HydrophobicContact CG-CG1 4.23Å; K5-D79 PolarHBondContact O-N 3.2Å | ||
| 6 | V | 95.7 | Very high | 87.3 | Confident | 43 Ų | 43 | 91.9 Ų | 91.9 | 26% | 0.261 | 49% | 0.489 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 132.9 | 174.3 | 177.7 | 0 | 0 | 0 | 0 | 108.7 | Q4 I22 L26 F76 Y77 A78 | Q4-V6 PolarHBondContact O-N 2.73Å; V6-I22 HydrophobicContact CB-CG2 4.28Å; V6-I22 HydrophobicContact CG1-CD1 3.86Å; V6-I22 HydrophobicContact CG1-CG1 3.95Å; V6-I22 HydrophobicContact CG1-CG2 3.91Å; V6-I22 HydrophobicContact CG2-CG2 3.87Å; V6-L26 HydrophobicContact CG2-CD1 3.97Å; V6-L26 HydrophobicContact CG2-CD2 3.85Å; V6-L26 HydrophobicContact CG2-CG 4.24Å; V6-F76 HydrophobicContact CG1-CD2 3.82Å; V6-F76 HydrophobicContact CG1-CE2 4.44Å; V6-F76 HydrophobicContact CG1-CG 4.48Å; V6-Y77 CarbonylContact C-O 3.54Å; V6-Y77 VanDerWaalsContact CA-O 3.28Å; V6-Y77 WeakPolarHBondContact CA-O 3.27Å; V6-A78 HydrophobicContact CG2-CB 4.3Å |
| 7 | I | 96.2 | Very high | 87.9 | Confident | 63 Ų | 63 | 87.9 Ų | 87.9 | 32% | 0.323 | 47% | 0.467 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 104.7 | 178.4 | -53 | 175.4 | 0 | 0 | 0 | 108.1 | K5 K9 F76 Y77 | K5-I7 HydrophobicContact CD-CD1 4.3Å; K5-I7 HydrophobicContact CG-CG1 4.23Å; I7-K9 HydrophobicContact CG2-CD 4.16Å; I7-K9 PolarHBondContact O-N 2.94Å; I7-F76 CarbonylContact O-C 3.49Å; I7-F76 VanDerWaalsContact O-CA 3.26Å; I7-F76 WeakPolarHBondContact O-CA 3.31Å; I7-F76 WeakPolarHBondContact O-CB 3.12Å; I7-Y77 PolarHBondContact N-O 2.98Å; I7-Y77 PolarHBondContact O-N 3.13Å |
| 8 | V | 97.5 | Very high | 88.5 | Confident | 57 Ų | 57 | 85.3 Ų | 85.3 | 35% | 0.345 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 128.6 | 170.4 | -176.5 | 0 | 0 | 0 | 0 | 108.7 | T11 I22 I74 F76 | V8-T11 HydrophobicContact CG1-CG2 4.04Å; V8-I22 HydrophobicContact CG2-CD1 3.85Å; V8-I74 HydrophobicContact CG1-CG1 4.38Å; V8-F76 HydrophobicContact CB-CB 4.42Å; V8-F76 HydrophobicContact CG2-CB 4.16Å |
| 9 | K | 96.9 | Very high | 89 | Confident | 121 Ų | 121 | 85.5 Ų | 85.5 | 53% | 0.526 | 45% | 0.45 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | -38.5 | -178.1 | -71.4 | -61 | -173.5 | -177.9 | 0 | 112.5 | I7 Y75 Y77 | I7-K9 HydrophobicContact CG2-CD 4.16Å; I7-K9 PolarHBondContact O-N 2.94Å; K9-Y75 HydrophobicContact CB-CD1 3.51Å; K9-Y75 HydrophobicContact CB-CE1 3.84Å; K9-Y75 HydrophobicContact CB-CG 4.49Å; K9-Y75 HydrophobicContact CG-CD1 4.21Å; K9-Y75 HydrophobicContact CG-CE1 4.07Å; K9-Y75 PolarHBondContact N-O 3.19Å; K9-Y77 HydrophobicContact CD-CD2 4.14Å; K9-Y77 HydrophobicContact CD-CE2 4.04Å; K9-Y77 VanDerWaalsContact CE-CD2 3.48Å; K9-Y77 VanDerWaalsContact CE-CE2 3.42Å; K9-Y77 HydrophobicContact CG-CD2 3.57Å; K9-Y77 HydrophobicContact CG-CE2 3.54Å |
| 10 | S | 97.1 | Very high | 89.5 | Confident | 61 Ų | 61 | 82.7 Ų | 82.7 | 43% | 0.427 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.1 | 145.5 | 175.1 | -176.8 | 0 | 0 | 0 | 0 | 109.3 | Y75 | S10-Y75 PolarHBondContact N-O 2.8Å; S10-Y75 PolarHBondContact O-N 3.28Å |
| 11 | T | 97.8 | Very high | 89.9 | Confident | 45 Ų | 45 | 78.8 Ų | 78.8 | 28% | 0.276 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.8 | 146.8 | 178.7 | -171 | 0 | 0 | 0 | 0 | 110.5 | V8 M13 Q18 F73 | V8-T11 HydrophobicContact CG1-CG2 4.04Å; T11-M13 PolarHBondContact OG1-N 3.13Å; T11-M13 VanDerWaalsContact OG1-N 3.13Å; T11-Q18 VanDerWaalsContact CG2-CD 3.46Å; T11-Q18 HydrophobicContact CG2-CG 4.26Å; T11-Q18 VanDerWaalsContact CG2-NE2 3.34Å; T11-F73 CarbonylContact C-O 3.55Å; T11-F73 VanDerWaalsContact CA-O 3.25Å; T11-F73 WeakPolarHBondContact CA-O 3.46Å; T11-F73 PolarHBondContact OG1-O 3.35Å |
| 12 | G | 95.8 | Very high | 92.2 | Very high | 40 Ų | 40 | 70.5 Ų | 70.5 | 41% | 0.412 | 37% | 0.373 | S | S | . | . | trans | -107.1 | -5.5 | 163.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | E71 F73 | G12-E71 VanDerWaalsContact O-CA 3.31Å; G12-E71 WeakPolarHBondContact O-CA 3.34Å; G12-F73 PolarHBondContact N-O 2.93Å | ||
| 13 | M | 96.9 | Very high | 94 | Very high | 7 Ų | 7 | 67.9 Ų | 67.9 | 3% | 0.034 | 36% | 0.359 | C | S | . | . | S | Bend | trans | -71.7 | 150.5 | -174.4 | -69.4 | 174.2 | 179.9 | 0 | 0 | 112.1 | T11 M17 Q18 F46 W54 E71 F73 I74 L85 | T11-M13 PolarHBondContact OG1-N 3.13Å; T11-M13 VanDerWaalsContact OG1-N 3.13Å; M13-M17 HydrophobicContact CB-CB 4.22Å; M13-M17 HydrophobicContact CB-CG 4.25Å; M13-M17 HydrophobicContact CB-SD 4.07Å; M13-M17 HydrophobicContact CE-SD 4.22Å; M13-M17 HydrophobicContact CG-CG 4.09Å; M13-M17 HydrophobicContact CG-SD 3.59Å; M13-M17 VanDerWaalsContact CG-SD 3.59Å; M13-M17 HydrophobicContact SD-CG 3.8Å; M13-M17 HydrophobicContact SD-SD 3.87Å; M13-Q18 HydrophobicContact CB-CG 3.74Å; M13-Q18 PolarHBondContact O-NE2 3.15Å; M13-F46 HydrophobicContact CE-CD1 4.47Å; M13-F46 HydrophobicContact CE-CE1 3.93Å; M13-F46 HydrophobicContact SD-CE1 4.33Å; M13-W54 HydrophobicContact CE-CE3 4.46Å; M13-W54 HydrophobicContact CE-CH2 3.5Å; M13-W54 HydrophobicContact CE-CZ3 3.29Å; M13-E71 WeakPolarHBondContact CA-O 3.5Å; M13-E71 WeakPolarHBondContact CG-O 3.4Å; M13-F73 WeakPolarHBondContact CG-O 3.31Å; M13-I74 HydrophobicContact CE-CB 3.93Å; M13-I74 HydrophobicContact CE-CG2 3.5Å; M13-I74 HydrophobicContact CG-CB 4.5Å; M13-I74 HydrophobicContact SD-CB 3.59Å; M13-I74 VanDerWaalsContact SD-CB 3.59Å; M13-I74 HydrophobicContact SD-CD1 4.48Å; M13-I74 HydrophobicContact SD-CG2 3.56Å; M13-I74 VanDerWaalsContact SD-CG2 3.56Å; M13-L85 HydrophobicContact CE-CD2 4.26Å; M13-L85 HydrophobicContact CE-CG 4.33Å |
| 14 | P | 97.3 | Very high | 95.6 | Very high | 52 Ų | 52 | 62.9 Ų | 62.9 | 34% | 0.338 | 33% | 0.326 | S | S | . | . | trans | -64.1 | 155.4 | 165.6 | 29.1 | -34.7 | 0 | 0 | 0 | 111.5 | D16 M17 Q18 | P14-D16 VanDerWaalsContact C-N 3.32Å; P14-D16 WeakPolarHBondContact CB-OD1 3.32Å; P14-D16 WeakPolarHBondContact CG-OD1 3.44Å; P14-D16 PolarHBondContact O-N 3.19Å; P14-M17 HydrophobicContact CG-CB 3.92Å; P14-M17 PolarHBondContact O-N 3.36Å; P14-M17 VanDerWaalsContact O-N 3.08Å; P14-Q18 WeakPolarHBondContact O-CG 3.25Å; P14-Q18 PolarHBondContact O-N 3.35Å | ||
| 15 | E | 97.2 | Very high | 96.8 | Very high | 147 Ų | 147 | 60 Ų | 60 | 69% | 0.687 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -57.2 | -40.6 | -170.6 | -175 | 173.5 | -164.6 | 0 | 0 | 113.2 | M17 Q18 E19 | E15-M17 VanDerWaalsContact C-N 3.34Å; E15-M17 PolarHBondContact O-N 2.77Å; E15-Q18 WeakPolarHBondContact O-CB 3.32Å; E15-Q18 PolarHBondContact O-N 3.23Å; E15-E19 WeakPolarHBondContact O-CG 3.32Å; E15-E19 PolarHBondContact O-N 2.82Å |
| 16 | D | 97.7 | Very high | 97.2 | Very high | 108 Ų | 108 | 53.8 Ų | 53.8 | 58% | 0.578 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -63.4 | -38.4 | 177.8 | 69.5 | -41.4 | 0 | 0 | 0 | 112.6 | P14 H20 | P14-D16 VanDerWaalsContact C-N 3.32Å; P14-D16 WeakPolarHBondContact CB-OD1 3.32Å; P14-D16 WeakPolarHBondContact CG-OD1 3.44Å; P14-D16 PolarHBondContact O-N 3.19Å; D16-H20 WeakPolarHBondContact O-CB 3.36Å; D16-H20 PolarHBondContact O-N 3.3Å |
| 17 | M | 98.2 | Very high | 97.2 | Very high | 24 Ų | 24 | 59.5 Ų | 59.5 | 12% | 0.118 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -71.8 | -37.8 | 175.4 | -175.1 | -176.4 | -78.7 | 0 | 0 | 111.3 | M13 P14 E15 H20 A21 F46 Y50 W54 | M13-M17 HydrophobicContact CB-CB 4.22Å; M13-M17 HydrophobicContact CB-CG 4.25Å; M13-M17 HydrophobicContact CB-SD 4.07Å; M13-M17 HydrophobicContact CE-SD 4.22Å; M13-M17 HydrophobicContact CG-CG 4.09Å; M13-M17 HydrophobicContact CG-SD 3.59Å; M13-M17 VanDerWaalsContact CG-SD 3.59Å; M13-M17 HydrophobicContact SD-CG 3.8Å; M13-M17 HydrophobicContact SD-SD 3.87Å; P14-M17 HydrophobicContact CG-CB 3.92Å; P14-M17 PolarHBondContact O-N 3.36Å; P14-M17 VanDerWaalsContact O-N 3.08Å; E15-M17 VanDerWaalsContact C-N 3.34Å; E15-M17 PolarHBondContact O-N 2.77Å; M17-H20 PolarHBondContact O-N 3.34Å; M17-A21 PolarHBondContact O-N 3.42Å; M17-F46 HydrophobicContact CG-CE1 3.79Å; M17-F46 HydrophobicContact CG-CZ 4.27Å; M17-F46 HydrophobicContact SD-CE1 4.26Å; M17-Y50 HydrophobicContact CE-CD1 3.34Å; M17-Y50 HydrophobicContact CE-CD2 4.02Å; M17-Y50 HydrophobicContact CE-CE1 3.51Å; M17-Y50 HydrophobicContact CE-CE2 4.19Å; M17-Y50 HydrophobicContact CE-CG 3.59Å; M17-Y50 HydrophobicContact CG-CE1 4.39Å; M17-Y50 HydrophobicContact CG-CE2 4.03Å; M17-W54 HydrophobicContact SD-CH2 4.11Å; M17-W54 HydrophobicContact SD-CZ2 4.43Å |
| 18 | Q | 98.3 | Very high | 97.2 | Very high | 42 Ų | 42 | 56.7 Ų | 56.7 | 20% | 0.196 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -61.6 | -48.4 | 173 | -63.6 | 177.5 | 44.2 | 0 | 0 | 111.3 | T11 M13 P14 E15 H20 A21 I22 I74 | T11-Q18 VanDerWaalsContact CG2-CD 3.46Å; T11-Q18 HydrophobicContact CG2-CG 4.26Å; T11-Q18 VanDerWaalsContact CG2-NE2 3.34Å; M13-Q18 HydrophobicContact CB-CG 3.74Å; M13-Q18 PolarHBondContact O-NE2 3.15Å; P14-Q18 WeakPolarHBondContact O-CG 3.25Å; P14-Q18 PolarHBondContact O-N 3.35Å; E15-Q18 WeakPolarHBondContact O-CB 3.32Å; E15-Q18 PolarHBondContact O-N 3.23Å; Q18-H20 VanDerWaalsContact C-N 3.25Å; Q18-H20 PolarHBondContact O-N 2.95Å; Q18-A21 WeakPolarHBondContact O-CB 3.48Å; Q18-A21 PolarHBondContact O-N 3.42Å; Q18-I22 WeakPolarHBondContact O-CG1 3.44Å; Q18-I22 PolarHBondContact O-N 2.98Å; Q18-I74 HydrophobicContact CB-CD1 3.99Å; Q18-I74 HydrophobicContact CG-CD1 4.03Å |
| 19 | E | 97.8 | Very high | 97 | Very high | 88 Ų | 88 | 55.7 Ų | 55.7 | 41% | 0.411 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -57.8 | -41.4 | 175.8 | -77.2 | -166.3 | -172.6 | 0 | 0 | 111.7 | E15 I22 K23 | E15-E19 WeakPolarHBondContact O-CG 3.32Å; E15-E19 PolarHBondContact O-N 2.82Å; E19-I22 PolarHBondContact O-N 3.02Å; E19-K23 WeakPolarHBondContact O-CB 3.48Å; E19-K23 VanDerWaalsContact O-CG 3.25Å; E19-K23 WeakPolarHBondContact O-CG 3.39Å; E19-K23 PolarHBondContact O-N 2.9Å; E19-K23 IonicContact OE2-NZ 2.73Å; E19-K23 PolarHBondContact OE2-NZ 2.88Å |
| 20 | H | 98.3 | Very high | 96.8 | Very high | 30 Ų | 30 | 56.8 Ų | 56.8 | 14% | 0.139 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -63.5 | -45.4 | 177 | -175.3 | -141.5 | 0 | 0 | 0 | 111.6 | D16 M17 Q18 I22 K23 T24 E45 F46 K49 Y50 | D16-H20 WeakPolarHBondContact O-CB 3.36Å; D16-H20 PolarHBondContact O-N 3.3Å; M17-H20 PolarHBondContact O-N 3.34Å; Q18-H20 VanDerWaalsContact C-N 3.25Å; Q18-H20 PolarHBondContact O-N 2.95Å; H20-I22 VanDerWaalsContact C-N 3.33Å; H20-I22 PolarHBondContact O-N 3.41Å; H20-K23 PolarHBondContact O-N 3.22Å; H20-T24 PolarHBondContact CD2-OG1 2.95Å; H20-T24 PolarHBondContact NE2-OG1 2.88Å; H20-T24 WeakPolarHBondContact O-CB 3.31Å; H20-T24 PolarHBondContact O-N 3.24Å; H20-T24 PolarHBondContact O-OG1 3.48Å; H20-T24 VanDerWaalsContact O-OG1 3.05Å; H20-E45 IonicContact NE2-OE1 3.07Å; H20-F46 AromaticContact ND1-CE2 3.96Å; H20-K49 WeakPolarHBondContact CE1-CD 3.45Å; H20-K49 PolarHBondContact ND1-NZ 3.43Å; H20-Y50 AromaticContact CE1-CE2 3.99Å; H20-Y50 AromaticContact ND1-CE2 3.36Å; H20-Y50 WeakPolarHBondContact ND1-CE2 3.45Å; H20-Y50 AromaticContact ND1-CZ 3.49Å; H20-Y50 PolarHBondContact ND1-OH 2.94Å |
| 21 | A | 98.5 | Very high | 96.5 | Very high | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -56.4 | -47.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | M17 Q18 C25 L42 F46 I74 L85 | M17-A21 PolarHBondContact O-N 3.42Å; Q18-A21 WeakPolarHBondContact O-CB 3.48Å; Q18-A21 PolarHBondContact O-N 3.42Å; A21-C25 VanDerWaalsContact O-CB 3.3Å; A21-C25 WeakPolarHBondContact O-CB 3.34Å; A21-C25 PolarHBondContact O-N 3.41Å; A21-L42 WeakPolarHBondContact O-CD2 3.47Å; A21-F46 HydrophobicContact CB-CE1 4.37Å; A21-F46 HydrophobicContact CB-CE2 4.12Å; A21-F46 HydrophobicContact CB-CZ 3.55Å; A21-I74 HydrophobicContact CB-CD1 4.3Å; A21-I74 HydrophobicContact CB-CG2 4.2Å; A21-L85 HydrophobicContact CB-CD2 4.08Å |
| 22 | I | 97.8 | Very high | 95.9 | Very high | 32 Ų | 32 | 58.1 Ų | 58.1 | 16% | 0.164 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -65.2 | -49.8 | -178.7 | -67 | 166.5 | 0 | 0 | 0 | 110.7 | V6 V8 Q18 E19 H20 T24 C25 L26 F76 | V6-I22 HydrophobicContact CB-CG2 4.28Å; V6-I22 HydrophobicContact CG1-CD1 3.86Å; V6-I22 HydrophobicContact CG1-CG1 3.95Å; V6-I22 HydrophobicContact CG1-CG2 3.91Å; V6-I22 HydrophobicContact CG2-CG2 3.87Å; V8-I22 HydrophobicContact CG2-CD1 3.85Å; Q18-I22 WeakPolarHBondContact O-CG1 3.44Å; Q18-I22 PolarHBondContact O-N 2.98Å; E19-I22 PolarHBondContact O-N 3.02Å; H20-I22 VanDerWaalsContact C-N 3.33Å; H20-I22 PolarHBondContact O-N 3.41Å; I22-T24 VanDerWaalsContact C-N 3.34Å; I22-T24 PolarHBondContact O-N 3.43Å; I22-C25 WeakPolarHBondContact O-CB 3.46Å; I22-C25 PolarHBondContact O-N 3.49Å; I22-L26 HydrophobicContact CG2-CD1 3.99Å; I22-L26 HydrophobicContact CG2-CG 4.25Å; I22-L26 WeakPolarHBondContact O-CG 3.28Å; I22-L26 PolarHBondContact O-N 2.81Å; I22-F76 HydrophobicContact CG1-CD2 4.47Å; I22-F76 HydrophobicContact CG1-CE2 4.34Å; I22-F76 HydrophobicContact CG1-CZ 4.36Å |
| 23 | K | 97.1 | Very high | 95.2 | Very high | 127 Ų | 127 | 64.2 Ų | 64.2 | 55% | 0.552 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -59.5 | -44.3 | 179.6 | -74.3 | 166.8 | -178.4 | 162.3 | 0 | 111.3 | E19 H20 L26 K27 | E19-K23 WeakPolarHBondContact O-CB 3.48Å; E19-K23 VanDerWaalsContact O-CG 3.25Å; E19-K23 WeakPolarHBondContact O-CG 3.39Å; E19-K23 PolarHBondContact O-N 2.9Å; E19-K23 IonicContact OE2-NZ 2.73Å; E19-K23 PolarHBondContact OE2-NZ 2.88Å; H20-K23 PolarHBondContact O-N 3.22Å; K23-L26 PolarHBondContact O-N 3.43Å; K23-K27 VanDerWaalsContact O-CB 3.31Å; K23-K27 WeakPolarHBondContact O-CB 3.33Å; K23-K27 PolarHBondContact O-N 3.07Å |
| 24 | T | 97.4 | Very high | 95 | Very high | 16 Ų | 16 | 69.5 Ų | 69.5 | 10% | 0.098 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -63.9 | -42.8 | 177.3 | -63.6 | 0 | 0 | 0 | 0 | 111.4 | H20 I22 S28 T41 L42 E45 | H20-T24 PolarHBondContact CD2-OG1 2.95Å; H20-T24 PolarHBondContact NE2-OG1 2.88Å; H20-T24 WeakPolarHBondContact O-CB 3.31Å; H20-T24 PolarHBondContact O-N 3.24Å; H20-T24 PolarHBondContact O-OG1 3.48Å; H20-T24 VanDerWaalsContact O-OG1 3.05Å; I22-T24 VanDerWaalsContact C-N 3.34Å; I22-T24 PolarHBondContact O-N 3.43Å; T24-S28 WeakPolarHBondContact O-CB 3.37Å; T24-S28 PolarHBondContact O-N 3.44Å; T24-T41 HydrophobicContact CG2-CG2 4.21Å; T24-L42 HydrophobicContact CG2-CD2 3.79Å; T24-L42 HydrophobicContact CG2-CG 4.45Å; T24-E45 HydrophobicContact CG2-CB 4.2Å; T24-E45 HydrophobicContact CG2-CG 4.16Å |
| 25 | C | 97.1 | Very high | 95 | Very high | 0 Ų | 0 | 69.5 Ų | 69.5 | 0% | 0 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -60.7 | -52.9 | 175.6 | -178.1 | 0 | 0 | 0 | 0 | 112 | A21 I22 K27 S28 M29 L42 F76 | A21-C25 VanDerWaalsContact O-CB 3.3Å; A21-C25 WeakPolarHBondContact O-CB 3.34Å; A21-C25 PolarHBondContact O-N 3.41Å; I22-C25 WeakPolarHBondContact O-CB 3.46Å; I22-C25 PolarHBondContact O-N 3.49Å; C25-K27 VanDerWaalsContact C-N 3.34Å; C25-K27 PolarHBondContact O-N 3.35Å; C25-S28 PolarHBondContact O-N 3.05Å; C25-S28 VanDerWaalsContact O-N 3.13Å; C25-M29 WeakPolarHBondContact O-CG 3.4Å; C25-M29 PolarHBondContact O-N 3.49Å; C25-M29 VanDerWaalsContact SG-SD 3.67Å; C25-L42 HydrophobicContact CB-CD1 4.07Å; C25-L42 HydrophobicContact CB-CD2 4.22Å; C25-F76 HydrophobicContact CB-CE2 4.13Å; C25-F76 HydrophobicContact CB-CZ 3.74Å |
| 26 | L | 95.4 | Very high | 95 | Very high | 26 Ų | 26 | 69.5 Ų | 69.5 | 14% | 0.136 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -63.3 | -39.8 | -177.7 | -64.8 | -178.1 | 0 | 0 | 0 | 111.8 | Q4 V6 I22 K23 R30 A78 | Q4-L26 HydrophobicContact CB-CD2 3.84Å; Q4-L26 HydrophobicContact CG-CD2 4.47Å; V6-L26 HydrophobicContact CG2-CD1 3.97Å; V6-L26 HydrophobicContact CG2-CD2 3.85Å; V6-L26 HydrophobicContact CG2-CG 4.24Å; I22-L26 HydrophobicContact CG2-CD1 3.99Å; I22-L26 HydrophobicContact CG2-CG 4.25Å; I22-L26 WeakPolarHBondContact O-CG 3.28Å; I22-L26 PolarHBondContact O-N 2.81Å; K23-L26 PolarHBondContact O-N 3.43Å; L26-R30 VanDerWaalsContact O-CG 3.27Å; L26-R30 WeakPolarHBondContact O-CG 3.36Å; L26-R30 PolarHBondContact O-N 3.34Å; L26-R30 VanDerWaalsContact O-N 3.15Å; L26-A78 HydrophobicContact CD2-CB 4.11Å |
| 27 | K | 94.8 | Very high | 94.9 | Very high | 163 Ų | 163 | 66.6 Ų | 66.6 | 71% | 0.709 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -60.5 | -46.4 | 173 | -177.4 | -177.8 | 176.5 | -174.6 | 0 | 110.8 | K23 C25 R30 A31 | K23-K27 VanDerWaalsContact O-CB 3.31Å; K23-K27 WeakPolarHBondContact O-CB 3.33Å; K23-K27 PolarHBondContact O-N 3.07Å; C25-K27 VanDerWaalsContact C-N 3.34Å; C25-K27 PolarHBondContact O-N 3.35Å; K27-R30 PolarHBondContact O-N 3.3Å; K27-A31 PolarHBondContact O-N 2.93Å |
| 28 | S | 95.5 | Very high | 94.9 | Very high | 5 Ų | 5 | 65.6 Ų | 65.6 | 4% | 0.035 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -65.2 | -42.8 | 179.6 | -167.6 | 0 | 0 | 0 | 0 | 112.4 | T24 C25 R30 A31 L32 V38 T41 | T24-S28 WeakPolarHBondContact O-CB 3.37Å; T24-S28 PolarHBondContact O-N 3.44Å; C25-S28 PolarHBondContact O-N 3.05Å; C25-S28 VanDerWaalsContact O-N 3.13Å; S28-R30 VanDerWaalsContact C-N 3.26Å; S28-R30 PolarHBondContact O-N 3.15Å; S28-A31 PolarHBondContact O-N 2.88Å; S28-L32 WeakPolarHBondContact O-CA 3.38Å; S28-L32 WeakPolarHBondContact O-CB 3.43Å; S28-L32 PolarHBondContact O-N 2.94Å; S28-L32 WeakPolarHBondContact OG-CD1 3.4Å; S28-V38 WeakPolarHBondContact OG-CA 3.37Å; S28-T41 PolarHBondContact OG-OG1 2.97Å |
| 29 | M | 94.1 | Very high | 94.9 | Very high | 35 Ų | 35 | 64.2 Ų | 64.2 | 17% | 0.172 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -65.2 | -28 | 178.1 | -71.1 | 177.7 | 77.3 | 0 | 0 | 113 | C25 L32 V38 A78 D79 K81 | C25-M29 WeakPolarHBondContact O-CG 3.4Å; C25-M29 PolarHBondContact O-N 3.49Å; C25-M29 VanDerWaalsContact SG-SD 3.67Å; M29-L32 CarbonylContact C-O 3.6Å; M29-V38 HydrophobicContact CG-CG1 4.09Å; M29-V38 HydrophobicContact CG-CG2 3.87Å; M29-A78 HydrophobicContact SD-CB 3.94Å; M29-D79 HydrophobicContact CE-CB 4.35Å; M29-K81 HydrophobicContact CE-CG 4.3Å |
| 30 | R | 92.2 | Very high | 94.9 | Very high | 144 Ų | 144 | 63.4 Ų | 63.4 | 54% | 0.543 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -76.2 | -34.2 | 174.9 | -71.6 | 173.1 | -165.3 | -178.6 | 5.2 | 112.4 | L26 K27 S28 | L26-R30 VanDerWaalsContact O-CG 3.27Å; L26-R30 WeakPolarHBondContact O-CG 3.36Å; L26-R30 PolarHBondContact O-N 3.34Å; L26-R30 VanDerWaalsContact O-N 3.15Å; K27-R30 PolarHBondContact O-N 3.3Å; S28-R30 VanDerWaalsContact C-N 3.26Å; S28-R30 PolarHBondContact O-N 3.15Å |
| 31 | A | 92.1 | Very high | 94.9 | Very high | 74 Ų | 74 | 63.2 Ų | 63.2 | 61% | 0.612 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -88.6 | -31.2 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | K27 S28 | K27-A31 PolarHBondContact O-N 2.93Å; S28-A31 PolarHBondContact O-N 2.88Å |
| 32 | L | 84.7 | Confident | 94.9 | Very high | 61 Ų | 61 | 63.2 Ų | 63.2 | 32% | 0.319 | 32% | 0.315 | S | S | . | . | trans | -127.9 | 133 | -170.6 | -51.2 | 172.1 | 0 | 0 | 0 | 108.9 | S28 M29 D37 | S28-L32 WeakPolarHBondContact O-CA 3.38Å; S28-L32 WeakPolarHBondContact O-CB 3.43Å; S28-L32 PolarHBondContact O-N 2.94Å; S28-L32 WeakPolarHBondContact OG-CD1 3.4Å; M29-L32 CarbonylContact C-O 3.6Å; L32-D37 HydrophobicContact CB-CB 3.88Å; L32-D37 HydrophobicContact CD1-CB 3.72Å; L32-D37 HydrophobicContact CG-CB 4.27Å | ||
| 33 | H | 80.2 | Confident | 94.9 | Very high | 167 Ų | 167 | 65.1 Ų | 65.1 | 77% | 0.773 | 32% | 0.322 | S | S | * | . | trans | -94.9 | -14.4 | -175.7 | -61.9 | -56.3 | 0 | 0 | 0 | 114.1 | ||||
| 34 | H | 94 | Very high | 95 | Very high | 119 Ų | 119 | 65.6 Ų | 65.6 | 55% | 0.551 | 32% | 0.32 | S | S | * | . | S | Bend | trans | -97.3 | 134 | -177.5 | -47.9 | 99.1 | 0 | 0 | 0 | 112 | K36 D37 V38 | H34-K36 HydrophobicContact CB-CG 4.09Å; H34-K36 PolarHBondContact O-N 3.18Å; H34-K36 VanDerWaalsContact O-N 3.15Å; H34-D37 WeakPolarHBondContact CB-OD2 3.46Å; H34-D37 IonicContact CG-OD2 3.18Å; H34-D37 IonicContact ND1-OD2 2.73Å; H34-D37 PolarHBondContact ND1-OD2 3.27Å; H34-D37 WeakPolarHBondContact O-CB 3.3Å; H34-D37 PolarHBondContact O-N 2.92Å; H34-V38 PolarHBondContact O-N 2.99Å |
| 35 | D | 96.2 | Very high | 95 | Very high | 51 Ų | 51 | 68 Ų | 68 | 27% | 0.273 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -52 | -39.2 | 177.7 | -66.1 | -15.8 | 0 | 0 | 0 | 112.3 | D37 V38 A39 V58 K81 | D35-D37 VanDerWaalsContact C-N 3.27Å; D35-D37 PolarHBondContact O-N 3.41Å; D35-V38 PolarHBondContact O-N 3.08Å; D35-A39 WeakPolarHBondContact O-CB 3.44Å; D35-A39 PolarHBondContact O-N 2.91Å; D35-V58 HydrophobicContact CB-CB 4.05Å; D35-V58 HydrophobicContact CB-CG1 3.88Å; D35-K81 WeakPolarHBondContact OD1-CE 3.44Å; D35-K81 IonicContact OD1-NZ 3.85Å; D35-K81 PolarHBondContact OD1-NZ 3.33Å; D35-K81 IonicContact OD2-NZ 3.61Å; D35-K81 PolarHBondContact OD2-NZ 3.17Å |
| 36 | K | 96.9 | Very high | 95.1 | Very high | 147 Ų | 147 | 68 Ų | 68 | 64% | 0.639 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -61.1 | -34.1 | 178.1 | 76 | 178.9 | -174.7 | 174.3 | 0 | 113.1 | H34 S40 | H34-K36 HydrophobicContact CB-CG 4.09Å; H34-K36 PolarHBondContact O-N 3.18Å; H34-K36 VanDerWaalsContact O-N 3.15Å; K36-S40 VanDerWaalsContact O-CB 3.3Å; K36-S40 WeakPolarHBondContact O-CB 3.34Å; K36-S40 PolarHBondContact O-N 3.07Å; K36-S40 PolarHBondContact O-OG 2.85Å |
| 37 | D | 97 | Very high | 95.2 | Very high | 47 Ų | 47 | 67.8 Ų | 67.8 | 25% | 0.251 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -78.3 | -37.5 | -175.7 | -61.4 | -29.3 | 0 | 0 | 0 | 109.5 | L32 H34 D35 S40 T41 | L32-D37 HydrophobicContact CB-CB 3.88Å; L32-D37 HydrophobicContact CD1-CB 3.72Å; L32-D37 HydrophobicContact CG-CB 4.27Å; H34-D37 WeakPolarHBondContact CB-OD2 3.46Å; H34-D37 IonicContact CG-OD2 3.18Å; H34-D37 IonicContact ND1-OD2 2.73Å; H34-D37 PolarHBondContact ND1-OD2 3.27Å; H34-D37 WeakPolarHBondContact O-CB 3.3Å; H34-D37 PolarHBondContact O-N 2.92Å; D35-D37 VanDerWaalsContact C-N 3.27Å; D35-D37 PolarHBondContact O-N 3.41Å; D37-S40 PolarHBondContact O-N 3.28Å; D37-T41 WeakPolarHBondContact O-CB 3.45Å; D37-T41 PolarHBondContact O-N 3.49Å; D37-T41 PolarHBondContact O-OG1 3.32Å |
| 38 | V | 97.2 | Very high | 95.4 | Very high | 4 Ų | 4 | 66.8 Ų | 66.8 | 2% | 0.024 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -63 | -48.7 | 171.4 | -178.9 | 0 | 0 | 0 | 0 | 110.8 | S28 M29 H34 D35 S40 T41 L42 V58 | S28-V38 WeakPolarHBondContact OG-CA 3.37Å; M29-V38 HydrophobicContact CG-CG1 4.09Å; M29-V38 HydrophobicContact CG-CG2 3.87Å; H34-V38 PolarHBondContact O-N 2.99Å; D35-V38 PolarHBondContact O-N 3.08Å; V38-S40 VanDerWaalsContact C-N 3.34Å; V38-S40 PolarHBondContact O-N 2.98Å; V38-T41 PolarHBondContact O-N 3.47Å; V38-L42 HydrophobicContact CG1-CD1 4.19Å; V38-L42 PolarHBondContact O-N 3.2Å; V38-V58 HydrophobicContact CB-CG2 4.28Å; V38-V58 HydrophobicContact CG1-CG2 4.05Å |
| 39 | A | 98.5 | Very high | 95.5 | Very high | 13 Ų | 13 | 72.2 Ų | 72.2 | 11% | 0.107 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -58.7 | -45.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | D35 T41 K43 C56 V58 | D35-A39 WeakPolarHBondContact O-CB 3.44Å; D35-A39 PolarHBondContact O-N 2.91Å; A39-T41 PolarHBondContact O-N 3.38Å; A39-K43 VanDerWaalsContact O-CB 3.28Å; A39-K43 WeakPolarHBondContact O-CB 3.45Å; A39-K43 PolarHBondContact O-N 2.96Å; A39-C56 HydrophobicContact CB-CB 4.19Å; A39-C56 WeakPolarHBondContact O-CB 3.35Å; A39-V58 HydrophobicContact CB-CB 4.46Å; A39-V58 HydrophobicContact CB-CG2 3.89Å |
| 40 | S | 98.2 | Very high | 95.6 | Very high | 71 Ų | 71 | 72.7 Ų | 72.7 | 50% | 0.497 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -64.5 | -39.1 | 179 | -61.6 | 0 | 0 | 0 | 0 | 112.2 | K36 D37 V38 R44 | K36-S40 VanDerWaalsContact O-CB 3.3Å; K36-S40 WeakPolarHBondContact O-CB 3.34Å; K36-S40 PolarHBondContact O-N 3.07Å; K36-S40 PolarHBondContact O-OG 2.85Å; D37-S40 PolarHBondContact O-N 3.28Å; V38-S40 VanDerWaalsContact C-N 3.34Å; V38-S40 PolarHBondContact O-N 2.98Å; S40-R44 WeakPolarHBondContact O-CB 3.26Å; S40-R44 PolarHBondContact O-N 2.79Å |
| 41 | T | 98.2 | Very high | 95.8 | Very high | 26 Ų | 26 | 67.4 Ų | 67.4 | 16% | 0.16 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -64 | -51.1 | 177.7 | -62 | 0 | 0 | 0 | 0 | 111.2 | T24 S28 D37 V38 A39 K43 R44 E45 | T24-T41 HydrophobicContact CG2-CG2 4.21Å; S28-T41 PolarHBondContact OG-OG1 2.97Å; D37-T41 WeakPolarHBondContact O-CB 3.45Å; D37-T41 PolarHBondContact O-N 3.49Å; D37-T41 PolarHBondContact O-OG1 3.32Å; V38-T41 PolarHBondContact O-N 3.47Å; A39-T41 PolarHBondContact O-N 3.38Å; T41-K43 PolarHBondContact O-N 2.75Å; T41-R44 PolarHBondContact O-N 2.87Å; T41-E45 WeakPolarHBondContact O-CB 3.19Å; T41-E45 PolarHBondContact O-N 2.98Å |
| 42 | L | 98.5 | Very high | 96 | Very high | 0 Ų | 0 | 72 Ų | 72 | 0% | 0 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -59.1 | -48.1 | 177.8 | -78.1 | 165.2 | 0 | 0 | 0 | 111.5 | A21 T24 C25 V38 R44 E45 F46 C56 I83 L85 | A21-L42 WeakPolarHBondContact O-CD2 3.47Å; T24-L42 HydrophobicContact CG2-CD2 3.79Å; T24-L42 HydrophobicContact CG2-CG 4.45Å; C25-L42 HydrophobicContact CB-CD1 4.07Å; C25-L42 HydrophobicContact CB-CD2 4.22Å; V38-L42 HydrophobicContact CG1-CD1 4.19Å; V38-L42 PolarHBondContact O-N 3.2Å; L42-R44 PolarHBondContact O-N 2.94Å; L42-E45 PolarHBondContact O-N 3.44Å; L42-F46 WeakPolarHBondContact O-CB 3.44Å; L42-F46 WeakPolarHBondContact O-CD2 3.42Å; L42-F46 PolarHBondContact O-N 2.98Å; L42-C56 HydrophobicContact CB-CB 4.34Å; L42-I83 HydrophobicContact CD1-CG2 3.81Å; L42-L85 HydrophobicContact CB-CD1 4.38Å; L42-L85 HydrophobicContact CD2-CD2 4.35Å |
| 43 | K | 98.5 | Very high | 96.5 | Very high | 71 Ų | 71 | 70 Ų | 70 | 31% | 0.309 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -56.9 | -46.9 | 177.9 | 175 | 176 | -175.5 | -52.4 | 0 | 112.1 | A39 T41 N47 W54 C56 | A39-K43 VanDerWaalsContact O-CB 3.28Å; A39-K43 WeakPolarHBondContact O-CB 3.45Å; A39-K43 PolarHBondContact O-N 2.96Å; T41-K43 PolarHBondContact O-N 2.75Å; K43-N47 PolarHBondContact NZ-ND2 2.99Å; K43-N47 VanDerWaalsContact NZ-ND2 3.17Å; K43-N47 VanDerWaalsContact O-CB 3.25Å; K43-N47 WeakPolarHBondContact O-CB 3.36Å; K43-N47 VanDerWaalsContact O-CG 3.23Å; K43-N47 PolarHBondContact O-N 3.31Å; K43-W54 WeakPolarHBondContact CE-O 3.48Å; K43-W54 WeakPolarHBondContact CG-O 3.21Å; K43-C56 HydrophobicContact CB-CB 4.36Å |
| 44 | R | 98.3 | Very high | 97.4 | Very high | 138 Ų | 138 | 62.1 Ų | 62.1 | 52% | 0.521 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -64.7 | -51.8 | -179.4 | -178.3 | -179.2 | 64.9 | -147.8 | -5.1 | 111 | S40 T41 L42 F46 N47 E48 | S40-R44 WeakPolarHBondContact O-CB 3.26Å; S40-R44 PolarHBondContact O-N 2.79Å; T41-R44 PolarHBondContact O-N 2.87Å; L42-R44 PolarHBondContact O-N 2.94Å; R44-F46 VanDerWaalsContact C-N 3.29Å; R44-F46 PolarHBondContact O-N 2.99Å; R44-N47 WeakPolarHBondContact O-CB 3.42Å; R44-N47 PolarHBondContact O-N 3.19Å; R44-E48 HydrophobicContact CG-CG 4.5Å; R44-E48 WeakPolarHBondContact CG-OE1 3.43Å; R44-E48 WeakPolarHBondContact O-CG 3.42Å; R44-E48 PolarHBondContact O-N 3.04Å |
| 45 | E | 98.2 | Very high | 97.6 | Very high | 67 Ų | 67 | 59.2 Ų | 59.2 | 31% | 0.313 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -57 | -44.3 | -178.6 | -166.8 | 78.5 | -173.4 | 0 | 0 | 111.3 | H20 T24 T41 L42 E48 K49 | H20-E45 IonicContact NE2-OE1 3.07Å; T24-E45 HydrophobicContact CG2-CB 4.2Å; T24-E45 HydrophobicContact CG2-CG 4.16Å; T41-E45 WeakPolarHBondContact O-CB 3.19Å; T41-E45 PolarHBondContact O-N 2.98Å; L42-E45 PolarHBondContact O-N 3.44Å; E45-E48 PolarHBondContact O-N 3.48Å; E45-K49 WeakPolarHBondContact O-CB 3.36Å; E45-K49 PolarHBondContact O-N 2.95Å |
| 46 | F | 98.4 | Very high | 97.7 | Very high | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -73.6 | -35.4 | -179.2 | -87.3 | -116.5 | 0 | 0 | 0 | 112.6 | M13 M17 H20 A21 L42 R44 E48 Y50 W54 L85 | M13-F46 HydrophobicContact CE-CD1 4.47Å; M13-F46 HydrophobicContact CE-CE1 3.93Å; M13-F46 HydrophobicContact SD-CE1 4.33Å; M17-F46 HydrophobicContact CG-CE1 3.79Å; M17-F46 HydrophobicContact CG-CZ 4.27Å; M17-F46 HydrophobicContact SD-CE1 4.26Å; H20-F46 AromaticContact ND1-CE2 3.96Å; A21-F46 HydrophobicContact CB-CE1 4.37Å; A21-F46 HydrophobicContact CB-CE2 4.12Å; A21-F46 HydrophobicContact CB-CZ 3.55Å; L42-F46 WeakPolarHBondContact O-CB 3.44Å; L42-F46 WeakPolarHBondContact O-CD2 3.42Å; L42-F46 PolarHBondContact O-N 2.98Å; R44-F46 VanDerWaalsContact C-N 3.29Å; R44-F46 PolarHBondContact O-N 2.99Å; F46-E48 VanDerWaalsContact C-N 3.31Å; F46-E48 PolarHBondContact O-N 3.27Å; F46-Y50 HydrophobicContact CB-CD2 4.18Å; F46-Y50 AromaticContact CD1-CD2 3.45Å; F46-Y50 HydrophobicContact CD1-CD2 3.45Å; F46-Y50 VanDerWaalsContact CD1-CD2 3.45Å; F46-Y50 AromaticContact CD1-CE2 3.78Å; F46-Y50 HydrophobicContact CD1-CE2 3.78Å; F46-Y50 HydrophobicContact CD2-CD2 4.37Å; F46-Y50 HydrophobicContact CD2-CE2 4.28Å; F46-Y50 AromaticContact CE1-CD2 3.75Å; F46-Y50 HydrophobicContact CE1-CD2 3.75Å; F46-Y50 AromaticContact CE1-CE2 3.59Å; F46-Y50 HydrophobicContact CE1-CE2 3.59Å; F46-Y50 HydrophobicContact CE2-CE2 4.11Å; F46-Y50 AromaticContact CG-CD2 3.78Å; F46-Y50 HydrophobicContact CG-CD2 3.78Å; F46-Y50 HydrophobicContact CG-CE2 4.1Å; F46-Y50 HydrophobicContact CZ-CD2 4.29Å; F46-Y50 AromaticContact CZ-CE2 3.74Å; F46-Y50 HydrophobicContact CZ-CE2 3.74Å; F46-Y50 WeakPolarHBondContact O-CA 3.28Å; F46-Y50 WeakPolarHBondContact O-CB 3.4Å; F46-Y50 PolarHBondContact O-N 3.49Å; F46-W54 HydrophobicContact CB-CB 4.17Å; F46-W54 HydrophobicContact CB-CD2 3.66Å; F46-W54 HydrophobicContact CB-CE3 4.27Å; F46-W54 HydrophobicContact CB-CG 3.58Å; F46-W54 AromaticContact CD1-CD2 3.86Å; F46-W54 HydrophobicContact CD1-CD2 3.86Å; F46-W54 AromaticContact CD1-CE2 3.79Å; F46-W54 AromaticContact CD1-CE3 3.84Å; F46-W54 HydrophobicContact CD1-CE3 3.84Å; F46-W54 AromaticContact CD1-CH2 3.75Å; F46-W54 HydrophobicContact CD1-CH2 3.75Å; F46-W54 AromaticContact CD1-CZ2 3.74Å; F46-W54 HydrophobicContact CD1-CZ2 3.74Å; F46-W54 AromaticContact CD1-CZ3 3.81Å; F46-W54 HydrophobicContact CD1-CZ3 3.81Å; F46-W54 HydrophobicContact CE1-CH2 4.22Å; F46-W54 HydrophobicContact CE1-CZ2 4.49Å; F46-W54 HydrophobicContact CE1-CZ3 4.37Å; F46-W54 HydrophobicContact CG-CD2 4.23Å; F46-W54 HydrophobicContact CG-CE3 4.44Å; F46-W54 VanDerWaalsContact O-CD1 3.32Å; F46-W54 PolarHBondContact O-NE1 3.41Å; F46-L85 HydrophobicContact CD1-CD2 3.68Å; F46-L85 HydrophobicContact CD1-CG 4.37Å; F46-L85 HydrophobicContact CD2-CD2 3.93Å; F46-L85 HydrophobicContact CE1-CD2 3.63Å; F46-L85 HydrophobicContact CE2-CD2 3.89Å; F46-L85 HydrophobicContact CG-CD1 4.48Å; F46-L85 HydrophobicContact CG-CD2 3.86Å; F46-L85 HydrophobicContact CZ-CD2 3.76Å |
| 47 | N | 97.8 | Very high | 97.8 | Very high | 21 Ų | 21 | 53.5 Ų | 53.5 | 11% | 0.112 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -59.7 | -42 | 170.5 | -86.3 | -15 | 0 | 0 | 0 | 112.3 | K43 R44 G51 R52 W54 | K43-N47 PolarHBondContact NZ-ND2 2.99Å; K43-N47 VanDerWaalsContact NZ-ND2 3.17Å; K43-N47 VanDerWaalsContact O-CB 3.25Å; K43-N47 WeakPolarHBondContact O-CB 3.36Å; K43-N47 VanDerWaalsContact O-CG 3.23Å; K43-N47 PolarHBondContact O-N 3.31Å; R44-N47 WeakPolarHBondContact O-CB 3.42Å; R44-N47 PolarHBondContact O-N 3.19Å; N47-G51 CarbonylContact O-C 3.6Å; N47-G51 WeakPolarHBondContact O-CA 3.3Å; N47-G51 PolarHBondContact O-N 3.46Å; N47-R52 HydrophobicContact CB-CG 3.99Å; N47-W54 WeakPolarHBondContact OD1-CB 3.19Å; N47-W54 PolarHBondContact OD1-N 3.32Å |
| 48 | E | 97.8 | Very high | 97.8 | Very high | 141 Ų | 141 | 52.1 Ų | 52.1 | 66% | 0.659 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -72.4 | -43.5 | -178.6 | -72.8 | 170.4 | -172.6 | 0 | 0 | 111.7 | R44 E45 F46 | R44-E48 HydrophobicContact CG-CG 4.5Å; R44-E48 WeakPolarHBondContact CG-OE1 3.43Å; R44-E48 WeakPolarHBondContact O-CG 3.42Å; R44-E48 PolarHBondContact O-N 3.04Å; E45-E48 PolarHBondContact O-N 3.48Å; F46-E48 VanDerWaalsContact C-N 3.31Å; F46-E48 PolarHBondContact O-N 3.27Å |
| 49 | K | 97.9 | Very high | 97.8 | Very high | 119 Ų | 119 | 52.4 Ų | 52.4 | 52% | 0.517 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -86.1 | -34.5 | -174.6 | -168.6 | 175.7 | 179 | -175.4 | 0 | 114.6 | H20 E45 | H20-K49 WeakPolarHBondContact CE1-CD 3.45Å; H20-K49 PolarHBondContact ND1-NZ 3.43Å; E45-K49 WeakPolarHBondContact O-CB 3.36Å; E45-K49 PolarHBondContact O-N 2.95Å |
| 50 | Y | 96.9 | Very high | 97.6 | Very high | 45 Ų | 45 | 56 Ų | 56 | 18% | 0.176 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -122.6 | 13.1 | -169.4 | -52.1 | -65 | 0 | 0 | 0 | 113.5 | M17 H20 F46 K87 | M17-Y50 HydrophobicContact CE-CD1 3.34Å; M17-Y50 HydrophobicContact CE-CD2 4.02Å; M17-Y50 HydrophobicContact CE-CE1 3.51Å; M17-Y50 HydrophobicContact CE-CE2 4.19Å; M17-Y50 HydrophobicContact CE-CG 3.59Å; M17-Y50 HydrophobicContact CG-CE1 4.39Å; M17-Y50 HydrophobicContact CG-CE2 4.03Å; H20-Y50 AromaticContact CE1-CE2 3.99Å; H20-Y50 AromaticContact ND1-CE2 3.36Å; H20-Y50 WeakPolarHBondContact ND1-CE2 3.45Å; H20-Y50 AromaticContact ND1-CZ 3.49Å; H20-Y50 PolarHBondContact ND1-OH 2.94Å; F46-Y50 HydrophobicContact CB-CD2 4.18Å; F46-Y50 AromaticContact CD1-CD2 3.45Å; F46-Y50 HydrophobicContact CD1-CD2 3.45Å; F46-Y50 VanDerWaalsContact CD1-CD2 3.45Å; F46-Y50 AromaticContact CD1-CE2 3.78Å; F46-Y50 HydrophobicContact CD1-CE2 3.78Å; F46-Y50 HydrophobicContact CD2-CD2 4.37Å; F46-Y50 HydrophobicContact CD2-CE2 4.28Å; F46-Y50 AromaticContact CE1-CD2 3.75Å; F46-Y50 HydrophobicContact CE1-CD2 3.75Å; F46-Y50 AromaticContact CE1-CE2 3.59Å; F46-Y50 HydrophobicContact CE1-CE2 3.59Å; F46-Y50 HydrophobicContact CE2-CE2 4.11Å; F46-Y50 AromaticContact CG-CD2 3.78Å; F46-Y50 HydrophobicContact CG-CD2 3.78Å; F46-Y50 HydrophobicContact CG-CE2 4.1Å; F46-Y50 HydrophobicContact CZ-CD2 4.29Å; F46-Y50 AromaticContact CZ-CE2 3.74Å; F46-Y50 HydrophobicContact CZ-CE2 3.74Å; F46-Y50 WeakPolarHBondContact O-CA 3.28Å; F46-Y50 WeakPolarHBondContact O-CB 3.4Å; F46-Y50 PolarHBondContact O-N 3.49Å; Y50-K87 PolarHBondContact O-NZ 2.97Å |
| 51 | G | 95.8 | Very high | 97.4 | Very high | 33 Ų | 33 | 60.1 Ų | 60.1 | 34% | 0.34 | 30% | 0.3 | S | S | . | . | trans | 75.1 | 151.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | N47 W54 | N47-G51 CarbonylContact O-C 3.6Å; N47-G51 WeakPolarHBondContact O-CA 3.3Å; N47-G51 PolarHBondContact O-N 3.46Å; G51-W54 PolarHBondContact O-NE1 2.73Å | ||
| 52 | R | 96.3 | Very high | 97.4 | Very high | 170 Ų | 170 | 61.6 Ų | 61.6 | 64% | 0.642 | 30% | 0.303 | S | S | * | . | S | Bend | trans | -71.4 | 156.1 | 179.6 | -59.6 | 174.8 | 69.4 | 139.8 | -2.5 | 110.9 | N47 K87 | N47-R52 HydrophobicContact CB-CG 3.99Å; R52-K87 WeakPolarHBondContact O-CE 3.46Å |
| 53 | T | 96.5 | Very high | 97.2 | Very high | 19 Ų | 19 | 65.4 Ų | 65.4 | 12% | 0.117 | 34% | 0.342 | C | S | . | . | cis | -117.4 | 114 | 3.5 | -64.1 | 0 | 0 | 0 | 0 | 111.3 | K87 T88 Y90 | T53-K87 WeakPolarHBondContact O-CA 3.27Å; T53-T88 PolarHBondContact O-N 3.01Å; T53-Y90 PolarHBondContact OG1-OH 3.4Å | ||
| 54 | W | 98.2 | Very high | 97 | Very high | 3 Ų | 3 | 65.2 Ų | 65.2 | 1% | 0.011 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 150.1 | 171.9 | -67.6 | 85.2 | 0 | 0 | 0 | 112 | M13 M17 K43 F46 N47 G51 G72 L85 Y86 K87 | M13-W54 HydrophobicContact CE-CE3 4.46Å; M13-W54 HydrophobicContact CE-CH2 3.5Å; M13-W54 HydrophobicContact CE-CZ3 3.29Å; M17-W54 HydrophobicContact SD-CH2 4.11Å; M17-W54 HydrophobicContact SD-CZ2 4.43Å; K43-W54 WeakPolarHBondContact CE-O 3.48Å; K43-W54 WeakPolarHBondContact CG-O 3.21Å; F46-W54 HydrophobicContact CB-CB 4.17Å; F46-W54 HydrophobicContact CB-CD2 3.66Å; F46-W54 HydrophobicContact CB-CE3 4.27Å; F46-W54 HydrophobicContact CB-CG 3.58Å; F46-W54 AromaticContact CD1-CD2 3.86Å; F46-W54 HydrophobicContact CD1-CD2 3.86Å; F46-W54 AromaticContact CD1-CE2 3.79Å; F46-W54 AromaticContact CD1-CE3 3.84Å; F46-W54 HydrophobicContact CD1-CE3 3.84Å; F46-W54 AromaticContact CD1-CH2 3.75Å; F46-W54 HydrophobicContact CD1-CH2 3.75Å; F46-W54 AromaticContact CD1-CZ2 3.74Å; F46-W54 HydrophobicContact CD1-CZ2 3.74Å; F46-W54 AromaticContact CD1-CZ3 3.81Å; F46-W54 HydrophobicContact CD1-CZ3 3.81Å; F46-W54 HydrophobicContact CE1-CH2 4.22Å; F46-W54 HydrophobicContact CE1-CZ2 4.49Å; F46-W54 HydrophobicContact CE1-CZ3 4.37Å; F46-W54 HydrophobicContact CG-CD2 4.23Å; F46-W54 HydrophobicContact CG-CE3 4.44Å; F46-W54 VanDerWaalsContact O-CD1 3.32Å; F46-W54 PolarHBondContact O-NE1 3.41Å; N47-W54 WeakPolarHBondContact OD1-CB 3.19Å; N47-W54 PolarHBondContact OD1-N 3.32Å; G51-W54 PolarHBondContact O-NE1 2.73Å; W54-G72 WeakPolarHBondContact CZ3-O 3.44Å; W54-L85 HydrophobicContact CB-CD1 4.48Å; W54-L85 HydrophobicContact CE3-CD1 3.81Å; W54-L85 HydrophobicContact CE3-CG 3.85Å; W54-L85 HydrophobicContact CZ3-CG 4.1Å; W54-Y86 CarbonylContact C-O 3.56Å; W54-Y86 WeakPolarHBondContact CA-O 3.46Å; W54-Y86 VanDerWaalsContact CE3-C 3.47Å; W54-K87 HydrophobicContact CD2-CB 3.81Å; W54-K87 HydrophobicContact CD2-CG 4.37Å; W54-K87 HydrophobicContact CE3-CB 3.86Å; W54-K87 HydrophobicContact CG-CB 4.43Å; W54-K87 HydrophobicContact CH2-CB 3.98Å; W54-K87 HydrophobicContact CZ2-CB 3.96Å; W54-K87 HydrophobicContact CZ2-CD 3.93Å; W54-K87 HydrophobicContact CZ2-CG 4.45Å; W54-K87 HydrophobicContact CZ3-CB 3.92Å |
| 55 | H | 98.3 | Very high | 96.9 | Very high | 58 Ų | 58 | 66.5 Ų | 66.5 | 27% | 0.269 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 145.2 | 174.3 | -53.6 | -86.5 | 0 | 0 | 0 | 108.6 | L85 Y86 T88 | H55-L85 WeakPolarHBondContact O-CA 3.25Å; H55-L85 WeakPolarHBondContact O-CD1 3.38Å; H55-Y86 HydrophobicContact CB-CD1 4.14Å; H55-Y86 HydrophobicContact CB-CD2 4.43Å; H55-Y86 HydrophobicContact CB-CE1 3.64Å; H55-Y86 HydrophobicContact CB-CE2 3.95Å; H55-Y86 AromaticContact CD2-CE2 3.7Å; H55-Y86 AromaticContact CG-CZ 3.97Å; H55-Y86 PolarHBondContact N-O 3.08Å; H55-Y86 PolarHBondContact O-N 2.85Å; H55-T88 PolarHBondContact NE2-OG1 3.02Å |
| 56 | C | 98.5 | Very high | 96.7 | Very high | 21 Ų | 21 | 65.4 Ų | 65.4 | 14% | 0.142 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 135.6 | 178.2 | -170.3 | 0 | 0 | 0 | 0 | 110.5 | A39 L42 K43 L84 L85 | A39-C56 HydrophobicContact CB-CB 4.19Å; A39-C56 WeakPolarHBondContact O-CB 3.35Å; L42-C56 HydrophobicContact CB-CB 4.34Å; K43-C56 HydrophobicContact CB-CB 4.36Å; C56-L84 CarbonylContact C-O 3.54Å; C56-L84 VanDerWaalsContact CA-O 3.27Å; C56-L84 WeakPolarHBondContact CA-O 3.4Å; C56-L85 HydrophobicContact CB-CD1 3.99Å |
| 57 | V | 98.2 | Very high | 96.5 | Very high | 57 Ų | 57 | 70.6 Ų | 70.6 | 35% | 0.345 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 129.8 | 173 | -175.4 | 0 | 0 | 0 | 0 | 108 | Y62 L84 | V57-Y62 HydrophobicContact CG1-CD1 4.14Å; V57-Y62 HydrophobicContact CG1-CD2 4.47Å; V57-Y62 HydrophobicContact CG1-CE1 3.99Å; V57-Y62 HydrophobicContact CG1-CE2 4.37Å; V57-Y62 HydrophobicContact CG1-CG 4.37Å; V57-L84 HydrophobicContact CB-CB 4.31Å; V57-L84 PolarHBondContact N-O 3.18Å; V57-L84 PolarHBondContact O-N 3Å |
| 58 | V | 98 | Very high | 96.4 | Very high | 18 Ų | 18 | 73.4 Ų | 73.4 | 11% | 0.109 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 129.9 | 174.7 | -178.4 | 0 | 0 | 0 | 0 | 107.4 | D35 V38 A39 K81 S82 I83 | D35-V58 HydrophobicContact CB-CB 4.05Å; D35-V58 HydrophobicContact CB-CG1 3.88Å; V38-V58 HydrophobicContact CB-CG2 4.28Å; V38-V58 HydrophobicContact CG1-CG2 4.05Å; A39-V58 HydrophobicContact CB-CB 4.46Å; A39-V58 HydrophobicContact CB-CG2 3.89Å; V58-K81 HydrophobicContact CG1-CB 4.34Å; V58-S82 WeakPolarHBondContact CA-O 3.35Å; V58-I83 HydrophobicContact CG2-CG1 4.28Å |
| 59 | G | 96.9 | Very high | 96.3 | Very high | 10 Ų | 10 | 67.9 Ų | 67.9 | 10% | 0.103 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -174.9 | 171.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | K81 S82 | G59-K81 CarbonylContact O-C 3.56Å; G59-K81 WeakPolarHBondContact O-CA 3.23Å; G59-S82 PolarHBondContact N-O 2.94Å; G59-S82 PolarHBondContact O-N 2.94Å; G59-S82 PolarHBondContact O-OG 3.45Å; G59-S82 VanDerWaalsContact O-OG 3.08Å |
| 60 | S | 95.1 | Very high | 96.1 | Very high | 89 Ų | 89 | 69.6 Ų | 69.6 | 62% | 0.622 | 40% | 0.402 | S | S | * | . | S | Bend | trans | -98.8 | -17.1 | 176.4 | 37.6 | 0 | 0 | 0 | 0 | 113 | ||
| 61 | N | 93.9 | Very high | 96 | Very high | 156 Ų | 156 | 73.8 Ų | 73.8 | 83% | 0.834 | 42% | 0.423 | S | S | * | . | S | Bend | trans | -152 | 110.7 | 178.5 | -172.8 | 18.1 | 0 | 0 | 0 | 110.6 | ||
| 62 | Y | 96.5 | Very high | 96 | Very high | 58 Ų | 58 | 72.4 Ų | 72.4 | 23% | 0.227 | 41% | 0.409 | C | S | . | . | trans | -157.7 | 155.1 | 169.9 | 59.7 | -95 | 0 | 0 | 0 | 110 | V57 Y75 S82 L84 | V57-Y62 HydrophobicContact CG1-CD1 4.14Å; V57-Y62 HydrophobicContact CG1-CD2 4.47Å; V57-Y62 HydrophobicContact CG1-CE1 3.99Å; V57-Y62 HydrophobicContact CG1-CE2 4.37Å; V57-Y62 HydrophobicContact CG1-CG 4.37Å; Y62-Y75 HydrophobicContact CE2-CE2 4.41Å; Y62-Y75 WeakPolarHBondContact OH-CE2 3.25Å; Y62-S82 WeakPolarHBondContact CE1-OG 3.38Å; Y62-S82 VanDerWaalsContact CZ-OG 3.23Å; Y62-S82 PolarHBondContact OH-O 2.82Å; Y62-S82 PolarHBondContact OH-OG 2.95Å; Y62-L84 HydrophobicContact CE2-CB 4.26Å; Y62-L84 HydrophobicContact CE2-CD2 4.36Å; Y62-L84 WeakPolarHBondContact OH-CB 2.9Å; Y62-L84 PolarHBondContact OH-N 2.84Å | ||
| 63 | G | 95.1 | Very high | 96.1 | Very high | 79 Ų | 79 | 65.6 Ų | 65.6 | 81% | 0.814 | 38% | 0.384 | S | S | * | . | trans | -105.5 | 150.4 | 159.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 64 | S | 94.6 | Very high | 96.2 | Very high | 67 Ų | 67 | 64.7 Ų | 64.7 | 47% | 0.469 | 38% | 0.378 | S | S | . | . | trans | -136.1 | 135.8 | 178.3 | 57.4 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 65 | N | 95.3 | Very high | 96.2 | Very high | 166 Ų | 166 | 66.9 Ų | 66.9 | 89% | 0.888 | 39% | 0.387 | S | S | * | . | trans | -127.6 | 106.7 | 166 | -174.9 | 6.5 | 0 | 0 | 0 | 107 | ||||
| 66 | I | 94.7 | Very high | 96.2 | Very high | 44 Ų | 44 | 64.1 Ų | 64.1 | 23% | 0.226 | 37% | 0.374 | C | S | . | . | trans | -136.6 | 142.5 | -169 | 62.5 | 99 | 0 | 0 | 0 | 110.2 | H68 F73 Y86 | I66-H68 HydrophobicContact CD1-CB 3.83Å; I66-H68 WeakPolarHBondContact CD1-ND1 3.15Å; I66-F73 HydrophobicContact CD1-CD2 4Å; I66-F73 HydrophobicContact CD1-CE2 4.08Å; I66-Y86 HydrophobicContact CB-CE2 4.23Å; I66-Y86 HydrophobicContact CD1-CD1 4.28Å; I66-Y86 HydrophobicContact CD1-CD2 3.78Å; I66-Y86 HydrophobicContact CD1-CE2 4.26Å; I66-Y86 HydrophobicContact CD1-CG 3.78Å; I66-Y86 HydrophobicContact CG2-CE1 4.35Å; I66-Y86 HydrophobicContact CG2-CE2 4.41Å | ||
| 67 | S | 94.7 | Very high | 96.1 | Very high | 108 Ų | 108 | 67.3 Ų | 67.3 | 76% | 0.755 | 38% | 0.384 | S | S | * | . | trans | -94.4 | 137.4 | 163.8 | -57.1 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 68 | H | 95.2 | Very high | 96 | Very high | 81 Ų | 81 | 64.6 Ų | 64.6 | 38% | 0.375 | 37% | 0.367 | S | S | . | . | trans | -140.7 | 160.8 | 179.8 | 56.1 | -85.4 | 0 | 0 | 0 | 109.1 | I66 F73 Y86 K87 | I66-H68 HydrophobicContact CD1-CB 3.83Å; I66-H68 WeakPolarHBondContact CD1-ND1 3.15Å; H68-F73 WeakPolarHBondContact CD2-CB 3.41Å; H68-F73 AromaticContact CD2-CG 3.8Å; H68-F73 AromaticContact CE1-CD2 3.67Å; H68-F73 AromaticContact CE1-CG 3.82Å; H68-F73 AromaticContact CG-CD2 3.93Å; H68-F73 AromaticContact ND1-CD2 3.72Å; H68-F73 WeakPolarHBondContact NE2-CB 3.27Å; H68-F73 AromaticContact NE2-CD2 3.85Å; H68-F73 AromaticContact NE2-CG 3.54Å; H68-Y86 HydrophobicContact CB-CD2 4.21Å; H68-K87 VanDerWaalsContact CA-O 3.27Å; H68-K87 WeakPolarHBondContact CA-O 3.42Å; H68-K87 WeakPolarHBondContact CB-O 3.2Å | ||
| 69 | V | 95.4 | Very high | 95.5 | Very high | 25 Ų | 25 | 68.9 Ų | 68.9 | 15% | 0.152 | 39% | 0.39 | C | S | . | . | trans | -77.7 | 155.4 | 173.9 | -57.8 | 0 | 0 | 0 | 0 | 111.3 | G72 K87 E89 | V69-G72 PolarHBondContact O-N 2.84Å; V69-G72 VanDerWaalsContact O-N 3.08Å; V69-K87 HydrophobicContact CG2-CB 3.81Å; V69-K87 HydrophobicContact CG2-CD 3.98Å; V69-K87 HydrophobicContact CG2-CG 3.87Å; V69-K87 PolarHBondContact N-O 3.24Å; V69-E89 HydrophobicContact CG1-CB 4Å; V69-E89 HydrophobicContact CG1-CG 3.6Å | ||
| 70 | D | 93.7 | Very high | 95.2 | Very high | 155 Ų | 155 | 78.3 Ų | 78.3 | 83% | 0.829 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.7 | 144.5 | 172.3 | -68 | -20.2 | 0 | 0 | 0 | 111 | G72 | D70-G72 PolarHBondContact O-N 2.93Š|
| 71 | E | 94.8 | Very high | 95.2 | Very high | 133 Ų | 133 | 76.3 Ų | 76.3 | 62% | 0.621 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.1 | -2.6 | -174.3 | -55.2 | -176.4 | -177.5 | 0 | 0 | 116.1 | G12 M13 F73 | G12-E71 VanDerWaalsContact O-CA 3.31Å; G12-E71 WeakPolarHBondContact O-CA 3.34Å; M13-E71 WeakPolarHBondContact CA-O 3.5Å; M13-E71 WeakPolarHBondContact CG-O 3.4Å; E71-F73 PolarHBondContact O-N 2.9Å |
| 72 | G | 96.9 | Very high | 95.3 | Very high | 3 Ų | 3 | 69.1 Ų | 69.1 | 3% | 0.031 | 36% | 0.364 | C | S | . | . | trans | -96.6 | 29.3 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | W54 V69 D70 Y86 K87 | W54-G72 WeakPolarHBondContact CZ3-O 3.44Å; V69-G72 PolarHBondContact O-N 2.84Å; V69-G72 VanDerWaalsContact O-N 3.08Å; D70-G72 PolarHBondContact O-N 2.93Å; G72-Y86 CarbonylContact O-C 3.38Å; G72-Y86 WeakPolarHBondContact O-CA 3.48Å; G72-K87 PolarHBondContact O-N 3.25Å | ||
| 73 | F | 98.1 | Very high | 95.4 | Very high | 27 Ų | 27 | 66.3 Ų | 66.3 | 12% | 0.118 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 135.2 | -170.9 | 172.3 | -86.8 | 0 | 0 | 0 | 114.9 | T11 G12 M13 I66 H68 E71 L84 | T11-F73 CarbonylContact C-O 3.55Å; T11-F73 VanDerWaalsContact CA-O 3.25Å; T11-F73 WeakPolarHBondContact CA-O 3.46Å; T11-F73 PolarHBondContact OG1-O 3.35Å; G12-F73 PolarHBondContact N-O 2.93Å; M13-F73 WeakPolarHBondContact CG-O 3.31Å; I66-F73 HydrophobicContact CD1-CD2 4Å; I66-F73 HydrophobicContact CD1-CE2 4.08Å; H68-F73 WeakPolarHBondContact CD2-CB 3.41Å; H68-F73 AromaticContact CD2-CG 3.8Å; H68-F73 AromaticContact CE1-CD2 3.67Å; H68-F73 AromaticContact CE1-CG 3.82Å; H68-F73 AromaticContact CG-CD2 3.93Å; H68-F73 AromaticContact ND1-CD2 3.72Å; H68-F73 WeakPolarHBondContact NE2-CB 3.27Å; H68-F73 AromaticContact NE2-CD2 3.85Å; H68-F73 AromaticContact NE2-CG 3.54Å; E71-F73 PolarHBondContact O-N 2.9Å; F73-L84 HydrophobicContact CD2-CD1 4.06Å; F73-L84 HydrophobicContact CE2-CD1 3.37Å; F73-L84 HydrophobicContact CZ-CD1 4.03Å |
| 74 | I | 98.6 | Very high | 95.6 | Very high | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 137.7 | 167.3 | -167.9 | 178.1 | 0 | 0 | 0 | 111.1 | V8 M13 Q18 A21 F76 L85 | V8-I74 HydrophobicContact CG1-CG1 4.38Å; M13-I74 HydrophobicContact CE-CB 3.93Å; M13-I74 HydrophobicContact CE-CG2 3.5Å; M13-I74 HydrophobicContact CG-CB 4.5Å; M13-I74 HydrophobicContact SD-CB 3.59Å; M13-I74 VanDerWaalsContact SD-CB 3.59Å; M13-I74 HydrophobicContact SD-CD1 4.48Å; M13-I74 HydrophobicContact SD-CG2 3.56Å; M13-I74 VanDerWaalsContact SD-CG2 3.56Å; Q18-I74 HydrophobicContact CB-CD1 3.99Å; Q18-I74 HydrophobicContact CG-CD1 4.03Å; A21-I74 HydrophobicContact CB-CD1 4.3Å; A21-I74 HydrophobicContact CB-CG2 4.2Å; I74-F76 HydrophobicContact CD1-CD1 3.82Å; I74-F76 HydrophobicContact CD1-CE1 4.26Å; I74-F76 HydrophobicContact CG1-CD1 3.89Å; I74-F76 HydrophobicContact CG2-CD1 4.33Å; I74-F76 HydrophobicContact CG2-CE1 4.32Å; I74-L85 HydrophobicContact CG2-CB 3.83Å; I74-L85 HydrophobicContact CG2-CD2 4.21Å; I74-L85 HydrophobicContact CG2-CG 4.39Å; I74-L85 PolarHBondContact N-O 3Å; I74-L85 PolarHBondContact O-N 2.8Å |
| 75 | Y | 98.4 | Very high | 95.8 | Very high | 50 Ų | 50 | 59.5 Ų | 59.5 | 20% | 0.196 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 119.7 | 171.3 | 177.7 | -119.6 | 0 | 0 | 0 | 109.8 | K9 S10 Y62 Y77 I83 L84 | K9-Y75 HydrophobicContact CB-CD1 3.51Å; K9-Y75 HydrophobicContact CB-CE1 3.84Å; K9-Y75 HydrophobicContact CB-CG 4.49Å; K9-Y75 HydrophobicContact CG-CD1 4.21Å; K9-Y75 HydrophobicContact CG-CE1 4.07Å; K9-Y75 PolarHBondContact N-O 3.19Å; S10-Y75 PolarHBondContact N-O 2.8Å; S10-Y75 PolarHBondContact O-N 3.28Å; Y62-Y75 HydrophobicContact CE2-CE2 4.41Å; Y62-Y75 WeakPolarHBondContact OH-CE2 3.25Å; Y75-Y77 HydrophobicContact CE1-CE2 4.36Å; Y75-Y77 VanDerWaalsContact OH-CZ 3.3Å; Y75-Y77 PolarHBondContact OH-OH 3.08Å; Y75-I83 WeakPolarHBondContact CA-O 3.39Å; Y75-I83 WeakPolarHBondContact CD2-O 3.49Å; Y75-L84 HydrophobicContact CD2-CB 4.13Å; Y75-L84 HydrophobicContact CD2-CD1 4.5Å |
| 76 | F | 98.2 | Very high | 95.9 | Very high | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 157.7 | -178.7 | 67.1 | -86.3 | 0 | 0 | 0 | 112.5 | V6 I7 V8 I22 C25 I74 A78 I83 | V6-F76 HydrophobicContact CG1-CD2 3.82Å; V6-F76 HydrophobicContact CG1-CE2 4.44Å; V6-F76 HydrophobicContact CG1-CG 4.48Å; I7-F76 CarbonylContact O-C 3.49Å; I7-F76 VanDerWaalsContact O-CA 3.26Å; I7-F76 WeakPolarHBondContact O-CA 3.31Å; I7-F76 WeakPolarHBondContact O-CB 3.12Å; V8-F76 HydrophobicContact CB-CB 4.42Å; V8-F76 HydrophobicContact CG2-CB 4.16Å; I22-F76 HydrophobicContact CG1-CD2 4.47Å; I22-F76 HydrophobicContact CG1-CE2 4.34Å; I22-F76 HydrophobicContact CG1-CZ 4.36Å; C25-F76 HydrophobicContact CB-CE2 4.13Å; C25-F76 HydrophobicContact CB-CZ 3.74Å; I74-F76 HydrophobicContact CD1-CD1 3.82Å; I74-F76 HydrophobicContact CD1-CE1 4.26Å; I74-F76 HydrophobicContact CG1-CD1 3.89Å; I74-F76 HydrophobicContact CG2-CD1 4.33Å; I74-F76 HydrophobicContact CG2-CE1 4.32Å; F76-A78 HydrophobicContact CD2-CB 4.36Å; F76-A78 HydrophobicContact CE2-CB 4.14Å; F76-I83 HydrophobicContact CD1-CB 4.09Å; F76-I83 HydrophobicContact CD1-CG2 4.23Å; F76-I83 HydrophobicContact CD2-CB 4.28Å; F76-I83 HydrophobicContact CD2-CD1 4.21Å; F76-I83 HydrophobicContact CE1-CB 3.72Å; F76-I83 HydrophobicContact CE1-CG2 3.5Å; F76-I83 VanDerWaalsContact CE1-CG2 3.5Å; F76-I83 HydrophobicContact CE2-CB 3.92Å; F76-I83 HydrophobicContact CE2-CD1 3.85Å; F76-I83 HydrophobicContact CE2-CG1 3.94Å; F76-I83 HydrophobicContact CE2-CG2 4.37Å; F76-I83 HydrophobicContact CG-CB 4.37Å; F76-I83 HydrophobicContact CZ-CB 3.64Å; F76-I83 HydrophobicContact CZ-CD1 4.37Å; F76-I83 HydrophobicContact CZ-CG1 3.94Å; F76-I83 HydrophobicContact CZ-CG2 3.59Å; F76-I83 PolarHBondContact N-O 2.81Å; F76-I83 PolarHBondContact O-N 2.78Å |
| 77 | Y | 96.8 | Very high | 96.1 | Very high | 88 Ų | 88 | 53.8 Ų | 53.8 | 35% | 0.345 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 138 | 169.1 | -68.7 | -78.3 | 0 | 0 | 0 | 110.4 | V6 I7 K9 Y75 K81 | V6-Y77 CarbonylContact C-O 3.54Å; V6-Y77 VanDerWaalsContact CA-O 3.28Å; V6-Y77 WeakPolarHBondContact CA-O 3.27Å; I7-Y77 PolarHBondContact N-O 2.98Å; I7-Y77 PolarHBondContact O-N 3.13Å; K9-Y77 HydrophobicContact CD-CD2 4.14Å; K9-Y77 HydrophobicContact CD-CE2 4.04Å; K9-Y77 VanDerWaalsContact CE-CD2 3.48Å; K9-Y77 VanDerWaalsContact CE-CE2 3.42Å; K9-Y77 HydrophobicContact CG-CD2 3.57Å; K9-Y77 HydrophobicContact CG-CE2 3.54Å; Y75-Y77 HydrophobicContact CE1-CE2 4.36Å; Y75-Y77 VanDerWaalsContact OH-CZ 3.3Å; Y75-Y77 PolarHBondContact OH-OH 3.08Å; Y77-K81 WeakPolarHBondContact CA-O 3.42Å |
| 78 | A | 94.9 | Very high | 96.2 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 122.5 | 166.1 | 0 | 0 | 0 | 0 | 0 | 108.9 | V6 L26 M29 F76 R80 K81 I83 | V6-A78 HydrophobicContact CG2-CB 4.3Å; L26-A78 HydrophobicContact CD2-CB 4.11Å; M29-A78 HydrophobicContact SD-CB 3.94Å; F76-A78 HydrophobicContact CD2-CB 4.36Å; F76-A78 HydrophobicContact CE2-CB 4.14Å; A78-R80 PolarHBondContact O-N 2.78Å; A78-K81 PolarHBondContact N-O 2.95Å; A78-K81 PolarHBondContact O-N 2.85Å; A78-I83 HydrophobicContact CB-CD1 3.8Å |
| 79 | D | 88.7 | Confident | 95.8 | Very high | 108 Ų | 108 | 53.5 Ų | 53.5 | 58% | 0.578 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.8 | -122.5 | -169.1 | -175 | 41.4 | 0 | 0 | 0 | 111.4 | K5 M29 | K5-D79 PolarHBondContact O-N 3.2Å; M29-D79 HydrophobicContact CE-CB 4.35Å |
| 80 | R | 89.8 | Confident | 94.6 | Very high | 207 Ų | 207 | 60.9 Ų | 60.9 | 78% | 0.781 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100 | 16.5 | 178.6 | -64.2 | -175 | -72.6 | 177.5 | -3.2 | 113.3 | A78 | A78-R80 PolarHBondContact O-N 2.78Š|
| 81 | K | 94.8 | Very high | 92.8 | Very high | 47 Ų | 47 | 63.5 Ų | 63.5 | 20% | 0.204 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 141.8 | -176.7 | -58.7 | -66 | -175.4 | 165.3 | 0 | 110.4 | M29 D35 V58 G59 Y77 A78 I83 | M29-K81 HydrophobicContact CE-CG 4.3Å; D35-K81 WeakPolarHBondContact OD1-CE 3.44Å; D35-K81 IonicContact OD1-NZ 3.85Å; D35-K81 PolarHBondContact OD1-NZ 3.33Å; D35-K81 IonicContact OD2-NZ 3.61Å; D35-K81 PolarHBondContact OD2-NZ 3.17Å; V58-K81 HydrophobicContact CG1-CB 4.34Å; G59-K81 CarbonylContact O-C 3.56Å; G59-K81 WeakPolarHBondContact O-CA 3.23Å; Y77-K81 WeakPolarHBondContact CA-O 3.42Å; A78-K81 PolarHBondContact N-O 2.95Å; A78-K81 PolarHBondContact O-N 2.85Å; K81-I83 HydrophobicContact CB-CD1 4.31Å |
| 82 | S | 96.9 | Very high | 92.7 | Very high | 5 Ų | 5 | 60.1 Ų | 60.1 | 4% | 0.035 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 137.1 | 165 | 52 | 0 | 0 | 0 | 0 | 110.2 | V58 G59 Y62 | V58-S82 WeakPolarHBondContact CA-O 3.35Å; G59-S82 PolarHBondContact N-O 2.94Å; G59-S82 PolarHBondContact O-N 2.94Å; G59-S82 PolarHBondContact O-OG 3.45Å; G59-S82 VanDerWaalsContact O-OG 3.08Å; Y62-S82 WeakPolarHBondContact CE1-OG 3.38Å; Y62-S82 VanDerWaalsContact CZ-OG 3.23Å; Y62-S82 PolarHBondContact OH-O 2.82Å; Y62-S82 PolarHBondContact OH-OG 2.95Å |
| 83 | I | 98.3 | Very high | 92.4 | Very high | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 121 | 179.2 | -63.7 | 78.6 | 0 | 0 | 0 | 107.2 | L42 V58 Y75 F76 A78 K81 | L42-I83 HydrophobicContact CD1-CG2 3.81Å; V58-I83 HydrophobicContact CG2-CG1 4.28Å; Y75-I83 WeakPolarHBondContact CA-O 3.39Å; Y75-I83 WeakPolarHBondContact CD2-O 3.49Å; F76-I83 HydrophobicContact CD1-CB 4.09Å; F76-I83 HydrophobicContact CD1-CG2 4.23Å; F76-I83 HydrophobicContact CD2-CB 4.28Å; F76-I83 HydrophobicContact CD2-CD1 4.21Å; F76-I83 HydrophobicContact CE1-CB 3.72Å; F76-I83 HydrophobicContact CE1-CG2 3.5Å; F76-I83 VanDerWaalsContact CE1-CG2 3.5Å; F76-I83 HydrophobicContact CE2-CB 3.92Å; F76-I83 HydrophobicContact CE2-CD1 3.85Å; F76-I83 HydrophobicContact CE2-CG1 3.94Å; F76-I83 HydrophobicContact CE2-CG2 4.37Å; F76-I83 HydrophobicContact CG-CB 4.37Å; F76-I83 HydrophobicContact CZ-CB 3.64Å; F76-I83 HydrophobicContact CZ-CD1 4.37Å; F76-I83 HydrophobicContact CZ-CG1 3.94Å; F76-I83 HydrophobicContact CZ-CG2 3.59Å; F76-I83 PolarHBondContact N-O 2.81Å; F76-I83 PolarHBondContact O-N 2.78Å; A78-I83 HydrophobicContact CB-CD1 3.8Å; K81-I83 HydrophobicContact CB-CD1 4.31Å |
| 84 | L | 98.5 | Very high | 92.1 | Very high | 3 Ų | 3 | 65.1 Ų | 65.1 | 2% | 0.016 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 117.2 | 171.1 | 171.4 | 63.6 | 0 | 0 | 0 | 107.4 | C56 V57 Y62 F73 Y75 Y86 | C56-L84 CarbonylContact C-O 3.54Å; C56-L84 VanDerWaalsContact CA-O 3.27Å; C56-L84 WeakPolarHBondContact CA-O 3.4Å; V57-L84 HydrophobicContact CB-CB 4.31Å; V57-L84 PolarHBondContact N-O 3.18Å; V57-L84 PolarHBondContact O-N 3Å; Y62-L84 HydrophobicContact CE2-CB 4.26Å; Y62-L84 HydrophobicContact CE2-CD2 4.36Å; Y62-L84 WeakPolarHBondContact OH-CB 2.9Å; Y62-L84 PolarHBondContact OH-N 2.84Å; F73-L84 HydrophobicContact CD2-CD1 4.06Å; F73-L84 HydrophobicContact CE2-CD1 3.37Å; F73-L84 HydrophobicContact CZ-CD1 4.03Å; Y75-L84 HydrophobicContact CD2-CB 4.13Å; Y75-L84 HydrophobicContact CD2-CD1 4.5Å; L84-Y86 HydrophobicContact CD1-CD1 4.27Å; L84-Y86 HydrophobicContact CD2-CD1 4.27Å; L84-Y86 HydrophobicContact CD2-CE1 4.23Å; L84-Y86 HydrophobicContact CG-CD1 3.9Å; L84-Y86 HydrophobicContact CG-CE1 4.29Å |
| 85 | L | 98.7 | Very high | 91.7 | Very high | 0 Ų | 0 | 68.9 Ų | 68.9 | 0% | 0 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 121.4 | 178 | 173.4 | 67.3 | 0 | 0 | 0 | 108.1 | M13 A21 L42 F46 W54 H55 C56 I74 | M13-L85 HydrophobicContact CE-CD2 4.26Å; M13-L85 HydrophobicContact CE-CG 4.33Å; A21-L85 HydrophobicContact CB-CD2 4.08Å; L42-L85 HydrophobicContact CB-CD1 4.38Å; L42-L85 HydrophobicContact CD2-CD2 4.35Å; F46-L85 HydrophobicContact CD1-CD2 3.68Å; F46-L85 HydrophobicContact CD1-CG 4.37Å; F46-L85 HydrophobicContact CD2-CD2 3.93Å; F46-L85 HydrophobicContact CE1-CD2 3.63Å; F46-L85 HydrophobicContact CE2-CD2 3.89Å; F46-L85 HydrophobicContact CG-CD1 4.48Å; F46-L85 HydrophobicContact CG-CD2 3.86Å; F46-L85 HydrophobicContact CZ-CD2 3.76Å; W54-L85 HydrophobicContact CB-CD1 4.48Å; W54-L85 HydrophobicContact CE3-CD1 3.81Å; W54-L85 HydrophobicContact CE3-CG 3.85Å; W54-L85 HydrophobicContact CZ3-CG 4.1Å; H55-L85 WeakPolarHBondContact O-CA 3.25Å; H55-L85 WeakPolarHBondContact O-CD1 3.38Å; C56-L85 HydrophobicContact CB-CD1 3.99Å; I74-L85 HydrophobicContact CG2-CB 3.83Å; I74-L85 HydrophobicContact CG2-CD2 4.21Å; I74-L85 HydrophobicContact CG2-CG 4.39Å; I74-L85 PolarHBondContact N-O 3Å; I74-L85 PolarHBondContact O-N 2.8Å |
| 86 | Y | 98.4 | Very high | 91.3 | Very high | 37 Ų | 37 | 70.1 Ų | 70.1 | 15% | 0.145 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 152.5 | -175.8 | 68 | -80.6 | 0 | 0 | 0 | 113 | W54 H55 I66 H68 G72 L84 T88 | W54-Y86 CarbonylContact C-O 3.56Å; W54-Y86 WeakPolarHBondContact CA-O 3.46Å; W54-Y86 VanDerWaalsContact CE3-C 3.47Å; H55-Y86 HydrophobicContact CB-CD1 4.14Å; H55-Y86 HydrophobicContact CB-CD2 4.43Å; H55-Y86 HydrophobicContact CB-CE1 3.64Å; H55-Y86 HydrophobicContact CB-CE2 3.95Å; H55-Y86 AromaticContact CD2-CE2 3.7Å; H55-Y86 AromaticContact CG-CZ 3.97Å; H55-Y86 PolarHBondContact N-O 3.08Å; H55-Y86 PolarHBondContact O-N 2.85Å; I66-Y86 HydrophobicContact CB-CE2 4.23Å; I66-Y86 HydrophobicContact CD1-CD1 4.28Å; I66-Y86 HydrophobicContact CD1-CD2 3.78Å; I66-Y86 HydrophobicContact CD1-CE2 4.26Å; I66-Y86 HydrophobicContact CD1-CG 3.78Å; I66-Y86 HydrophobicContact CG2-CE1 4.35Å; I66-Y86 HydrophobicContact CG2-CE2 4.41Å; H68-Y86 HydrophobicContact CB-CD2 4.21Å; G72-Y86 CarbonylContact O-C 3.38Å; G72-Y86 WeakPolarHBondContact O-CA 3.48Å; L84-Y86 HydrophobicContact CD1-CD1 4.27Å; L84-Y86 HydrophobicContact CD2-CD1 4.27Å; L84-Y86 HydrophobicContact CD2-CE1 4.23Å; L84-Y86 HydrophobicContact CG-CD1 3.9Å; L84-Y86 HydrophobicContact CG-CE1 4.29Å; Y86-T88 HydrophobicContact CD2-CG2 3.93Å; Y86-T88 HydrophobicContact CE2-CG2 3.74Å |
| 87 | K | 98 | Very high | 90.9 | Very high | 52 Ų | 52 | 74.7 Ų | 74.7 | 23% | 0.226 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 140.3 | 177.4 | -174.6 | 176.7 | -178.6 | 178.9 | 0 | 110.3 | Y50 R52 T53 W54 H68 V69 G72 | Y50-K87 PolarHBondContact O-NZ 2.97Å; R52-K87 WeakPolarHBondContact O-CE 3.46Å; T53-K87 WeakPolarHBondContact O-CA 3.27Å; W54-K87 HydrophobicContact CD2-CB 3.81Å; W54-K87 HydrophobicContact CD2-CG 4.37Å; W54-K87 HydrophobicContact CE3-CB 3.86Å; W54-K87 HydrophobicContact CG-CB 4.43Å; W54-K87 HydrophobicContact CH2-CB 3.98Å; W54-K87 HydrophobicContact CZ2-CB 3.96Å; W54-K87 HydrophobicContact CZ2-CD 3.93Å; W54-K87 HydrophobicContact CZ2-CG 4.45Å; W54-K87 HydrophobicContact CZ3-CB 3.92Å; H68-K87 VanDerWaalsContact CA-O 3.27Å; H68-K87 WeakPolarHBondContact CA-O 3.42Å; H68-K87 WeakPolarHBondContact CB-O 3.2Å; V69-K87 HydrophobicContact CG2-CB 3.81Å; V69-K87 HydrophobicContact CG2-CD 3.98Å; V69-K87 HydrophobicContact CG2-CG 3.87Å; V69-K87 PolarHBondContact N-O 3.24Å; G72-K87 PolarHBondContact O-N 3.25Å |
| 88 | T | 96.5 | Very high | 90.4 | Very high | 36 Ų | 36 | 73.8 Ų | 73.8 | 22% | 0.221 | 35% | 0.348 | C | S | . | . | trans | -118.5 | 147.8 | 172.2 | 61.5 | 0 | 0 | 0 | 0 | 109.9 | T53 H55 Y86 | T53-T88 PolarHBondContact O-N 3.01Å; H55-T88 PolarHBondContact NE2-OG1 3.02Å; Y86-T88 HydrophobicContact CD2-CG2 3.93Å; Y86-T88 HydrophobicContact CE2-CG2 3.74Å | ||
| 89 | E | 87.3 | Confident | 90.1 | Very high | 148 Ų | 148 | 79.5 Ų | 79.5 | 69% | 0.692 | 38% | 0.375 | S | S | * | . | trans | -80.3 | 154.6 | 162.5 | -90.8 | 161.9 | -160.2 | 0 | 0 | 110.6 | V69 V91 | V69-E89 HydrophobicContact CG1-CB 4Å; V69-E89 HydrophobicContact CG1-CG 3.6Å; E89-V91 PolarHBondContact O-N 2.91Å | ||
| 90 | Y | 70.8 | Confident | 90.2 | Very high | 179 Ų | 179 | 77.1 Ų | 77.1 | 70% | 0.702 | 36% | 0.358 | S | S | * | . | trans | -72.2 | 118.3 | 160.9 | -69 | -84.3 | 0 | 0 | 0 | 106.4 | T53 | T53-Y90 PolarHBondContact OG1-OH 3.4Š| ||
| 91 | V | 54.6 | Low | 90.3 | Very high | 211 Ų | 211 | 65.3 Ų | 65.3 | 100% | 1.279 | 32% | 0.32 | S | S | * | . | trans | -75.7 | 0 | 159.6 | -151.1 | 0 | 0 | 0 | 0 | 108.4 | E89 | E89-V91 PolarHBondContact O-N 2.91Š|
Retrieved 91 of 91 residues in 313.5 ms
(Link to these results)