| 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 | 41.7 | Very low | 75.5 | Confident | 208 Ų | 208 | 98.1 Ų | 98.1 | 100% | 1.025 | 48% | 0.475 | S | S | * | . | 0 | 116.3 | 0 | -165.1 | 175.1 | -79.2 | 0 | 0 | 106.6 | H3 | M1-H3 PolarHBondContact O-N 3.33Å; M1-H3 VanDerWaalsContact O-N 3.16Å | |||
| 2 | R | 48.3 | Very low | 76.6 | Confident | 233 Ų | 233 | 91.9 Ų | 91.9 | 88% | 0.879 | 46% | 0.456 | S | S | * | . | trans | -72.3 | 102.8 | 178.5 | -86.8 | 179.8 | 171.6 | 170.9 | -3.2 | 107.3 | L4 | R2-L4 PolarHBondContact O-N 2.95Š| ||
| 3 | H | 55.8 | Low | 77.3 | Confident | 104 Ų | 104 | 92 Ų | 92 | 48% | 0.481 | 47% | 0.468 | S | S | . | . | trans | -74.8 | 104.7 | 167.5 | -61.6 | -72.1 | 0 | 0 | 0 | 106.6 | M1 V5 | M1-H3 PolarHBondContact O-N 3.33Å; M1-H3 VanDerWaalsContact O-N 3.16Å; H3-V5 PolarHBondContact O-N 3.12Å | ||
| 4 | L | 68.7 | Low | 78.1 | Confident | 93 Ų | 93 | 99.3 Ų | 99.3 | 49% | 0.487 | 49% | 0.489 | S | S | . | . | trans | -71.5 | 120.7 | 178.8 | -61.9 | 167.3 | 0 | 0 | 0 | 107.5 | R2 D23 | R2-L4 PolarHBondContact O-N 2.95Å; L4-D23 WeakPolarHBondContact CB-OD2 3.34Å | ||
| 5 | V | 67.4 | Low | 79.1 | Confident | 87 Ų | 87 | 95.7 Ų | 95.7 | 53% | 0.527 | 48% | 0.477 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 127.1 | 168.7 | 174.4 | 0 | 0 | 0 | 0 | 107.7 | H3 V8 | H3-V5 PolarHBondContact O-N 3.12Å; V5-V8 HydrophobicContact CG1-CG2 3.29Å |
| 6 | K | 82.2 | Confident | 79.9 | Confident | 93 Ų | 93 | 90.8 Ų | 90.8 | 40% | 0.404 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | -104.7 | -179.9 | -63.9 | -68.5 | -176.5 | 176.3 | 0 | 109.9 | G21 D23 V49 | K6-G21 PolarHBondContact N-O 2.91Å; K6-G21 VanDerWaalsContact N-O 3.09Å; K6-D23 VanDerWaalsContact CE-CG 3.4Å; K6-D23 WeakPolarHBondContact CE-OD1 2.86Å; K6-D23 WeakPolarHBondContact CE-OD2 3.46Å; K6-D23 IonicContact NZ-OD1 3.6Å; K6-D23 IonicContact NZ-OD2 3.66Å; K6-V49 WeakPolarHBondContact CB-O 3.15Å |
| 7 | G | 88.7 | Confident | 80.7 | Confident | 16 Ų | 16 | 85.5 Ų | 85.5 | 17% | 0.165 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.8 | 141.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111 | S20 G21 N50 L52 | G7-S20 VanDerWaalsContact O-CA 3.28Å; G7-S20 WeakPolarHBondContact O-CA 3.41Å; G7-G21 PolarHBondContact O-N 3.49Å; G7-N50 WeakPolarHBondContact CA-O 3.35Å; G7-N50 PolarHBondContact N-O 2.82Å; G7-L52 WeakPolarHBondContact O-CD1 3.49Å |
| 8 | V | 94.6 | Very high | 81.4 | Confident | 85 Ų | 85 | 82.4 Ų | 82.4 | 52% | 0.515 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 132.9 | 173.4 | -176.8 | 0 | 0 | 0 | 0 | 107.9 | V5 V18 V19 | V5-V8 HydrophobicContact CG1-CG2 3.29Å; V8-V18 HydrophobicContact CG1-CG1 3.5Å; V8-V19 CarbonylContact C-O 3.56Å; V8-V19 VanDerWaalsContact CA-O 3.28Å; V8-V19 WeakPolarHBondContact CA-O 3.4Å |
| 9 | N | 96 | Very high | 82.1 | Confident | 46 Ų | 46 | 78.1 Ų | 78.1 | 25% | 0.246 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 160.1 | 177.6 | -145.1 | -40.3 | 0 | 0 | 0 | 111.5 | V18 V19 L52 P54 | N9-V18 CarbonylContact O-C 3.55Å; N9-V18 WeakPolarHBondContact O-CA 3.08Å; N9-V19 HydrophobicContact CB-CG2 3.94Å; N9-V19 PolarHBondContact N-O 3.45Å; N9-V19 WeakPolarHBondContact O-CG2 3.49Å; N9-V19 PolarHBondContact O-N 2.83Å; N9-L52 PolarHBondContact ND2-O 3.2Å; N9-P54 HydrophobicContact CB-CG 3.97Å; N9-P54 WeakPolarHBondContact ND2-CD 3.48Å |
| 10 | F | 94.9 | Very high | 82.8 | Confident | 109 Ų | 109 | 74.4 Ų | 74.4 | 48% | 0.478 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 144.7 | 170.4 | -70.9 | -72.5 | 0 | 0 | 0 | 110.1 | V18 K32 P54 | F10-V18 HydrophobicContact CD1-CG2 3.94Å; F10-V18 HydrophobicContact CE1-CG2 3.94Å; F10-K32 HydrophobicContact CE1-CD 4.36Å; F10-P54 WeakPolarHBondContact O-CG 3.37Å |
| 11 | Y | 92.4 | Very high | 83.3 | Confident | 5 Ų | 5 | 70.8 Ų | 70.8 | 2% | 0.02 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 145.2 | 179.4 | -177.1 | -84.7 | 0 | 0 | 0 | 110.7 | E16 F17 V19 F29 P54 S59 L61 M82 | Y11-E16 PolarHBondContact O-N 3.02Å; Y11-F17 HydrophobicContact CD1-CB 4.33Å; Y11-F17 HydrophobicContact CD1-CD2 4.18Å; Y11-F17 PolarHBondContact N-O 2.85Å; Y11-F17 PolarHBondContact O-N 3.3Å; Y11-V19 HydrophobicContact CD2-CG1 4.4Å; Y11-V19 HydrophobicContact CG-CG1 4.13Å; Y11-F29 HydrophobicContact CD1-CD1 4.36Å; Y11-F29 AromaticContact CD1-CE1 3.78Å; Y11-F29 HydrophobicContact CD1-CE1 3.78Å; Y11-F29 HydrophobicContact CD2-CE1 4.28Å; Y11-F29 AromaticContact CE1-CE1 3.95Å; Y11-F29 HydrophobicContact CE1-CE1 3.95Å; Y11-F29 HydrophobicContact CE2-CE1 4.44Å; Y11-F29 AromaticContact CG-CE1 3.97Å; Y11-F29 HydrophobicContact CG-CE1 3.97Å; Y11-P54 HydrophobicContact CD2-CB 4.04Å; Y11-S59 PolarHBondContact OH-O 2.93Å; Y11-L61 HydrophobicContact CE2-CB 4.13Å; Y11-M82 HydrophobicContact CE1-CE 4.42Å; Y11-M82 HydrophobicContact CE1-SD 4.06Å |
| 12 | G | 88.6 | Confident | 85.6 | Confident | 24 Ų | 24 | 61.1 Ų | 61.1 | 25% | 0.247 | 31% | 0.307 | C | S | . | . | S | Bend | trans | 97.1 | 156.8 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y14 S15 E16 | G12-Y14 PolarHBondContact O-N 3.5Å; G12-Y14 VanDerWaalsContact O-N 3.12Å; G12-S15 PolarHBondContact O-N 2.75Å; G12-E16 WeakPolarHBondContact CA-OE1 3.4Å |
| 13 | P | 85.2 | Confident | 87.6 | Confident | 93 Ų | 93 | 52.7 Ų | 52.7 | 60% | 0.604 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -23.9 | -173.6 | 25.3 | -36.5 | 0 | 0 | 0 | 113.4 | E16 M82 | P13-E16 WeakPolarHBondContact CD-OE1 3.25Å; P13-M82 HydrophobicContact CG-CE 4.15Å |
| 14 | Y | 89.7 | Confident | 89.1 | Confident | 194 Ų | 194 | 49.6 Ų | 49.6 | 76% | 0.761 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115.7 | 16.6 | 178.2 | -55.4 | -68.9 | 0 | 0 | 0 | 112.2 | G12 E16 | G12-Y14 PolarHBondContact O-N 3.5Å; G12-Y14 VanDerWaalsContact O-N 3.12Å; Y14-E16 WeakPolarHBondContact CA-OE2 3.47Å; Y14-E16 PolarHBondContact N-OE2 3.37Å; Y14-E16 PolarHBondContact O-N 2.88Å |
| 15 | S | 91.9 | Very high | 90.1 | Very high | 45 Ų | 45 | 45.2 Ų | 45.2 | 32% | 0.315 | 25% | 0.247 | S | C | . | . | trans | 51.7 | 37.9 | -174.2 | -58 | 0 | 0 | 0 | 0 | 112 | G12 F17 K32 | G12-S15 PolarHBondContact O-N 2.75Å; S15-F17 PolarHBondContact O-N 2.77Å; S15-K32 WeakPolarHBondContact O-CD 3.44Å | ||
| 16 | E | 92 | Very high | 91.3 | Very high | 17 Ų | 17 | 43.3 Ų | 43.3 | 8% | 0.079 | 23% | 0.232 | C | C | . | . | trans | -74.5 | -16.3 | -178.4 | 69.6 | -78.7 | -178.8 | 0 | 0 | 112.3 | Y11 G12 P13 Y14 K32 | Y11-E16 PolarHBondContact O-N 3.02Å; G12-E16 WeakPolarHBondContact CA-OE1 3.4Å; P13-E16 WeakPolarHBondContact CD-OE1 3.25Å; Y14-E16 WeakPolarHBondContact CA-OE2 3.47Å; Y14-E16 PolarHBondContact N-OE2 3.37Å; Y14-E16 PolarHBondContact O-N 2.88Å; E16-K32 VanDerWaalsContact O-CB 3.26Å; E16-K32 WeakPolarHBondContact O-CB 3.4Å; E16-K32 PolarHBondContact O-N 3Å | ||
| 17 | F | 93.4 | Very high | 91.7 | Very high | 2 Ų | 2 | 38.9 Ų | 38.9 | 1% | 0.009 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 153.7 | 173.5 | -54.7 | -71.2 | 0 | 0 | 0 | 112.2 | Y11 S15 W30 E31 V38 L87 | Y11-F17 HydrophobicContact CD1-CB 4.33Å; Y11-F17 HydrophobicContact CD1-CD2 4.18Å; Y11-F17 PolarHBondContact N-O 2.85Å; Y11-F17 PolarHBondContact O-N 3.3Å; S15-F17 PolarHBondContact O-N 2.77Å; F17-W30 CarbonylContact C-O 3.47Å; F17-W30 WeakPolarHBondContact CA-O 3.16Å; F17-E31 HydrophobicContact CD1-CB 4.45Å; F17-E31 HydrophobicContact CE1-CB 4.39Å; F17-V38 HydrophobicContact CD1-CG2 4.13Å; F17-V38 HydrophobicContact CE1-CG2 4.13Å; F17-L87 HydrophobicContact CD1-CD1 3.86Å; F17-L87 HydrophobicContact CD2-CD1 3.45Å; F17-L87 VanDerWaalsContact CD2-CD1 3.45Å; F17-L87 HydrophobicContact CE1-CD1 3.69Å; F17-L87 HydrophobicContact CE2-CD1 3.24Å; F17-L87 HydrophobicContact CE2-CG 4.03Å; F17-L87 HydrophobicContact CG-CD1 3.77Å; F17-L87 HydrophobicContact CZ-CB 4.44Å; F17-L87 HydrophobicContact CZ-CD1 3.39Å; F17-L87 HydrophobicContact CZ-CG 4.07Å |
| 18 | V | 94.7 | Very high | 91.9 | Very high | 30 Ų | 30 | 40.6 Ų | 40.6 | 18% | 0.182 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 137.8 | 163.7 | 177.1 | 0 | 0 | 0 | 0 | 107.1 | V8 N9 F10 F29 W30 | V8-V18 HydrophobicContact CG1-CG1 3.5Å; N9-V18 CarbonylContact O-C 3.55Å; N9-V18 WeakPolarHBondContact O-CA 3.08Å; F10-V18 HydrophobicContact CD1-CG2 3.94Å; F10-V18 HydrophobicContact CE1-CG2 3.94Å; V18-F29 WeakPolarHBondContact O-CA 3.14Å; V18-W30 HydrophobicContact CB-CB 4.2Å; V18-W30 PolarHBondContact N-O 3Å; V18-W30 VanDerWaalsContact O-CD1 3.31Å; V18-W30 PolarHBondContact O-N 3.24Å |
| 19 | V | 94.5 | Very high | 91.9 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 141.5 | 172.8 | -67.6 | 0 | 0 | 0 | 0 | 109.9 | V8 N9 Y11 Y28 F29 L52 L61 | V8-V19 CarbonylContact C-O 3.56Å; V8-V19 VanDerWaalsContact CA-O 3.28Å; V8-V19 WeakPolarHBondContact CA-O 3.4Å; N9-V19 HydrophobicContact CB-CG2 3.94Å; N9-V19 PolarHBondContact N-O 3.45Å; N9-V19 WeakPolarHBondContact O-CG2 3.49Å; N9-V19 PolarHBondContact O-N 2.83Å; Y11-V19 HydrophobicContact CD2-CG1 4.4Å; Y11-V19 HydrophobicContact CG-CG1 4.13Å; V19-Y28 CarbonylContact C-O 3.59Å; V19-Y28 VanDerWaalsContact CA-O 3.26Å; V19-Y28 WeakPolarHBondContact CA-O 3.26Å; V19-F29 HydrophobicContact CG1-CD1 3.56Å; V19-F29 HydrophobicContact CG1-CD2 4.07Å; V19-F29 HydrophobicContact CG1-CE1 3.38Å; V19-F29 HydrophobicContact CG1-CE2 3.88Å; V19-F29 HydrophobicContact CG1-CG 3.92Å; V19-F29 HydrophobicContact CG1-CZ 3.55Å; V19-L52 HydrophobicContact CB-CD2 4.06Å; V19-L52 HydrophobicContact CG2-CB 4.25Å; V19-L52 HydrophobicContact CG2-CD2 4.16Å; V19-L61 HydrophobicContact CG1-CD2 4.34Å; V19-L61 HydrophobicContact CG2-CD1 4.16Å |
| 20 | S | 94.8 | Very high | 91.8 | Very high | 3 Ų | 3 | 38.3 Ų | 38.3 | 2% | 0.021 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 140.8 | 176.8 | 68 | 0 | 0 | 0 | 0 | 112.6 | G7 I27 Y28 W30 | G7-S20 VanDerWaalsContact O-CA 3.28Å; G7-S20 WeakPolarHBondContact O-CA 3.41Å; S20-I27 WeakPolarHBondContact O-CA 3.47Å; S20-Y28 PolarHBondContact N-O 2.75Å; S20-Y28 PolarHBondContact O-N 3.42Å; S20-W30 PolarHBondContact OG-NE1 3.04Å |
| 21 | G | 93.5 | Very high | 91.8 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 155.4 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112 | K6 G7 | K6-G21 PolarHBondContact N-O 2.91Å; K6-G21 VanDerWaalsContact N-O 3.09Å; G7-G21 PolarHBondContact O-N 3.49Å |
| 22 | S | 90.8 | Very high | 91.8 | Very high | 4 Ų | 4 | 40 Ų | 40 | 3% | 0.028 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 152.8 | -176.7 | 179.4 | 0 | 0 | 0 | 0 | 112 | C24 G25 H26 V49 | S22-C24 PolarHBondContact O-N 3.23Å; S22-C24 VanDerWaalsContact O-N 3.12Å; S22-C24 PolarHBondContact OG-N 3.11Å; S22-C24 PolarHBondContact OG-SG 3.34Å; S22-G25 PolarHBondContact O-N 3.11Å; S22-H26 PolarHBondContact N-O 2.93Å; S22-V49 PolarHBondContact O-N 3.23Å |
| 23 | D | 90.1 | Very high | 92.1 | Very high | 56 Ų | 56 | 45.3 Ų | 45.3 | 30% | 0.299 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | 5.1 | 168.1 | -74.9 | -12.4 | 0 | 0 | 0 | 114.3 | L4 K6 G47 V48 | L4-D23 WeakPolarHBondContact CB-OD2 3.34Å; K6-D23 VanDerWaalsContact CE-CG 3.4Å; K6-D23 WeakPolarHBondContact CE-OD1 2.86Å; K6-D23 WeakPolarHBondContact CE-OD2 3.46Å; K6-D23 IonicContact NZ-OD1 3.6Å; K6-D23 IonicContact NZ-OD2 3.66Å; D23-G47 CarbonylContact C-O 3.57Å; D23-G47 WeakPolarHBondContact CA-O 3.34Å; D23-V48 WeakPolarHBondContact OD1-CG1 3.26Å |
| 24 | C | 88.1 | Confident | 92.6 | Very high | 40 Ų | 40 | 43.9 Ų | 43.9 | 27% | 0.27 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103.5 | 11.2 | 165.7 | 66.7 | 0 | 0 | 0 | 0 | 113 | S22 H26 G47 | S22-C24 PolarHBondContact O-N 3.23Å; S22-C24 VanDerWaalsContact O-N 3.12Å; S22-C24 PolarHBondContact OG-N 3.11Å; S22-C24 PolarHBondContact OG-SG 3.34Å; C24-H26 PolarHBondContact O-N 3.29Å; C24-H26 PolarHBondContact O-ND1 3.13Å; C24-H26 PolarHBondContact SG-ND1 3.04Å; C24-G47 CarbonylContact C-O 3.46Å; C24-G47 VanDerWaalsContact C-O 3.26Å; C24-G47 WeakPolarHBondContact CA-O 3.47Å; C24-G47 PolarHBondContact N-O 3.13Å |
| 25 | G | 89.3 | Confident | 92.8 | Very high | 1 Ų | 1 | 41.9 Ų | 41.9 | 1% | 0.01 | 21% | 0.207 | C | C | . | . | S | Bend | trans | 76.6 | 10.7 | 177 | 0 | 0 | 0 | 0 | 0 | 113.3 | S22 G43 D44 G47 | S22-G25 PolarHBondContact O-N 3.11Å; G25-G43 WeakPolarHBondContact O-CA 3.39Å; G25-G43 PolarHBondContact O-N 3.28Å; G25-D44 PolarHBondContact O-N 3.26Å; G25-G47 WeakPolarHBondContact CA-O 3.39Å; G25-G47 PolarHBondContact N-O 2.96Å |
| 26 | H | 91.1 | Very high | 92.9 | Very high | 47 Ų | 47 | 45.5 Ų | 45.5 | 22% | 0.218 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 147.8 | -179.3 | -69 | 81.8 | 0 | 0 | 0 | 112.1 | S22 C24 Y28 F40 M41 S42 | S22-H26 PolarHBondContact N-O 2.93Å; C24-H26 PolarHBondContact O-N 3.29Å; C24-H26 PolarHBondContact O-ND1 3.13Å; C24-H26 PolarHBondContact SG-ND1 3.04Å; H26-Y28 HydrophobicContact CB-CD2 4.33Å; H26-Y28 HydrophobicContact CB-CE2 3.62Å; H26-F40 AromaticContact CD2-CD2 3.82Å; H26-M41 CarbonylContact C-O 3.59Å; H26-M41 VanDerWaalsContact CA-O 3.25Å; H26-M41 WeakPolarHBondContact CA-O 3.5Å; H26-S42 PolarHBondContact NE2-OG 2.99Å |
| 27 | I | 92 | Very high | 93 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 130.4 | 168.1 | -58.7 | 158.9 | 0 | 0 | 0 | 107 | S20 F29 F40 M41 V49 L52 L61 T63 W73 | S20-I27 WeakPolarHBondContact O-CA 3.47Å; I27-F29 HydrophobicContact CG2-CD2 4.17Å; I27-F29 HydrophobicContact CG2-CE2 3.75Å; I27-F40 CarbonylContact O-C 2.85Å; I27-F40 WeakPolarHBondContact O-CA 3.46Å; I27-M41 HydrophobicContact CB-CE 4.43Å; I27-M41 HydrophobicContact CD1-CE 4.4Å; I27-M41 HydrophobicContact CG2-CE 4.32Å; I27-M41 PolarHBondContact N-O 3.15Å; I27-M41 PolarHBondContact O-N 3.14Å; I27-V49 HydrophobicContact CG1-CG1 4.17Å; I27-V49 HydrophobicContact CG1-CG2 4.14Å; I27-L52 HydrophobicContact CG1-CD2 4.41Å; I27-L52 HydrophobicContact CG2-CD2 3.76Å; I27-L61 HydrophobicContact CG2-CD2 4.21Å; I27-T63 HydrophobicContact CD1-CG2 3.69Å; I27-T63 HydrophobicContact CG1-CG2 4.29Å; I27-W73 HydrophobicContact CD1-CD2 4.33Å; I27-W73 HydrophobicContact CD1-CZ2 3.75Å |
| 28 | Y | 93 | Very high | 93 | Very high | 52 Ų | 52 | 49.6 Ų | 49.6 | 20% | 0.204 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 139.5 | 176.8 | -64 | -92.5 | 0 | 0 | 0 | 110.2 | V19 S20 H26 I37 F40 | V19-Y28 CarbonylContact C-O 3.59Å; V19-Y28 VanDerWaalsContact CA-O 3.26Å; V19-Y28 WeakPolarHBondContact CA-O 3.26Å; S20-Y28 PolarHBondContact N-O 2.75Å; S20-Y28 PolarHBondContact O-N 3.42Å; H26-Y28 HydrophobicContact CB-CD2 4.33Å; H26-Y28 HydrophobicContact CB-CE2 3.62Å; Y28-I37 HydrophobicContact CD1-CD1 3.97Å; Y28-I37 HydrophobicContact CD1-CG2 4.13Å; Y28-I37 HydrophobicContact CE1-CD1 4.35Å; Y28-F40 HydrophobicContact CD1-CB 3.61Å; Y28-F40 HydrophobicContact CE1-CB 3.75Å; Y28-F40 HydrophobicContact CE1-CG 4.42Å; Y28-F40 HydrophobicContact CG-CB 4.36Å |
| 29 | F | 93.4 | Very high | 92.7 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 124.9 | 170.7 | -76.9 | -111.9 | 0 | 0 | 0 | 108.4 | Y11 V18 V19 I27 I37 V38 K39 M41 L61 L87 F92 | Y11-F29 HydrophobicContact CD1-CD1 4.36Å; Y11-F29 AromaticContact CD1-CE1 3.78Å; Y11-F29 HydrophobicContact CD1-CE1 3.78Å; Y11-F29 HydrophobicContact CD2-CE1 4.28Å; Y11-F29 AromaticContact CE1-CE1 3.95Å; Y11-F29 HydrophobicContact CE1-CE1 3.95Å; Y11-F29 HydrophobicContact CE2-CE1 4.44Å; Y11-F29 AromaticContact CG-CE1 3.97Å; Y11-F29 HydrophobicContact CG-CE1 3.97Å; V18-F29 WeakPolarHBondContact O-CA 3.14Å; V19-F29 HydrophobicContact CG1-CD1 3.56Å; V19-F29 HydrophobicContact CG1-CD2 4.07Å; V19-F29 HydrophobicContact CG1-CE1 3.38Å; V19-F29 HydrophobicContact CG1-CE2 3.88Å; V19-F29 HydrophobicContact CG1-CG 3.92Å; V19-F29 HydrophobicContact CG1-CZ 3.55Å; I27-F29 HydrophobicContact CG2-CD2 4.17Å; I27-F29 HydrophobicContact CG2-CE2 3.75Å; F29-I37 WeakPolarHBondContact O-CA 3.36Å; F29-V38 HydrophobicContact CB-CG2 4.07Å; F29-V38 WeakPolarHBondContact O-CG2 3.28Å; F29-V38 PolarHBondContact O-N 2.96Å; F29-K39 HydrophobicContact CB-CB 4.1Å; F29-K39 PolarHBondContact N-O 2.97Å; F29-K39 PolarHBondContact O-N 3.43Å; F29-M41 HydrophobicContact CD2-CE 4.3Å; F29-M41 HydrophobicContact CE2-CE 3.48Å; F29-M41 VanDerWaalsContact CE2-CE 3.48Å; F29-M41 HydrophobicContact CZ-CE 4.21Å; F29-L61 HydrophobicContact CE2-CD2 4.24Å; F29-L61 HydrophobicContact CZ-CD2 3.9Å; F29-L87 HydrophobicContact CD1-CD1 4.18Å; F29-F92 HydrophobicContact CE1-CE2 4.49Å; F29-F92 HydrophobicContact CE1-CZ 4.07Å; F29-F92 HydrophobicContact CZ-CE2 4.19Å; F29-F92 AromaticContact CZ-CZ 3.9Å; F29-F92 HydrophobicContact CZ-CZ 3.9Å |
| 30 | W | 94.4 | Very high | 92.5 | Very high | 82 Ų | 82 | 55.9 Ų | 55.9 | 31% | 0.311 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 132.3 | -179.8 | -50.1 | 81.5 | 0 | 0 | 0 | 108.7 | F17 V18 S20 K32 Q36 I37 | F17-W30 CarbonylContact C-O 3.47Å; F17-W30 WeakPolarHBondContact CA-O 3.16Å; V18-W30 HydrophobicContact CB-CB 4.2Å; V18-W30 PolarHBondContact N-O 3Å; V18-W30 VanDerWaalsContact O-CD1 3.31Å; V18-W30 PolarHBondContact O-N 3.24Å; S20-W30 PolarHBondContact OG-NE1 3.04Å; W30-K32 PolarHBondContact O-N 2.81Å; W30-Q36 WeakPolarHBondContact CA-O 3.04Å; W30-I37 HydrophobicContact CD2-CG1 3.95Å; W30-I37 HydrophobicContact CE3-CD1 4.46Å; W30-I37 HydrophobicContact CE3-CG1 3.5Å; W30-I37 HydrophobicContact CH2-CD1 3.63Å; W30-I37 HydrophobicContact CH2-CG1 3.59Å; W30-I37 HydrophobicContact CZ2-CD1 4.13Å; W30-I37 HydrophobicContact CZ2-CG1 4.01Å; W30-I37 HydrophobicContact CZ3-CD1 3.83Å; W30-I37 HydrophobicContact CZ3-CG1 3.31Å |
| 31 | E | 94.8 | Very high | 92.3 | Very high | 38 Ų | 38 | 56.8 Ų | 56.8 | 18% | 0.178 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 120.4 | 168.2 | 177.4 | 178 | -133.1 | 0 | 0 | 109.2 | F17 Q33 T34 Q35 Q36 V38 | F17-E31 HydrophobicContact CD1-CB 4.45Å; F17-E31 HydrophobicContact CE1-CB 4.39Å; E31-Q33 VanDerWaalsContact C-N 3.28Å; E31-Q33 PolarHBondContact O-N 2.88Å; E31-T34 HydrophobicContact CG-CG2 4.48Å; E31-T34 PolarHBondContact O-N 2.85Å; E31-T34 WeakPolarHBondContact OE2-CB 3.45Å; E31-T34 WeakPolarHBondContact OE2-CG2 3.19Å; E31-T34 PolarHBondContact OE2-OG1 2.58Å; E31-Q35 VanDerWaalsContact O-CA 3.3Å; E31-Q35 WeakPolarHBondContact O-CA 3.26Å; E31-Q35 PolarHBondContact O-N 2.81Å; E31-Q36 PolarHBondContact N-O 2.85Å; E31-V38 HydrophobicContact CB-CG1 3.65Å |
| 32 | K | 93.5 | Very high | 92 | Very high | 111 Ų | 111 | 61 Ų | 61 | 48% | 0.483 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -36 | -172.4 | 178.8 | 178.4 | 171.2 | -177.8 | 0 | 113.2 | F10 S15 E16 W30 | F10-K32 HydrophobicContact CE1-CD 4.36Å; S15-K32 WeakPolarHBondContact O-CD 3.44Å; E16-K32 VanDerWaalsContact O-CB 3.26Å; E16-K32 WeakPolarHBondContact O-CB 3.4Å; E16-K32 PolarHBondContact O-N 3Å; W30-K32 PolarHBondContact O-N 2.81Å |
| 33 | Q | 94.3 | Very high | 91.6 | Very high | 137 Ų | 137 | 61 Ų | 61 | 64% | 0.64 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.4 | -44.1 | -176.1 | -68.2 | -177.9 | 6 | 0 | 0 | 112.6 | E31 R84 | E31-Q33 VanDerWaalsContact C-N 3.28Å; E31-Q33 PolarHBondContact O-N 2.88Å; Q33-R84 VanDerWaalsContact NE2-NH1 3.12Å |
| 34 | T | 95 | Very high | 91.1 | Very high | 63 Ų | 63 | 58.9 Ų | 58.9 | 39% | 0.387 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.4 | -12.9 | -174.8 | 64.9 | 0 | 0 | 0 | 0 | 113 | E31 Q36 | E31-T34 HydrophobicContact CG-CG2 4.48Å; E31-T34 PolarHBondContact O-N 2.85Å; E31-T34 WeakPolarHBondContact OE2-CB 3.45Å; E31-T34 WeakPolarHBondContact OE2-CG2 3.19Å; E31-T34 PolarHBondContact OE2-OG1 2.58Å; T34-Q36 WeakPolarHBondContact O-CG 3.39Å; T34-Q36 PolarHBondContact O-N 3.47Å; T34-Q36 VanDerWaalsContact O-N 3.15Å; T34-Q36 PolarHBondContact O-NE2 2.93Å; T34-Q36 VanDerWaalsContact O-NE2 3.14Å; T34-Q36 PolarHBondContact OG1-N 3.43Å |
| 35 | Q | 94.4 | Very high | 90.5 | Very high | 151 Ų | 151 | 68.8 Ų | 68.8 | 71% | 0.706 | 32% | 0.321 | S | S | * | . | trans | 59.8 | 19.3 | -176.3 | -52 | 171 | 29 | 0 | 0 | 112.8 | E31 | E31-Q35 VanDerWaalsContact O-CA 3.3Å; E31-Q35 WeakPolarHBondContact O-CA 3.26Å; E31-Q35 PolarHBondContact O-N 2.81Å | ||
| 36 | Q | 94.9 | Very high | 89.7 | Confident | 122 Ų | 122 | 71.1 Ų | 71.1 | 57% | 0.57 | 35% | 0.345 | S | S | * | . | trans | -92.9 | 145.1 | 179.9 | -60.1 | -52.5 | -56.6 | 0 | 0 | 110.7 | W30 E31 T34 V38 | W30-Q36 WeakPolarHBondContact CA-O 3.04Å; E31-Q36 PolarHBondContact N-O 2.85Å; T34-Q36 WeakPolarHBondContact O-CG 3.39Å; T34-Q36 PolarHBondContact O-N 3.47Å; T34-Q36 VanDerWaalsContact O-N 3.15Å; T34-Q36 PolarHBondContact O-NE2 2.93Å; T34-Q36 VanDerWaalsContact O-NE2 3.14Å; T34-Q36 PolarHBondContact OG1-N 3.43Å; Q36-V38 PolarHBondContact O-N 2.83Å | ||
| 37 | I | 93.3 | Very high | 89.2 | Confident | 79 Ų | 79 | 69.8 Ų | 69.8 | 41% | 0.405 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 114.4 | 166.8 | -60 | 171.4 | 0 | 0 | 0 | 107.1 | Y28 F29 W30 K39 | Y28-I37 HydrophobicContact CD1-CD1 3.97Å; Y28-I37 HydrophobicContact CD1-CG2 4.13Å; Y28-I37 HydrophobicContact CE1-CD1 4.35Å; F29-I37 WeakPolarHBondContact O-CA 3.36Å; W30-I37 HydrophobicContact CD2-CG1 3.95Å; W30-I37 HydrophobicContact CE3-CD1 4.46Å; W30-I37 HydrophobicContact CE3-CG1 3.5Å; W30-I37 HydrophobicContact CH2-CD1 3.63Å; W30-I37 HydrophobicContact CH2-CG1 3.59Å; W30-I37 HydrophobicContact CZ2-CD1 4.13Å; W30-I37 HydrophobicContact CZ2-CG1 4.01Å; W30-I37 HydrophobicContact CZ3-CD1 3.83Å; W30-I37 HydrophobicContact CZ3-CG1 3.31Å; I37-K39 WeakPolarHBondContact CG2-O 3.3Å |
| 38 | V | 92.5 | Very high | 88.8 | Confident | 25 Ų | 25 | 70.8 Ų | 70.8 | 15% | 0.152 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | -21.5 | 175.6 | -67.7 | 0 | 0 | 0 | 0 | 111.9 | F17 F29 E31 Q36 | F17-V38 HydrophobicContact CD1-CG2 4.13Å; F17-V38 HydrophobicContact CE1-CG2 4.13Å; F29-V38 HydrophobicContact CB-CG2 4.07Å; F29-V38 WeakPolarHBondContact O-CG2 3.28Å; F29-V38 PolarHBondContact O-N 2.96Å; E31-V38 HydrophobicContact CB-CG1 3.65Å; Q36-V38 PolarHBondContact O-N 2.83Å |
| 39 | K | 89.4 | Confident | 88.6 | Confident | 34 Ų | 34 | 68.3 Ų | 68.3 | 15% | 0.148 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160 | 151.6 | 178.7 | -172.2 | 165.9 | -176.7 | 177.9 | 0 | 111.9 | F29 I37 M41 L87 V90 F92 | F29-K39 HydrophobicContact CB-CB 4.1Å; F29-K39 PolarHBondContact N-O 2.97Å; F29-K39 PolarHBondContact O-N 3.43Å; I37-K39 WeakPolarHBondContact CG2-O 3.3Å; K39-M41 HydrophobicContact CD-CG 4.47Å; K39-M41 HydrophobicContact CD-SD 4.41Å; K39-M41 HydrophobicContact CG-CG 4.22Å; K39-L87 WeakPolarHBondContact CD-O 3.49Å; K39-V90 PolarHBondContact NZ-O 3.19Å; K39-F92 HydrophobicContact CD-CD2 4.49Å; K39-F92 HydrophobicContact CD-CE2 4.29Å |
| 40 | F | 89.4 | Confident | 88.4 | Confident | 129 Ų | 129 | 71.1 Ų | 71.1 | 57% | 0.566 | 36% | 0.355 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 154.6 | 164.7 | 71 | -84.3 | 0 | 0 | 0 | 109.6 | H26 I27 Y28 | H26-F40 AromaticContact CD2-CD2 3.82Å; I27-F40 CarbonylContact O-C 2.85Å; I27-F40 WeakPolarHBondContact O-CA 3.46Å; Y28-F40 HydrophobicContact CD1-CB 3.61Å; Y28-F40 HydrophobicContact CE1-CB 3.75Å; Y28-F40 HydrophobicContact CE1-CG 4.42Å; Y28-F40 HydrophobicContact CG-CB 4.36Å |
| 41 | M | 90.1 | Very high | 88.3 | Confident | 21 Ų | 21 | 70 Ų | 70 | 10% | 0.103 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 148.6 | -176.8 | -53.8 | -177.9 | -54.2 | 0 | 0 | 109.7 | H26 I27 F29 K39 G43 W73 F92 | H26-M41 CarbonylContact C-O 3.59Å; H26-M41 VanDerWaalsContact CA-O 3.25Å; H26-M41 WeakPolarHBondContact CA-O 3.5Å; I27-M41 HydrophobicContact CB-CE 4.43Å; I27-M41 HydrophobicContact CD1-CE 4.4Å; I27-M41 HydrophobicContact CG2-CE 4.32Å; I27-M41 PolarHBondContact N-O 3.15Å; I27-M41 PolarHBondContact O-N 3.14Å; F29-M41 HydrophobicContact CD2-CE 4.3Å; F29-M41 HydrophobicContact CE2-CE 3.48Å; F29-M41 VanDerWaalsContact CE2-CE 3.48Å; F29-M41 HydrophobicContact CZ-CE 4.21Å; K39-M41 HydrophobicContact CD-CG 4.47Å; K39-M41 HydrophobicContact CD-SD 4.41Å; K39-M41 HydrophobicContact CG-CG 4.22Å; M41-G43 PolarHBondContact O-N 3.29Å; M41-W73 HydrophobicContact CE-CD2 4.16Å; M41-W73 HydrophobicContact CE-CE3 3.99Å; M41-W73 HydrophobicContact SD-CE3 4.37Å; M41-F92 HydrophobicContact CE-CB 4.42Å; M41-F92 HydrophobicContact CE-CD2 3.98Å; M41-F92 HydrophobicContact CE-CE2 4.46Å; M41-F92 HydrophobicContact CE-CG 4.19Å; M41-F92 HydrophobicContact SD-CB 3.76Å; M41-F92 HydrophobicContact SD-CD2 3.26Å; M41-F92 WeakPolarHBondContact SD-CD2 2.71Å; M41-F92 HydrophobicContact SD-CE2 4.05Å; M41-F92 HydrophobicContact SD-CG 3.75Å |
| 42 | S | 88.1 | Confident | 88.2 | Confident | 88 Ų | 88 | 68.5 Ų | 68.5 | 62% | 0.615 | 35% | 0.351 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76 | 110.9 | 171.6 | -54.8 | 0 | 0 | 0 | 0 | 109.2 | H26 W73 | H26-S42 PolarHBondContact NE2-OG 2.99Å; S42-W73 WeakPolarHBondContact O-CH2 3.36Å |
| 43 | G | 83.1 | Confident | 88.2 | Confident | 4 Ų | 4 | 68.5 Ų | 68.5 | 4% | 0.041 | 35% | 0.352 | C | S | . | . | trans | -90.3 | -47.5 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | G25 M41 K71 | G25-G43 WeakPolarHBondContact O-CA 3.39Å; G25-G43 PolarHBondContact O-N 3.28Å; M41-G43 PolarHBondContact O-N 3.29Å; G43-K71 WeakPolarHBondContact O-CD 3.01Å; G43-K71 WeakPolarHBondContact O-CE 2.88Å | ||
| 44 | D | 79.1 | Confident | 88.2 | Confident | 12 Ų | 12 | 63.1 Ų | 63.1 | 6% | 0.064 | 33% | 0.33 | C | S | . | . | trans | -137.1 | 133.4 | -172.1 | -174.4 | -70.4 | 0 | 0 | 0 | 110.5 | G25 G46 G47 V48 V49 G65 L66 D67 K71 | G25-D44 PolarHBondContact O-N 3.26Å; D44-G46 WeakPolarHBondContact OD1-CA 3.44Å; D44-G46 PolarHBondContact OD1-N 2.95Å; D44-G47 PolarHBondContact O-N 3.26Å; D44-G47 PolarHBondContact OD1-N 3.43Å; D44-V48 WeakPolarHBondContact CB-O 3.24Å; D44-V49 HydrophobicContact CB-CG2 3.86Å; D44-G65 WeakPolarHBondContact OD2-CA 3.47Å; D44-L66 PolarHBondContact OD2-N 3.41Å; D44-D67 PolarHBondContact OD2-N 2.74Å; D44-D67 VanDerWaalsContact OD2-OD2 3.14Å; D44-K71 IonicContact OD2-NZ 3.74Å | ||
| 45 | R | 75 | Confident | 87.9 | Confident | 248 Ų | 248 | 63.5 Ų | 63.5 | 94% | 0.936 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.2 | -29.1 | -178.6 | -64.6 | -173.1 | -159 | -128.4 | 4.6 | 112.7 | G47 | R45-G47 PolarHBondContact O-N 3.49Š|
| 46 | G | 73.1 | Confident | 87.5 | Confident | 50 Ų | 50 | 62.4 Ų | 62.4 | 52% | 0.515 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | -4 | 171.4 | 0 | 0 | 0 | 0 | 0 | 113 | D44 | D44-G46 WeakPolarHBondContact OD1-CA 3.44Å; D44-G46 PolarHBondContact OD1-N 2.95Å |
| 47 | G | 80.2 | Confident | 86.8 | Confident | 20 Ų | 20 | 63.1 Ų | 63.1 | 21% | 0.206 | 35% | 0.348 | C | S | . | . | S | Bend | trans | 90.3 | 10.6 | 165.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | D23 C24 G25 D44 R45 | D23-G47 CarbonylContact C-O 3.57Å; D23-G47 WeakPolarHBondContact CA-O 3.34Å; C24-G47 CarbonylContact C-O 3.46Å; C24-G47 VanDerWaalsContact C-O 3.26Å; C24-G47 WeakPolarHBondContact CA-O 3.47Å; C24-G47 PolarHBondContact N-O 3.13Å; G25-G47 WeakPolarHBondContact CA-O 3.39Å; G25-G47 PolarHBondContact N-O 2.96Å; D44-G47 PolarHBondContact O-N 3.26Å; D44-G47 PolarHBondContact OD1-N 3.43Å; R45-G47 PolarHBondContact O-N 3.49Å |
| 48 | V | 84.4 | Confident | 86.3 | Confident | 20 Ų | 20 | 62.4 Ų | 62.4 | 12% | 0.121 | 35% | 0.349 | C | S | . | . | trans | -140.5 | 132.8 | 178 | -176.4 | 0 | 0 | 0 | 0 | 110.4 | D23 D44 N50 G65 L66 | D23-V48 WeakPolarHBondContact OD1-CG1 3.26Å; D44-V48 WeakPolarHBondContact CB-O 3.24Å; V48-N50 WeakPolarHBondContact CG1-OD1 3.48Å; V48-G65 WeakPolarHBondContact O-CA 3.5Å; V48-L66 HydrophobicContact CB-CD1 3.89Å; V48-L66 HydrophobicContact CB-CG 3.93Å; V48-L66 HydrophobicContact CG2-CD1 3.5Å; V48-L66 VanDerWaalsContact CG2-CD1 3.5Å; V48-L66 HydrophobicContact CG2-CG 4.11Å | ||
| 49 | V | 88.4 | Confident | 85.9 | Confident | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 108.7 | 167.8 | -178.9 | 0 | 0 | 0 | 0 | 108.2 | K6 S22 I27 D44 L52 T63 | K6-V49 WeakPolarHBondContact CB-O 3.15Å; S22-V49 PolarHBondContact O-N 3.23Å; I27-V49 HydrophobicContact CG1-CG1 4.17Å; I27-V49 HydrophobicContact CG1-CG2 4.14Å; D44-V49 HydrophobicContact CB-CG2 3.86Å; V49-L52 HydrophobicContact CG1-CD1 4.05Å; V49-L52 HydrophobicContact CG1-CG 4.11Å; V49-T63 HydrophobicContact CG1-CG2 4.4Å |
| 50 | N | 89.2 | Confident | 85.8 | Confident | 59 Ų | 59 | 63.1 Ų | 63.1 | 32% | 0.316 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | -36.9 | -174.9 | -73 | -48.2 | 0 | 0 | 0 | 112.4 | G7 V48 S64 | G7-N50 WeakPolarHBondContact CA-O 3.35Å; G7-N50 PolarHBondContact N-O 2.82Å; V48-N50 WeakPolarHBondContact CG1-OD1 3.48Å; N50-S64 PolarHBondContact N-O 2.82Å |
| 51 | V | 91.3 | Very high | 85.9 | Confident | 60 Ų | 60 | 57 Ų | 57 | 36% | 0.364 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 135.4 | -173.6 | -178.2 | 0 | 0 | 0 | 0 | 109.7 | E53 T63 S64 | V51-E53 HydrophobicContact CG1-CG 3.88Å; V51-T63 VanDerWaalsContact O-CA 3.26Å; V51-T63 WeakPolarHBondContact O-CA 3.38Å; V51-S64 WeakPolarHBondContact CB-OG 3.47Å; V51-S64 WeakPolarHBondContact CG2-OG 3.28Å; V51-S64 PolarHBondContact N-O 2.93Å; V51-S64 VanDerWaalsContact N-O 3.08Å; V51-S64 PolarHBondContact O-N 3.26Å |
| 52 | L | 93.4 | Very high | 86 | Confident | 5 Ų | 5 | 57.3 Ų | 57.3 | 3% | 0.026 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 107.9 | 171.7 | -62.3 | 97.5 | 0 | 0 | 0 | 108.4 | G7 N9 V19 I27 V49 L61 A62 T63 | G7-L52 WeakPolarHBondContact O-CD1 3.49Å; N9-L52 PolarHBondContact ND2-O 3.2Å; V19-L52 HydrophobicContact CB-CD2 4.06Å; V19-L52 HydrophobicContact CG2-CB 4.25Å; V19-L52 HydrophobicContact CG2-CD2 4.16Å; I27-L52 HydrophobicContact CG1-CD2 4.41Å; I27-L52 HydrophobicContact CG2-CD2 3.76Å; V49-L52 HydrophobicContact CG1-CD1 4.05Å; V49-L52 HydrophobicContact CG1-CG 4.11Å; L52-L61 HydrophobicContact CB-CD1 4.26Å; L52-L61 HydrophobicContact CD2-CD2 4.43Å; L52-A62 WeakPolarHBondContact CA-O 3.44Å; L52-T63 HydrophobicContact CD2-CG2 4.24Å; L52-T63 HydrophobicContact CG-CG2 4.09Å |
| 53 | E | 94.3 | Very high | 86.2 | Confident | 111 Ų | 111 | 53.3 Ų | 53.3 | 52% | 0.519 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 102.6 | -179.1 | -72.9 | -57.9 | 151.9 | 0 | 0 | 109.9 | V51 A62 | V51-E53 HydrophobicContact CG1-CG 3.88Å; E53-A62 HydrophobicContact CB-CB 4.44Å; E53-A62 PolarHBondContact N-O 3.08Å; E53-A62 PolarHBondContact O-N 2.94Å |
| 54 | P | 92.9 | Very high | 86.4 | Confident | 25 Ų | 25 | 54.8 Ų | 54.8 | 16% | 0.162 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 141.8 | 173 | 21.9 | -17 | 0 | 0 | 0 | 110.1 | N9 F10 Y11 L61 | N9-P54 HydrophobicContact CB-CG 3.97Å; N9-P54 WeakPolarHBondContact ND2-CD 3.48Å; F10-P54 WeakPolarHBondContact O-CG 3.37Å; Y11-P54 HydrophobicContact CD2-CB 4.04Å; P54-L61 HydrophobicContact CB-CD1 4.26Å |
| 55 | N | 89.1 | Confident | 86.8 | Confident | 71 Ų | 71 | 55 Ų | 55 | 38% | 0.38 | 32% | 0.324 | S | S | . | . | trans | -70.3 | 133.7 | 168.8 | -173.9 | -68.3 | 0 | 0 | 0 | 109.3 | V57 C58 V60 | N55-V57 VanDerWaalsContact C-N 3.27Å; N55-V57 PolarHBondContact O-N 2.73Å; N55-V57 PolarHBondContact OD1-N 2.72Å; N55-C58 WeakPolarHBondContact CB-O 3.26Å; N55-C58 PolarHBondContact OD1-N 3.34Å; N55-C58 PolarHBondContact OD1-SG 2.86Å; N55-C58 VanDerWaalsContact OD1-SG 3.37Å; N55-V60 HydrophobicContact CB-CB 4.1Å; N55-V60 PolarHBondContact N-O 2.52Å | ||
| 56 | P | 86.1 | Confident | 87.3 | Confident | 128 Ų | 128 | 48.9 Ų | 48.9 | 83% | 0.831 | 31% | 0.309 | S | S | * | . | S | Bend | trans | -74 | -13.8 | -175.6 | 27.9 | -34.9 | 0 | 0 | 0 | 114.4 | ||
| 57 | V | 80.3 | Confident | 87.6 | Confident | 137 Ų | 137 | 48.8 Ų | 48.8 | 83% | 0.83 | 30% | 0.297 | S | S | * | . | S | Bend | trans | -116.1 | -42 | -173.5 | -179.4 | 0 | 0 | 0 | 0 | 112.1 | N55 | N55-V57 VanDerWaalsContact C-N 3.27Å; N55-V57 PolarHBondContact O-N 2.73Å; N55-V57 PolarHBondContact OD1-N 2.72Å |
| 58 | C | 82.7 | Confident | 87.6 | Confident | 63 Ų | 63 | 51.9 Ų | 51.9 | 43% | 0.426 | 32% | 0.315 | S | S | . | . | S | Bend | trans | -114.1 | 158.6 | -179.2 | 64.1 | 0 | 0 | 0 | 0 | 112 | N55 V60 | N55-C58 WeakPolarHBondContact CB-O 3.26Å; N55-C58 PolarHBondContact OD1-N 3.34Å; N55-C58 PolarHBondContact OD1-SG 2.86Å; N55-C58 VanDerWaalsContact OD1-SG 3.37Å; C58-V60 PolarHBondContact O-N 3.04Å; C58-V60 VanDerWaalsContact SG-CG2 3.57Å |
| 59 | S | 83.6 | Confident | 87.5 | Confident | 43 Ų | 43 | 52.7 Ų | 52.7 | 30% | 0.301 | 32% | 0.319 | S | S | . | . | S | Bend | trans | -74.7 | 60.3 | -179.4 | -54.8 | 0 | 0 | 0 | 0 | 111.9 | Y11 P75 M82 | Y11-S59 PolarHBondContact OH-O 2.93Å; S59-P75 WeakPolarHBondContact O-CD 3.03Å; S59-M82 PolarHBondContact OG-SD 2.87Å |
| 60 | V | 88 | Confident | 87.3 | Confident | 32 Ų | 32 | 56.9 Ų | 56.9 | 19% | 0.194 | 34% | 0.341 | C | S | . | . | trans | -121.1 | 138 | 177.9 | 179.7 | 0 | 0 | 0 | 0 | 108.7 | N55 C58 W73 V74 | N55-V60 HydrophobicContact CB-CB 4.1Å; N55-V60 PolarHBondContact N-O 2.52Å; C58-V60 PolarHBondContact O-N 3.04Å; C58-V60 VanDerWaalsContact SG-CG2 3.57Å; V60-W73 WeakPolarHBondContact CA-O 3.19Å; V60-V74 HydrophobicContact CG1-CG2 4.41Å; V60-V74 HydrophobicContact CG2-CG2 4.11Å | ||
| 61 | L | 91.6 | Very high | 87.3 | Confident | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 126.5 | 173 | 177.6 | 68 | 0 | 0 | 0 | 109.2 | Y11 V19 I27 F29 L52 P54 T63 W73 | Y11-L61 HydrophobicContact CE2-CB 4.13Å; V19-L61 HydrophobicContact CG1-CD2 4.34Å; V19-L61 HydrophobicContact CG2-CD1 4.16Å; I27-L61 HydrophobicContact CG2-CD2 4.21Å; F29-L61 HydrophobicContact CE2-CD2 4.24Å; F29-L61 HydrophobicContact CZ-CD2 3.9Å; L52-L61 HydrophobicContact CB-CD1 4.26Å; L52-L61 HydrophobicContact CD2-CD2 4.43Å; P54-L61 HydrophobicContact CB-CD1 4.26Å; L61-T63 HydrophobicContact CD2-CG2 4Å; L61-T63 HydrophobicContact CG-CG2 3.91Å; L61-W73 HydrophobicContact CB-CB 4.2Å; L61-W73 PolarHBondContact N-O 2.73Å; L61-W73 VanDerWaalsContact O-CD1 3.29Å; L61-W73 PolarHBondContact O-N 3.21Å |
| 62 | A | 91.7 | Very high | 87.2 | Confident | 27 Ų | 27 | 54.3 Ų | 54.3 | 22% | 0.223 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 135.3 | 169 | 0 | 0 | 0 | 0 | 0 | 109.7 | L52 E53 K71 L72 | L52-A62 WeakPolarHBondContact CA-O 3.44Å; E53-A62 HydrophobicContact CB-CB 4.44Å; E53-A62 PolarHBondContact N-O 3.08Å; E53-A62 PolarHBondContact O-N 2.94Å; A62-K71 CarbonylContact C-O 3.52Å; A62-K71 WeakPolarHBondContact CA-O 3.47Å; A62-L72 HydrophobicContact CB-CD2 3.72Å |
| 63 | T | 91.8 | Very high | 87 | Confident | 4 Ų | 4 | 54.8 Ų | 54.8 | 3% | 0.025 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 147.5 | 175.3 | 64.8 | 0 | 0 | 0 | 0 | 111.8 | I27 V49 V51 L52 L61 K71 W73 | I27-T63 HydrophobicContact CD1-CG2 3.69Å; I27-T63 HydrophobicContact CG1-CG2 4.29Å; V49-T63 HydrophobicContact CG1-CG2 4.4Å; V51-T63 VanDerWaalsContact O-CA 3.26Å; V51-T63 WeakPolarHBondContact O-CA 3.38Å; L52-T63 HydrophobicContact CD2-CG2 4.24Å; L52-T63 HydrophobicContact CG-CG2 4.09Å; L61-T63 HydrophobicContact CD2-CG2 4Å; L61-T63 HydrophobicContact CG-CG2 3.91Å; T63-K71 PolarHBondContact N-O 3.01Å; T63-K71 PolarHBondContact O-N 3.26Å; T63-K71 WeakPolarHBondContact OG1-CB 3.36Å; T63-W73 PolarHBondContact OG1-NE1 2.67Å |
| 64 | S | 88.8 | Confident | 86.5 | Confident | 35 Ų | 35 | 51.9 Ų | 51.9 | 25% | 0.245 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 158.4 | 169.6 | 66.1 | 0 | 0 | 0 | 0 | 111.2 | N50 V51 | N50-S64 PolarHBondContact N-O 2.82Å; V51-S64 WeakPolarHBondContact CB-OG 3.47Å; V51-S64 WeakPolarHBondContact CG2-OG 3.28Å; V51-S64 PolarHBondContact N-O 2.93Å; V51-S64 VanDerWaalsContact N-O 3.08Å; V51-S64 PolarHBondContact O-N 3.26Å |
| 65 | G | 86.9 | Confident | 85.8 | Confident | 18 Ų | 18 | 52.3 Ų | 52.3 | 19% | 0.186 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | -131.7 | -168.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | D44 V48 | D44-G65 WeakPolarHBondContact OD2-CA 3.47Å; V48-G65 WeakPolarHBondContact O-CA 3.5Å |
| 66 | L | 84.6 | Confident | 84.8 | Confident | 118 Ų | 118 | 51.9 Ų | 51.9 | 62% | 0.618 | 32% | 0.32 | S | S | * | . | S | Bend | trans | -95.5 | -19.3 | 173.7 | -75.1 | 175.3 | 0 | 0 | 0 | 112.4 | D44 V48 | D44-L66 PolarHBondContact OD2-N 3.41Å; V48-L66 HydrophobicContact CB-CD1 3.89Å; V48-L66 HydrophobicContact CB-CG 3.93Å; V48-L66 HydrophobicContact CG2-CD1 3.5Å; V48-L66 VanDerWaalsContact CG2-CD1 3.5Å; V48-L66 HydrophobicContact CG2-CG 4.11Å |
| 67 | D | 80.8 | Confident | 83.7 | Confident | 48 Ų | 48 | 47.5 Ų | 47.5 | 26% | 0.257 | 29% | 0.293 | S | S | . | . | S | Bend | trans | -76 | 167 | 172.5 | 67.9 | 32.8 | 0 | 0 | 0 | 112.1 | D44 D69 K71 | D44-D67 PolarHBondContact OD2-N 2.74Å; D44-D67 VanDerWaalsContact OD2-OD2 3.14Å; D67-D69 PolarHBondContact O-N 3.2Å; D67-D69 PolarHBondContact OD1-N 2.92Å; D67-K71 IonicContact OD1-NZ 2.73Å; D67-K71 PolarHBondContact OD1-NZ 2.88Å; D67-K71 IonicContact OD2-NZ 2.67Å; D67-K71 PolarHBondContact OD2-NZ 3.34Å |
| 68 | S | 80.4 | Confident | 82.6 | Confident | 86 Ų | 86 | 49 Ų | 49 | 60% | 0.601 | 30% | 0.296 | S | S | * | . | S | Bend | trans | -78.4 | 0.2 | -177.3 | 51.6 | 0 | 0 | 0 | 0 | 113.6 | ||
| 69 | D | 80.9 | Confident | 81.2 | Confident | 36 Ų | 36 | 51 Ų | 51 | 19% | 0.193 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 131 | -170.1 | -65.8 | -29.9 | 0 | 0 | 0 | 111.7 | D67 L96 S98 | D67-D69 PolarHBondContact O-N 3.2Å; D67-D69 PolarHBondContact OD1-N 2.92Å; D69-L96 HydrophobicContact CB-CD2 4.03Å; D69-S98 WeakPolarHBondContact OD1-CA 3.5Å; D69-S98 WeakPolarHBondContact OD1-CB 3.47Å |
| 70 | I | 85.9 | Confident | 79.7 | Confident | 89 Ų | 89 | 55.4 Ų | 55.4 | 46% | 0.456 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 134.1 | 162.7 | -60.1 | 173.4 | 0 | 0 | 0 | 108.2 | Q97 | I70-Q97 PolarHBondContact O-N 2.74Å |
| 71 | K | 87.9 | Confident | 78 | Confident | 10 Ų | 10 | 60.5 Ų | 60.5 | 4% | 0.043 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 125.3 | -174.5 | -65.8 | -171.6 | -171.6 | 66.6 | 0 | 110 | G43 D44 A62 T63 D67 W73 L94 L96 | G43-K71 WeakPolarHBondContact O-CD 3.01Å; G43-K71 WeakPolarHBondContact O-CE 2.88Å; D44-K71 IonicContact OD2-NZ 3.74Å; A62-K71 CarbonylContact C-O 3.52Å; A62-K71 WeakPolarHBondContact CA-O 3.47Å; T63-K71 PolarHBondContact N-O 3.01Å; T63-K71 PolarHBondContact O-N 3.26Å; T63-K71 WeakPolarHBondContact OG1-CB 3.36Å; D67-K71 IonicContact OD1-NZ 2.73Å; D67-K71 PolarHBondContact OD1-NZ 2.88Å; D67-K71 IonicContact OD2-NZ 2.67Å; D67-K71 PolarHBondContact OD2-NZ 3.34Å; K71-W73 HydrophobicContact CB-CZ2 4.36Å; K71-W73 HydrophobicContact CD-CZ2 4.18Å; K71-L94 HydrophobicContact CB-CD1 3.37Å; K71-L94 HydrophobicContact CD-CD1 3.83Å; K71-L94 HydrophobicContact CD-CD2 4.14Å; K71-L94 HydrophobicContact CG-CD1 3.62Å; K71-L96 HydrophobicContact CD-CD2 4.34Å; K71-L96 HydrophobicContact CG-CD2 3.89Å |
| 72 | L | 89.8 | Confident | 76.3 | Confident | 55 Ų | 55 | 62.4 Ų | 62.4 | 29% | 0.288 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 126.7 | 174.3 | -59.9 | 180 | 0 | 0 | 0 | 109.5 | A62 F95 | A62-L72 HydrophobicContact CB-CD2 3.72Å; L72-F95 HydrophobicContact CB-CB 4.39Å; L72-F95 PolarHBondContact N-O 3.32Å; L72-F95 VanDerWaalsContact N-O 3.13Å; L72-F95 PolarHBondContact O-N 3.34Å |
| 73 | W | 89.4 | Confident | 74.3 | Confident | 14 Ų | 14 | 65.6 Ų | 65.6 | 5% | 0.053 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 119.1 | 178.7 | -53.9 | 88 | 0 | 0 | 0 | 109.1 | I27 M41 S42 V60 L61 T63 K71 F92 L94 | I27-W73 HydrophobicContact CD1-CD2 4.33Å; I27-W73 HydrophobicContact CD1-CZ2 3.75Å; M41-W73 HydrophobicContact CE-CD2 4.16Å; M41-W73 HydrophobicContact CE-CE3 3.99Å; M41-W73 HydrophobicContact SD-CE3 4.37Å; S42-W73 WeakPolarHBondContact O-CH2 3.36Å; V60-W73 WeakPolarHBondContact CA-O 3.19Å; L61-W73 HydrophobicContact CB-CB 4.2Å; L61-W73 PolarHBondContact N-O 2.73Å; L61-W73 VanDerWaalsContact O-CD1 3.29Å; L61-W73 PolarHBondContact O-N 3.21Å; T63-W73 PolarHBondContact OG1-NE1 2.67Å; K71-W73 HydrophobicContact CB-CZ2 4.36Å; K71-W73 HydrophobicContact CD-CZ2 4.18Å; W73-F92 HydrophobicContact CB-CB 4.32Å; W73-F92 HydrophobicContact CB-CD1 3.78Å; W73-F92 HydrophobicContact CB-CG 4.34Å; W73-F92 HydrophobicContact CE3-CB 3.86Å; W73-L94 HydrophobicContact CE3-CB 4.47Å; W73-L94 HydrophobicContact CH2-CB 4.25Å; W73-L94 HydrophobicContact CH2-CD1 4.23Å; W73-L94 HydrophobicContact CH2-CD2 4.34Å; W73-L94 HydrophobicContact CZ2-CD1 4.01Å; W73-L94 HydrophobicContact CZ3-CB 4.08Å |
| 74 | V | 84 | Confident | 72.4 | Confident | 50 Ų | 50 | 70.9 Ų | 70.9 | 30% | 0.303 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 133.6 | 176.8 | -170.2 | 0 | 0 | 0 | 0 | 109.1 | V60 S76 F92 S93 F95 | V60-V74 HydrophobicContact CG1-CG2 4.41Å; V60-V74 HydrophobicContact CG2-CG2 4.11Å; V74-S76 PolarHBondContact O-N 2.86Å; V74-F92 WeakPolarHBondContact O-CA 3.33Å; V74-S93 PolarHBondContact N-O 2.73Å; V74-S93 PolarHBondContact O-N 2.74Å; V74-S93 PolarHBondContact O-OG 2.99Å; V74-F95 HydrophobicContact CB-CE2 4.46Å; V74-F95 HydrophobicContact CG2-CD2 4.13Å; V74-F95 HydrophobicContact CG2-CE2 4.26Å |
| 75 | P | 76.6 | Confident | 70.6 | Confident | 34 Ų | 34 | 76.9 Ų | 76.9 | 22% | 0.221 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.6 | 120.2 | 174.4 | 27.4 | -34.6 | 0 | 0 | 0 | 109.6 | S59 S77 V90 R91 F92 | S59-P75 WeakPolarHBondContact O-CD 3.03Å; P75-S77 PolarHBondContact O-N 3.3Å; P75-V90 HydrophobicContact CB-CG1 3.32Å; P75-R91 CarbonylContact C-O 3.54Å; P75-F92 HydrophobicContact CB-CE1 4.35Å |
| 76 | S | 69.9 | Low | 69 | Low | 62 Ų | 62 | 77.7 Ų | 77.7 | 43% | 0.434 | 42% | 0.416 | S | S | . | . | trans | -86.5 | 23.4 | -179.7 | -55.2 | 0 | 0 | 0 | 0 | 113.1 | V74 R91 S93 | V74-S76 PolarHBondContact O-N 2.86Å; S76-R91 WeakPolarHBondContact CB-O 3.2Å; S76-R91 PolarHBondContact N-O 3.32Å; S76-S93 VanDerWaalsContact OG-CB 3.24Å; S76-S93 WeakPolarHBondContact OG-CB 3.13Å; S76-S93 PolarHBondContact OG-N 3.34Å; S76-S93 PolarHBondContact OG-OG 2.87Å | ||
| 77 | S | 62.4 | Low | 67.7 | Low | 37 Ų | 37 | 72.1 Ų | 72.1 | 26% | 0.259 | 39% | 0.387 | S | S | . | . | trans | -90.6 | 124.2 | 176.8 | 162 | 0 | 0 | 0 | 0 | 108.6 | P75 N79 | P75-S77 PolarHBondContact O-N 3.3Å; S77-N79 PolarHBondContact O-N 2.85Å; S77-N79 VanDerWaalsContact O-N 3.11Å; S77-N79 WeakPolarHBondContact OG-CA 3.25Å; S77-N79 WeakPolarHBondContact OG-CB 3.17Å; S77-N79 PolarHBondContact OG-N 3.07Å; S77-N79 VanDerWaalsContact OG-N 3.11Å; S77-N79 PolarHBondContact OG-O 3.17Å | ||
| 78 | D | 57.7 | Low | 66.4 | Low | 168 Ų | 168 | 77.1 Ų | 77.1 | 90% | 0.898 | 41% | 0.406 | S | S | * | . | S | Bend | trans | -58.5 | -20.4 | 170.8 | -65.5 | -32.6 | 0 | 0 | 0 | 111.8 | T80 | D78-T80 PolarHBondContact O-N 2.82Š|
| 79 | N | 52 | Low | 65.2 | Low | 104 Ų | 104 | 80 Ų | 80 | 56% | 0.556 | 41% | 0.41 | S | S | * | . | trans | -81.4 | 104.1 | 169 | -95.7 | -20.9 | 0 | 0 | 0 | 110.3 | S77 E81 L86 | S77-N79 PolarHBondContact O-N 2.85Å; S77-N79 VanDerWaalsContact O-N 3.11Å; S77-N79 WeakPolarHBondContact OG-CA 3.25Å; S77-N79 WeakPolarHBondContact OG-CB 3.17Å; S77-N79 PolarHBondContact OG-N 3.07Å; S77-N79 VanDerWaalsContact OG-N 3.11Å; S77-N79 PolarHBondContact OG-O 3.17Å; N79-E81 PolarHBondContact O-N 3.12Å; N79-L86 HydrophobicContact CB-CD1 4.36Å | ||
| 80 | T | 52.1 | Low | 63.9 | Low | 136 Ų | 136 | 78.7 Ų | 78.7 | 83% | 0.834 | 40% | 0.404 | S | S | * | . | trans | -70.9 | -15 | 171.9 | 41.4 | 0 | 0 | 0 | 0 | 113.8 | D78 M82 | D78-T80 PolarHBondContact O-N 2.82Å; T80-M82 PolarHBondContact O-N 3Å | ||
| 81 | E | 53.5 | Low | 62.8 | Low | 139 Ų | 139 | 84.2 Ų | 84.2 | 65% | 0.65 | 42% | 0.419 | S | S | * | . | trans | -70.3 | 101.6 | 168.9 | -78.5 | 179.2 | 161.4 | 0 | 0 | 107.5 | N79 D83 L86 | N79-E81 PolarHBondContact O-N 3.12Å; E81-D83 PolarHBondContact O-N 3.07Å; E81-L86 VanDerWaalsContact O-CD1 3.25Å; E81-L86 WeakPolarHBondContact O-CD1 3.46Å | ||
| 82 | M | 54.9 | Low | 61.6 | Low | 41 Ų | 41 | 84.9 Ų | 84.9 | 20% | 0.202 | 42% | 0.422 | C | S | . | . | trans | -74 | 61.8 | 178.6 | -160.3 | 160.4 | 61.9 | 0 | 0 | 109.6 | Y11 P13 S59 T80 | Y11-M82 HydrophobicContact CE1-CE 4.42Å; Y11-M82 HydrophobicContact CE1-SD 4.06Å; P13-M82 HydrophobicContact CG-CE 4.15Å; S59-M82 PolarHBondContact OG-SD 2.87Å; T80-M82 PolarHBondContact O-N 3Å | ||
| 83 | D | 49.9 | Very low | 60.2 | Low | 94 Ų | 94 | 84 Ų | 84 | 50% | 0.503 | 42% | 0.42 | S | S | . | . | trans | -69 | 140.7 | -175.3 | -132.1 | -15 | 0 | 0 | 0 | 109 | E81 Q85 L86 | E81-D83 PolarHBondContact O-N 3.07Å; D83-Q85 PolarHBondContact O-N 3.25Å; D83-L86 HydrophobicContact CB-CB 4.5Å; D83-L86 HydrophobicContact CB-CD1 3.67Å; D83-L86 HydrophobicContact CB-CG 3.94Å; D83-L86 WeakPolarHBondContact O-CA 3.42Å; D83-L86 WeakPolarHBondContact O-CB 3.22Å; D83-L86 PolarHBondContact O-N 3.09Å | ||
| 84 | R | 51.4 | Low | 59 | Low | 114 Ų | 114 | 86.6 Ų | 86.6 | 43% | 0.43 | 44% | 0.435 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55 | -28.8 | -170.9 | -67.6 | 173.1 | 177.1 | -117 | -1.4 | 113.3 | Q33 | Q33-R84 VanDerWaalsContact NE2-NH1 3.12Š|
| 85 | Q | 51.6 | Low | 58.1 | Low | 162 Ų | 162 | 90.1 Ų | 90.1 | 76% | 0.757 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.4 | -19.6 | 177.5 | -77.9 | 163.6 | -9.5 | 0 | 0 | 113.3 | D83 | D83-Q85 PolarHBondContact O-N 3.25Š|
| 86 | L | 53.9 | Low | 57.1 | Low | 34 Ų | 34 | 93 Ų | 93 | 18% | 0.178 | 46% | 0.459 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.6 | -27.9 | -174.2 | -67.4 | 174.7 | 0 | 0 | 0 | 113.3 | N79 E81 D83 K88 Q89 V90 | N79-L86 HydrophobicContact CB-CD1 4.36Å; E81-L86 VanDerWaalsContact O-CD1 3.25Å; E81-L86 WeakPolarHBondContact O-CD1 3.46Å; D83-L86 HydrophobicContact CB-CB 4.5Å; D83-L86 HydrophobicContact CB-CD1 3.67Å; D83-L86 HydrophobicContact CB-CG 3.94Å; D83-L86 WeakPolarHBondContact O-CA 3.42Å; D83-L86 WeakPolarHBondContact O-CB 3.22Å; D83-L86 PolarHBondContact O-N 3.09Å; L86-K88 PolarHBondContact O-N 3.33Å; L86-Q89 CarbonylContact O-C 3.26Å; L86-Q89 WeakPolarHBondContact O-CA 3.48Å; L86-Q89 WeakPolarHBondContact O-CB 3.38Å; L86-Q89 PolarHBondContact O-N 3.21Å; L86-V90 HydrophobicContact CB-CG2 3.96Å; L86-V90 WeakPolarHBondContact O-CG2 3.44Å; L86-V90 PolarHBondContact O-N 3.18Å |
| 87 | L | 56.1 | Low | 56.3 | Low | 2 Ų | 2 | 94.9 Ų | 94.9 | 1% | 0.01 | 46% | 0.461 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | -30.7 | -180 | -91.7 | -166.9 | 0 | 0 | 0 | 113.6 | F17 F29 K39 Q89 V90 F92 | F17-L87 HydrophobicContact CD1-CD1 3.86Å; F17-L87 HydrophobicContact CD2-CD1 3.45Å; F17-L87 VanDerWaalsContact CD2-CD1 3.45Å; F17-L87 HydrophobicContact CE1-CD1 3.69Å; F17-L87 HydrophobicContact CE2-CD1 3.24Å; F17-L87 HydrophobicContact CE2-CG 4.03Å; F17-L87 HydrophobicContact CG-CD1 3.77Å; F17-L87 HydrophobicContact CZ-CB 4.44Å; F17-L87 HydrophobicContact CZ-CD1 3.39Å; F17-L87 HydrophobicContact CZ-CG 4.07Å; F29-L87 HydrophobicContact CD1-CD1 4.18Å; K39-L87 WeakPolarHBondContact CD-O 3.49Å; L87-Q89 PolarHBondContact O-N 3.44Å; L87-V90 HydrophobicContact CD2-CB 4.43Å; L87-F92 HydrophobicContact CD2-CE2 4.05Å; L87-F92 HydrophobicContact CD2-CZ 3.93Å |
| 88 | K | 55.2 | Low | 55.7 | Low | 152 Ų | 152 | 97 Ų | 97 | 66% | 0.661 | 48% | 0.476 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -27.4 | 172.9 | -68.2 | -176.6 | 179.9 | 178.5 | 0 | 112.7 | L86 | L86-K88 PolarHBondContact O-N 3.33Š|
| 89 | Q | 54.2 | Low | 55.2 | Low | 146 Ų | 146 | 97.1 Ų | 97.1 | 68% | 0.682 | 47% | 0.465 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.3 | -32.3 | -176.4 | -61.3 | -179.1 | -2.6 | 0 | 0 | 113.5 | L86 L87 R91 | L86-Q89 CarbonylContact O-C 3.26Å; L86-Q89 WeakPolarHBondContact O-CA 3.48Å; L86-Q89 WeakPolarHBondContact O-CB 3.38Å; L86-Q89 PolarHBondContact O-N 3.21Å; L87-Q89 PolarHBondContact O-N 3.44Å; Q89-R91 PolarHBondContact O-N 3.38Å |
| 90 | V | 53.8 | Low | 55.2 | Low | 10 Ų | 10 | 96.7 Ų | 96.7 | 6% | 0.061 | 47% | 0.469 | C | S | . | . | P | Polyproline II helix | trans | -57.3 | 123.7 | 178.5 | 169.1 | 0 | 0 | 0 | 0 | 107.4 | K39 P75 L86 L87 | K39-V90 PolarHBondContact NZ-O 3.19Å; P75-V90 HydrophobicContact CB-CG1 3.32Å; L86-V90 HydrophobicContact CB-CG2 3.96Å; L86-V90 WeakPolarHBondContact O-CG2 3.44Å; L86-V90 PolarHBondContact O-N 3.18Å; L87-V90 HydrophobicContact CD2-CB 4.43Å |
| 91 | R | 62 | Low | 54.8 | Low | 204 Ų | 204 | 101.9 Ų | 101.9 | 77% | 0.77 | 49% | 0.492 | S | S | * | . | P | Polyproline II helix | trans | -83.3 | 145 | 167.8 | -70.9 | 179.6 | 176.9 | 162.9 | -0.5 | 108.3 | P75 S76 Q89 | P75-R91 CarbonylContact C-O 3.54Å; S76-R91 WeakPolarHBondContact CB-O 3.2Å; S76-R91 PolarHBondContact N-O 3.32Å; Q89-R91 PolarHBondContact O-N 3.38Å |
| 92 | F | 62.6 | Low | 54.8 | Low | 25 Ų | 25 | 100 Ų | 100 | 11% | 0.11 | 48% | 0.484 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 135 | 165.6 | -73.7 | -94.6 | 0 | 0 | 0 | 107.9 | F29 K39 M41 W73 V74 P75 L87 | F29-F92 HydrophobicContact CE1-CE2 4.49Å; F29-F92 HydrophobicContact CE1-CZ 4.07Å; F29-F92 HydrophobicContact CZ-CE2 4.19Å; F29-F92 AromaticContact CZ-CZ 3.9Å; F29-F92 HydrophobicContact CZ-CZ 3.9Å; K39-F92 HydrophobicContact CD-CD2 4.49Å; K39-F92 HydrophobicContact CD-CE2 4.29Å; M41-F92 HydrophobicContact CE-CB 4.42Å; M41-F92 HydrophobicContact CE-CD2 3.98Å; M41-F92 HydrophobicContact CE-CE2 4.46Å; M41-F92 HydrophobicContact CE-CG 4.19Å; M41-F92 HydrophobicContact SD-CB 3.76Å; M41-F92 HydrophobicContact SD-CD2 3.26Å; M41-F92 WeakPolarHBondContact SD-CD2 2.71Å; M41-F92 HydrophobicContact SD-CE2 4.05Å; M41-F92 HydrophobicContact SD-CG 3.75Å; W73-F92 HydrophobicContact CB-CB 4.32Å; W73-F92 HydrophobicContact CB-CD1 3.78Å; W73-F92 HydrophobicContact CB-CG 4.34Å; W73-F92 HydrophobicContact CE3-CB 3.86Å; V74-F92 WeakPolarHBondContact O-CA 3.33Å; P75-F92 HydrophobicContact CB-CE1 4.35Å; L87-F92 HydrophobicContact CD2-CE2 4.05Å; L87-F92 HydrophobicContact CD2-CZ 3.93Å |
| 93 | S | 62 | Low | 54.8 | Low | 36 Ų | 36 | 103.1 Ų | 103.1 | 25% | 0.252 | 50% | 0.498 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 134.2 | 169.3 | 45.1 | 0 | 0 | 0 | 0 | 108.6 | V74 S76 F95 | V74-S93 PolarHBondContact N-O 2.73Å; V74-S93 PolarHBondContact O-N 2.74Å; V74-S93 PolarHBondContact O-OG 2.99Å; S76-S93 VanDerWaalsContact OG-CB 3.24Å; S76-S93 WeakPolarHBondContact OG-CB 3.13Å; S76-S93 PolarHBondContact OG-N 3.34Å; S76-S93 PolarHBondContact OG-OG 2.87Å; S93-F95 WeakPolarHBondContact OG-CE2 3.43Å |
| 94 | L | 63.3 | Low | 55.1 | Low | 68 Ų | 68 | 103.6 Ų | 103.6 | 36% | 0.356 | 50% | 0.498 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 115.2 | 174.2 | 172.6 | 59.6 | 0 | 0 | 0 | 108.2 | K71 W73 L96 | K71-L94 HydrophobicContact CB-CD1 3.37Å; K71-L94 HydrophobicContact CD-CD1 3.83Å; K71-L94 HydrophobicContact CD-CD2 4.14Å; K71-L94 HydrophobicContact CG-CD1 3.62Å; W73-L94 HydrophobicContact CE3-CB 4.47Å; W73-L94 HydrophobicContact CH2-CB 4.25Å; W73-L94 HydrophobicContact CH2-CD1 4.23Å; W73-L94 HydrophobicContact CH2-CD2 4.34Å; W73-L94 HydrophobicContact CZ2-CD1 4.01Å; W73-L94 HydrophobicContact CZ3-CB 4.08Å; L94-L96 HydrophobicContact CD1-CD2 4.28Å; L94-L96 HydrophobicContact CD2-CD2 3.96Å; L94-L96 HydrophobicContact CD2-CG 4.03Å; L94-L96 HydrophobicContact CG-CD2 4.22Å; L94-L96 HydrophobicContact CG-CG 4.06Å |
| 95 | F | 64.2 | Low | 55.3 | Low | 124 Ų | 124 | 103 Ų | 103 | 54% | 0.544 | 50% | 0.502 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 111.7 | 162.9 | -67.6 | -89.9 | 0 | 0 | 0 | 107.4 | L72 V74 S93 | L72-F95 HydrophobicContact CB-CB 4.39Å; L72-F95 PolarHBondContact N-O 3.32Å; L72-F95 VanDerWaalsContact N-O 3.13Å; L72-F95 PolarHBondContact O-N 3.34Å; V74-F95 HydrophobicContact CB-CE2 4.46Å; V74-F95 HydrophobicContact CG2-CD2 4.13Å; V74-F95 HydrophobicContact CG2-CE2 4.26Å; S93-F95 WeakPolarHBondContact OG-CE2 3.43Å |
| 96 | L | 57.3 | Low | 55.6 | Low | 96 Ų | 96 | 99.3 Ų | 99.3 | 50% | 0.503 | 49% | 0.486 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 125 | 170.6 | -72.1 | 170.1 | 0 | 0 | 0 | 108 | D69 K71 L94 | D69-L96 HydrophobicContact CB-CD2 4.03Å; K71-L96 HydrophobicContact CD-CD2 4.34Å; K71-L96 HydrophobicContact CG-CD2 3.89Å; L94-L96 HydrophobicContact CD1-CD2 4.28Å; L94-L96 HydrophobicContact CD2-CD2 3.96Å; L94-L96 HydrophobicContact CD2-CG 4.03Å; L94-L96 HydrophobicContact CG-CD2 4.22Å; L94-L96 HydrophobicContact CG-CG 4.06Å |
| 97 | Q | 53.3 | Low | 55.7 | Low | 101 Ų | 101 | 103.7 Ų | 103.7 | 47% | 0.472 | 51% | 0.507 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 92.2 | 162.5 | -164.3 | 159.3 | -13 | 0 | 0 | 107.1 | I70 Y99 | I70-Q97 PolarHBondContact O-N 2.74Å; Q97-Y99 HydrophobicContact CG-CD2 4.23Å; Q97-Y99 HydrophobicContact CG-CE2 3.72Å; Q97-Y99 PolarHBondContact NE2-OH 3.16Å; Q97-Y99 VanDerWaalsContact NE2-OH 3.13Å; Q97-Y99 PolarHBondContact O-N 3.29Å |
| 98 | S | 49.7 | Very low | 55.6 | Low | 81 Ų | 81 | 110.9 Ų | 110.9 | 57% | 0.566 | 54% | 0.542 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74 | 117.7 | 174.7 | 48 | 0 | 0 | 0 | 0 | 108.9 | D69 | D69-S98 WeakPolarHBondContact OD1-CA 3.5Å; D69-S98 WeakPolarHBondContact OD1-CB 3.47Å |
| 99 | Y | 47.2 | Very low | 55.7 | Low | 171 Ų | 171 | 107.8 Ų | 107.8 | 67% | 0.671 | 53% | 0.533 | S | S | * | . | trans | -101.9 | 90.3 | 164.5 | -78.4 | -90.1 | 0 | 0 | 0 | 107.1 | Q97 | Q97-Y99 HydrophobicContact CG-CD2 4.23Å; Q97-Y99 HydrophobicContact CG-CE2 3.72Å; Q97-Y99 PolarHBondContact NE2-OH 3.16Å; Q97-Y99 VanDerWaalsContact NE2-OH 3.13Å; Q97-Y99 PolarHBondContact O-N 3.29Å | ||
| 100 | C | 51 | Low | 55.8 | Low | 94 Ų | 94 | 104.6 Ų | 104.6 | 64% | 0.635 | 52% | 0.521 | S | S | * | . | trans | -119.8 | 124.7 | 163.4 | -71.2 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 101 | D | 43.2 | Very low | 56 | Low | 245 Ų | 245 | 113.2 Ų | 113.2 | 100% | 1.31 | 56% | 0.563 | S | S | * | * | trans | -56.4 | 0 | 163.4 | -72.7 | -35.5 | 0 | 0 | 0 | 111.2 |
Retrieved 101 of 101 residues in 26.7 ms
(Link to these results)