| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 38.7 | Very low | 50 | Low | 219 Ų | 219 | 142.5 Ų | 142.5 | 100% | 1.079 | 69% | 0.69 | S | S | * | * | 0 | 68.6 | 0 | -177.6 | 173.8 | 177.3 | 0 | 0 | 108.4 | |||||
| 2 | E | 33 | Very low | 52.5 | Low | 167 Ų | 167 | 132.5 Ų | 132.5 | 78% | 0.78 | 65% | 0.653 | S | S | * | * | trans | -139.1 | 160 | -163.6 | -68.3 | 78.7 | -142.3 | 0 | 0 | 114.6 | ||||
| 3 | D | 37.3 | Very low | 55 | Low | 109 Ų | 109 | 124.5 Ų | 124.5 | 58% | 0.583 | 62% | 0.616 | S | S | * | * | trans | 70.4 | 61.3 | 153.6 | -75.9 | -22.2 | 0 | 0 | 0 | 119.7 | K5 | D3-K5 HydrophobicContact CB-CG 4.29Å; D3-K5 PolarHBondContact O-N 3.13Å; D3-K5 IonicContact OD1-NZ 2.72Å; D3-K5 PolarHBondContact OD1-NZ 2.82Å; D3-K5 IonicContact OD2-NZ 3.82Å; D3-K5 PolarHBondContact OD2-NZ 3.25Å | ||
| 4 | D | 41.7 | Very low | 57.2 | Low | 155 Ų | 155 | 122.9 Ų | 122.9 | 83% | 0.829 | 60% | 0.599 | S | S | * | * | trans | -58.1 | 65.2 | 135.2 | -75.1 | -71.7 | 0 | 0 | 0 | 112.6 | ||||
| 5 | K | 39.7 | Very low | 58.9 | Low | 136 Ų | 136 | 124.7 Ų | 124.7 | 59% | 0.591 | 60% | 0.603 | S | S | * | * | trans | -85.4 | 139.8 | 168 | -81.4 | -172.9 | 173.5 | 74.4 | 0 | 111.5 | D3 E7 | D3-K5 HydrophobicContact CB-CG 4.29Å; D3-K5 PolarHBondContact O-N 3.13Å; D3-K5 IonicContact OD1-NZ 2.72Å; D3-K5 PolarHBondContact OD1-NZ 2.82Å; D3-K5 IonicContact OD2-NZ 3.82Å; D3-K5 PolarHBondContact OD2-NZ 3.25Å; K5-E7 VanDerWaalsContact C-N 3.34Å; K5-E7 PolarHBondContact O-N 3.19Å | ||
| 6 | K | 38.3 | Very low | 60.5 | Low | 210 Ų | 210 | 126.9 Ų | 126.9 | 91% | 0.913 | 60% | 0.603 | S | S | * | * | trans | -80 | 74.6 | -175.9 | -62 | 171.2 | -177.6 | 172.6 | 0 | 110.8 | ||||
| 7 | E | 47.5 | Very low | 61.4 | Low | 164 Ų | 164 | 127.2 Ų | 127.2 | 77% | 0.766 | 62% | 0.618 | S | S | * | * | trans | -114.9 | 146.8 | 172.7 | -153.7 | 63 | -92.2 | 0 | 0 | 110.4 | K5 K9 | K5-E7 VanDerWaalsContact C-N 3.34Å; K5-E7 PolarHBondContact O-N 3.19Å; E7-K9 PolarHBondContact O-N 2.69Å | ||
| 8 | G | 51.6 | Low | 62.3 | Low | 63 Ų | 63 | 131.9 Ų | 131.9 | 65% | 0.649 | 63% | 0.628 | S | S | * | * | trans | -60.1 | 86.8 | -163.3 | 0 | 0 | 0 | 0 | 0 | 116.6 | Y10 | G8-Y10 PolarHBondContact O-N 3.29Å; G8-Y10 VanDerWaalsContact O-N 3.16Å | ||
| 9 | K | 69.7 | Low | 63.1 | Low | 166 Ų | 166 | 127 Ų | 127 | 72% | 0.722 | 62% | 0.616 | S | S | * | * | trans | -77.3 | 94.6 | 173.5 | -66.3 | 168.7 | -170.7 | 171.9 | 0 | 110.4 | E7 | E7-K9 PolarHBondContact O-N 2.69Š| ||
| 10 | Y | 75.3 | Confident | 64.2 | Low | 69 Ų | 69 | 124.4 Ų | 124.4 | 27% | 0.271 | 60% | 0.601 | S | S | . | * | trans | -55.8 | 140.3 | 174.7 | -63.5 | -65.1 | 0 | 0 | 0 | 112.6 | G8 G12 V13 A43 E44 A47 N65 F66 | G8-Y10 PolarHBondContact O-N 3.29Å; G8-Y10 VanDerWaalsContact O-N 3.16Å; Y10-G12 PolarHBondContact O-N 3.4Å; Y10-V13 WeakPolarHBondContact O-CB 3.31Å; Y10-V13 PolarHBondContact O-N 3.29Å; Y10-V13 VanDerWaalsContact O-N 3.16Å; Y10-A43 HydrophobicContact CD2-CB 3.88Å; Y10-A43 HydrophobicContact CE2-CB 3.99Å; Y10-E44 HydrophobicContact CE2-CG 4.07Å; Y10-A47 HydrophobicContact CD1-CB 4.04Å; Y10-A47 HydrophobicContact CD2-CB 3.85Å; Y10-A47 HydrophobicContact CG-CB 3.55Å; Y10-N65 WeakPolarHBondContact CA-OD1 3.44Å; Y10-N65 HydrophobicContact CD1-CB 3.96Å; Y10-F66 HydrophobicContact CD1-CZ 4.34Å; Y10-F66 AromaticContact CE1-CE1 3.91Å; Y10-F66 HydrophobicContact CE1-CE1 3.91Å; Y10-F66 AromaticContact CE1-CZ 3.71Å; Y10-F66 HydrophobicContact CE1-CZ 3.71Å; Y10-F66 HydrophobicContact CE2-CZ 4.33Å; Y10-F66 AromaticContact CZ-CZ 3.71Å | ||
| 11 | R | 77.5 | Confident | 65.2 | Low | 109 Ų | 109 | 120.2 Ų | 120.2 | 41% | 0.411 | 58% | 0.581 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -61.9 | 132.6 | 179.8 | -156.6 | 178.8 | 97.7 | 175.3 | 0.3 | 110.5 | V13 Y50 V63 N65 | R11-V13 PolarHBondContact O-N 3.13Å; R11-Y50 HydrophobicContact CB-CE1 4.22Å; R11-Y50 HydrophobicContact CG-CE1 4.23Å; R11-Y50 VanDerWaalsContact CZ-OH 3.3Å; R11-Y50 PolarHBondContact NE-OH 2.91Å; R11-Y50 PolarHBondContact NH2-OH 2.77Å; R11-Y50 VanDerWaalsContact O-CD1 3.26Å; R11-Y50 WeakPolarHBondContact O-CD1 3.32Å; R11-V63 PolarHBondContact NH1-O 2.82Å; R11-V63 PolarHBondContact NH2-O 2.84Å; R11-N65 WeakPolarHBondContact CB-OD1 3.46Å; R11-N65 PolarHBondContact N-OD1 3.38Å; R11-N65 PolarHBondContact O-ND2 2.91Å; R11-N65 VanDerWaalsContact O-ND2 3.08Å |
| 12 | G | 80.3 | Confident | 67.5 | Low | 23 Ų | 23 | 109.9 Ų | 109.9 | 24% | 0.237 | 53% | 0.53 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 79.6 | -4.1 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | Y10 A23 E24 | Y10-G12 PolarHBondContact O-N 3.4Å; G12-A23 WeakPolarHBondContact O-CA 3.25Å; G12-E24 PolarHBondContact O-N 2.96Å |
| 13 | V | 84.8 | Confident | 70.2 | Confident | 29 Ų | 29 | 102 Ų | 102 | 18% | 0.176 | 49% | 0.493 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 128.4 | -178.1 | -174.7 | 0 | 0 | 0 | 0 | 111.3 | Y10 R11 F21 A22 A46 A47 | Y10-V13 WeakPolarHBondContact O-CB 3.31Å; Y10-V13 PolarHBondContact O-N 3.29Å; Y10-V13 VanDerWaalsContact O-N 3.16Å; R11-V13 PolarHBondContact O-N 3.13Å; V13-F21 HydrophobicContact CG1-CB 3.95Å; V13-F21 HydrophobicContact CG1-CD1 3.87Å; V13-F21 HydrophobicContact CG1-CG 4.33Å; V13-A22 WeakPolarHBondContact CA-O 3.35Å; V13-A46 HydrophobicContact CB-CB 4.34Å; V13-A46 HydrophobicContact CG1-CB 3.7Å; V13-A46 HydrophobicContact CG2-CB 3.7Å; V13-A47 HydrophobicContact CG2-CB 3.87Å |
| 14 | R | 85.5 | Confident | 72.4 | Confident | 102 Ų | 102 | 99.1 Ų | 99.1 | 39% | 0.385 | 48% | 0.476 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 134.5 | 171.4 | 57.5 | 174.7 | 169.6 | 70.9 | 5.5 | 111.9 | F21 A22 E24 | R14-F21 WeakPolarHBondContact O-CA 3.14Å; R14-A22 HydrophobicContact CG-CB 4.05Å; R14-A22 PolarHBondContact N-O 3.15Å; R14-A22 VanDerWaalsContact NH1-CB 3.25Å; R14-A22 PolarHBondContact O-N 3.23Å; R14-E24 IonicContact CZ-OE2 2.67Å; R14-E24 IonicContact NE-OE1 2.66Å; R14-E24 IonicContact NE-OE2 2.66Å; R14-E24 PolarHBondContact NE-OE2 3.3Å; R14-E24 IonicContact NH2-OE2 2.68Å; R14-E24 PolarHBondContact NH2-OE2 3.03Å |
| 15 | K | 83.4 | Confident | 74.4 | Confident | 149 Ų | 149 | 92.1 Ų | 92.1 | 65% | 0.648 | 44% | 0.439 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 128.7 | 174.8 | -167.6 | 172.9 | -174.7 | 174.1 | 0 | 110.1 | F21 | K15-F21 HydrophobicContact CB-CD1 4.14Å; K15-F21 HydrophobicContact CB-CE1 4.1Å; K15-F21 HydrophobicContact CD-CE1 3.94Å; K15-F21 HydrophobicContact CD-CZ 4.2Å; K15-F21 HydrophobicContact CG-CD1 4.29Å; K15-F21 HydrophobicContact CG-CE1 3.99Å; K15-F21 HydrophobicContact CG-CZ 4.47Å |
| 16 | R | 83.4 | Confident | 76.4 | Confident | 161 Ų | 161 | 93.8 Ų | 93.8 | 61% | 0.608 | 44% | 0.441 | S | S | * | . | trans | -90.2 | 152.5 | 173.9 | -164.6 | 71.5 | -164.4 | -110.9 | 5.4 | 109 | W18 G19 K20 | R16-W18 HydrophobicContact CG-CB 4.27Å; R16-W18 PolarHBondContact O-N 2.92Å; R16-G19 PolarHBondContact O-N 3.27Å; R16-K20 PolarHBondContact N-O 3.45Å | ||
| 17 | P | 76.5 | Confident | 77.9 | Confident | 131 Ų | 131 | 84.3 Ų | 84.3 | 85% | 0.851 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | -15.3 | 169.4 | 19.2 | -33.6 | 0 | 0 | 0 | 114.8 | G19 | P17-G19 PolarHBondContact O-N 2.92Š|
| 18 | W | 77.8 | Confident | 78.8 | Confident | 212 Ų | 212 | 81.3 Ų | 81.3 | 80% | 0.803 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.1 | 11.3 | 169 | -167.9 | -116.2 | 0 | 0 | 0 | 114 | R16 K20 | R16-W18 HydrophobicContact CG-CB 4.27Å; R16-W18 PolarHBondContact O-N 2.92Å; W18-K20 PolarHBondContact O-N 2.92Å |
| 19 | G | 77.7 | Confident | 79.5 | Confident | 39 Ų | 39 | 86.1 Ų | 86.1 | 40% | 0.402 | 40% | 0.401 | S | S | . | . | S | Bend | trans | 78.4 | -33 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | R16 P17 | R16-G19 PolarHBondContact O-N 3.27Å; P17-G19 PolarHBondContact O-N 2.92Å |
| 20 | K | 85.4 | Confident | 79.1 | Confident | 74 Ų | 74 | 87.1 Ų | 87.1 | 32% | 0.322 | 40% | 0.4 | S | S | . | . | trans | -64.6 | 153.1 | -179.9 | -56.6 | -67.2 | -176.6 | 169.7 | 0 | 113.4 | R16 W18 D41 | R16-K20 PolarHBondContact N-O 3.45Å; W18-K20 PolarHBondContact O-N 2.92Å; K20-D41 VanDerWaalsContact CD-OD1 3.31Å; K20-D41 WeakPolarHBondContact CD-OD1 3.41Å; K20-D41 WeakPolarHBondContact CE-OD1 3.45Å; K20-D41 IonicContact NZ-OD1 3.12Å; K20-D41 PolarHBondContact NZ-OD1 2.94Å; K20-D41 IonicContact NZ-OD2 2.73Å; K20-D41 PolarHBondContact NZ-OD2 3.38Å | ||
| 21 | F | 84.7 | Confident | 78.5 | Confident | 38 Ų | 38 | 87.7 Ų | 87.7 | 17% | 0.167 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 147.5 | 173 | -59 | -88.8 | 0 | 0 | 0 | 109.9 | V13 R14 K15 T39 F40 A43 A46 | V13-F21 HydrophobicContact CG1-CB 3.95Å; V13-F21 HydrophobicContact CG1-CD1 3.87Å; V13-F21 HydrophobicContact CG1-CG 4.33Å; R14-F21 WeakPolarHBondContact O-CA 3.14Å; K15-F21 HydrophobicContact CB-CD1 4.14Å; K15-F21 HydrophobicContact CB-CE1 4.1Å; K15-F21 HydrophobicContact CD-CE1 3.94Å; K15-F21 HydrophobicContact CD-CZ 4.2Å; K15-F21 HydrophobicContact CG-CD1 4.29Å; K15-F21 HydrophobicContact CG-CE1 3.99Å; K15-F21 HydrophobicContact CG-CZ 4.47Å; F21-T39 CarbonylContact O-C 3.55Å; F21-T39 VanDerWaalsContact O-CA 3.28Å; F21-T39 WeakPolarHBondContact O-CA 3.37Å; F21-F40 PolarHBondContact N-O 2.9Å; F21-F40 PolarHBondContact O-N 2.79Å; F21-A43 HydrophobicContact CD1-CB 3.86Å; F21-A43 HydrophobicContact CD2-CB 4.49Å; F21-A43 HydrophobicContact CE1-CB 3.64Å; F21-A43 HydrophobicContact CE2-CB 4.31Å; F21-A43 HydrophobicContact CG-CB 4.29Å; F21-A43 HydrophobicContact CZ-CB 3.87Å; F21-A46 HydrophobicContact CB-CB 3.98Å |
| 22 | A | 86.3 | Confident | 78.1 | Confident | 2 Ų | 2 | 83.3 Ų | 83.3 | 2% | 0.017 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 137.4 | 172.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | V13 R14 G38 T39 | V13-A22 WeakPolarHBondContact CA-O 3.35Å; R14-A22 HydrophobicContact CG-CB 4.05Å; R14-A22 PolarHBondContact N-O 3.15Å; R14-A22 VanDerWaalsContact NH1-CB 3.25Å; R14-A22 PolarHBondContact O-N 3.23Å; A22-G38 WeakPolarHBondContact CA-O 3.37Å; A22-T39 HydrophobicContact CB-CG2 3.87Å |
| 23 | A | 89.1 | Confident | 78 | Confident | 0 Ų | 0 | 85.2 Ų | 85.2 | 0% | 0 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 131.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | G12 L37 G38 F40 A46 A49 | G12-A23 WeakPolarHBondContact O-CA 3.25Å; A23-L37 HydrophobicContact CB-CB 4.03Å; A23-L37 HydrophobicContact CB-CD1 4.35Å; A23-L37 PolarHBondContact O-N 2.89Å; A23-G38 PolarHBondContact N-O 2.73Å; A23-G38 PolarHBondContact O-N 3.42Å; A23-F40 HydrophobicContact CB-CD2 4.23Å; A23-F40 HydrophobicContact CB-CE2 3.87Å; A23-A46 HydrophobicContact CB-CB 4.19Å; A23-A46 VanDerWaalsContact CB-O 3.32Å; A23-A46 WeakPolarHBondContact CB-O 3.34Å; A23-A49 HydrophobicContact CB-CB 4.39Å |
| 24 | E | 84.7 | Confident | 77.9 | Confident | 49 Ų | 49 | 93 Ų | 93 | 23% | 0.229 | 45% | 0.452 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 141.5 | 172.3 | 62 | -170.4 | -137.3 | 0 | 0 | 110.6 | G12 R14 R34 V35 Y50 | G12-E24 PolarHBondContact O-N 2.96Å; R14-E24 IonicContact CZ-OE2 2.67Å; R14-E24 IonicContact NE-OE1 2.66Å; R14-E24 IonicContact NE-OE2 2.66Å; R14-E24 PolarHBondContact NE-OE2 3.3Å; R14-E24 IonicContact NH2-OE2 2.68Å; R14-E24 PolarHBondContact NH2-OE2 3.03Å; E24-R34 IonicContact OE1-NH1 3.92Å; E24-V35 WeakPolarHBondContact CA-O 3.48Å; E24-Y50 WeakPolarHBondContact O-CD2 3.42Å; E24-Y50 WeakPolarHBondContact O-CE2 3.34Å |
| 25 | I | 83.2 | Confident | 77.7 | Confident | 9 Ų | 9 | 91.2 Ų | 91.2 | 5% | 0.046 | 45% | 0.452 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 156.6 | 174 | -167.5 | 158.2 | 0 | 0 | 0 | 110.5 | R34 V35 L37 Y50 A53 A54 M57 | I25-R34 CarbonylContact O-C 3.52Å; I25-R34 WeakPolarHBondContact O-CA 3.41Å; I25-V35 HydrophobicContact CG2-CB 3.78Å; I25-V35 HydrophobicContact CG2-CG2 4.48Å; I25-V35 PolarHBondContact N-O 3.02Å; I25-V35 PolarHBondContact O-N 2.64Å; I25-L37 HydrophobicContact CB-CD1 4.1Å; I25-L37 HydrophobicContact CG2-CD1 4.15Å; I25-L37 HydrophobicContact CG2-CD2 3.91Å; I25-L37 HydrophobicContact CG2-CG 4.17Å; I25-Y50 HydrophobicContact CB-CD2 4.16Å; I25-Y50 HydrophobicContact CB-CE2 3.88Å; I25-Y50 HydrophobicContact CD1-CE2 4.11Å; I25-Y50 HydrophobicContact CG1-CD2 4.48Å; I25-Y50 HydrophobicContact CG1-CE2 3.8Å; I25-A53 HydrophobicContact CD1-CB 3.97Å; I25-A53 HydrophobicContact CG2-CB 4.23Å; I25-A54 HydrophobicContact CD1-CB 3.94Å; I25-M57 HydrophobicContact CD1-CG 4.32Å; I25-M57 HydrophobicContact CD1-SD 3.62Å; I25-M57 HydrophobicContact CG1-SD 3.95Å |
| 26 | R | 82.5 | Confident | 77.8 | Confident | 171 Ų | 171 | 92 Ų | 92 | 65% | 0.645 | 45% | 0.451 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -128 | 128.8 | 179.8 | -178.4 | -175.4 | 176.5 | -132.9 | -4.3 | 109 | P28 S33 | R26-P28 VanDerWaalsContact O-CD 3.25Å; R26-P28 WeakPolarHBondContact O-CD 3.29Å; R26-S33 WeakPolarHBondContact CA-O 3.2Å |
| 27 | D | 69.5 | Low | 77.9 | Confident | 11 Ų | 11 | 86.9 Ų | 86.9 | 6% | 0.059 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 96.2 | -165.7 | -60.3 | 21.5 | 0 | 0 | 0 | 109.1 | E29 R30 G32 S33 M57 | D27-E29 PolarHBondContact O-N 2.8Å; D27-R30 HydrophobicContact CB-CB 3.84Å; D27-R30 HydrophobicContact CB-CG 4.45Å; D27-R30 CarbonylContact O-C 3.59Å; D27-R30 PolarHBondContact O-N 3.19Å; D27-G32 WeakPolarHBondContact O-CA 3.46Å; D27-G32 PolarHBondContact O-N 2.94Å; D27-S33 PolarHBondContact N-O 2.98Å; D27-M57 HydrophobicContact CB-CE 3.58Å; D27-M57 HydrophobicContact CB-SD 4.46Å; D27-M57 WeakPolarHBondContact OD2-CE 3.48Å |
| 28 | P | 65.9 | Low | 78.4 | Confident | 101 Ų | 101 | 81.3 Ų | 81.3 | 66% | 0.656 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -35.5 | -177.7 | 25 | -33.4 | 0 | 0 | 0 | 111.9 | R26 | R26-P28 VanDerWaalsContact O-CD 3.25Å; R26-P28 WeakPolarHBondContact O-CD 3.29Å |
| 29 | E | 66.1 | Low | 79 | Confident | 163 Ų | 163 | 75.4 Ų | 75.4 | 76% | 0.762 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.6 | -32.8 | -178.9 | -65.5 | 166.8 | 178.1 | 0 | 0 | 112.5 | D27 G31 | D27-E29 PolarHBondContact O-N 2.8Å; E29-G31 VanDerWaalsContact C-N 3.25Å; E29-G31 PolarHBondContact O-N 2.94Å |
| 30 | R | 61 | Low | 79.4 | Confident | 188 Ų | 188 | 75.5 Ų | 75.5 | 71% | 0.709 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.8 | 47.1 | 173.3 | -62.5 | -178.2 | 176.8 | -111 | 0.9 | 111.5 | D27 G32 S33 | D27-R30 HydrophobicContact CB-CB 3.84Å; D27-R30 HydrophobicContact CB-CG 4.45Å; D27-R30 CarbonylContact O-C 3.59Å; D27-R30 PolarHBondContact O-N 3.19Å; R30-G32 VanDerWaalsContact C-N 3.25Å; R30-G32 PolarHBondContact O-N 2.84Å; R30-S33 VanDerWaalsContact O-CB 3.31Å; R30-S33 WeakPolarHBondContact O-CB 3.39Å; R30-S33 PolarHBondContact O-N 3.27Å; R30-S33 VanDerWaalsContact O-N 3.13Å; R30-S33 PolarHBondContact O-OG 3.4Å |
| 31 | G | 63.2 | Low | 79.5 | Confident | 80 Ų | 80 | 77 Ų | 77 | 83% | 0.825 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.1 | 17.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | E29 | E29-G31 VanDerWaalsContact C-N 3.25Å; E29-G31 PolarHBondContact O-N 2.94Å |
| 32 | G | 69 | Low | 79.7 | Confident | 18 Ų | 18 | 78 Ų | 78 | 19% | 0.186 | 40% | 0.399 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 80.1 | 16.2 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | D27 R30 | D27-G32 WeakPolarHBondContact O-CA 3.46Å; D27-G32 PolarHBondContact O-N 2.94Å; R30-G32 VanDerWaalsContact C-N 3.25Å; R30-G32 PolarHBondContact O-N 2.84Å |
| 33 | S | 78 | Confident | 79.7 | Confident | 63 Ų | 63 | 78.6 Ų | 78.6 | 44% | 0.441 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -48.7 | 146.5 | 173.6 | -66 | 0 | 0 | 0 | 0 | 111.8 | R26 D27 R30 | R26-S33 WeakPolarHBondContact CA-O 3.2Å; D27-S33 PolarHBondContact N-O 2.98Å; R30-S33 VanDerWaalsContact O-CB 3.31Å; R30-S33 WeakPolarHBondContact O-CB 3.39Å; R30-S33 PolarHBondContact O-N 3.27Å; R30-S33 VanDerWaalsContact O-N 3.13Å; R30-S33 PolarHBondContact O-OG 3.4Å |
| 34 | R | 83 | Confident | 79.6 | Confident | 193 Ų | 193 | 82.8 Ų | 82.8 | 73% | 0.728 | 42% | 0.424 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 117.2 | 175.4 | -59.1 | -172.3 | -167.2 | -166 | 6.8 | 109.7 | E24 I25 | E24-R34 IonicContact OE1-NH1 3.92Å; I25-R34 CarbonylContact O-C 3.52Å; I25-R34 WeakPolarHBondContact O-CA 3.41Å |
| 35 | V | 80.6 | Confident | 79.7 | Confident | 63 Ų | 63 | 84.1 Ų | 84.1 | 38% | 0.382 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 118.5 | 175 | -175.5 | 0 | 0 | 0 | 0 | 108.3 | E24 I25 L37 | E24-V35 WeakPolarHBondContact CA-O 3.48Å; I25-V35 HydrophobicContact CG2-CB 3.78Å; I25-V35 HydrophobicContact CG2-CG2 4.48Å; I25-V35 PolarHBondContact N-O 3.02Å; I25-V35 PolarHBondContact O-N 2.64Å; V35-L37 HydrophobicContact CG1-CD2 4.17Å |
| 36 | W | 85.7 | Confident | 79.9 | Confident | 166 Ų | 166 | 83.7 Ų | 83.7 | 63% | 0.629 | 43% | 0.428 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 122 | 172.6 | 176 | 42.5 | 0 | 0 | 0 | 109 | G38 T39 | W36-G38 PolarHBondContact NE1-O 3.46Å; W36-T39 HydrophobicContact CZ2-CG2 4.02Å |
| 37 | L | 85.5 | Confident | 80.2 | Confident | 53 Ų | 53 | 75.5 Ų | 75.5 | 28% | 0.277 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | -19.1 | -174.6 | -58.4 | 174.9 | 0 | 0 | 0 | 112.9 | A23 I25 V35 Y50 A53 | A23-L37 HydrophobicContact CB-CB 4.03Å; A23-L37 HydrophobicContact CB-CD1 4.35Å; A23-L37 PolarHBondContact O-N 2.89Å; I25-L37 HydrophobicContact CB-CD1 4.1Å; I25-L37 HydrophobicContact CG2-CD1 4.15Å; I25-L37 HydrophobicContact CG2-CD2 3.91Å; I25-L37 HydrophobicContact CG2-CG 4.17Å; V35-L37 HydrophobicContact CG1-CD2 4.17Å; L37-Y50 HydrophobicContact CD1-CD2 4.31Å; L37-A53 HydrophobicContact CD1-CB 3.51Å; L37-A53 HydrophobicContact CD2-CB 3.59Å; L37-A53 HydrophobicContact CG-CB 4.2Å |
| 38 | G | 87.6 | Confident | 81.1 | Confident | 15 Ų | 15 | 81.3 Ų | 81.3 | 16% | 0.155 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 146.3 | -175.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | A22 A23 W36 | A22-G38 WeakPolarHBondContact CA-O 3.37Å; A23-G38 PolarHBondContact N-O 2.73Å; A23-G38 PolarHBondContact O-N 3.42Å; W36-G38 PolarHBondContact NE1-O 3.46Å |
| 39 | T | 89.4 | Confident | 82.2 | Confident | 87 Ų | 87 | 77.4 Ų | 77.4 | 53% | 0.534 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 134.1 | 171 | 44.7 | 0 | 0 | 0 | 0 | 109.1 | F21 A22 W36 | F21-T39 CarbonylContact O-C 3.55Å; F21-T39 VanDerWaalsContact O-CA 3.28Å; F21-T39 WeakPolarHBondContact O-CA 3.37Å; A22-T39 HydrophobicContact CB-CG2 3.87Å; W36-T39 HydrophobicContact CZ2-CG2 4.02Å |
| 40 | F | 87.4 | Confident | 83.2 | Confident | 41 Ų | 41 | 70.6 Ų | 70.6 | 18% | 0.18 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 159.1 | -169.7 | -56.8 | -82.3 | 0 | 0 | 0 | 110.3 | F21 A23 E45 A46 A49 | F21-F40 PolarHBondContact N-O 2.9Å; F21-F40 PolarHBondContact O-N 2.79Å; A23-F40 HydrophobicContact CB-CD2 4.23Å; A23-F40 HydrophobicContact CB-CE2 3.87Å; F40-E45 HydrophobicContact CB-CB 4.22Å; F40-E45 HydrophobicContact CB-CG 4.18Å; F40-E45 HydrophobicContact CD1-CB 4.4Å; F40-E45 VanDerWaalsContact CD1-CD 3.5Å; F40-E45 HydrophobicContact CD1-CG 3.52Å; F40-E45 HydrophobicContact CE1-CG 4.18Å; F40-E45 HydrophobicContact CG-CB 4.46Å; F40-E45 HydrophobicContact CG-CG 4.04Å; F40-A46 HydrophobicContact CB-CB 4.12Å; F40-A46 VanDerWaalsContact CD2-CA 3.49Å; F40-A46 HydrophobicContact CD2-CB 3.74Å; F40-A46 HydrophobicContact CG-CB 4.26Å; F40-A49 HydrophobicContact CD2-CB 4.47Å; F40-A49 HydrophobicContact CE1-CB 4.28Å; F40-A49 HydrophobicContact CE2-CB 3.57Å; F40-A49 HydrophobicContact CZ-CB 3.45Å; F40-A49 VanDerWaalsContact CZ-CB 3.45Å |
| 41 | D | 87.1 | Confident | 84.4 | Confident | 105 Ų | 105 | 62.2 Ų | 62.2 | 56% | 0.561 | 33% | 0.331 | S | S | * | . | S | Bend | trans | -85.9 | -21.7 | -175.2 | -80 | 27.8 | 0 | 0 | 0 | 112.1 | K20 | K20-D41 VanDerWaalsContact CD-OD1 3.31Å; K20-D41 WeakPolarHBondContact CD-OD1 3.41Å; K20-D41 WeakPolarHBondContact CE-OD1 3.45Å; K20-D41 IonicContact NZ-OD1 3.12Å; K20-D41 PolarHBondContact NZ-OD1 2.94Å; K20-D41 IonicContact NZ-OD2 2.73Å; K20-D41 PolarHBondContact NZ-OD2 3.38Å |
| 42 | T | 88.2 | Confident | 85.5 | Confident | 59 Ų | 59 | 67.7 Ų | 67.7 | 36% | 0.362 | 33% | 0.327 | S | S | . | . | S | Bend | trans | -120 | 157 | 179.8 | 65.9 | 0 | 0 | 0 | 0 | 111.3 | E44 E45 A46 | T42-E44 VanDerWaalsContact C-N 3.34Å; T42-E44 WeakPolarHBondContact CB-OE2 3.44Å; T42-E45 WeakPolarHBondContact OG1-CB 3.35Å; T42-E45 PolarHBondContact OG1-N 2.68Å; T42-A46 PolarHBondContact O-N 2.65Å |
| 43 | A | 86.3 | Confident | 86.3 | Confident | 15 Ų | 15 | 67.7 Ų | 67.7 | 12% | 0.124 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -74.4 | -32.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111 | Y10 F21 A46 A47 | Y10-A43 HydrophobicContact CD2-CB 3.88Å; Y10-A43 HydrophobicContact CE2-CB 3.99Å; F21-A43 HydrophobicContact CD1-CB 3.86Å; F21-A43 HydrophobicContact CD2-CB 4.49Å; F21-A43 HydrophobicContact CE1-CB 3.64Å; F21-A43 HydrophobicContact CE2-CB 4.31Å; F21-A43 HydrophobicContact CG-CB 4.29Å; F21-A43 HydrophobicContact CZ-CB 3.87Å; A43-A46 PolarHBondContact O-N 2.73Å; A43-A47 VanDerWaalsContact O-CB 3.24Å; A43-A47 WeakPolarHBondContact O-CB 3.17Å; A43-A47 PolarHBondContact O-N 2.88Å |
| 44 | E | 87.2 | Confident | 86.6 | Confident | 88 Ų | 88 | 64.9 Ų | 64.9 | 41% | 0.411 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -73.9 | -35.1 | -175.8 | -58.3 | 74.5 | -168.7 | 0 | 0 | 111.7 | Y10 T42 R48 F66 | Y10-E44 HydrophobicContact CE2-CG 4.07Å; T42-E44 VanDerWaalsContact C-N 3.34Å; T42-E44 WeakPolarHBondContact CB-OE2 3.44Å; E44-R48 WeakPolarHBondContact O-CB 3.38Å; E44-R48 VanDerWaalsContact O-CG 3.28Å; E44-R48 WeakPolarHBondContact O-CG 3.25Å; E44-R48 PolarHBondContact O-N 2.94Å; E44-R48 PolarHBondContact O-NE 3.31Å; E44-F66 HydrophobicContact CB-CZ 4.05Å; E44-F66 HydrophobicContact CG-CZ 4.36Å; E44-F66 WeakPolarHBondContact O-CE2 3.39Å |
| 45 | E | 86.3 | Confident | 86.5 | Confident | 77 Ų | 77 | 60 Ų | 60 | 36% | 0.36 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -71.6 | -44.4 | 171.3 | -172 | -178 | -156.3 | 0 | 0 | 111.7 | F40 T42 A47 R48 A49 | F40-E45 HydrophobicContact CB-CB 4.22Å; F40-E45 HydrophobicContact CB-CG 4.18Å; F40-E45 HydrophobicContact CD1-CB 4.4Å; F40-E45 VanDerWaalsContact CD1-CD 3.5Å; F40-E45 HydrophobicContact CD1-CG 3.52Å; F40-E45 HydrophobicContact CE1-CG 4.18Å; F40-E45 HydrophobicContact CG-CB 4.46Å; F40-E45 HydrophobicContact CG-CG 4.04Å; T42-E45 WeakPolarHBondContact OG1-CB 3.35Å; T42-E45 PolarHBondContact OG1-N 2.68Å; E45-A47 VanDerWaalsContact C-N 3.27Å; E45-A47 PolarHBondContact O-N 3.06Å; E45-R48 PolarHBondContact O-N 3.5Å; E45-A49 WeakPolarHBondContact O-CB 3.44Å; E45-A49 PolarHBondContact O-N 3.05Å |
| 46 | A | 88.6 | Confident | 86.5 | Confident | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -58.9 | -40.1 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | V13 F21 A23 F40 T42 A43 A49 Y50 | V13-A46 HydrophobicContact CB-CB 4.34Å; V13-A46 HydrophobicContact CG1-CB 3.7Å; V13-A46 HydrophobicContact CG2-CB 3.7Å; F21-A46 HydrophobicContact CB-CB 3.98Å; A23-A46 HydrophobicContact CB-CB 4.19Å; A23-A46 VanDerWaalsContact CB-O 3.32Å; A23-A46 WeakPolarHBondContact CB-O 3.34Å; F40-A46 HydrophobicContact CB-CB 4.12Å; F40-A46 VanDerWaalsContact CD2-CA 3.49Å; F40-A46 HydrophobicContact CD2-CB 3.74Å; F40-A46 HydrophobicContact CG-CB 4.26Å; T42-A46 PolarHBondContact O-N 2.65Å; A43-A46 PolarHBondContact O-N 2.73Å; A46-A49 PolarHBondContact O-N 2.88Å; A46-Y50 PolarHBondContact O-N 3.48Å |
| 47 | A | 88.5 | Confident | 85.9 | Confident | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -69.8 | -40.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y10 V13 A43 E45 A49 Y50 D51 N65 F66 | Y10-A47 HydrophobicContact CD1-CB 4.04Å; Y10-A47 HydrophobicContact CD2-CB 3.85Å; Y10-A47 HydrophobicContact CG-CB 3.55Å; V13-A47 HydrophobicContact CG2-CB 3.87Å; A43-A47 VanDerWaalsContact O-CB 3.24Å; A43-A47 WeakPolarHBondContact O-CB 3.17Å; A43-A47 PolarHBondContact O-N 2.88Å; E45-A47 VanDerWaalsContact C-N 3.27Å; E45-A47 PolarHBondContact O-N 3.06Å; A47-A49 VanDerWaalsContact C-N 3.34Å; A47-A49 PolarHBondContact O-N 3.5Å; A47-Y50 WeakPolarHBondContact O-CB 3.28Å; A47-Y50 PolarHBondContact O-N 2.96Å; A47-D51 WeakPolarHBondContact O-CB 3.4Å; A47-D51 PolarHBondContact O-N 3.24Å; A47-N65 HydrophobicContact CB-CB 4.18Å; A47-F66 HydrophobicContact CB-CD2 4.37Å; A47-F66 HydrophobicContact CB-CE2 3.51Å; A47-F66 HydrophobicContact CB-CZ 4.16Å |
| 48 | R | 88.4 | Confident | 85.3 | Confident | 132 Ų | 132 | 59.5 Ų | 59.5 | 50% | 0.498 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -64.6 | -36 | 171.6 | -75.7 | 178.7 | -64 | 151.7 | 3.1 | 112.7 | E44 E45 D51 R52 F66 | E44-R48 WeakPolarHBondContact O-CB 3.38Å; E44-R48 VanDerWaalsContact O-CG 3.28Å; E44-R48 WeakPolarHBondContact O-CG 3.25Å; E44-R48 PolarHBondContact O-N 2.94Å; E44-R48 PolarHBondContact O-NE 3.31Å; E45-R48 PolarHBondContact O-N 3.5Å; R48-D51 PolarHBondContact O-N 3.31Å; R48-R52 WeakPolarHBondContact O-CG 3.37Å; R48-R52 PolarHBondContact O-N 3.23Å; R48-F66 HydrophobicContact CG-CD2 3.56Å; R48-F66 HydrophobicContact CG-CE2 3.69Å; R48-F66 HydrophobicContact CG-CG 4.49Å |
| 49 | A | 88.7 | Confident | 84.6 | Confident | 20 Ų | 20 | 60.2 Ų | 60.2 | 17% | 0.165 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -65.9 | -42.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | A23 F40 E45 A46 A47 A53 | A23-A49 HydrophobicContact CB-CB 4.39Å; F40-A49 HydrophobicContact CD2-CB 4.47Å; F40-A49 HydrophobicContact CE1-CB 4.28Å; F40-A49 HydrophobicContact CE2-CB 3.57Å; F40-A49 HydrophobicContact CZ-CB 3.45Å; F40-A49 VanDerWaalsContact CZ-CB 3.45Å; E45-A49 WeakPolarHBondContact O-CB 3.44Å; E45-A49 PolarHBondContact O-N 3.05Å; A46-A49 PolarHBondContact O-N 2.88Å; A47-A49 VanDerWaalsContact C-N 3.34Å; A47-A49 PolarHBondContact O-N 3.5Å; A49-A53 PolarHBondContact O-N 3.19Å |
| 50 | Y | 87 | Confident | 83.6 | Confident | 20 Ų | 20 | 60.8 Ų | 60.8 | 8% | 0.078 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -60.1 | -43.9 | 171 | 179.3 | -92.2 | 0 | 0 | 0 | 112.3 | R11 E24 I25 L37 A46 A47 R52 A53 A54 | R11-Y50 HydrophobicContact CB-CE1 4.22Å; R11-Y50 HydrophobicContact CG-CE1 4.23Å; R11-Y50 VanDerWaalsContact CZ-OH 3.3Å; R11-Y50 PolarHBondContact NE-OH 2.91Å; R11-Y50 PolarHBondContact NH2-OH 2.77Å; R11-Y50 VanDerWaalsContact O-CD1 3.26Å; R11-Y50 WeakPolarHBondContact O-CD1 3.32Å; E24-Y50 WeakPolarHBondContact O-CD2 3.42Å; E24-Y50 WeakPolarHBondContact O-CE2 3.34Å; I25-Y50 HydrophobicContact CB-CD2 4.16Å; I25-Y50 HydrophobicContact CB-CE2 3.88Å; I25-Y50 HydrophobicContact CD1-CE2 4.11Å; I25-Y50 HydrophobicContact CG1-CD2 4.48Å; I25-Y50 HydrophobicContact CG1-CE2 3.8Å; L37-Y50 HydrophobicContact CD1-CD2 4.31Å; A46-Y50 PolarHBondContact O-N 3.48Å; A47-Y50 WeakPolarHBondContact O-CB 3.28Å; A47-Y50 PolarHBondContact O-N 2.96Å; Y50-R52 PolarHBondContact O-N 3.49Å; Y50-A53 PolarHBondContact O-N 3.03Å; Y50-A54 HydrophobicContact CD1-CB 4.41Å; Y50-A54 HydrophobicContact CE1-CB 4Å; Y50-A54 WeakPolarHBondContact O-CB 3.48Å; Y50-A54 PolarHBondContact O-N 2.92Å |
| 51 | D | 87 | Confident | 82.9 | Confident | 11 Ų | 11 | 63.2 Ų | 63.2 | 6% | 0.059 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -64.7 | -41.2 | -178 | -71.6 | -5.7 | 0 | 0 | 0 | 112.1 | A47 R48 A53 A54 F55 L64 N65 F66 | A47-D51 WeakPolarHBondContact O-CB 3.4Å; A47-D51 PolarHBondContact O-N 3.24Å; R48-D51 PolarHBondContact O-N 3.31Å; D51-A53 VanDerWaalsContact C-N 3.35Å; D51-A53 PolarHBondContact O-N 2.87Å; D51-A54 PolarHBondContact O-N 3.25Å; D51-F55 WeakPolarHBondContact O-CB 3.48Å; D51-F55 PolarHBondContact O-N 2.82Å; D51-L64 HydrophobicContact CB-CB 4.17Å; D51-L64 HydrophobicContact CB-CD1 4.45Å; D51-L64 HydrophobicContact CB-CD2 4.01Å; D51-L64 HydrophobicContact CB-CG 4.43Å; D51-L64 WeakPolarHBondContact O-CD2 3.26Å; D51-N65 PolarHBondContact OD1-N 2.98Å; D51-N65 PolarHBondContact OD1-ND2 2.86Å; D51-N65 WeakPolarHBondContact OD2-CA 3.38Å; D51-N65 WeakPolarHBondContact OD2-CB 3.24Å; D51-N65 PolarHBondContact OD2-N 3.36Å; D51-F66 WeakPolarHBondContact OD2-CD2 3.46Å; D51-F66 PolarHBondContact OD2-N 3.46Å |
| 52 | R | 85.9 | Confident | 82.2 | Confident | 195 Ų | 195 | 59 Ų | 59 | 74% | 0.736 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -56.6 | -47 | 172 | -74.2 | 171 | 175.1 | -175 | -4.1 | 111.9 | R48 Y50 F55 A56 | R48-R52 WeakPolarHBondContact O-CG 3.37Å; R48-R52 PolarHBondContact O-N 3.23Å; Y50-R52 PolarHBondContact O-N 3.49Å; R52-F55 PolarHBondContact O-N 3.49Å; R52-A56 WeakPolarHBondContact O-CB 3.49Å; R52-A56 PolarHBondContact O-N 2.88Å |
| 53 | A | 86.3 | Confident | 81.7 | Confident | 18 Ų | 18 | 60.7 Ų | 60.7 | 15% | 0.149 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -66.9 | -42.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | I25 L37 A49 Y50 D51 F55 A56 M57 | I25-A53 HydrophobicContact CD1-CB 3.97Å; I25-A53 HydrophobicContact CG2-CB 4.23Å; L37-A53 HydrophobicContact CD1-CB 3.51Å; L37-A53 HydrophobicContact CD2-CB 3.59Å; L37-A53 HydrophobicContact CG-CB 4.2Å; A49-A53 PolarHBondContact O-N 3.19Å; Y50-A53 PolarHBondContact O-N 3.03Å; D51-A53 VanDerWaalsContact C-N 3.35Å; D51-A53 PolarHBondContact O-N 2.87Å; A53-F55 VanDerWaalsContact C-N 3.31Å; A53-F55 PolarHBondContact O-N 2.98Å; A53-A56 PolarHBondContact O-N 2.95Å; A53-M57 WeakPolarHBondContact O-CB 3.41Å; A53-M57 WeakPolarHBondContact O-CG 3.38Å; A53-M57 PolarHBondContact O-N 3.48Å |
| 54 | A | 83.2 | Confident | 81.5 | Confident | 4 Ų | 4 | 62.8 Ų | 62.8 | 3% | 0.033 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -63.2 | -38 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | I25 Y50 D51 M57 K58 A62 L64 | I25-A54 HydrophobicContact CD1-CB 3.94Å; Y50-A54 HydrophobicContact CD1-CB 4.41Å; Y50-A54 HydrophobicContact CE1-CB 4Å; Y50-A54 WeakPolarHBondContact O-CB 3.48Å; Y50-A54 PolarHBondContact O-N 2.92Å; D51-A54 PolarHBondContact O-N 3.25Å; A54-M57 PolarHBondContact O-N 2.83Å; A54-K58 WeakPolarHBondContact O-CB 3.5Å; A54-K58 PolarHBondContact O-N 3.08Å; A54-A62 HydrophobicContact CB-CB 4.4Å; A54-A62 VanDerWaalsContact O-CB 3.25Å; A54-A62 WeakPolarHBondContact O-CB 3.45Å; A54-L64 HydrophobicContact CB-CD2 3.91Å |
| 55 | F | 81.8 | Confident | 81.2 | Confident | 91 Ų | 91 | 60.2 Ų | 60.2 | 40% | 0.399 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -68.2 | -46.4 | 173.2 | -171.4 | -95.7 | 0 | 0 | 0 | 111.9 | D51 R52 A53 M57 K58 G59 L64 | D51-F55 WeakPolarHBondContact O-CB 3.48Å; D51-F55 PolarHBondContact O-N 2.82Å; R52-F55 PolarHBondContact O-N 3.49Å; A53-F55 VanDerWaalsContact C-N 3.31Å; A53-F55 PolarHBondContact O-N 2.98Å; F55-M57 PolarHBondContact O-N 3.41Å; F55-K58 PolarHBondContact O-N 2.81Å; F55-G59 WeakPolarHBondContact CD2-O 3.49Å; F55-G59 WeakPolarHBondContact O-CA 3.36Å; F55-G59 PolarHBondContact O-N 2.82Å; F55-L64 HydrophobicContact CB-CD2 4.39Å |
| 56 | A | 81 | Confident | 80.7 | Confident | 89 Ų | 89 | 59.9 Ų | 59.9 | 74% | 0.736 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -60 | -27.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | R52 A53 | R52-A56 WeakPolarHBondContact O-CB 3.49Å; R52-A56 PolarHBondContact O-N 2.88Å; A53-A56 PolarHBondContact O-N 2.95Å |
| 57 | M | 73.5 | Confident | 79.7 | Confident | 66 Ų | 66 | 65.3 Ų | 65.3 | 33% | 0.325 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -84.1 | -45.2 | 175.4 | -75.2 | -162.7 | 80.1 | 0 | 0 | 114.7 | I25 D27 A53 A54 F55 | I25-M57 HydrophobicContact CD1-CG 4.32Å; I25-M57 HydrophobicContact CD1-SD 3.62Å; I25-M57 HydrophobicContact CG1-SD 3.95Å; D27-M57 HydrophobicContact CB-CE 3.58Å; D27-M57 HydrophobicContact CB-SD 4.46Å; D27-M57 WeakPolarHBondContact OD2-CE 3.48Å; A53-M57 WeakPolarHBondContact O-CB 3.41Å; A53-M57 WeakPolarHBondContact O-CG 3.38Å; A53-M57 PolarHBondContact O-N 3.48Å; A54-M57 PolarHBondContact O-N 2.83Å; F55-M57 PolarHBondContact O-N 3.41Å |
| 58 | K | 71.7 | Confident | 78.3 | Confident | 117 Ų | 117 | 69.4 Ų | 69.4 | 51% | 0.509 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -119.1 | 5.4 | -164.6 | -168.5 | 167.2 | -171.3 | -57 | 0 | 113.4 | A54 F55 T61 A62 | A54-K58 WeakPolarHBondContact O-CB 3.5Å; A54-K58 PolarHBondContact O-N 3.08Å; F55-K58 PolarHBondContact O-N 2.81Å; K58-T61 VanDerWaalsContact CG-OG1 3.29Å; K58-T61 WeakPolarHBondContact CG-OG1 3.49Å; K58-T61 PolarHBondContact NZ-O 3.3Å; K58-T61 PolarHBondContact NZ-OG1 2.88Å; K58-T61 PolarHBondContact O-N 3Å; K58-T61 PolarHBondContact O-OG1 3.43Å; K58-A62 HydrophobicContact CB-CB 4.07Å |
| 59 | G | 72.2 | Confident | 76.3 | Confident | 29 Ų | 29 | 69.7 Ų | 69.7 | 30% | 0.299 | 42% | 0.419 | S | S | . | . | G | 310 helix | trans | 55.2 | -145.9 | 180 | 0 | 0 | 0 | 0 | 0 | 112.9 | F55 T61 A62 | F55-G59 WeakPolarHBondContact CD2-O 3.49Å; F55-G59 WeakPolarHBondContact O-CA 3.36Å; F55-G59 PolarHBondContact O-N 2.82Å; G59-T61 PolarHBondContact O-N 2.96Å; G59-A62 WeakPolarHBondContact O-CB 3.31Å; G59-A62 PolarHBondContact O-N 3.49Å |
| 60 | A | 69.2 | Low | 74.2 | Confident | 99 Ų | 99 | 72.6 Ų | 72.6 | 82% | 0.818 | 45% | 0.451 | S | S | * | . | G | 310 helix | trans | -60.5 | -9.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 61 | T | 72 | Confident | 71.8 | Confident | 92 Ų | 92 | 74.4 Ų | 74.4 | 56% | 0.564 | 48% | 0.475 | S | S | * | . | G | 310 helix | trans | -95.8 | 6.2 | 174.4 | 77.6 | 0 | 0 | 0 | 0 | 113.2 | K58 G59 | K58-T61 VanDerWaalsContact CG-OG1 3.29Å; K58-T61 WeakPolarHBondContact CG-OG1 3.49Å; K58-T61 PolarHBondContact NZ-O 3.3Å; K58-T61 PolarHBondContact NZ-OG1 2.88Å; K58-T61 PolarHBondContact O-N 3Å; K58-T61 PolarHBondContact O-OG1 3.43Å; G59-T61 PolarHBondContact O-N 2.96Å |
| 62 | A | 73.8 | Confident | 69.5 | Low | 17 Ų | 17 | 80 Ų | 80 | 14% | 0.14 | 52% | 0.516 | C | S | . | . | trans | -66.6 | 131.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | A54 K58 G59 L64 | A54-A62 HydrophobicContact CB-CB 4.4Å; A54-A62 VanDerWaalsContact O-CB 3.25Å; A54-A62 WeakPolarHBondContact O-CB 3.45Å; K58-A62 HydrophobicContact CB-CB 4.07Å; G59-A62 WeakPolarHBondContact O-CB 3.31Å; G59-A62 PolarHBondContact O-N 3.49Å; A62-L64 HydrophobicContact CB-CD2 3.62Å; A62-L64 HydrophobicContact CB-CG 4.35Å; A62-L64 PolarHBondContact O-N 3.25Å | ||
| 63 | V | 76.1 | Confident | 67.1 | Low | 94 Ų | 94 | 76.1 Ų | 76.1 | 57% | 0.57 | 52% | 0.518 | S | S | * | . | trans | -90.8 | 104.8 | 171.7 | 171.9 | 0 | 0 | 0 | 0 | 107.8 | R11 | R11-V63 PolarHBondContact NH1-O 2.82Å; R11-V63 PolarHBondContact NH2-O 2.84Å | ||
| 64 | L | 83.5 | Confident | 64.7 | Low | 59 Ų | 59 | 80.4 Ų | 80.4 | 31% | 0.309 | 55% | 0.554 | S | S | . | * | trans | -95.4 | 162.5 | -175 | -51.2 | -173.4 | 0 | 0 | 0 | 111.4 | D51 A54 F55 A62 | D51-L64 HydrophobicContact CB-CB 4.17Å; D51-L64 HydrophobicContact CB-CD1 4.45Å; D51-L64 HydrophobicContact CB-CD2 4.01Å; D51-L64 HydrophobicContact CB-CG 4.43Å; D51-L64 WeakPolarHBondContact O-CD2 3.26Å; A54-L64 HydrophobicContact CB-CD2 3.91Å; F55-L64 HydrophobicContact CB-CD2 4.39Å; A62-L64 HydrophobicContact CB-CD2 3.62Å; A62-L64 HydrophobicContact CB-CG 4.35Å; A62-L64 PolarHBondContact O-N 3.25Å | ||
| 65 | N | 80.3 | Confident | 62.3 | Low | 35 Ų | 35 | 83.5 Ų | 83.5 | 19% | 0.187 | 59% | 0.586 | C | S | . | * | S | Bend | trans | -77.2 | -42.5 | 171.5 | -67.1 | -77 | 0 | 0 | 0 | 111.9 | Y10 R11 A47 D51 P67 | Y10-N65 WeakPolarHBondContact CA-OD1 3.44Å; Y10-N65 HydrophobicContact CD1-CB 3.96Å; R11-N65 WeakPolarHBondContact CB-OD1 3.46Å; R11-N65 PolarHBondContact N-OD1 3.38Å; R11-N65 PolarHBondContact O-ND2 2.91Å; R11-N65 VanDerWaalsContact O-ND2 3.08Å; A47-N65 HydrophobicContact CB-CB 4.18Å; D51-N65 PolarHBondContact OD1-N 2.98Å; D51-N65 PolarHBondContact OD1-ND2 2.86Å; D51-N65 WeakPolarHBondContact OD2-CA 3.38Å; D51-N65 WeakPolarHBondContact OD2-CB 3.24Å; D51-N65 PolarHBondContact OD2-N 3.36Å; N65-P67 VanDerWaalsContact O-CD 3.3Å; N65-P67 WeakPolarHBondContact O-CD 3.28Å |
| 66 | F | 75.7 | Confident | 60 | Low | 70 Ų | 70 | 84 Ų | 84 | 31% | 0.307 | 61% | 0.607 | S | S | . | * | S | Bend | trans | -107.6 | 95.7 | 179.1 | -58.9 | -71.9 | 0 | 0 | 0 | 109.8 | Y10 E44 A47 R48 D51 A68 | Y10-F66 HydrophobicContact CD1-CZ 4.34Å; Y10-F66 AromaticContact CE1-CE1 3.91Å; Y10-F66 HydrophobicContact CE1-CE1 3.91Å; Y10-F66 AromaticContact CE1-CZ 3.71Å; Y10-F66 HydrophobicContact CE1-CZ 3.71Å; Y10-F66 HydrophobicContact CE2-CZ 4.33Å; Y10-F66 AromaticContact CZ-CZ 3.71Å; E44-F66 HydrophobicContact CB-CZ 4.05Å; E44-F66 HydrophobicContact CG-CZ 4.36Å; E44-F66 WeakPolarHBondContact O-CE2 3.39Å; A47-F66 HydrophobicContact CB-CD2 4.37Å; A47-F66 HydrophobicContact CB-CE2 3.51Å; A47-F66 HydrophobicContact CB-CZ 4.16Å; R48-F66 HydrophobicContact CG-CD2 3.56Å; R48-F66 HydrophobicContact CG-CE2 3.69Å; R48-F66 HydrophobicContact CG-CG 4.49Å; D51-F66 WeakPolarHBondContact OD2-CD2 3.46Å; D51-F66 PolarHBondContact OD2-N 3.46Å; F66-A68 PolarHBondContact O-N 2.86Å |
| 67 | P | 67 | Low | 58.1 | Low | 113 Ų | 113 | 84.5 Ų | 84.5 | 73% | 0.734 | 61% | 0.611 | S | S | * | * | trans | -59.3 | 122.8 | 162.3 | 26.9 | -32.9 | 0 | 0 | 0 | 107.9 | N65 S69 | N65-P67 VanDerWaalsContact O-CD 3.3Å; N65-P67 WeakPolarHBondContact O-CD 3.28Å; P67-S69 PolarHBondContact O-N 2.92Å | ||
| 68 | A | 59.6 | Low | 56.5 | Low | 87 Ų | 87 | 87.9 Ų | 87.9 | 72% | 0.719 | 64% | 0.638 | S | S | * | * | trans | -61.4 | 115.3 | -178.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | F66 G70 | F66-A68 PolarHBondContact O-N 2.86Å; A68-G70 PolarHBondContact O-N 3Å | ||
| 69 | S | 47.2 | Very low | 54.7 | Low | 137 Ų | 137 | 86.3 Ų | 86.3 | 96% | 0.958 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.6 | 70.1 | -179.9 | -179.8 | 0 | 0 | 0 | 0 | 110.7 | P67 | P67-S69 PolarHBondContact O-N 2.92Š|
| 70 | G | 43.7 | Very low | 53 | Low | 81 Ų | 81 | 89 Ų | 89 | 84% | 0.835 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -166.1 | -8.8 | -173.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | A68 | A68-G70 PolarHBondContact O-N 3Š|
| 71 | G | 37.3 | Very low | 51.8 | Low | 58 Ų | 58 | 95.3 Ų | 95.3 | 60% | 0.598 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -172.2 | 151.5 | 175 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||
| 72 | S | 38.2 | Very low | 50.5 | Low | 129 Ų | 129 | 97.2 Ų | 97.2 | 90% | 0.902 | 70% | 0.697 | S | S | * | * | trans | 62.2 | 46.1 | 157.2 | -54.6 | 0 | 0 | 0 | 0 | 118.3 | A74 | S72-A74 PolarHBondContact O-N 2.95Š| ||
| 73 | S | 36.5 | Very low | 49.4 | Very low | 113 Ų | 113 | 101.8 Ų | 101.8 | 79% | 0.79 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -67.9 | 120.2 | 155.5 | 58.3 | 0 | 0 | 0 | 0 | 110.9 | ||
| 74 | A | 36.2 | Very low | 47.8 | Very low | 108 Ų | 108 | 101.5 Ų | 101.5 | 89% | 0.893 | 74% | 0.744 | S | S | * | * | S | Bend | trans | 57.3 | 51.9 | 156.1 | 0 | 0 | 0 | 0 | 0 | 118.8 | S72 | S72-A74 PolarHBondContact O-N 2.95Š|
| 75 | G | 31.2 | Very low | 45.9 | Very low | 69 Ų | 69 | 102.1 Ų | 102.1 | 71% | 0.711 | 77% | 0.765 | S | S | * | * | trans | 87.4 | -167.6 | 152.5 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 76 | A | 34.3 | Very low | 44.3 | Very low | 101 Ų | 101 | 105.9 Ų | 105.9 | 84% | 0.835 | 79% | 0.794 | S | S | * | * | trans | 63.1 | 96.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 77 | A | 42 | Very low | 43 | Very low | 100 Ų | 100 | 108.2 Ų | 108.2 | 83% | 0.826 | 82% | 0.819 | S | S | * | * | trans | 66.7 | 136.3 | 147 | 0 | 0 | 0 | 0 | 0 | 121 | ||||
| 78 | P | 39.5 | Very low | 42.2 | Very low | 138 Ų | 138 | 108 Ų | 108 | 90% | 0.896 | 82% | 0.82 | S | S | * | * | trans | -92.8 | 130.6 | 172.8 | 34.9 | -31.5 | 0 | 0 | 0 | 113.2 | ||||
| 79 | G | 33.4 | Very low | 41.7 | Very low | 84 Ų | 84 | 108.4 Ų | 108.4 | 87% | 0.866 | 82% | 0.818 | S | S | * | * | trans | 162 | 114.7 | 165.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 80 | G | 37.4 | Very low | 41.8 | Very low | 86 Ų | 86 | 107.5 Ų | 107.5 | 89% | 0.887 | 81% | 0.807 | S | S | * | * | trans | 174.3 | 100.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 81 | R | 42.2 | Very low | 42 | Very low | 230 Ų | 230 | 109.9 Ų | 109.9 | 87% | 0.868 | 81% | 0.805 | S | S | * | * | trans | -97.4 | 168.6 | -175.1 | 51 | 178.4 | 72.1 | 164.8 | -0.8 | 112.3 | ||||
| 82 | T | 45.4 | Very low | 42.7 | Very low | 132 Ų | 132 | 113 Ų | 113 | 81% | 0.81 | 82% | 0.818 | S | S | * | * | trans | 83.8 | 146.1 | 173.5 | 73.7 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 83 | S | 50.1 | Low | 43.7 | Very low | 113 Ų | 113 | 111.6 Ų | 111.6 | 79% | 0.79 | 81% | 0.814 | S | S | * | * | cis | -172.6 | 144.4 | -14 | 46.6 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 84 | G | 42.8 | Very low | 44.6 | Very low | 88 Ų | 88 | 112.5 Ų | 112.5 | 91% | 0.907 | 82% | 0.817 | S | S | * | * | trans | 80.7 | 156.6 | 165 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 85 | G | 43.5 | Very low | 45.2 | Very low | 73 Ų | 73 | 112.4 Ų | 112.4 | 75% | 0.753 | 82% | 0.816 | S | S | * | * | cis | 132.6 | 146.5 | -4.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 86 | S | 46.8 | Very low | 46.1 | Very low | 114 Ų | 114 | 114.6 Ų | 114.6 | 80% | 0.797 | 82% | 0.821 | S | S | * | * | cis | -169.9 | 166.6 | -7.2 | -70.7 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 87 | S | 49.5 | Very low | 47.1 | Very low | 119 Ų | 119 | 120.7 Ų | 120.7 | 83% | 0.832 | 82% | 0.822 | S | S | * | * | trans | 67.6 | 157 | 166.3 | 69.2 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 88 | S | 49.4 | Very low | 47 | Very low | 107 Ų | 107 | 119.2 Ų | 119.2 | 75% | 0.748 | 82% | 0.817 | S | S | * | * | cis | -175.1 | 165.6 | -4.5 | 34.6 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 89 | S | 48.4 | Very low | 47.7 | Very low | 97 Ų | 97 | 123 Ų | 123 | 68% | 0.678 | 81% | 0.813 | S | S | * | * | cis | -173.1 | 179.6 | -16.1 | 57.9 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 90 | T | 50.4 | Low | 48.2 | Very low | 118 Ų | 118 | 123.8 Ų | 123.8 | 72% | 0.724 | 81% | 0.812 | S | S | * | * | trans | 64.8 | 97.5 | 150.5 | 44.5 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 91 | T | 47.9 | Very low | 48.3 | Very low | 131 Ų | 131 | 130.7 Ų | 130.7 | 80% | 0.804 | 81% | 0.811 | S | S | * | * | 35.8 | 131.1 | 127.6 | 57.9 | 0 | 0 | 0 | 0 | 123.7 | |||||
| 92 | S | 51.9 | Low | 48.7 | Very low | 124 Ų | 124 | 126 Ų | 126 | 87% | 0.867 | 81% | 0.808 | S | S | * | * | trans | -163 | 130.9 | 139.2 | 39.2 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 93 | A | 58.4 | Low | 48.5 | Very low | 98 Ų | 98 | 125.9 Ų | 125.9 | 81% | 0.81 | 81% | 0.81 | S | S | * | * | trans | 29.6 | 136.5 | 156.2 | 0 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 94 | P | 56.5 | Low | 47.8 | Very low | 132 Ų | 132 | 126.8 Ų | 126.8 | 86% | 0.857 | 81% | 0.806 | S | S | * | * | trans | -91.6 | 150.5 | 165.8 | 36.9 | -33.2 | 0 | 0 | 0 | 113.5 | ||||
| 95 | A | 48.9 | Very low | 47.8 | Very low | 106 Ų | 106 | 127.3 Ų | 127.3 | 88% | 0.876 | 80% | 0.795 | S | S | * | * | trans | -140.3 | 127.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 96 | S | 49.5 | Very low | 47.7 | Very low | 116 Ų | 116 | 133 Ų | 133 | 81% | 0.811 | 80% | 0.802 | S | S | * | * | trans | -66.2 | 135.3 | -173.6 | 44.3 | 0 | 0 | 0 | 0 | 116 | ||||
| 97 | R | 55 | Low | 47.3 | Very low | 228 Ų | 228 | 136.3 Ų | 136.3 | 86% | 0.86 | 80% | 0.802 | S | S | * | * | trans | -167.7 | 86.5 | 151.8 | -112.9 | 160.1 | 177.8 | -164.2 | -2.3 | 113.4 | R99 | R97-R99 PolarHBondContact O-NH2 3.16Š| ||
| 98 | G | 39.4 | Very low | 46.8 | Very low | 70 Ų | 70 | 136 Ų | 136 | 72% | 0.722 | 80% | 0.795 | S | S | * | * | trans | -63.8 | 154.5 | -174.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 99 | R | 54.1 | Low | 46 | Very low | 216 Ų | 216 | 138.2 Ų | 138.2 | 82% | 0.815 | 79% | 0.794 | S | S | * | * | trans | -144.8 | 143.4 | 154.7 | -118.7 | 117.9 | -63.2 | 168.2 | 7 | 105.8 | R97 | R97-R99 PolarHBondContact O-NH2 3.16Š| ||
| 100 | A | 44 | Very low | 45.6 | Very low | 101 Ų | 101 | 140 Ų | 140 | 84% | 0.835 | 80% | 0.795 | S | S | * | * | trans | -98.6 | 163.5 | -166.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 101 | R | 39.7 | Very low | 44.9 | Very low | 232 Ų | 232 | 141.6 Ų | 141.6 | 88% | 0.875 | 79% | 0.794 | S | S | * | * | trans | 70.2 | 98.4 | 152.2 | -172.7 | -178.6 | -177.7 | 151.9 | 1.6 | 117.7 | ||||
| 102 | V | 50.4 | Low | 44.5 | Very low | 130 Ų | 130 | 141.5 Ų | 141.5 | 79% | 0.788 | 80% | 0.797 | S | S | * | * | -162.1 | 128.7 | 106.9 | -92.8 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 103 | P | 42.1 | Very low | 44 | Very low | 131 Ų | 131 | 141.3 Ų | 141.3 | 85% | 0.851 | 79% | 0.786 | S | S | * | * | trans | -105.8 | 81.8 | 164.1 | 35.6 | -24.3 | 0 | 0 | 0 | 109.4 | ||||
| 104 | D | 35.7 | Very low | 42.9 | Very low | 132 Ų | 132 | 140.8 Ų | 140.8 | 71% | 0.706 | 77% | 0.769 | S | S | * | * | trans | -146.3 | 147.3 | 172 | -175.4 | -82.8 | 0 | 0 | 0 | 108.9 | ||||
| 105 | S | 42.7 | Very low | 42.4 | Very low | 98 Ų | 98 | 141.7 Ų | 141.7 | 69% | 0.685 | 77% | 0.767 | S | S | * | * | S | Bend | trans | 62.7 | 106.9 | -178 | -60.9 | 0 | 0 | 0 | 0 | 113.8 | K107 | S105-K107 PolarHBondContact O-N 2.95Š|
| 106 | E | 40.8 | Very low | 42.4 | Very low | 192 Ų | 192 | 144.8 Ų | 144.8 | 90% | 0.897 | 76% | 0.756 | S | S | * | * | trans | -62.3 | 90.9 | 176.9 | -65.5 | 173.8 | 121.6 | 0 | 0 | 111.2 | V108 | E106-V108 PolarHBondContact O-N 2.95Š| ||
| 107 | K | 38.8 | Very low | 42.2 | Very low | 184 Ų | 184 | 142.9 Ų | 142.9 | 80% | 0.8 | 74% | 0.739 | S | S | * | * | trans | -66.6 | 90.9 | 154.9 | -76.2 | -171.9 | 175.9 | -174.2 | 0 | 107.6 | S105 E109 | S105-K107 PolarHBondContact O-N 2.95Å; K107-E109 PolarHBondContact O-N 3.16Å | ||
| 108 | V | 38.5 | Very low | 41.7 | Very low | 113 Ų | 113 | 137.6 Ų | 137.6 | 69% | 0.685 | 73% | 0.728 | S | S | * | * | trans | -63.9 | 87.2 | 150.2 | -172.6 | 0 | 0 | 0 | 0 | 105.6 | E106 L110 | E106-V108 PolarHBondContact O-N 2.95Å; V108-L110 HydrophobicContact CG1-CD1 3.89Å; V108-L110 HydrophobicContact CG1-CG 4.48Å; V108-L110 PolarHBondContact O-N 2.66Å | ||
| 109 | E | 33.5 | Very low | 42.1 | Very low | 154 Ų | 154 | 141.1 Ų | 141.1 | 72% | 0.72 | 73% | 0.725 | S | S | * | * | trans | -57.3 | 102 | 149.6 | -70.9 | -174.7 | 167.2 | 0 | 0 | 104.8 | K107 E111 | K107-E109 PolarHBondContact O-N 3.16Å; E109-E111 PolarHBondContact O-N 2.71Å | ||
| 110 | L | 38.8 | Very low | 41.7 | Very low | 135 Ų | 135 | 137.7 Ų | 137.7 | 71% | 0.707 | 72% | 0.718 | S | S | * | * | trans | -62.6 | 87.7 | 145.8 | -75.5 | 88.5 | 0 | 0 | 0 | 104.7 | V108 C112 | V108-L110 HydrophobicContact CG1-CD1 3.89Å; V108-L110 HydrophobicContact CG1-CG 4.48Å; V108-L110 PolarHBondContact O-N 2.66Å; L110-C112 PolarHBondContact O-N 3.44Å | ||
| 111 | E | 37.1 | Very low | 41.8 | Very low | 151 Ų | 151 | 140.4 Ų | 140.4 | 71% | 0.706 | 72% | 0.718 | S | S | * | * | trans | -32.6 | 131.1 | 131.8 | -63 | -175.2 | 168.6 | 0 | 0 | 106.6 | E109 L113 | E109-E111 PolarHBondContact O-N 2.71Å; E111-L113 PolarHBondContact O-N 2.67Å | ||
| 112 | C | 38 | Very low | 42.1 | Very low | 128 Ų | 128 | 136.5 Ų | 136.5 | 87% | 0.865 | 71% | 0.714 | S | S | * | * | trans | -66.3 | 82.8 | -179.1 | -62.2 | 0 | 0 | 0 | 0 | 108.4 | L110 D114 | L110-C112 PolarHBondContact O-N 3.44Å; C112-D114 PolarHBondContact O-N 3.23Å | ||
| 113 | L | 41.5 | Very low | 42.1 | Very low | 121 Ų | 121 | 133.9 Ų | 133.9 | 63% | 0.634 | 71% | 0.706 | S | S | * | * | trans | -53.8 | 115.5 | -178.9 | -71.7 | 177.9 | 0 | 0 | 0 | 106.3 | E111 D115 | E111-L113 PolarHBondContact O-N 2.67Å; L113-D115 PolarHBondContact O-N 3.5Å | ||
| 114 | D | 37 | Very low | 42.4 | Very low | 86 Ų | 86 | 135.8 Ų | 135.8 | 46% | 0.46 | 70% | 0.704 | S | S | . | * | trans | -37 | 136.5 | -170.3 | -91.6 | -110.4 | 0 | 0 | 0 | 111.6 | C112 R116 V117 | C112-D114 PolarHBondContact O-N 3.23Å; D114-R116 HydrophobicContact CB-CB 4.15Å; D114-R116 HydrophobicContact CB-CG 4.28Å; D114-R116 PolarHBondContact O-N 3.22Å; D114-R116 IonicContact OD1-CZ 3.57Å; D114-R116 IonicContact OD1-NE 3.91Å; D114-R116 IonicContact OD1-NH1 2.65Å; D114-R116 PolarHBondContact OD1-NH1 3.19Å; D114-V117 PolarHBondContact O-N 3.39Å | ||
| 115 | D | 45.9 | Very low | 43.1 | Very low | 152 Ų | 152 | 136 Ų | 136 | 81% | 0.813 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.5 | -11.3 | -179.9 | -53 | -66.6 | 0 | 0 | 0 | 113.5 | L113 | L113-D115 PolarHBondContact O-N 3.5Š|
| 116 | R | 47.3 | Very low | 43.4 | Very low | 171 Ų | 171 | 141.3 Ų | 141.3 | 65% | 0.645 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.6 | -36.8 | 173.2 | -59.8 | 167.2 | 170.2 | 139.6 | -4.9 | 114.7 | D114 L118 E119 E120 | D114-R116 HydrophobicContact CB-CB 4.15Å; D114-R116 HydrophobicContact CB-CG 4.28Å; D114-R116 PolarHBondContact O-N 3.22Å; D114-R116 IonicContact OD1-CZ 3.57Å; D114-R116 IonicContact OD1-NE 3.91Å; D114-R116 IonicContact OD1-NH1 2.65Å; D114-R116 PolarHBondContact OD1-NH1 3.19Å; R116-L118 PolarHBondContact O-N 2.76Å; R116-E119 WeakPolarHBondContact O-CB 3.42Å; R116-E119 PolarHBondContact O-N 3.23Å; R116-E120 PolarHBondContact O-N 2.84Å |
| 117 | V | 46.1 | Very low | 43.8 | Very low | 75 Ų | 75 | 141.1 Ų | 141.1 | 46% | 0.455 | 71% | 0.708 | S | S | . | * | H | α-helix | trans | -68 | -25 | -177.1 | -175.4 | 0 | 0 | 0 | 0 | 110.8 | D114 E119 L121 | D114-V117 PolarHBondContact O-N 3.39Å; V117-E119 VanDerWaalsContact C-N 3.29Å; V117-L121 PolarHBondContact O-N 3.06Å |
| 118 | L | 44.1 | Very low | 44.1 | Very low | 118 Ų | 118 | 138 Ų | 138 | 62% | 0.618 | 70% | 0.7 | S | S | * | * | H | α-helix | trans | -70.8 | -23.4 | 172.5 | -142.8 | 76.8 | 0 | 0 | 0 | 113 | R116 | R116-L118 PolarHBondContact O-N 2.76Å |
| 119 | E | 47.5 | Very low | 44.4 | Very low | 144 Ų | 144 | 140.6 Ų | 140.6 | 67% | 0.673 | 70% | 0.702 | S | S | * | * | H | α-helix | trans | -83.4 | -37.4 | 176.9 | -56.9 | -171.4 | 123.1 | 0 | 0 | 111.7 | R116 V117 L122 A123 | R116-E119 WeakPolarHBondContact O-CB 3.42Å; R116-E119 PolarHBondContact O-N 3.23Å; V117-E119 VanDerWaalsContact C-N 3.29Å; E119-L122 WeakPolarHBondContact O-CB 3.3Å; E119-L122 PolarHBondContact O-N 2.66Å; E119-L122 VanDerWaalsContact O-N 3.15Å; E119-A123 PolarHBondContact O-N 2.84Å |
| 120 | E | 46.9 | Very low | 44.7 | Very low | 143 Ų | 143 | 144 Ų | 144 | 67% | 0.668 | 73% | 0.725 | S | S | * | * | H | α-helix | trans | -67 | -41.9 | 179.9 | -165.8 | 164.3 | -155.7 | 0 | 0 | 111.7 | R116 L122 A123 | R116-E120 PolarHBondContact O-N 2.84Å; E120-L122 PolarHBondContact O-N 2.72Å; E120-L122 VanDerWaalsContact O-N 3.13Å; E120-A123 WeakPolarHBondContact O-CB 3.03Å; E120-A123 PolarHBondContact O-N 3.03Å |
| 121 | L | 45.3 | Very low | 45 | Very low | 159 Ų | 159 | 144.5 Ų | 144.5 | 83% | 0.832 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.8 | -5.9 | 174 | -131.7 | 79.1 | 0 | 0 | 0 | 114.2 | V117 | V117-L121 PolarHBondContact O-N 3.06Š|
| 122 | L | 46.1 | Very low | 45.4 | Very low | 149 Ų | 149 | 144.1 Ų | 144.1 | 78% | 0.78 | 73% | 0.727 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.9 | -4 | 172 | -97.9 | 165.6 | 0 | 0 | 0 | 113 | E119 E120 | E119-L122 WeakPolarHBondContact O-CB 3.3Å; E119-L122 PolarHBondContact O-N 2.66Å; E119-L122 VanDerWaalsContact O-N 3.15Å; E120-L122 PolarHBondContact O-N 2.72Å; E120-L122 VanDerWaalsContact O-N 3.13Å |
| 123 | A | 49.8 | Very low | 45.8 | Very low | 76 Ų | 76 | 145 Ų | 145 | 63% | 0.628 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.8 | -23 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | E119 E120 | E119-A123 PolarHBondContact O-N 2.84Å; E120-A123 WeakPolarHBondContact O-CB 3.03Å; E120-A123 PolarHBondContact O-N 3.03Å |
| 124 | E | 50 | Low | 46.1 | Very low | 171 Ų | 171 | 146.4 Ų | 146.4 | 80% | 0.799 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -107.6 | 32.3 | -164.7 | -62.4 | -148.4 | 137.2 | 0 | 0 | 116.4 | ||
| 125 | D | 49 | Very low | 46.7 | Very low | 137 Ų | 137 | 150.2 Ų | 150.2 | 73% | 0.733 | 74% | 0.741 | S | S | * | * | trans | -127 | 72.4 | 167.4 | -136 | -27.4 | 0 | 0 | 0 | 112.8 | ||||
| 126 | K | 50.3 | Low | 46.7 | Very low | 209 Ų | 209 | 150.1 Ų | 150.1 | 91% | 0.909 | 74% | 0.736 | S | S | * | * | trans | -112.9 | 32.8 | 169.9 | -139.9 | 175.5 | -171.6 | 177.4 | 0 | 113.1 | ||||
| 127 | Y | 48.8 | Very low | 46.7 | Very low | 187 Ų | 187 | 148.6 Ų | 148.6 | 73% | 0.733 | 74% | 0.743 | S | S | * | * | trans | -64 | 147.3 | 150.4 | -68.7 | -81.4 | 0 | 0 | 0 | 108.4 | ||||
| 128 | N | 44.7 | Very low | 46.7 | Very low | 118 Ų | 118 | 154.2 Ų | 154.2 | 63% | 0.631 | 77% | 0.765 | S | S | * | * | cis | -157.8 | 169.1 | 11.4 | -146.5 | -25.2 | 0 | 0 | 0 | 112.2 | ||||
| 129 | K | 45.1 | Very low | 46.9 | Very low | 168 Ų | 168 | 157.3 Ų | 157.3 | 73% | 0.73 | 78% | 0.777 | S | S | * | * | trans | 64.7 | 111.2 | 150.3 | -112.9 | 75.7 | 174.1 | -174.9 | 0 | 120.6 | ||||
| 130 | N | 39.5 | Very low | 46.9 | Very low | 226 Ų | 226 | 158.5 Ų | 158.5 | 100% | 1.209 | 79% | 0.787 | S | S | * | * | trans | 76.8 | 0 | 130.9 | -140 | 121.2 | 0 | 0 | 0 | 120.1 |
Retrieved 130 of 130 residues in 172.5 ms
(Link to these results)