| 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 | 38.2 | Very low | 61.9 | Low | 220 Ų | 220 | 129.7 Ų | 129.7 | 100% | 1.084 | 65% | 0.646 | S | S | * | * | 0 | 107.3 | 0 | -68.6 | 167.8 | -176 | 0 | 0 | 106.6 | F3 | M1-F3 PolarHBondContact O-N 2.89Š| |||
| 2 | Q | 47.5 | Very low | 63.6 | Low | 184 Ų | 184 | 124.8 Ų | 124.8 | 86% | 0.86 | 64% | 0.641 | S | S | * | * | trans | -79.8 | 109.1 | 176.3 | -164.2 | 75.4 | 16.2 | 0 | 0 | 106.9 | R4 | Q2-R4 PolarHBondContact O-N 3.01Š| ||
| 3 | F | 52.7 | Low | 65 | Low | 182 Ų | 182 | 123.6 Ų | 123.6 | 80% | 0.798 | 65% | 0.65 | S | S | * | * | trans | -68 | 99.7 | 169.2 | -66.8 | -82.8 | 0 | 0 | 0 | 107.3 | M1 T5 | M1-F3 PolarHBondContact O-N 2.89Å; F3-T5 VanDerWaalsContact C-N 3.35Å; F3-T5 PolarHBondContact O-N 3.3Å; F3-T5 VanDerWaalsContact O-N 3.11Å | ||
| 4 | R | 60 | Low | 66.6 | Low | 221 Ų | 221 | 124.1 Ų | 124.1 | 83% | 0.834 | 65% | 0.653 | S | S | * | * | trans | -70.2 | 100.4 | 161.6 | -75.2 | -167.6 | 172.9 | -144 | -0.4 | 106 | Q2 F6 | Q2-R4 PolarHBondContact O-N 3.01Å; R4-F6 PolarHBondContact O-N 3.14Å; R4-F6 VanDerWaalsContact O-N 3.17Å | ||
| 5 | T | 59.8 | Low | 68 | Low | 120 Ų | 120 | 117.3 Ų | 117.3 | 74% | 0.736 | 62% | 0.62 | S | S | * | * | trans | -57.1 | 116 | 164.8 | 33.2 | 0 | 0 | 0 | 0 | 107.9 | F3 V7 | F3-T5 VanDerWaalsContact C-N 3.35Å; F3-T5 PolarHBondContact O-N 3.3Å; F3-T5 VanDerWaalsContact O-N 3.11Å; T5-V7 PolarHBondContact O-N 3.49Å; T5-V7 VanDerWaalsContact O-N 3.11Å | ||
| 6 | F | 58.1 | Low | 69.6 | Low | 202 Ų | 202 | 111 Ų | 111 | 89% | 0.886 | 59% | 0.588 | S | S | * | * | trans | -70.8 | 100.4 | 167.1 | -74.8 | -89.1 | 0 | 0 | 0 | 106.8 | R4 A8 | R4-F6 PolarHBondContact O-N 3.14Å; R4-F6 VanDerWaalsContact O-N 3.17Å; F6-A8 PolarHBondContact O-N 3.38Å | ||
| 7 | V | 61.8 | Low | 70.9 | Confident | 98 Ų | 98 | 112.4 Ų | 112.4 | 59% | 0.594 | 59% | 0.59 | S | S | * | * | trans | -70.1 | 109.7 | 166.6 | 178 | 0 | 0 | 0 | 0 | 105.5 | T5 D9 | T5-V7 PolarHBondContact O-N 3.49Å; T5-V7 VanDerWaalsContact O-N 3.11Å; V7-D9 PolarHBondContact O-N 3.08Å | ||
| 8 | A | 69.1 | Low | 72.1 | Confident | 64 Ų | 64 | 110.2 Ų | 110.2 | 53% | 0.529 | 58% | 0.576 | S | S | . | * | trans | -65 | 131.5 | 172.6 | 0 | 0 | 0 | 0 | 0 | 107.7 | F6 P10 | F6-A8 PolarHBondContact O-N 3.38Å; A8-P10 WeakPolarHBondContact O-CD 3.43Å | ||
| 9 | D | 74.8 | Confident | 73.1 | Confident | 92 Ų | 92 | 105.3 Ų | 105.3 | 49% | 0.492 | 55% | 0.554 | S | S | . | * | trans | -69.9 | 112.8 | 173.9 | 178.5 | 4.9 | 0 | 0 | 0 | 108.4 | V7 C11 A12 | V7-D9 PolarHBondContact O-N 3.08Å; D9-C11 PolarHBondContact O-N 2.88Å; D9-C11 VanDerWaalsContact O-N 3.15Å; D9-C11 WeakPolarHBondContact OD1-CB 2.99Å; D9-C11 PolarHBondContact OD1-N 2.73Å; D9-A12 HydrophobicContact CB-CB 4.29Å; D9-A12 VanDerWaalsContact O-CB 3.24Å; D9-A12 WeakPolarHBondContact O-CB 3.34Å; D9-A12 PolarHBondContact O-N 2.9Å | ||
| 10 | P | 75.5 | Confident | 74 | Confident | 28 Ų | 28 | 105.7 Ų | 105.7 | 18% | 0.182 | 56% | 0.557 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -68.9 | -13 | -177.4 | 33 | -38.4 | 0 | 0 | 0 | 112.2 | A8 Y32 | A8-P10 WeakPolarHBondContact O-CD 3.43Å; P10-Y32 HydrophobicContact CB-CD1 4.28Å |
| 11 | C | 83.6 | Confident | 74.7 | Confident | 16 Ų | 16 | 102.4 Ų | 102.4 | 11% | 0.108 | 54% | 0.543 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | -9.4 | 172.6 | -69.4 | 0 | 0 | 0 | 0 | 114.1 | D9 S13 N14 C21 S22 | D9-C11 PolarHBondContact O-N 2.88Å; D9-C11 VanDerWaalsContact O-N 3.15Å; D9-C11 WeakPolarHBondContact OD1-CB 2.99Å; D9-C11 PolarHBondContact OD1-N 2.73Å; C11-S13 PolarHBondContact O-N 3.33Å; C11-S13 VanDerWaalsContact O-N 3.16Å; C11-N14 PolarHBondContact O-N 3.48Å; C11-C21 WeakPolarHBondContact CA-SG 3.38Å; C11-C21 HydrophobicContact CB-CB 3.7Å; C11-C21 WeakPolarHBondContact CB-SG 3.25Å; C11-C21 WeakPolarHBondContact SG-CB 3.36Å; C11-C21 CovalentContact SG-SG 2.04Å; C11-C21 PolarHBondContact SG-SG 3.15Å; C11-S22 VanDerWaalsContact SG-C 3.59Å; C11-S22 PolarHBondContact SG-N 3.4Å |
| 12 | A | 82 | Confident | 76.8 | Confident | 71 Ų | 71 | 94.8 Ų | 94.8 | 59% | 0.587 | 51% | 0.511 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | -27.4 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | D9 N14 | D9-A12 HydrophobicContact CB-CB 4.29Å; D9-A12 VanDerWaalsContact O-CB 3.24Å; D9-A12 WeakPolarHBondContact O-CB 3.34Å; D9-A12 PolarHBondContact O-N 2.9Å; A12-N14 VanDerWaalsContact C-N 3.28Å; A12-N14 PolarHBondContact O-N 2.62Å |
| 13 | S | 82.6 | Confident | 78.3 | Confident | 109 Ų | 109 | 89.6 Ų | 89.6 | 76% | 0.762 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.1 | 3.3 | 176.3 | -58.9 | 0 | 0 | 0 | 0 | 114.1 | C11 | C11-S13 PolarHBondContact O-N 3.33Å; C11-S13 VanDerWaalsContact O-N 3.16Å |
| 14 | N | 87.1 | Confident | 78.7 | Confident | 130 Ų | 130 | 83 Ų | 83 | 70% | 0.695 | 47% | 0.472 | S | S | * | . | trans | 45.2 | 61.1 | -175.1 | -65.2 | -61.3 | 0 | 0 | 0 | 113.2 | C11 A12 C16 | C11-N14 PolarHBondContact O-N 3.48Å; A12-N14 VanDerWaalsContact C-N 3.28Å; A12-N14 PolarHBondContact O-N 2.62Å; N14-C16 PolarHBondContact O-N 3.37Å | ||
| 15 | P | 87.6 | Confident | 78.5 | Confident | 23 Ų | 23 | 78.6 Ų | 78.6 | 15% | 0.149 | 47% | 0.474 | C | S | . | . | trans | -69.6 | -16.1 | -176 | 29.5 | -36.1 | 0 | 0 | 0 | 113.8 | Y32 N44 | P15-Y32 HydrophobicContact CB-CD2 4.07Å; P15-Y32 HydrophobicContact CB-CE1 4.16Å; P15-Y32 HydrophobicContact CB-CE2 3.5Å; P15-Y32 HydrophobicContact CG-CD1 4.15Å; P15-Y32 HydrophobicContact CG-CD2 3.42Å; P15-Y32 VanDerWaalsContact CG-CD2 3.42Å; P15-Y32 HydrophobicContact CG-CE1 4.14Å; P15-Y32 HydrophobicContact CG-CE2 3.42Å; P15-Y32 VanDerWaalsContact CG-CE2 3.42Å; P15-Y32 HydrophobicContact CG-CG 3.81Å; P15-N44 WeakPolarHBondContact O-CB 3.05Å; P15-N44 PolarHBondContact O-ND2 3.03Å | ||
| 16 | C | 92.9 | Very high | 77.9 | Confident | 16 Ų | 16 | 75.9 Ų | 75.9 | 11% | 0.108 | 46% | 0.46 | C | S | . | . | trans | -89.9 | 123.3 | -179.5 | -46.1 | 0 | 0 | 0 | 0 | 110.9 | N14 C21 C34 | N14-C16 PolarHBondContact O-N 3.37Å; C16-C21 VanDerWaalsContact SG-CA 3.53Å; C16-C21 WeakPolarHBondContact SG-CB 3.37Å; C16-C34 WeakPolarHBondContact CA-SG 3.25Å; C16-C34 HydrophobicContact CB-CB 3.79Å; C16-C34 WeakPolarHBondContact CB-SG 3.45Å; C16-C34 WeakPolarHBondContact SG-CA 3.23Å; C16-C34 WeakPolarHBondContact SG-CB 3Å; C16-C34 CovalentContact SG-SG 2.02Å; C16-C34 PolarHBondContact SG-SG 3.01Å | ||
| 17 | H | 92.8 | Very high | 77.3 | Confident | 134 Ų | 134 | 72.5 Ų | 72.5 | 62% | 0.62 | 46% | 0.462 | S | S | * | . | S | Bend | trans | -78.8 | -51.5 | -179.6 | -68.5 | -78 | 0 | 0 | 0 | 112.6 | N44 | H17-N44 PolarHBondContact N-O 3.28Š|
| 18 | H | 91.6 | Very high | 76.6 | Confident | 74 Ų | 74 | 71.6 Ų | 71.6 | 34% | 0.343 | 46% | 0.46 | S | S | . | . | S | Bend | trans | -124.3 | 61.7 | -178.3 | -55.4 | 99 | 0 | 0 | 0 | 111.1 | N37 Y40 C45 | H18-N37 PolarHBondContact O-N 3.38Å; H18-Y40 HydrophobicContact CB-CD1 3.75Å; H18-Y40 HydrophobicContact CB-CD2 3.78Å; H18-Y40 HydrophobicContact CB-CE1 4.12Å; H18-Y40 HydrophobicContact CB-CE2 4.15Å; H18-Y40 HydrophobicContact CB-CG 3.56Å; H18-Y40 AromaticContact CD2-CE1 3.84Å; H18-Y40 AromaticContact CD2-CZ 3.76Å; H18-Y40 AromaticContact CE1-CE1 3.58Å; H18-Y40 AromaticContact CG-CD1 3.59Å; H18-Y40 AromaticContact CG-CE1 3.53Å; H18-Y40 AromaticContact CG-CG 3.93Å; H18-Y40 AromaticContact CG-CZ 3.81Å; H18-Y40 AromaticContact ND1-CD1 3.43Å; H18-Y40 WeakPolarHBondContact ND1-CD1 3.42Å; H18-Y40 AromaticContact ND1-CE1 3.37Å; H18-Y40 WeakPolarHBondContact ND1-CE1 3.34Å; H18-Y40 AromaticContact NE2-CE1 3.88Å; H18-C45 HydrophobicContact CB-CB 4.22Å; H18-C45 PolarHBondContact ND1-O 2.91Å; H18-C45 WeakPolarHBondContact O-CB 3.46Å |
| 19 | G | 91.1 | Very high | 75.7 | Confident | 16 Ų | 16 | 72.4 Ų | 72.4 | 17% | 0.165 | 46% | 0.462 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 178.3 | -178.8 | -178 | 0 | 0 | 0 | 0 | 0 | 113.7 | I35 | G19-I35 CarbonylContact C-O 3.6Å; G19-I35 WeakPolarHBondContact CA-O 3.35Å |
| 20 | N | 90.9 | Very high | 75 | Confident | 113 Ų | 113 | 73.4 Ų | 73.4 | 60% | 0.604 | 47% | 0.467 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 133.9 | 177.2 | -72.6 | -23.3 | 0 | 0 | 0 | 110.8 | I35 | N20-I35 PolarHBondContact N-O 3.47Å; N20-I35 PolarHBondContact O-N 2.77Å |
| 21 | C | 88.5 | Confident | 74.7 | Confident | 38 Ų | 38 | 73.7 Ų | 73.7 | 26% | 0.257 | 47% | 0.469 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 134.5 | 173.7 | -168.4 | 0 | 0 | 0 | 0 | 110.9 | C11 C16 | C11-C21 WeakPolarHBondContact CA-SG 3.38Å; C11-C21 HydrophobicContact CB-CB 3.7Å; C11-C21 WeakPolarHBondContact CB-SG 3.25Å; C11-C21 WeakPolarHBondContact SG-CB 3.36Å; C11-C21 CovalentContact SG-SG 2.04Å; C11-C21 PolarHBondContact SG-SG 3.15Å; C16-C21 VanDerWaalsContact SG-CA 3.53Å; C16-C21 WeakPolarHBondContact SG-CB 3.37Å |
| 22 | S | 83.9 | Confident | 74.5 | Confident | 59 Ų | 59 | 76.5 Ų | 76.5 | 41% | 0.413 | 48% | 0.478 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 133.1 | 172.3 | -165.6 | 0 | 0 | 0 | 0 | 109.8 | C11 S24 Y32 L33 | C11-S22 VanDerWaalsContact SG-C 3.59Å; C11-S22 PolarHBondContact SG-N 3.4Å; S22-S24 PolarHBondContact O-N 3.27Å; S22-Y32 CarbonylContact O-C 3.44Å; S22-L33 PolarHBondContact N-O 3.36Å; S22-L33 PolarHBondContact O-N 2.87Å |
| 23 | S | 77.4 | Confident | 74.7 | Confident | 75 Ų | 75 | 78.1 Ų | 78.1 | 52% | 0.524 | 48% | 0.476 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 122.1 | 174.9 | 49.2 | 0 | 0 | 0 | 0 | 109.6 | ||
| 24 | S | 62.9 | Low | 75 | Confident | 45 Ų | 45 | 73.6 Ų | 73.6 | 32% | 0.315 | 45% | 0.445 | S | S | . | . | trans | -84 | 122.7 | 177.4 | 178.2 | 0 | 0 | 0 | 0 | 109.2 | S22 S26 S31 | S22-S24 PolarHBondContact O-N 3.27Å; S24-S26 PolarHBondContact O-N 3.04Å; S24-S26 PolarHBondContact OG-N 2.9Å; S24-S26 PolarHBondContact OG-OG 2.98Å; S24-S31 PolarHBondContact N-O 3.23Å; S24-S31 PolarHBondContact O-OG 2.84Å; S24-S31 VanDerWaalsContact O-OG 3.07Å | ||
| 25 | S | 54.2 | Low | 75.1 | Confident | 127 Ų | 127 | 72.2 Ų | 72.2 | 89% | 0.888 | 44% | 0.437 | S | S | * | . | trans | -82.9 | 15.9 | 177.6 | 57.3 | 0 | 0 | 0 | 0 | 113.8 | S27 | S25-S27 PolarHBondContact O-N 3.2Å; S25-S27 VanDerWaalsContact O-N 3.08Å | ||
| 26 | S | 47.5 | Very low | 75.4 | Confident | 63 Ų | 63 | 73.1 Ų | 73.1 | 44% | 0.441 | 44% | 0.443 | S | S | . | . | S | Bend | trans | -79.1 | 88.9 | 178.9 | 58.3 | 0 | 0 | 0 | 0 | 111.8 | S24 S28 | S24-S26 PolarHBondContact O-N 3.04Å; S24-S26 PolarHBondContact OG-N 2.9Å; S24-S26 PolarHBondContact OG-OG 2.98Å; S26-S28 PolarHBondContact O-N 3.43Å |
| 27 | S | 44.8 | Very low | 75.3 | Confident | 132 Ų | 132 | 76.6 Ų | 76.6 | 92% | 0.923 | 46% | 0.46 | S | S | * | . | S | Bend | trans | 59.4 | -11.3 | 155.2 | -39 | 0 | 0 | 0 | 0 | 119.5 | S25 | S25-S27 PolarHBondContact O-N 3.2Å; S25-S27 VanDerWaalsContact O-N 3.08Å |
| 28 | S | 48.2 | Very low | 75.2 | Confident | 78 Ų | 78 | 78.1 Ų | 78.1 | 55% | 0.545 | 47% | 0.473 | S | S | . | . | S | Bend | trans | -125.9 | 116.3 | 176.6 | -41.2 | 0 | 0 | 0 | 0 | 106.3 | S26 D30 S31 | S26-S28 PolarHBondContact O-N 3.43Å; S28-D30 PolarHBondContact O-N 2.96Å; S28-S31 PolarHBondContact O-N 2.85Å; S28-S31 PolarHBondContact O-OG 3.19Å |
| 29 | S | 50.9 | Low | 75 | Confident | 82 Ų | 82 | 76.2 Ų | 76.2 | 57% | 0.573 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | 9.9 | -172.3 | 29.8 | 0 | 0 | 0 | 0 | 116.2 | ||
| 30 | D | 59.3 | Low | 75 | Confident | 112 Ų | 112 | 79.3 Ų | 79.3 | 60% | 0.599 | 48% | 0.48 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -133.8 | 11.6 | -173.9 | -61.2 | -48.3 | 0 | 0 | 0 | 114.2 | S28 | S28-D30 PolarHBondContact O-N 2.96Š|
| 31 | S | 69.4 | Low | 74.8 | Confident | 34 Ų | 34 | 78.1 Ų | 78.1 | 24% | 0.238 | 47% | 0.471 | C | S | . | . | trans | -89 | 129.5 | -178.6 | 58 | 0 | 0 | 0 | 0 | 113.6 | S24 S28 | S24-S31 PolarHBondContact N-O 3.23Å; S24-S31 PolarHBondContact O-OG 2.84Å; S24-S31 VanDerWaalsContact O-OG 3.07Å; S28-S31 PolarHBondContact O-N 2.85Å; S28-S31 PolarHBondContact O-OG 3.19Å | ||
| 32 | Y | 79.8 | Confident | 74.7 | Confident | 76 Ų | 76 | 77.7 Ų | 77.7 | 30% | 0.298 | 47% | 0.474 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 160 | 169.4 | 68.6 | -83.8 | 0 | 0 | 0 | 111.7 | P10 P15 S22 N44 | P10-Y32 HydrophobicContact CB-CD1 4.28Å; P15-Y32 HydrophobicContact CB-CD2 4.07Å; P15-Y32 HydrophobicContact CB-CE1 4.16Å; P15-Y32 HydrophobicContact CB-CE2 3.5Å; P15-Y32 HydrophobicContact CG-CD1 4.15Å; P15-Y32 HydrophobicContact CG-CD2 3.42Å; P15-Y32 VanDerWaalsContact CG-CD2 3.42Å; P15-Y32 HydrophobicContact CG-CE1 4.14Å; P15-Y32 HydrophobicContact CG-CE2 3.42Å; P15-Y32 VanDerWaalsContact CG-CE2 3.42Å; P15-Y32 HydrophobicContact CG-CG 3.81Å; S22-Y32 CarbonylContact O-C 3.44Å; Y32-N44 PolarHBondContact OH-ND2 3.05Å |
| 33 | L | 84.4 | Confident | 74.9 | Confident | 104 Ų | 104 | 81.1 Ų | 81.1 | 55% | 0.545 | 49% | 0.487 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 133.3 | 174.2 | 179.1 | 68.2 | 0 | 0 | 0 | 109.6 | S22 | S22-L33 PolarHBondContact N-O 3.36Å; S22-L33 PolarHBondContact O-N 2.87Å |
| 34 | C | 89.4 | Confident | 75.5 | Confident | 15 Ų | 15 | 79 Ų | 79 | 10% | 0.101 | 47% | 0.469 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 128.2 | 172.4 | -65.2 | 0 | 0 | 0 | 0 | 111.3 | C16 L43 | C16-C34 WeakPolarHBondContact CA-SG 3.25Å; C16-C34 HydrophobicContact CB-CB 3.79Å; C16-C34 WeakPolarHBondContact CB-SG 3.45Å; C16-C34 WeakPolarHBondContact SG-CA 3.23Å; C16-C34 WeakPolarHBondContact SG-CB 3Å; C16-C34 CovalentContact SG-SG 2.02Å; C16-C34 PolarHBondContact SG-SG 3.01Å; C34-L43 WeakPolarHBondContact CB-O 3.03Å; C34-L43 PolarHBondContact SG-O 3.41Å |
| 35 | I | 90.3 | Very high | 76.9 | Confident | 101 Ų | 101 | 76.9 Ų | 76.9 | 52% | 0.518 | 45% | 0.454 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 104.3 | 170.4 | -57 | 172 | 0 | 0 | 0 | 107.1 | G19 N20 | G19-I35 CarbonylContact C-O 3.6Å; G19-I35 WeakPolarHBondContact CA-O 3.35Å; N20-I35 PolarHBondContact N-O 3.47Å; N20-I35 PolarHBondContact O-N 2.77Å |
| 36 | C | 92.9 | Very high | 78.8 | Confident | 41 Ų | 41 | 75.1 Ų | 75.1 | 28% | 0.277 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 144.5 | -174.7 | -53.9 | 0 | 0 | 0 | 0 | 113.1 | Y40 C45 | C36-Y40 VanDerWaalsContact CB-O 3.25Å; C36-Y40 WeakPolarHBondContact CB-O 3.02Å; C36-C45 WeakPolarHBondContact CA-SG 3.4Å; C36-C45 HydrophobicContact CB-CB 3.69Å; C36-C45 WeakPolarHBondContact CB-SG 3.45Å; C36-C45 PolarHBondContact N-SG 3.18Å; C36-C45 WeakPolarHBondContact SG-CA 3.33Å; C36-C45 WeakPolarHBondContact SG-CB 3.22Å; C36-C45 CovalentContact SG-SG 2.03Å; C36-C45 PolarHBondContact SG-SG 2.97Å |
| 37 | N | 91.8 | Very high | 80.8 | Confident | 89 Ų | 89 | 76.8 Ų | 76.8 | 48% | 0.476 | 43% | 0.433 | S | S | . | . | P | Polyproline II helix | trans | -70.3 | 158.9 | 171.6 | -66.3 | -23.9 | 0 | 0 | 0 | 110.7 | H18 G39 Y40 | H18-N37 PolarHBondContact O-N 3.38Å; N37-G39 PolarHBondContact O-N 2.81Å; N37-Y40 PolarHBondContact O-N 3.34Å |
| 38 | D | 89.9 | Confident | 82.8 | Confident | 167 Ų | 167 | 74.8 Ų | 74.8 | 89% | 0.893 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.1 | 130.1 | 177.3 | -69.5 | -37.1 | 0 | 0 | 0 | 111.4 | ||
| 39 | G | 88.3 | Confident | 84.5 | Confident | 33 Ų | 33 | 74.7 Ų | 74.7 | 34% | 0.34 | 41% | 0.41 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 85.7 | 9.5 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | N37 P48 L49 | N37-G39 PolarHBondContact O-N 2.81Å; G39-P48 CarbonylContact O-C 3.43Å; G39-P48 WeakPolarHBondContact O-CA 3.37Å; G39-L49 PolarHBondContact O-N 3.34Å |
| 40 | Y | 90.7 | Very high | 85.8 | Confident | 82 Ų | 82 | 75.9 Ų | 75.9 | 32% | 0.322 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 146.9 | 174 | -66 | -91.3 | 0 | 0 | 0 | 112.6 | H18 C36 N37 Q47 P48 | H18-Y40 HydrophobicContact CB-CD1 3.75Å; H18-Y40 HydrophobicContact CB-CD2 3.78Å; H18-Y40 HydrophobicContact CB-CE1 4.12Å; H18-Y40 HydrophobicContact CB-CE2 4.15Å; H18-Y40 HydrophobicContact CB-CG 3.56Å; H18-Y40 AromaticContact CD2-CE1 3.84Å; H18-Y40 AromaticContact CD2-CZ 3.76Å; H18-Y40 AromaticContact CE1-CE1 3.58Å; H18-Y40 AromaticContact CG-CD1 3.59Å; H18-Y40 AromaticContact CG-CE1 3.53Å; H18-Y40 AromaticContact CG-CG 3.93Å; H18-Y40 AromaticContact CG-CZ 3.81Å; H18-Y40 AromaticContact ND1-CD1 3.43Å; H18-Y40 WeakPolarHBondContact ND1-CD1 3.42Å; H18-Y40 AromaticContact ND1-CE1 3.37Å; H18-Y40 WeakPolarHBondContact ND1-CE1 3.34Å; H18-Y40 AromaticContact NE2-CE1 3.88Å; C36-Y40 VanDerWaalsContact CB-O 3.25Å; C36-Y40 WeakPolarHBondContact CB-O 3.02Å; N37-Y40 PolarHBondContact O-N 3.34Å; Y40-Q47 CarbonylContact C-O 3.49Å; Y40-Q47 VanDerWaalsContact CA-O 3.22Å; Y40-Q47 WeakPolarHBondContact CA-O 3.41Å; Y40-P48 HydrophobicContact CD1-CB 4.37Å; Y40-P48 HydrophobicContact CE1-CB 4.21Å |
| 41 | E | 87 | Confident | 86.4 | Confident | 87 Ų | 87 | 75.8 Ų | 75.8 | 41% | 0.407 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 178.7 | 177.7 | 70 | 178.3 | 170.4 | 0 | 0 | 111.2 | C45 E46 Q47 L49 | E41-C45 CarbonylContact O-C 3.48Å; E41-C45 WeakPolarHBondContact O-CA 3.41Å; E41-E46 PolarHBondContact O-N 3.31Å; E41-Q47 HydrophobicContact CG-CB 3.92Å; E41-Q47 PolarHBondContact N-O 2.92Å; E41-Q47 WeakPolarHBondContact O-CB 3.17Å; E41-Q47 PolarHBondContact O-N 3.26Å; E41-L49 HydrophobicContact CB-CD2 3.9Å; E41-L49 HydrophobicContact CB-CG 4.15Å; E41-L49 HydrophobicContact CG-CD2 3.79Å; E41-L49 HydrophobicContact CG-CG 4.22Å; E41-L49 VanDerWaalsContact OE2-CD2 3.25Å; E41-L49 WeakPolarHBondContact OE2-CD2 3.43Å |
| 42 | G | 86 | Confident | 86.1 | Confident | 30 Ų | 30 | 81.4 Ų | 81.4 | 31% | 0.309 | 45% | 0.45 | S | S | . | . | S | Bend | trans | 105.7 | 167.7 | -175.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | N44 C45 | G42-N44 PolarHBondContact O-N 3.3Å; G42-C45 PolarHBondContact O-N 2.66Å |
| 43 | L | 86.9 | Confident | 84.7 | Confident | 131 Ų | 131 | 83 Ų | 83 | 69% | 0.686 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | -30.4 | -179.1 | -175.6 | 69 | 0 | 0 | 0 | 111.5 | C34 | C34-L43 WeakPolarHBondContact CB-O 3.03Å; C34-L43 PolarHBondContact SG-O 3.41Å |
| 44 | N | 90.7 | Very high | 82.9 | Confident | 31 Ų | 31 | 84.5 Ų | 84.5 | 17% | 0.166 | 48% | 0.483 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -118.7 | 13.1 | -176 | -66.9 | 93.8 | 0 | 0 | 0 | 112.1 | P15 H17 Y32 G42 E46 | P15-N44 WeakPolarHBondContact O-CB 3.05Å; P15-N44 PolarHBondContact O-ND2 3.03Å; H17-N44 PolarHBondContact N-O 3.28Å; Y32-N44 PolarHBondContact OH-ND2 3.05Å; G42-N44 PolarHBondContact O-N 3.3Å; N44-E46 VanDerWaalsContact C-OE2 3.3Å; N44-E46 WeakPolarHBondContact CA-OE2 2.99Å; N44-E46 WeakPolarHBondContact CB-OE2 3.49Å; N44-E46 PolarHBondContact N-OE2 2.91Å; N44-E46 PolarHBondContact O-N 3.14Å |
| 45 | C | 92.9 | Very high | 80.9 | Confident | 0 Ų | 0 | 88.4 Ų | 88.4 | 0% | 0 | 51% | 0.51 | C | S | . | . | S | Bend | trans | 56 | 37.2 | -175.2 | -46.2 | 0 | 0 | 0 | 0 | 112.7 | H18 C36 E41 G42 | H18-C45 HydrophobicContact CB-CB 4.22Å; H18-C45 PolarHBondContact ND1-O 2.91Å; H18-C45 WeakPolarHBondContact O-CB 3.46Å; C36-C45 WeakPolarHBondContact CA-SG 3.4Å; C36-C45 HydrophobicContact CB-CB 3.69Å; C36-C45 WeakPolarHBondContact CB-SG 3.45Å; C36-C45 PolarHBondContact N-SG 3.18Å; C36-C45 WeakPolarHBondContact SG-CA 3.33Å; C36-C45 WeakPolarHBondContact SG-CB 3.22Å; C36-C45 CovalentContact SG-SG 2.03Å; C36-C45 PolarHBondContact SG-SG 2.97Å; E41-C45 CarbonylContact O-C 3.48Å; E41-C45 WeakPolarHBondContact O-CA 3.41Å; G42-C45 PolarHBondContact O-N 2.66Å |
| 46 | E | 93.4 | Very high | 79 | Confident | 89 Ų | 89 | 86.9 Ų | 86.9 | 42% | 0.416 | 52% | 0.52 | S | S | . | . | trans | -87 | -17.8 | -177.9 | 74 | -78.1 | -170.1 | 0 | 0 | 112.9 | E41 N44 | E41-E46 PolarHBondContact O-N 3.31Å; N44-E46 VanDerWaalsContact C-OE2 3.3Å; N44-E46 WeakPolarHBondContact CA-OE2 2.99Å; N44-E46 WeakPolarHBondContact CB-OE2 3.49Å; N44-E46 PolarHBondContact N-OE2 2.91Å; N44-E46 PolarHBondContact O-N 3.14Å | ||
| 47 | Q | 89.5 | Confident | 76.4 | Confident | 99 Ų | 99 | 96.5 Ų | 96.5 | 46% | 0.463 | 55% | 0.55 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -103 | 126.6 | -174.5 | -51.7 | -175.4 | -72.4 | 0 | 0 | 110.1 | Y40 E41 | Y40-Q47 CarbonylContact C-O 3.49Å; Y40-Q47 VanDerWaalsContact CA-O 3.22Å; Y40-Q47 WeakPolarHBondContact CA-O 3.41Å; E41-Q47 HydrophobicContact CG-CB 3.92Å; E41-Q47 PolarHBondContact N-O 2.92Å; E41-Q47 WeakPolarHBondContact O-CB 3.17Å; E41-Q47 PolarHBondContact O-N 3.26Å |
| 48 | P | 86.8 | Confident | 74 | Confident | 90 Ų | 90 | 98.2 Ų | 98.2 | 58% | 0.584 | 56% | 0.564 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -73.7 | 134.5 | 169.3 | 29.3 | -31.8 | 0 | 0 | 0 | 109.9 | G39 Y40 | G39-P48 CarbonylContact O-C 3.43Å; G39-P48 WeakPolarHBondContact O-CA 3.37Å; Y40-P48 HydrophobicContact CD1-CB 4.37Å; Y40-P48 HydrophobicContact CE1-CB 4.21Å |
| 49 | L | 84.5 | Confident | 71.9 | Confident | 75 Ų | 75 | 98.9 Ų | 98.9 | 39% | 0.393 | 56% | 0.562 | S | S | . | * | P | Polyproline II helix | trans | -64.2 | 134.9 | 170 | -75.8 | 168.5 | 0 | 0 | 0 | 109.1 | G39 E41 S51 | G39-L49 PolarHBondContact O-N 3.34Å; E41-L49 HydrophobicContact CB-CD2 3.9Å; E41-L49 HydrophobicContact CB-CG 4.15Å; E41-L49 HydrophobicContact CG-CD2 3.79Å; E41-L49 HydrophobicContact CG-CG 4.22Å; E41-L49 VanDerWaalsContact OE2-CD2 3.25Å; E41-L49 WeakPolarHBondContact OE2-CD2 3.43Å; L49-S51 PolarHBondContact O-N 3.13Å |
| 50 | P | 78.8 | Confident | 69.5 | Low | 108 Ų | 108 | 102.1 Ų | 102.1 | 70% | 0.701 | 58% | 0.579 | S | S | * | * | trans | -62.5 | 107.1 | 172.5 | 22.9 | -29 | 0 | 0 | 0 | 108.6 | I52 | P50-I52 PolarHBondContact O-N 3.04Š| ||
| 51 | S | 70.8 | Confident | 67.4 | Low | 110 Ų | 110 | 104.6 Ų | 104.6 | 77% | 0.769 | 60% | 0.603 | S | S | * | * | trans | -63.6 | 105.8 | 171.6 | 43.5 | 0 | 0 | 0 | 0 | 107.8 | L49 P53 | L49-S51 PolarHBondContact O-N 3.13Å; S51-P53 VanDerWaalsContact O-CD 3.23Å; S51-P53 WeakPolarHBondContact O-CD 3.38Å | ||
| 52 | I | 62.3 | Low | 65.2 | Low | 152 Ų | 152 | 104.4 Ų | 104.4 | 78% | 0.779 | 62% | 0.616 | S | S | * | * | trans | -61.4 | 118.4 | 159.7 | -58.8 | -179.9 | 0 | 0 | 0 | 104.4 | P50 T54 | P50-I52 PolarHBondContact O-N 3.04Å; I52-T54 PolarHBondContact O-N 3.22Å | ||
| 53 | P | 51.8 | Low | 63.1 | Low | 110 Ų | 110 | 108.9 Ų | 108.9 | 71% | 0.714 | 64% | 0.64 | S | S | * | * | trans | -60.5 | 113.4 | 174.2 | 23 | -29.6 | 0 | 0 | 0 | 106.6 | S51 S55 | S51-P53 VanDerWaalsContact O-CD 3.23Å; S51-P53 WeakPolarHBondContact O-CD 3.38Å; P53-S55 VanDerWaalsContact C-N 3.27Å; P53-S55 PolarHBondContact O-N 3.35Å | ||
| 54 | T | 46.3 | Very low | 61 | Low | 135 Ų | 135 | 113.9 Ų | 113.9 | 83% | 0.828 | 65% | 0.65 | S | S | * | * | trans | -53.7 | 98.8 | 167.4 | -39.5 | 0 | 0 | 0 | 0 | 106.1 | I52 G56 | I52-T54 PolarHBondContact O-N 3.22Å; T54-G56 PolarHBondContact O-N 2.79Å | ||
| 55 | S | 47.7 | Very low | 58.7 | Low | 96 Ų | 96 | 120.4 Ų | 120.4 | 67% | 0.671 | 68% | 0.679 | S | S | * | * | trans | -54.2 | 117.3 | 171.6 | 54.5 | 0 | 0 | 0 | 0 | 106.6 | P53 W57 | P53-S55 VanDerWaalsContact C-N 3.27Å; P53-S55 PolarHBondContact O-N 3.35Å; S55-W57 PolarHBondContact O-N 3.13Å | ||
| 56 | G | 50.2 | Low | 56.3 | Low | 70 Ų | 70 | 128.1 Ų | 128.1 | 72% | 0.722 | 72% | 0.719 | S | S | * | * | trans | -53.6 | 123.5 | -166.6 | 0 | 0 | 0 | 0 | 0 | 113 | T54 | T54-G56 PolarHBondContact O-N 2.79Š| ||
| 57 | W | 37 | Very low | 54.1 | Low | 243 Ų | 243 | 131.5 Ų | 131.5 | 92% | 0.92 | 74% | 0.735 | S | S | * | * | trans | -102.3 | 106.8 | 140.2 | -70.9 | 90.8 | 0 | 0 | 0 | 105.5 | S55 E59 | S55-W57 PolarHBondContact O-N 3.13Å; W57-E59 PolarHBondContact O-N 3.34Å | ||
| 58 | T | 43 | Very low | 52 | Low | 124 Ų | 124 | 132.9 Ų | 132.9 | 76% | 0.761 | 75% | 0.753 | S | S | * | * | trans | -48.5 | 107.1 | 165.7 | 29.1 | 0 | 0 | 0 | 0 | 109.2 | S60 | T58-S60 PolarHBondContact O-N 3.23Š| ||
| 59 | E | 45.1 | Very low | 49.7 | Very low | 182 Ų | 182 | 135 Ų | 135 | 85% | 0.85 | 76% | 0.764 | S | S | * | * | trans | -56.7 | 91.5 | 159.3 | -175.9 | 134.3 | 87.7 | 0 | 0 | 107.4 | W57 T61 | W57-E59 PolarHBondContact O-N 3.34Å; E59-T61 VanDerWaalsContact C-N 3.33Å; E59-T61 PolarHBondContact O-N 3.04Å | ||
| 60 | S | 38.9 | Very low | 47.8 | Very low | 101 Ų | 101 | 136.4 Ų | 136.4 | 71% | 0.706 | 78% | 0.778 | S | S | * | * | trans | -74.7 | 95.4 | 171 | -60.2 | 0 | 0 | 0 | 0 | 106.4 | T58 A62 | T58-S60 PolarHBondContact O-N 3.23Å; S60-A62 VanDerWaalsContact C-N 3.26Å; S60-A62 PolarHBondContact O-N 3.23Å | ||
| 61 | T | 45.2 | Very low | 46 | Very low | 134 Ų | 134 | 136.5 Ų | 136.5 | 82% | 0.822 | 79% | 0.787 | S | S | * | * | trans | -55.3 | 93.5 | 158.3 | 32.5 | 0 | 0 | 0 | 0 | 108.7 | E59 | E59-T61 VanDerWaalsContact C-N 3.33Å; E59-T61 PolarHBondContact O-N 3.04Å | ||
| 62 | A | 42 | Very low | 44.5 | Very low | 82 Ų | 82 | 137.7 Ų | 137.7 | 68% | 0.678 | 79% | 0.79 | S | S | * | * | trans | -86.7 | 127.8 | 162.3 | 0 | 0 | 0 | 0 | 0 | 108.2 | S60 R64 | S60-A62 VanDerWaalsContact C-N 3.26Å; S60-A62 PolarHBondContact O-N 3.23Å; A62-R64 PolarHBondContact O-N 3.28Å | ||
| 63 | P | 40.9 | Very low | 43.8 | Very low | 124 Ų | 124 | 139.1 Ų | 139.1 | 81% | 0.805 | 79% | 0.793 | S | S | * | * | trans | -64.2 | 122.8 | 176 | -16 | 28.3 | 0 | 0 | 0 | 110.2 | Q65 | P63-Q65 PolarHBondContact O-N 2.99Š| ||
| 64 | R | 42.8 | Very low | 43.5 | Very low | 236 Ų | 236 | 141.4 Ų | 141.4 | 89% | 0.891 | 80% | 0.795 | S | S | * | * | trans | -67.5 | 97.4 | 163.1 | -88.4 | -163.7 | -170.2 | -87 | 2.4 | 108.4 | A62 L66 | A62-R64 PolarHBondContact O-N 3.28Å; R64-L66 PolarHBondContact O-N 2.92Å | ||
| 65 | Q | 42.4 | Very low | 43.5 | Very low | 168 Ų | 168 | 140.9 Ų | 140.9 | 79% | 0.785 | 79% | 0.794 | S | S | * | * | trans | -77.5 | 113.1 | 160.8 | -163 | 155.1 | -48 | 0 | 0 | 107.8 | P63 Q67 | P63-Q65 PolarHBondContact O-N 2.99Å; Q65-Q67 PolarHBondContact O-N 2.79Å | ||
| 66 | L | 43 | Very low | 43.3 | Very low | 162 Ų | 162 | 142.2 Ų | 142.2 | 85% | 0.848 | 79% | 0.793 | S | S | * | * | trans | -68.3 | 105.8 | 174.8 | -70.6 | 164 | 0 | 0 | 0 | 108.8 | R64 | R64-L66 PolarHBondContact O-N 2.92Š| ||
| 67 | Q | 47.8 | Very low | 42.9 | Very low | 161 Ų | 161 | 145.6 Ų | 145.6 | 75% | 0.752 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -103.4 | 128.4 | 161 | -79.9 | 179.9 | -100.7 | 0 | 0 | 109.1 | Q65 V69 | Q65-Q67 PolarHBondContact O-N 2.79Å; Q67-V69 PolarHBondContact O-N 2.83Å |
| 68 | P | 44.5 | Very low | 43.2 | Very low | 127 Ų | 127 | 140.6 Ų | 140.6 | 83% | 0.825 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -72.9 | 121.9 | 173.7 | -8.8 | 24.4 | 0 | 0 | 0 | 109.9 | ||
| 69 | V | 38.1 | Very low | 43 | Very low | 134 Ų | 134 | 142.1 Ų | 142.1 | 81% | 0.812 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -87.8 | 127.6 | 170.2 | 179.1 | 0 | 0 | 0 | 0 | 108.4 | Q67 | Q67-V69 PolarHBondContact O-N 2.83Š|
| 70 | P | 44.1 | Very low | 43 | Very low | 106 Ų | 106 | 138.6 Ų | 138.6 | 69% | 0.688 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 138.9 | 176.3 | -12.7 | 27.1 | 0 | 0 | 0 | 111.3 | T72 | P70-T72 PolarHBondContact O-N 3.01Å; P70-T72 PolarHBondContact O-OG1 3.08Å |
| 71 | A | 42.1 | Very low | 43.5 | Very low | 109 Ų | 109 | 145.6 Ų | 145.6 | 90% | 0.901 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 123.1 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||
| 72 | T | 39.5 | Very low | 43.5 | Very low | 136 Ų | 136 | 144.2 Ų | 144.2 | 83% | 0.834 | 79% | 0.785 | S | S | * | * | trans | -123.9 | 130.6 | 169.1 | -42 | 0 | 0 | 0 | 0 | 108.4 | P70 | P70-T72 PolarHBondContact O-N 3.01Å; P70-T72 PolarHBondContact O-OG1 3.08Å | ||
| 73 | Q | 46.4 | Very low | 44 | Very low | 181 Ų | 181 | 148.9 Ų | 148.9 | 85% | 0.846 | 79% | 0.793 | S | S | * | * | trans | -64.1 | 146.9 | -161.7 | -67.4 | 160.8 | -70.8 | 0 | 0 | 114 | ||||
| 74 | E | 47.1 | Very low | 43.9 | Very low | 159 Ų | 159 | 147.4 Ų | 147.4 | 74% | 0.743 | 79% | 0.792 | S | S | * | * | trans | -59.3 | 139.4 | 164.1 | -173 | 178.5 | 122.1 | 0 | 0 | 111.5 | ||||
| 75 | P | 46.1 | Very low | 43.8 | Very low | 124 Ų | 124 | 140.9 Ų | 140.9 | 81% | 0.805 | 78% | 0.778 | S | S | * | * | trans | -110.2 | 131.8 | 148.8 | 16 | 2.3 | 0 | 0 | 0 | 110.7 | ||||
| 76 | D | 42.8 | Very low | 43.7 | Very low | 123 Ų | 123 | 139 Ų | 139 | 66% | 0.658 | 78% | 0.778 | S | S | * | * | trans | -81.5 | 138.9 | -173.1 | -131.8 | -27 | 0 | 0 | 0 | 112.2 | ||||
| 77 | I | 41.2 | Very low | 43.4 | Very low | 142 Ų | 142 | 137 Ų | 137 | 73% | 0.728 | 77% | 0.773 | S | S | * | * | trans | 65.9 | 135.9 | 156.2 | -14.3 | -172.7 | 0 | 0 | 0 | 118 | ||||
| 78 | I | 43.2 | Very low | 42.8 | Very low | 138 Ų | 138 | 136.3 Ų | 136.3 | 71% | 0.708 | 77% | 0.773 | S | S | * | * | cis | -169.4 | 135.3 | 48.9 | -68.8 | 179.3 | 0 | 0 | 0 | 113.2 | ||||
| 79 | L | 39.8 | Very low | 42.6 | Very low | 156 Ų | 156 | 136 Ų | 136 | 82% | 0.817 | 77% | 0.771 | S | S | * | * | trans | 66.8 | 158.4 | 156.8 | -94 | 84.1 | 0 | 0 | 0 | 122.8 | ||||
| 80 | P | 44.1 | Very low | 43.1 | Very low | 108 Ų | 108 | 135.2 Ų | 135.2 | 70% | 0.701 | 77% | 0.767 | S | S | * | * | cis | -128.9 | 164.6 | 10 | 37.7 | -18.6 | 0 | 0 | 0 | 117.7 | ||||
| 81 | R | 51.2 | Low | 43.7 | Very low | 247 Ų | 247 | 135.2 Ų | 135.2 | 93% | 0.932 | 75% | 0.753 | S | S | * | * | trans | -71.1 | 118.1 | 169.9 | -176 | -177.2 | -170 | 164.5 | 2.6 | 111 | ||||
| 82 | S | 45.1 | Very low | 44.2 | Very low | 105 Ų | 105 | 137.3 Ų | 137.3 | 73% | 0.734 | 74% | 0.744 | S | S | * | * | trans | -173.2 | 127.6 | 150.1 | 46.5 | 0 | 0 | 0 | 0 | 111.8 | A84 | S82-A84 PolarHBondContact O-N 3.49Š| ||
| 83 | Q | 50.8 | Low | 44.7 | Very low | 180 Ų | 180 | 133.9 Ų | 133.9 | 84% | 0.841 | 73% | 0.725 | S | S | * | * | trans | -37.7 | 119.3 | 168.1 | -90.9 | 146.4 | -116.3 | 0 | 0 | 112.9 | T85 | Q83-T85 VanDerWaalsContact C-N 3.26Å; Q83-T85 PolarHBondContact O-N 2.7Å | ||
| 84 | A | 39.4 | Very low | 45.1 | Very low | 94 Ų | 94 | 133.1 Ų | 133.1 | 78% | 0.777 | 72% | 0.718 | S | S | * | * | trans | -80.5 | 86.4 | 150.3 | 0 | 0 | 0 | 0 | 0 | 107 | S82 V86 | S82-A84 PolarHBondContact O-N 3.49Å; A84-V86 PolarHBondContact O-N 3.07Å | ||
| 85 | T | 41.2 | Very low | 45.3 | Very low | 98 Ų | 98 | 133 Ų | 133 | 60% | 0.601 | 73% | 0.729 | S | S | * | * | trans | -56 | 111.1 | 159 | -64.5 | 0 | 0 | 0 | 0 | 106.2 | Q83 T87 | Q83-T85 VanDerWaalsContact C-N 3.26Å; Q83-T85 PolarHBondContact O-N 2.7Å; T85-T87 VanDerWaalsContact C-N 3.26Å; T85-T87 PolarHBondContact O-N 3.29Å; T85-T87 PolarHBondContact O-OG1 2.82Å | ||
| 86 | V | 39.3 | Very low | 45.4 | Very low | 128 Ų | 128 | 131.1 Ų | 131.1 | 78% | 0.776 | 73% | 0.732 | S | S | * | * | trans | -67.1 | 94 | 170.4 | 177.9 | 0 | 0 | 0 | 0 | 106.4 | A84 L88 | A84-V86 PolarHBondContact O-N 3.07Å; V86-L88 PolarHBondContact O-N 3.28Å | ||
| 87 | T | 38.5 | Very low | 45.3 | Very low | 122 Ų | 122 | 127.5 Ų | 127.5 | 75% | 0.748 | 71% | 0.711 | S | S | * | * | trans | -70.9 | 100 | 175.5 | -30.1 | 0 | 0 | 0 | 0 | 107.2 | T85 | T85-T87 VanDerWaalsContact C-N 3.26Å; T85-T87 PolarHBondContact O-N 3.29Å; T85-T87 PolarHBondContact O-OG1 2.82Å | ||
| 88 | L | 33.9 | Very low | 45.2 | Very low | 145 Ų | 145 | 128.5 Ų | 128.5 | 76% | 0.759 | 71% | 0.71 | S | S | * | * | trans | -49.9 | 135.9 | 168.2 | -80.3 | 151.8 | 0 | 0 | 0 | 108.9 | V86 T90 | V86-L88 PolarHBondContact O-N 3.28Å; L88-T90 PolarHBondContact O-N 2.79Å | ||
| 89 | P | 40 | Very low | 45.2 | Very low | 121 Ų | 121 | 124.9 Ų | 124.9 | 79% | 0.786 | 69% | 0.694 | S | S | * | * | trans | -58.4 | 127.3 | -179.8 | 22.9 | -31.7 | 0 | 0 | 0 | 109.4 | W91 | P89-W91 PolarHBondContact O-N 3.44Š| ||
| 90 | T | 49.3 | Very low | 45.3 | Very low | 117 Ų | 117 | 122.5 Ų | 122.5 | 72% | 0.718 | 69% | 0.686 | S | S | * | * | trans | -61.3 | 111 | 175.5 | 41.1 | 0 | 0 | 0 | 0 | 109.4 | L88 Q92 | L88-T90 PolarHBondContact O-N 2.79Å; T90-Q92 PolarHBondContact O-N 3.39Å | ||
| 91 | W | 56.2 | Low | 45.2 | Very low | 107 Ų | 107 | 123.6 Ų | 123.6 | 41% | 0.405 | 68% | 0.681 | S | S | . | * | trans | -55.1 | 133.4 | 176 | 177.8 | 93.9 | 0 | 0 | 0 | 111.5 | P89 P93 V99 K140 | P89-W91 PolarHBondContact O-N 3.44Å; W91-P93 HydrophobicContact CH2-CB 3.81Å; W91-P93 HydrophobicContact CZ2-CB 4.48Å; W91-P93 HydrophobicContact CZ3-CB 4.18Å; W91-V99 HydrophobicContact CH2-CG2 4.05Å; W91-V99 HydrophobicContact CZ3-CG2 4.06Å; W91-K140 HydrophobicContact CE3-CD 3.76Å; W91-K140 HydrophobicContact CZ3-CB 4.32Å; W91-K140 HydrophobicContact CZ3-CD 3.92Å; W91-K140 PolarHBondContact O-NZ 2.02Å | ||
| 92 | Q | 52.6 | Low | 44.7 | Very low | 152 Ų | 152 | 117.9 Ų | 117.9 | 71% | 0.71 | 67% | 0.667 | S | S | * | * | trans | -119.8 | 143.3 | 174 | -62.6 | -164.5 | 3.6 | 0 | 0 | 110.6 | T90 | T90-Q92 PolarHBondContact O-N 3.39Š| ||
| 93 | P | 50.2 | Low | 44.3 | Very low | 65 Ų | 65 | 121 Ų | 121 | 42% | 0.422 | 67% | 0.667 | S | S | . | * | trans | -67.2 | 143.3 | 177.1 | 27.7 | -33.8 | 0 | 0 | 0 | 111.9 | W91 Q97 V99 | W91-P93 HydrophobicContact CH2-CB 3.81Å; W91-P93 HydrophobicContact CZ2-CB 4.48Å; W91-P93 HydrophobicContact CZ3-CB 4.18Å; P93-Q97 HydrophobicContact CB-CB 4.16Å; P93-V99 HydrophobicContact CB-CG2 3.47Å; P93-V99 VanDerWaalsContact CB-CG2 3.47Å; P93-V99 HydrophobicContact CG-CG2 3.65Å | ||
| 94 | K | 56.1 | Low | 44 | Very low | 164 Ų | 164 | 119.5 Ų | 119.5 | 71% | 0.713 | 65% | 0.654 | S | S | * | * | trans | -72.7 | 154 | 172.7 | -62.7 | -179.5 | -179.8 | 179.9 | 0 | 110.5 | G96 Q97 | K94-G96 PolarHBondContact O-N 3.49Å; K94-G96 VanDerWaalsContact O-N 3.08Å; K94-Q97 HydrophobicContact CB-CG 4.31Å; K94-Q97 WeakPolarHBondContact O-CB 3.18Å; K94-Q97 PolarHBondContact O-N 3.42Å | ||
| 95 | T | 49.4 | Very low | 44 | Very low | 158 Ų | 158 | 120.8 Ų | 120.8 | 97% | 0.969 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.6 | 115.8 | 176.1 | -46.4 | 0 | 0 | 0 | 0 | 110.5 | ||
| 96 | G | 49.9 | Very low | 44.1 | Very low | 84 Ų | 84 | 125.5 Ų | 125.5 | 87% | 0.866 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 101 | -7.8 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | K94 | K94-G96 PolarHBondContact O-N 3.49Å; K94-G96 VanDerWaalsContact O-N 3.08Å |
| 97 | Q | 39.1 | Very low | 44.1 | Very low | 47 Ų | 47 | 123.8 Ų | 123.8 | 22% | 0.22 | 65% | 0.653 | C | S | . | * | P | Polyproline II helix | trans | -85.2 | 119 | 173.3 | -72.9 | -173.1 | -43.4 | 0 | 0 | 111.5 | P93 K94 V99 S138 | P93-Q97 HydrophobicContact CB-CB 4.16Å; K94-Q97 HydrophobicContact CB-CG 4.31Å; K94-Q97 WeakPolarHBondContact O-CB 3.18Å; K94-Q97 PolarHBondContact O-N 3.42Å; Q97-V99 PolarHBondContact O-N 3.3Å; Q97-S138 PolarHBondContact NE2-OG 3.03Å |
| 98 | K | 41 | Very low | 43.9 | Very low | 163 Ų | 163 | 126.2 Ų | 126.2 | 71% | 0.709 | 66% | 0.655 | S | S | * | * | P | Polyproline II helix | trans | -80.3 | 116.1 | 173.2 | -170.1 | 179.7 | 179.9 | -175.1 | 0 | 109.6 | ||
| 99 | V | 42.5 | Very low | 44.1 | Very low | 62 Ų | 62 | 126.1 Ų | 126.1 | 38% | 0.376 | 66% | 0.661 | S | S | . | * | P | Polyproline II helix | trans | -90.1 | 125.2 | 172.6 | -176.5 | 0 | 0 | 0 | 0 | 108.4 | W91 P93 Q97 | W91-V99 HydrophobicContact CH2-CG2 4.05Å; W91-V99 HydrophobicContact CZ3-CG2 4.06Å; P93-V99 HydrophobicContact CB-CG2 3.47Å; P93-V99 VanDerWaalsContact CB-CG2 3.47Å; P93-V99 HydrophobicContact CG-CG2 3.65Å; Q97-V99 PolarHBondContact O-N 3.3Å |
| 100 | V | 42.4 | Very low | 43.8 | Very low | 105 Ų | 105 | 126 Ų | 126 | 64% | 0.636 | 66% | 0.657 | S | S | * | * | trans | -106.5 | 117.4 | 173.1 | -179 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 101 | E | 41.2 | Very low | 43.2 | Very low | 131 Ų | 131 | 125.3 Ų | 125.3 | 61% | 0.612 | 66% | 0.655 | S | S | * | * | P | Polyproline II helix | trans | -91.5 | 119.6 | 175.8 | -171.8 | 164.6 | -138 | 0 | 0 | 108.7 | R142 | E101-R142 IonicContact OE1-NH1 3.72Š|
| 102 | M | 40.9 | Very low | 42.3 | Very low | 128 Ų | 128 | 126.9 Ų | 126.9 | 63% | 0.631 | 67% | 0.671 | S | S | * | * | P | Polyproline II helix | trans | -95.9 | 117.6 | 179.8 | -169.5 | 171.2 | -174.2 | 0 | 0 | 109.4 | V129 | M102-V129 HydrophobicContact CE-CG1 4.26Š|
| 103 | K | 36.2 | Very low | 41.8 | Very low | 169 Ų | 169 | 124.6 Ų | 124.6 | 74% | 0.735 | 67% | 0.667 | S | S | * | * | P | Polyproline II helix | trans | -85.3 | 121.1 | 168.1 | -69.4 | -173.3 | 176 | -174.7 | 0 | 108.5 | D105 | K103-D105 PolarHBondContact O-N 3.36Š|
| 104 | W | 44.7 | Very low | 41.5 | Very low | 150 Ų | 150 | 124.1 Ų | 124.1 | 57% | 0.568 | 67% | 0.669 | S | S | * | * | trans | -90.4 | 81.4 | 174.8 | -167.1 | -80.7 | 0 | 0 | 0 | 109 | R127 V129 | W104-R127 VanDerWaalsContact CZ2-CD 3.49Å; W104-V129 HydrophobicContact CH2-CG2 3.56Å; W104-V129 HydrophobicContact CZ3-CG2 3.73Å | ||
| 105 | D | 39.4 | Very low | 41.1 | Very low | 121 Ų | 121 | 118 Ų | 118 | 65% | 0.647 | 65% | 0.647 | S | S | * | * | trans | -79.1 | 129.3 | 167.3 | -69.4 | -48.2 | 0 | 0 | 0 | 108.3 | K103 V107 | K103-D105 PolarHBondContact O-N 3.36Å; D105-V107 PolarHBondContact O-N 2.98Å | ||
| 106 | Q | 42.4 | Very low | 40.7 | Very low | 196 Ų | 196 | 112 Ų | 112 | 92% | 0.916 | 62% | 0.616 | S | S | * | * | trans | -61.1 | 96.8 | -176.8 | -174.3 | 174.6 | 57.9 | 0 | 0 | 109.8 | ||||
| 107 | V | 39.9 | Very low | 40.1 | Very low | 92 Ų | 92 | 112 Ų | 112 | 56% | 0.558 | 60% | 0.596 | S | S | * | * | trans | -119 | 112.2 | 176.6 | -179.9 | 0 | 0 | 0 | 0 | 109.3 | D105 R127 | D105-V107 PolarHBondContact O-N 2.98Å; V107-R127 PolarHBondContact O-NH2 2.03Å | ||
| 108 | E | 35 | Very low | 40 | Very low | 173 Ų | 173 | 115 Ų | 115 | 81% | 0.808 | 63% | 0.629 | S | S | * | * | trans | 25.8 | 113.9 | 163.4 | -101.8 | 173.3 | 156.5 | 0 | 0 | 118 | V110 | E108-V110 PolarHBondContact O-N 2.74Š| ||
| 109 | V | 36.9 | Very low | 40.1 | Very low | 143 Ų | 143 | 111.9 Ų | 111.9 | 87% | 0.867 | 63% | 0.628 | S | S | * | * | trans | -77.7 | 107.9 | 170.5 | -179.5 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 110 | V | 35.2 | Very low | 40.1 | Very low | 119 Ų | 119 | 111.9 Ų | 111.9 | 72% | 0.721 | 63% | 0.631 | S | S | * | * | trans | -88.8 | 125.4 | 166.6 | -169.8 | 0 | 0 | 0 | 0 | 107.5 | E108 D112 | E108-V110 PolarHBondContact O-N 2.74Å; V110-D112 VanDerWaalsContact C-N 3.35Å; V110-D112 PolarHBondContact O-N 2.76Å; V110-D112 VanDerWaalsContact O-N 3.14Å | ||
| 111 | P | 36.2 | Very low | 40.1 | Very low | 103 Ų | 103 | 115.1 Ų | 115.1 | 67% | 0.669 | 64% | 0.644 | S | S | * | * | S | Bend | trans | -84.8 | 18.8 | -155.8 | 33.8 | -37.1 | 0 | 0 | 0 | 116.7 | ||
| 112 | D | 37.1 | Very low | 40.1 | Very low | 140 Ų | 140 | 115.5 Ų | 115.5 | 75% | 0.749 | 65% | 0.651 | S | S | * | * | trans | -112.9 | 20.7 | -164.6 | -69.6 | -34.7 | 0 | 0 | 0 | 116.7 | V110 | V110-D112 VanDerWaalsContact C-N 3.35Å; V110-D112 PolarHBondContact O-N 2.76Å; V110-D112 VanDerWaalsContact O-N 3.14Å | ||
| 113 | V | 42.3 | Very low | 40.3 | Very low | 103 Ų | 103 | 113.7 Ų | 113.7 | 62% | 0.624 | 65% | 0.651 | S | S | * | * | trans | -133.6 | 70.2 | 169.3 | -156.8 | 0 | 0 | 0 | 0 | 110.9 | L128 | V113-L128 HydrophobicContact CG1-CD1 3.62Š| ||
| 114 | A | 44.2 | Very low | 40.7 | Very low | 55 Ų | 55 | 109 Ų | 109 | 46% | 0.455 | 64% | 0.643 | S | S | . | * | trans | -86.2 | 115.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | G116 | A114-G116 PolarHBondContact O-N 2.91Š| ||
| 115 | C | 46.3 | Very low | 40.4 | Very low | 36 Ų | 36 | 105 Ų | 105 | 24% | 0.243 | 65% | 0.648 | C | S | . | * | trans | -87.7 | 84.4 | 157 | 172.9 | 0 | 0 | 0 | 0 | 107.6 | C163 | C115-C163 HydrophobicContact CB-CB 4.08Å; C115-C163 VanDerWaalsContact SG-CA 3.55Å; C115-C163 WeakPolarHBondContact SG-CB 3.39Å | ||
| 116 | G | 41.5 | Very low | 40.6 | Very low | 31 Ų | 31 | 101.4 Ų | 101.4 | 32% | 0.32 | 64% | 0.64 | S | S | . | * | trans | -127.7 | 141.4 | -180 | 0 | 0 | 0 | 0 | 0 | 111.1 | A114 A118 | A114-G116 PolarHBondContact O-N 2.91Å; G116-A118 PolarHBondContact O-N 3.33Å | ||
| 117 | N | 37.3 | Very low | 40.6 | Very low | 85 Ų | 85 | 98.9 Ų | 98.9 | 46% | 0.455 | 62% | 0.622 | S | S | . | * | trans | -62.5 | 113.8 | 170.6 | 178.6 | 5.9 | 0 | 0 | 0 | 109.3 | S119 S120 | N117-S119 PolarHBondContact ND2-OG 3.5Å; N117-S119 PolarHBondContact O-N 2.94Å; N117-S119 PolarHBondContact OD1-N 3.27Å; N117-S119 VanDerWaalsContact OD1-N 3.14Å; N117-S119 PolarHBondContact OD1-OG 3.05Å; N117-S120 PolarHBondContact O-N 2.87Å | ||
| 118 | A | 38.2 | Very low | 40.8 | Very low | 111 Ų | 111 | 99.2 Ų | 99.2 | 92% | 0.917 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.4 | -10.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | G116 | G116-A118 PolarHBondContact O-N 3.33Š|
| 119 | S | 42.7 | Very low | 41.2 | Very low | 97 Ų | 97 | 93.8 Ų | 93.8 | 68% | 0.678 | 60% | 0.599 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.4 | -8.6 | 176 | 65.8 | 0 | 0 | 0 | 0 | 114.6 | N117 | N117-S119 PolarHBondContact ND2-OG 3.5Å; N117-S119 PolarHBondContact O-N 2.94Å; N117-S119 PolarHBondContact OD1-N 3.27Å; N117-S119 VanDerWaalsContact OD1-N 3.14Å; N117-S119 PolarHBondContact OD1-OG 3.05Å |
| 120 | S | 41.3 | Very low | 41.5 | Very low | 62 Ų | 62 | 92.5 Ų | 92.5 | 43% | 0.434 | 60% | 0.596 | S | S | . | * | S | Bend | trans | -113 | 122.8 | 176.1 | -62.4 | 0 | 0 | 0 | 0 | 108.8 | N117 N122 | N117-S120 PolarHBondContact O-N 2.87Å; S120-N122 PolarHBondContact O-N 2.87Å |
| 121 | N | 43.5 | Very low | 42 | Very low | 172 Ų | 172 | 92.4 Ų | 92.4 | 92% | 0.92 | 59% | 0.586 | S | S | * | * | S | Bend | trans | -63.8 | 9.3 | 179.8 | -138.8 | 15.9 | 0 | 0 | 0 | 114.2 | ||
| 122 | N | 41.6 | Very low | 42.1 | Very low | 140 Ų | 140 | 96.9 Ų | 96.9 | 75% | 0.749 | 60% | 0.598 | S | S | * | * | trans | -115.3 | 91.1 | 176.3 | -70.3 | -3.4 | 0 | 0 | 0 | 108.1 | S120 A124 | S120-N122 PolarHBondContact O-N 2.87Å; N122-A124 PolarHBondContact O-N 3.4Å | ||
| 123 | S | 43.4 | Very low | 42.6 | Very low | 90 Ų | 90 | 93.3 Ų | 93.3 | 63% | 0.629 | 58% | 0.581 | S | S | * | * | trans | -63.2 | 102.5 | 165.2 | -62.4 | 0 | 0 | 0 | 0 | 108.1 | G125 | S123-G125 PolarHBondContact O-N 2.79Š| ||
| 124 | A | 44.5 | Very low | 42.6 | Very low | 71 Ų | 71 | 92.6 Ų | 92.6 | 59% | 0.587 | 58% | 0.579 | S | S | * | * | trans | -68.9 | 90.5 | 164.5 | 0 | 0 | 0 | 0 | 0 | 107.1 | N122 G126 | N122-A124 PolarHBondContact O-N 3.4Å; A124-G126 PolarHBondContact O-N 2.84Å | ||
| 125 | G | 40.2 | Very low | 42.6 | Very low | 65 Ų | 65 | 98.7 Ų | 98.7 | 67% | 0.67 | 60% | 0.598 | S | S | * | * | trans | -65.6 | 98.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | S123 | S123-G125 PolarHBondContact O-N 2.79Š| ||
| 126 | G | 42.6 | Very low | 42.5 | Very low | 46 Ų | 46 | 104.2 Ų | 104.2 | 47% | 0.474 | 63% | 0.625 | S | S | . | * | P | Polyproline II helix | trans | -80.8 | 135.6 | 169 | 0 | 0 | 0 | 0 | 0 | 110.6 | A124 | A124-G126 PolarHBondContact O-N 2.84Š|
| 127 | R | 43 | Very low | 42.5 | Very low | 143 Ų | 143 | 104.8 Ų | 104.8 | 54% | 0.54 | 62% | 0.622 | S | S | . | * | P | Polyproline II helix | trans | -83.6 | 119.1 | 170.7 | -167.4 | -178.1 | -168.5 | 168.9 | 14.2 | 109 | W104 V107 V129 | W104-R127 VanDerWaalsContact CZ2-CD 3.49Å; V107-R127 PolarHBondContact O-NH2 2.03Å; R127-V129 HydrophobicContact CG-CG2 4.14Å; R127-V129 PolarHBondContact O-N 3.47Å |
| 128 | L | 43.9 | Very low | 42.5 | Very low | 99 Ų | 99 | 102.8 Ų | 102.8 | 52% | 0.518 | 62% | 0.615 | S | S | . | * | P | Polyproline II helix | trans | -72.9 | 123.7 | 168.1 | -92.3 | 127 | 0 | 0 | 0 | 109.6 | V113 F160 | V113-L128 HydrophobicContact CG1-CD1 3.62Å; L128-F160 HydrophobicContact CD2-CE1 4.43Å; L128-F160 HydrophobicContact CD2-CE2 3.31Å; L128-F160 HydrophobicContact CD2-CZ 3.26Å |
| 129 | V | 43.8 | Very low | 43 | Very low | 58 Ų | 58 | 101.3 Ų | 101.3 | 35% | 0.352 | 59% | 0.594 | S | S | . | * | trans | -126.4 | 106.7 | 172.5 | -175.5 | 0 | 0 | 0 | 0 | 107.9 | M102 W104 R127 | M102-V129 HydrophobicContact CE-CG1 4.26Å; W104-V129 HydrophobicContact CH2-CG2 3.56Å; W104-V129 HydrophobicContact CZ3-CG2 3.73Å; R127-V129 HydrophobicContact CG-CG2 4.14Å; R127-V129 PolarHBondContact O-N 3.47Å | ||
| 130 | S | 42.3 | Very low | 43.2 | Very low | 117 Ų | 117 | 100.1 Ų | 100.1 | 82% | 0.818 | 58% | 0.577 | S | S | * | * | trans | -97.9 | 134.3 | 171.4 | 57.3 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 131 | F | 46.6 | Very low | 44 | Very low | 117 Ų | 117 | 101.8 Ų | 101.8 | 51% | 0.513 | 58% | 0.58 | S | S | . | * | trans | -135.3 | 135.4 | 172.4 | 54.3 | -86.4 | 0 | 0 | 0 | 109.8 | V133 V139 | F131-V133 HydrophobicContact CD2-CG2 3.31Å; F131-V133 HydrophobicContact CE2-CG2 3.35Å; F131-V139 HydrophobicContact CE2-CB 4.39Å; F131-V139 HydrophobicContact CE2-CG1 3.67Å; F131-V139 HydrophobicContact CE2-CG2 3.84Å; F131-V139 HydrophobicContact CZ-CG1 3.88Å | ||
| 132 | E | 38.6 | Very low | 44.1 | Very low | 197 Ų | 197 | 101.8 Ų | 101.8 | 92% | 0.921 | 57% | 0.567 | S | S | * | * | trans | -82.3 | 122.4 | 176.1 | -69.5 | -179.3 | -179.5 | 0 | 0 | 109.4 | ||||
| 133 | V | 46.1 | Very low | 44.7 | Very low | 64 Ų | 64 | 99.3 Ų | 99.3 | 39% | 0.388 | 55% | 0.551 | S | S | . | * | trans | -109.2 | 119.7 | -178.1 | -177.7 | 0 | 0 | 0 | 0 | 108 | F131 T137 V139 | F131-V133 HydrophobicContact CD2-CG2 3.31Å; F131-V133 HydrophobicContact CE2-CG2 3.35Å; V133-T137 WeakPolarHBondContact CG1-OG1 3.38Å; V133-V139 HydrophobicContact CB-CG2 4.33Å; V133-V139 HydrophobicContact CG1-CG2 3.72Å; V133-V139 HydrophobicContact CG2-CG2 3.57Å | ||
| 134 | P | 43.7 | Very low | 44.7 | Very low | 88 Ų | 88 | 101.8 Ų | 101.8 | 57% | 0.571 | 56% | 0.557 | S | S | * | * | trans | -56.4 | 150 | 174.9 | -24.4 | 32.2 | 0 | 0 | 0 | 112.4 | N136 T137 | P134-N136 PolarHBondContact O-N 2.83Å; P134-T137 HydrophobicContact CB-CG2 3.99Å; P134-T137 WeakPolarHBondContact CD-OG1 3.24Å; P134-T137 HydrophobicContact CG-CG2 4.32Å; P134-T137 PolarHBondContact O-N 2.88Å; P134-T137 VanDerWaalsContact O-N 3.15Å; P134-T137 PolarHBondContact O-OG1 2.87Å | ||
| 135 | Q | 42.7 | Very low | 44.7 | Very low | 184 Ų | 184 | 102.9 Ų | 102.9 | 86% | 0.86 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.9 | 137.4 | 175.1 | -64 | -176.1 | -1.2 | 0 | 0 | 110.3 | T137 | Q135-T137 VanDerWaalsContact C-N 3.33Å; Q135-T137 PolarHBondContact O-N 3.47Å |
| 136 | N | 44.4 | Very low | 45.4 | Very low | 152 Ų | 152 | 107 Ų | 107 | 81% | 0.813 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 67.5 | 15.3 | -177.4 | -53.2 | -42.4 | 0 | 0 | 0 | 117 | P134 | P134-N136 PolarHBondContact O-N 2.83Š|
| 137 | T | 42.1 | Very low | 45.7 | Very low | 42 Ų | 42 | 109 Ų | 109 | 26% | 0.258 | 58% | 0.58 | S | S | . | * | P | Polyproline II helix | trans | -95.8 | 139.4 | 172.8 | 51.7 | 0 | 0 | 0 | 0 | 112.5 | V133 P134 Q135 | V133-T137 WeakPolarHBondContact CG1-OG1 3.38Å; P134-T137 HydrophobicContact CB-CG2 3.99Å; P134-T137 WeakPolarHBondContact CD-OG1 3.24Å; P134-T137 HydrophobicContact CG-CG2 4.32Å; P134-T137 PolarHBondContact O-N 2.88Å; P134-T137 VanDerWaalsContact O-N 3.15Å; P134-T137 PolarHBondContact O-OG1 2.87Å; Q135-T137 VanDerWaalsContact C-N 3.33Å; Q135-T137 PolarHBondContact O-N 3.47Å |
| 138 | S | 38.3 | Very low | 46.1 | Very low | 44 Ų | 44 | 110.1 Ų | 110.1 | 31% | 0.308 | 60% | 0.596 | S | S | . | * | P | Polyproline II helix | trans | -96.1 | 128.3 | 177.3 | -69 | 0 | 0 | 0 | 0 | 110.1 | Q97 | Q97-S138 PolarHBondContact NE2-OG 3.03Š|
| 139 | V | 46.9 | Very low | 46.3 | Very low | 79 Ų | 79 | 112.8 Ų | 112.8 | 48% | 0.479 | 61% | 0.61 | S | S | . | * | P | Polyproline II helix | trans | -92.3 | 125.2 | 179.3 | -174.9 | 0 | 0 | 0 | 0 | 108.4 | F131 V133 I141 | F131-V139 HydrophobicContact CE2-CB 4.39Å; F131-V139 HydrophobicContact CE2-CG1 3.67Å; F131-V139 HydrophobicContact CE2-CG2 3.84Å; F131-V139 HydrophobicContact CZ-CG1 3.88Å; V133-V139 HydrophobicContact CB-CG2 4.33Å; V133-V139 HydrophobicContact CG1-CG2 3.72Å; V133-V139 HydrophobicContact CG2-CG2 3.57Å; V139-I141 HydrophobicContact CG1-CG1 4.17Å |
| 140 | K | 46.7 | Very low | 46.6 | Very low | 73 Ų | 73 | 114.5 Ų | 114.5 | 32% | 0.317 | 62% | 0.616 | S | S | . | * | trans | -117 | 112.2 | 174.8 | -173.2 | 179.4 | -172.9 | 171.5 | 0 | 109.1 | W91 R142 | W91-K140 HydrophobicContact CE3-CD 3.76Å; W91-K140 HydrophobicContact CZ3-CB 4.32Å; W91-K140 HydrophobicContact CZ3-CD 3.92Å; W91-K140 PolarHBondContact O-NZ 2.02Å; K140-R142 HydrophobicContact CG-CG 4.33Å | ||
| 141 | I | 59.3 | Low | 46.9 | Very low | 97 Ų | 97 | 114.7 Ų | 114.7 | 50% | 0.497 | 61% | 0.607 | S | S | . | * | trans | -94.9 | 126.1 | 175.5 | -59.6 | 169.4 | 0 | 0 | 0 | 107 | V139 L152 | V139-I141 HydrophobicContact CG1-CG1 4.17Å; I141-L152 HydrophobicContact CD1-CD2 3.57Å | ||
| 142 | R | 46.4 | Very low | 47 | Very low | 171 Ų | 171 | 114.8 Ų | 114.8 | 65% | 0.645 | 61% | 0.612 | S | S | * | * | trans | -114.4 | 138.3 | 175.6 | -57.3 | -172.4 | 96.8 | -176.6 | 3.5 | 108.7 | E101 K140 | E101-R142 IonicContact OE1-NH1 3.72Å; K140-R142 HydrophobicContact CG-CG 4.33Å | ||
| 143 | Q | 52.4 | Low | 47.3 | Very low | 89 Ų | 89 | 114.2 Ų | 114.2 | 42% | 0.416 | 60% | 0.602 | S | S | . | * | trans | -111.3 | 133.5 | 174.7 | -179 | 177.7 | 7.2 | 0 | 0 | 108.5 | S147 L148 I150 | Q143-S147 PolarHBondContact NE2-O 2.99Å; Q143-L148 PolarHBondContact NE2-O 2.86Å; Q143-I150 HydrophobicContact CB-CD1 4.2Å; Q143-I150 HydrophobicContact CG-CD1 4.09Å; Q143-I150 HydrophobicContact CG-CG1 4.31Å | ||
| 144 | D | 44.5 | Very low | 47 | Very low | 141 Ų | 141 | 121.5 Ų | 121.5 | 75% | 0.754 | 63% | 0.628 | S | S | * | * | trans | -82.9 | 135.6 | 170.7 | -154.2 | -18.5 | 0 | 0 | 0 | 109.2 | N146 | D144-N146 PolarHBondContact O-N 3.25Š| ||
| 145 | A | 44.9 | Very low | 47 | Very low | 95 Ų | 95 | 120.5 Ų | 120.5 | 79% | 0.785 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.7 | 5.1 | -158.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 146 | N | 54.9 | Low | 47.1 | Very low | 150 Ų | 150 | 116.2 Ų | 116.2 | 80% | 0.802 | 61% | 0.607 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.9 | 0.5 | -173 | -72 | 23 | 0 | 0 | 0 | 114.4 | D144 | D144-N146 PolarHBondContact O-N 3.25Š|
| 147 | S | 48.6 | Very low | 47.1 | Very low | 89 Ų | 89 | 113 Ų | 113 | 62% | 0.622 | 60% | 0.602 | S | S | * | * | S | Bend | trans | -149.7 | 109 | -178.6 | -69.4 | 0 | 0 | 0 | 0 | 112.3 | Q143 | Q143-S147 PolarHBondContact NE2-O 2.99Š|
| 148 | L | 51.5 | Low | 47.2 | Very low | 167 Ų | 167 | 115.8 Ų | 115.8 | 87% | 0.874 | 62% | 0.618 | S | S | * | * | trans | 32.2 | 117.2 | 157.5 | -67.2 | 163.3 | 0 | 0 | 0 | 117.8 | Q143 I150 | Q143-L148 PolarHBondContact NE2-O 2.86Å; L148-I150 PolarHBondContact O-N 2.84Å | ||
| 149 | L | 48.1 | Very low | 47.7 | Very low | 154 Ų | 154 | 114.7 Ų | 114.7 | 81% | 0.806 | 61% | 0.614 | S | S | * | * | trans | -28.2 | 114 | 173.1 | -66.3 | 163 | 0 | 0 | 0 | 113.5 | L151 | L149-L151 PolarHBondContact O-N 2.79Š| ||
| 150 | I | 50.2 | Low | 47.7 | Very low | 95 Ų | 95 | 116 Ų | 116 | 49% | 0.487 | 61% | 0.614 | S | S | . | * | trans | -78.8 | 108.9 | 170.1 | -55.9 | 175.4 | 0 | 0 | 0 | 107.3 | Q143 L148 L152 | Q143-I150 HydrophobicContact CB-CD1 4.2Å; Q143-I150 HydrophobicContact CG-CD1 4.09Å; Q143-I150 HydrophobicContact CG-CG1 4.31Å; L148-I150 PolarHBondContact O-N 2.84Å; I150-L152 HydrophobicContact CB-CD1 4.3Å; I150-L152 HydrophobicContact CG2-CD1 3.6Å; I150-L152 HydrophobicContact CG2-CG 4.47Å; I150-L152 PolarHBondContact O-N 3.44Å | ||
| 151 | L | 48.2 | Very low | 47.5 | Very low | 120 Ų | 120 | 120 Ų | 120 | 63% | 0.628 | 63% | 0.633 | S | S | * | * | trans | -83.7 | 109.8 | 171.8 | -66.1 | 168.7 | 0 | 0 | 0 | 108.7 | L149 W153 | L149-L151 PolarHBondContact O-N 2.79Å; L151-W153 HydrophobicContact CB-CZ2 4.1Å; L151-W153 HydrophobicContact CD1-CZ2 3.97Å; L151-W153 HydrophobicContact CG-CZ2 4.5Å | ||
| 152 | L | 47.8 | Very low | 46.8 | Very low | 119 Ų | 119 | 121.9 Ų | 121.9 | 62% | 0.623 | 64% | 0.64 | S | S | * | * | trans | -91.3 | 126.6 | 170.9 | -78.7 | 90.4 | 0 | 0 | 0 | 109.7 | I141 I150 | I141-L152 HydrophobicContact CD1-CD2 3.57Å; I150-L152 HydrophobicContact CB-CD1 4.3Å; I150-L152 HydrophobicContact CG2-CD1 3.6Å; I150-L152 HydrophobicContact CG2-CG 4.47Å; I150-L152 PolarHBondContact O-N 3.44Å | ||
| 153 | W | 45.3 | Very low | 46.6 | Very low | 185 Ų | 185 | 117.1 Ų | 117.1 | 70% | 0.701 | 63% | 0.632 | S | S | * | * | trans | -112.4 | 130.7 | 177.4 | -51.6 | 89.5 | 0 | 0 | 0 | 109.1 | L151 V155 | L151-W153 HydrophobicContact CB-CZ2 4.1Å; L151-W153 HydrophobicContact CD1-CZ2 3.97Å; L151-W153 HydrophobicContact CG-CZ2 4.5Å; W153-V155 HydrophobicContact CB-CG1 4.46Å; W153-V155 PolarHBondContact O-N 3.17Å | ||
| 154 | K | 39.9 | Very low | 46.5 | Very low | 218 Ų | 218 | 115.5 Ų | 115.5 | 95% | 0.948 | 63% | 0.631 | S | S | * | * | trans | -76.9 | 112.3 | 170.2 | -177.3 | -178 | 177.3 | -177.1 | 0 | 108 | ||||
| 155 | V | 44.4 | Very low | 46.5 | Very low | 66 Ų | 66 | 114 Ų | 114 | 40% | 0.4 | 62% | 0.622 | S | S | . | * | trans | -108.5 | 140.4 | 177.3 | -62.9 | 0 | 0 | 0 | 0 | 110.2 | W153 F160 S164 | W153-V155 HydrophobicContact CB-CG1 4.46Å; W153-V155 PolarHBondContact O-N 3.17Å; V155-F160 HydrophobicContact CG2-CB 4.3Å; V155-F160 HydrophobicContact CG2-CD2 4.4Å; V155-S164 WeakPolarHBondContact CG1-OG 3.06Å | ||
| 156 | T | 43.4 | Very low | 46 | Very low | 95 Ų | 95 | 116.1 Ų | 116.1 | 58% | 0.583 | 62% | 0.619 | S | S | * | * | trans | -74.7 | 160.5 | 170.7 | 59.7 | 0 | 0 | 0 | 0 | 109.8 | T158 G159 F160 | T156-T158 PolarHBondContact O-N 2.98Å; T156-G159 PolarHBondContact O-N 3.26Å; T156-G159 PolarHBondContact OG1-N 3.38Å; T156-G159 VanDerWaalsContact OG1-N 3.13Å; T156-F160 PolarHBondContact O-N 3.11Å | ||
| 157 | A | 44.6 | Very low | 45.2 | Very low | 85 Ų | 85 | 116.6 Ų | 116.6 | 70% | 0.702 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -55.6 | -37.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q161 | A157-Q161 WeakPolarHBondContact O-CG 3Å; A157-Q161 PolarHBondContact O-N 2.97Å |
| 158 | T | 45.9 | Very low | 44.8 | Very low | 99 Ų | 99 | 115.4 Ų | 115.4 | 61% | 0.607 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -68.5 | -42.3 | 174.7 | -15.9 | 0 | 0 | 0 | 0 | 112.2 | T156 F160 Q161 Q162 | T156-T158 PolarHBondContact O-N 2.98Å; T158-F160 VanDerWaalsContact C-N 3.29Å; T158-F160 PolarHBondContact O-N 3.17Å; T158-Q161 PolarHBondContact O-N 3.11Å; T158-Q162 PolarHBondContact O-N 3.21Å |
| 159 | G | 47.8 | Very low | 44 | Very low | 21 Ų | 21 | 118.1 Ų | 118.1 | 22% | 0.216 | 62% | 0.622 | C | S | . | * | H | α-helix | trans | -67.8 | -26.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | T156 S164 | T156-G159 PolarHBondContact O-N 3.26Å; T156-G159 PolarHBondContact OG1-N 3.38Å; T156-G159 VanDerWaalsContact OG1-N 3.13Å; G159-S164 PolarHBondContact O-OG 3.02Å |
| 160 | F | 47.6 | Very low | 43.2 | Very low | 107 Ų | 107 | 115.8 Ų | 115.8 | 47% | 0.469 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -70.7 | -41.4 | 171.9 | -178.6 | -97.9 | 0 | 0 | 0 | 112 | L128 V155 T156 T158 Q162 | L128-F160 HydrophobicContact CD2-CE1 4.43Å; L128-F160 HydrophobicContact CD2-CE2 3.31Å; L128-F160 HydrophobicContact CD2-CZ 3.26Å; V155-F160 HydrophobicContact CG2-CB 4.3Å; V155-F160 HydrophobicContact CG2-CD2 4.4Å; T156-F160 PolarHBondContact O-N 3.11Å; T158-F160 VanDerWaalsContact C-N 3.29Å; T158-F160 PolarHBondContact O-N 3.17Å; F160-Q162 PolarHBondContact O-N 3.48Å |
| 161 | Q | 42.6 | Very low | 42 | Very low | 157 Ų | 157 | 117.9 Ų | 117.9 | 73% | 0.734 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -69.8 | -18.8 | 178.9 | -68 | -68.3 | -46.9 | 0 | 0 | 113.5 | A157 T158 | A157-Q161 WeakPolarHBondContact O-CG 3Å; A157-Q161 PolarHBondContact O-N 2.97Å; T158-Q161 PolarHBondContact O-N 3.11Å |
| 162 | Q | 44 | Very low | 41.1 | Very low | 137 Ų | 137 | 117.2 Ų | 117.2 | 64% | 0.64 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.6 | 6.1 | -175.6 | -76 | -177.1 | -15.4 | 0 | 0 | 115.3 | T158 F160 | T158-Q162 PolarHBondContact O-N 3.21Å; F160-Q162 PolarHBondContact O-N 3.48Å |
| 163 | C | 43.1 | Very low | 40.1 | Very low | 71 Ų | 71 | 117.4 Ų | 117.4 | 48% | 0.48 | 65% | 0.645 | S | S | . | * | trans | 60.6 | 96.5 | -170.7 | -83 | 0 | 0 | 0 | 0 | 111.6 | C115 L165 | C115-C163 HydrophobicContact CB-CB 4.08Å; C115-C163 VanDerWaalsContact SG-CA 3.55Å; C115-C163 WeakPolarHBondContact SG-CB 3.39Å; C163-L165 PolarHBondContact O-N 2.93Å | ||
| 164 | S | 49.1 | Very low | 39.3 | Very low | 54 Ų | 54 | 116.9 Ų | 116.9 | 38% | 0.378 | 66% | 0.655 | S | S | . | * | S | Bend | trans | -66.2 | 92.4 | -171.7 | -59 | 0 | 0 | 0 | 0 | 113.7 | V155 G159 | V155-S164 WeakPolarHBondContact CG1-OG 3.06Å; G159-S164 PolarHBondContact O-OG 3.02Å |
| 165 | L | 44 | Very low | 39 | Very low | 110 Ų | 110 | 119.2 Ų | 119.2 | 58% | 0.576 | 67% | 0.669 | S | S | * | * | trans | -145.6 | 23.6 | 159.1 | -100.1 | 172.8 | 0 | 0 | 0 | 112.7 | C163 | C163-L165 PolarHBondContact O-N 2.93Š| ||
| 166 | I | 34.4 | Very low | 38.8 | Very low | 139 Ų | 139 | 121.9 Ų | 121.9 | 71% | 0.713 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -100.4 | -13.1 | -176.2 | -49.6 | -178.1 | 0 | 0 | 0 | 113.3 | ||
| 167 | D | 39.7 | Very low | 38.5 | Very low | 160 Ų | 160 | 123.3 Ų | 123.3 | 86% | 0.856 | 69% | 0.688 | S | S | * | * | trans | -114.7 | 38.7 | 171.3 | -79.4 | -41.7 | 0 | 0 | 0 | 113.4 | R169 | D167-R169 PolarHBondContact O-N 2.04Š| ||
| 168 | G | 40.3 | Very low | 38.2 | Very low | 65 Ų | 65 | 125.4 Ų | 125.4 | 67% | 0.67 | 69% | 0.687 | S | S | * | * | trans | -67.5 | 56.9 | 169.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | S170 | G168-S170 PolarHBondContact O-N 3.15Š| ||
| 169 | R | 33.3 | Very low | 37.7 | Very low | 223 Ų | 223 | 126.9 Ų | 126.9 | 84% | 0.842 | 69% | 0.692 | S | S | * | * | trans | -80.5 | 105.6 | 163.9 | -89.1 | -167.5 | -175.1 | -172.5 | 3.9 | 109.1 | D167 V171 | D167-R169 PolarHBondContact O-N 2.04Å; R169-V171 PolarHBondContact O-N 2.94Å; R169-V171 VanDerWaalsContact O-N 3.13Å | ||
| 170 | S | 31.3 | Very low | 37.1 | Very low | 105 Ų | 105 | 133.6 Ų | 133.6 | 73% | 0.734 | 72% | 0.721 | S | S | * | * | trans | -56.6 | 111.2 | 159.2 | 53.1 | 0 | 0 | 0 | 0 | 109 | G168 T172 | G168-S170 PolarHBondContact O-N 3.15Å; S170-T172 PolarHBondContact O-N 3.16Å | ||
| 171 | V | 26.1 | Very low | 36.4 | Very low | 139 Ų | 139 | 135.3 Ų | 135.3 | 84% | 0.842 | 74% | 0.738 | S | S | * | * | trans | -76.9 | 104 | 164.8 | -172.8 | 0 | 0 | 0 | 0 | 106.2 | R169 | R169-V171 PolarHBondContact O-N 2.94Å; R169-V171 VanDerWaalsContact O-N 3.13Å | ||
| 172 | T | 28.7 | Very low | 35.9 | Very low | 107 Ų | 107 | 133.8 Ų | 133.8 | 66% | 0.656 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 135.6 | 171 | 33.6 | 0 | 0 | 0 | 0 | 109.7 | S170 L174 | S170-T172 PolarHBondContact O-N 3.16Å; T172-L174 PolarHBondContact O-N 3.49Å |
| 173 | P | 27.1 | Very low | 35.3 | Very low | 123 Ų | 123 | 133.5 Ų | 133.5 | 80% | 0.799 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 119.8 | 168.5 | 28 | -30 | 0 | 0 | 0 | 108 | Q175 | P173-Q175 PolarHBondContact O-N 3.46Š|
| 174 | L | 28.5 | Very low | 34.7 | Very low | 174 Ų | 174 | 138.8 Ų | 138.8 | 91% | 0.911 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -61 | 123.6 | 166.6 | -76.3 | 157 | 0 | 0 | 0 | 107.8 | T172 | T172-L174 PolarHBondContact O-N 3.49Š|
| 175 | Q | 33.7 | Very low | 33.4 | Very low | 266 Ų | 266 | 146.5 Ų | 146.5 | 100% | 1.243 | 80% | 0.804 | S | S | * | * | trans | -77.5 | 0 | 163.9 | -80.5 | -176.2 | -68.8 | 0 | 0 | 110.4 | P173 | P173-Q175 PolarHBondContact O-N 3.46Š|
Retrieved 175 of 175 residues in 177.9 ms
(Link to these results)