| 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 | 62.2 | Low | 81.3 | Confident | 209 Ų | 209 | 111.5 Ų | 111.5 | 100% | 1.03 | 62% | 0.617 | S | S | * | * | 0 | -50.1 | 0 | -49.8 | -173.5 | -63.8 | 0 | 0 | 111.5 | P3 | M1-P3 VanDerWaalsContact C-CD 3.5Š| |||
| 2 | T | 72.2 | Confident | 81.4 | Confident | 115 Ų | 115 | 111.5 Ų | 111.5 | 71% | 0.706 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -59.5 | -39.6 | 178.1 | 41.6 | 0 | 0 | 0 | 0 | 117 | L4 L5 T6 | T2-L4 PolarHBondContact O-N 3.21Å; T2-L5 PolarHBondContact O-N 3.42Å; T2-T6 PolarHBondContact O-N 3.37Å; T2-T6 PolarHBondContact O-OG1 3.49Å |
| 3 | P | 79.5 | Confident | 81 | Confident | 83 Ų | 83 | 116.1 Ų | 116.1 | 54% | 0.539 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -73.4 | -29 | -174.4 | 28.8 | -35.9 | 0 | 0 | 0 | 113 | M1 T6 L7 | M1-P3 VanDerWaalsContact C-CD 3.5Å; P3-T6 VanDerWaalsContact C-OG1 3.28Å; P3-T6 VanDerWaalsContact CA-OG1 3.29Å; P3-T6 WeakPolarHBondContact CA-OG1 3.36Å; P3-T6 PolarHBondContact O-OG1 3.21Å; P3-L7 PolarHBondContact O-N 3.1Å; P3-L7 VanDerWaalsContact O-N 3.1Å |
| 4 | L | 85.2 | Confident | 80.1 | Confident | 123 Ų | 123 | 112.1 Ų | 112.1 | 64% | 0.644 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -68.8 | -43.5 | 178 | -162 | 86.3 | 0 | 0 | 0 | 110.3 | T2 T6 L7 I8 | T2-L4 PolarHBondContact O-N 3.21Å; L4-T6 VanDerWaalsContact C-N 3.35Å; L4-T6 PolarHBondContact O-N 3.47Å; L4-L7 WeakPolarHBondContact O-CB 3.46Å; L4-L7 PolarHBondContact O-N 2.78Å; L4-I8 HydrophobicContact CD2-CD1 4.36Å; L4-I8 HydrophobicContact CG-CD1 4.23Å; L4-I8 WeakPolarHBondContact O-CD1 3.29Å; L4-I8 VanDerWaalsContact O-CG1 3.25Å; L4-I8 WeakPolarHBondContact O-CG1 3.35Å; L4-I8 PolarHBondContact O-N 3.47Å |
| 5 | L | 84.1 | Confident | 79.4 | Confident | 115 Ų | 115 | 111.2 Ų | 111.2 | 60% | 0.602 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -62.7 | -41.8 | 178.3 | -155.5 | 98.9 | 0 | 0 | 0 | 111.5 | T2 L7 I8 L9 | T2-L5 PolarHBondContact O-N 3.42Å; L5-L7 VanDerWaalsContact C-N 3.33Å; L5-L7 PolarHBondContact O-N 3.27Å; L5-I8 PolarHBondContact O-N 3.32Å; L5-L9 HydrophobicContact CD2-CD1 4.25Å; L5-L9 WeakPolarHBondContact O-CD1 3.4Å; L5-L9 WeakPolarHBondContact O-CG 3.34Å; L5-L9 PolarHBondContact O-N 3.11Å; L5-L9 VanDerWaalsContact O-N 3.08Å |
| 6 | T | 84 | Confident | 78.3 | Confident | 80 Ų | 80 | 111.3 Ų | 111.3 | 49% | 0.491 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -64.8 | -36.9 | 175.5 | 47.7 | 0 | 0 | 0 | 0 | 112.3 | T2 P3 L4 L9 V10 | T2-T6 PolarHBondContact O-N 3.37Å; T2-T6 PolarHBondContact O-OG1 3.49Å; P3-T6 VanDerWaalsContact C-OG1 3.28Å; P3-T6 VanDerWaalsContact CA-OG1 3.29Å; P3-T6 WeakPolarHBondContact CA-OG1 3.36Å; P3-T6 PolarHBondContact O-OG1 3.21Å; L4-T6 VanDerWaalsContact C-N 3.35Å; L4-T6 PolarHBondContact O-N 3.47Å; T6-L9 PolarHBondContact O-N 3.11Å; T6-V10 WeakPolarHBondContact O-CG2 3.39Å; T6-V10 PolarHBondContact O-N 3.43Å; T6-V10 VanDerWaalsContact O-N 3.11Å |
| 7 | L | 86.7 | Confident | 77.2 | Confident | 119 Ų | 119 | 114.6 Ų | 114.6 | 62% | 0.623 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -63.9 | -44.6 | 176.1 | -127.2 | 99.9 | 0 | 0 | 0 | 111.3 | P3 L4 L5 L9 V10 V11 | P3-L7 PolarHBondContact O-N 3.1Å; P3-L7 VanDerWaalsContact O-N 3.1Å; L4-L7 WeakPolarHBondContact O-CB 3.46Å; L4-L7 PolarHBondContact O-N 2.78Å; L5-L7 VanDerWaalsContact C-N 3.33Å; L5-L7 PolarHBondContact O-N 3.27Å; L7-L9 VanDerWaalsContact C-N 3.34Å; L7-L9 PolarHBondContact O-N 3.47Å; L7-V10 PolarHBondContact O-N 3.44Å; L7-V11 WeakPolarHBondContact O-CG2 3.19Å; L7-V11 PolarHBondContact O-N 3.17Å |
| 8 | I | 85.9 | Confident | 76.3 | Confident | 86 Ų | 86 | 112.3 Ų | 112.3 | 44% | 0.441 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -62.9 | -43 | -179.3 | -65.6 | 159.9 | 0 | 0 | 0 | 110.5 | L4 L5 V11 L12 | L4-I8 HydrophobicContact CD2-CD1 4.36Å; L4-I8 HydrophobicContact CG-CD1 4.23Å; L4-I8 WeakPolarHBondContact O-CD1 3.29Å; L4-I8 VanDerWaalsContact O-CG1 3.25Å; L4-I8 WeakPolarHBondContact O-CG1 3.35Å; L4-I8 PolarHBondContact O-N 3.47Å; L5-I8 PolarHBondContact O-N 3.32Å; I8-V11 PolarHBondContact O-N 3.48Å; I8-L12 HydrophobicContact CG2-CD1 3.73Å; I8-L12 WeakPolarHBondContact O-CD1 3.37Å; I8-L12 PolarHBondContact O-N 3.12Å |
| 9 | L | 86.4 | Confident | 75.9 | Confident | 102 Ų | 102 | 116.5 Ų | 116.5 | 53% | 0.534 | 66% | 0.656 | S | S | . | * | H | α-helix | trans | -62.9 | -42.8 | 177.6 | -73.6 | 161.2 | 0 | 0 | 0 | 112.1 | L5 T6 L7 V11 L12 M13 | L5-L9 HydrophobicContact CD2-CD1 4.25Å; L5-L9 WeakPolarHBondContact O-CD1 3.4Å; L5-L9 WeakPolarHBondContact O-CG 3.34Å; L5-L9 PolarHBondContact O-N 3.11Å; L5-L9 VanDerWaalsContact O-N 3.08Å; T6-L9 PolarHBondContact O-N 3.11Å; L7-L9 VanDerWaalsContact C-N 3.34Å; L7-L9 PolarHBondContact O-N 3.47Å; L9-V11 VanDerWaalsContact C-N 3.34Å; L9-V11 PolarHBondContact O-N 3.23Å; L9-L12 PolarHBondContact O-N 3.36Å; L9-M13 WeakPolarHBondContact O-CG 3.45Å; L9-M13 PolarHBondContact O-N 3.08Å; L9-M13 VanDerWaalsContact O-N 3.11Å |
| 10 | V | 84.4 | Confident | 75.8 | Confident | 108 Ų | 108 | 113.2 Ų | 113.2 | 66% | 0.655 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -63.1 | -41.3 | 176.8 | 171.2 | 0 | 0 | 0 | 0 | 111.3 | T6 L7 M13 G14 | T6-V10 WeakPolarHBondContact O-CG2 3.39Å; T6-V10 PolarHBondContact O-N 3.43Å; T6-V10 VanDerWaalsContact O-N 3.11Å; L7-V10 PolarHBondContact O-N 3.44Å; V10-M13 PolarHBondContact O-N 3.01Å; V10-G14 PolarHBondContact O-N 3.46Å |
| 11 | V | 84.2 | Confident | 76.5 | Confident | 86 Ų | 86 | 110.5 Ų | 110.5 | 52% | 0.521 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -62.9 | -47.5 | 177 | 171.3 | 0 | 0 | 0 | 0 | 110.9 | L7 I8 L9 M13 G14 L15 | L7-V11 WeakPolarHBondContact O-CG2 3.19Å; L7-V11 PolarHBondContact O-N 3.17Å; I8-V11 PolarHBondContact O-N 3.48Å; L9-V11 VanDerWaalsContact C-N 3.34Å; L9-V11 PolarHBondContact O-N 3.23Å; V11-M13 VanDerWaalsContact C-N 3.31Å; V11-M13 PolarHBondContact O-N 3.34Å; V11-G14 PolarHBondContact O-N 2.99Å; V11-G14 VanDerWaalsContact O-N 3.12Å; V11-L15 HydrophobicContact CG1-CD1 3.97Å; V11-L15 WeakPolarHBondContact O-CD1 3.25Å; V11-L15 PolarHBondContact O-N 3.04Å |
| 12 | L | 81.9 | Confident | 78.1 | Confident | 112 Ų | 112 | 104.9 Ų | 104.9 | 59% | 0.586 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -59.1 | -38 | 178.1 | -98.7 | 103.1 | 0 | 0 | 0 | 113.5 | I8 L9 G14 L15 | I8-L12 HydrophobicContact CG2-CD1 3.73Å; I8-L12 WeakPolarHBondContact O-CD1 3.37Å; I8-L12 PolarHBondContact O-N 3.12Å; L9-L12 PolarHBondContact O-N 3.36Å; L12-G14 VanDerWaalsContact C-N 3.28Å; L12-G14 PolarHBondContact O-N 3.32Å; L12-L15 PolarHBondContact O-N 3.47Å |
| 13 | M | 76.8 | Confident | 79.2 | Confident | 171 Ų | 171 | 99.6 Ų | 99.6 | 84% | 0.842 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -75 | -20.3 | 179.8 | -61.8 | -68.4 | -80.7 | 0 | 0 | 112.8 | L9 V10 V11 | L9-M13 WeakPolarHBondContact O-CG 3.45Å; L9-M13 PolarHBondContact O-N 3.08Å; L9-M13 VanDerWaalsContact O-N 3.11Å; V10-M13 PolarHBondContact O-N 3.01Å; V11-M13 VanDerWaalsContact C-N 3.31Å; V11-M13 PolarHBondContact O-N 3.34Å |
| 14 | G | 68.4 | Low | 80.1 | Confident | 60 Ų | 60 | 99.1 Ų | 99.1 | 62% | 0.619 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -93.4 | -6.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | V10 V11 L12 P16 | V10-G14 PolarHBondContact O-N 3.46Å; V11-G14 PolarHBondContact O-N 2.99Å; V11-G14 VanDerWaalsContact O-N 3.12Å; L12-G14 VanDerWaalsContact C-N 3.28Å; L12-G14 PolarHBondContact O-N 3.32Å; G14-P16 VanDerWaalsContact O-CD 3.23Å; G14-P16 WeakPolarHBondContact O-CD 3.23Å |
| 15 | L | 69.3 | Low | 80.6 | Confident | 99 Ų | 99 | 95.3 Ų | 95.3 | 52% | 0.518 | 54% | 0.541 | S | S | . | . | S | Bend | trans | -72.1 | 113.6 | 179.6 | -94.9 | 136.4 | 0 | 0 | 0 | 109.6 | V11 L12 L17 | V11-L15 HydrophobicContact CG1-CD1 3.97Å; V11-L15 WeakPolarHBondContact O-CD1 3.25Å; V11-L15 PolarHBondContact O-N 3.04Å; L12-L15 PolarHBondContact O-N 3.47Å; L15-L17 PolarHBondContact O-N 3.05Å |
| 16 | P | 61.2 | Low | 81.3 | Confident | 112 Ų | 112 | 91 Ų | 91 | 73% | 0.727 | 52% | 0.521 | S | S | * | . | trans | -65.9 | 111 | 175.7 | 26.8 | -31.5 | 0 | 0 | 0 | 108.6 | G14 A18 | G14-P16 VanDerWaalsContact O-CD 3.23Å; G14-P16 WeakPolarHBondContact O-CD 3.23Å; P16-A18 PolarHBondContact O-N 2.98Å; P16-A18 VanDerWaalsContact O-N 3.11Å | ||
| 17 | L | 60.3 | Low | 81.9 | Confident | 168 Ų | 168 | 90.3 Ų | 90.3 | 88% | 0.88 | 52% | 0.523 | S | S | * | . | trans | -69.1 | -1 | 175.6 | -114.9 | 83.6 | 0 | 0 | 0 | 113.5 | L15 Q19 | L15-L17 PolarHBondContact O-N 3.05Å; L17-Q19 PolarHBondContact O-N 3.39Å; L17-Q19 VanDerWaalsContact O-N 3.09Å | ||
| 18 | A | 61.7 | Low | 82.4 | Confident | 74 Ų | 74 | 91.2 Ų | 91.2 | 61% | 0.612 | 52% | 0.519 | S | S | * | . | trans | -80.6 | 93 | -177.3 | 0 | 0 | 0 | 0 | 0 | 110 | P16 A20 | P16-A18 PolarHBondContact O-N 2.98Å; P16-A18 VanDerWaalsContact O-N 3.11Å; A18-A20 PolarHBondContact O-N 3.49Å | ||
| 19 | Q | 67.8 | Low | 82.8 | Confident | 192 Ų | 192 | 92.8 Ų | 92.8 | 90% | 0.897 | 53% | 0.529 | S | S | * | . | trans | -64 | 103.2 | 161.6 | -61.2 | -163.1 | 12.2 | 0 | 0 | 107.6 | L17 L21 | L17-Q19 PolarHBondContact O-N 3.39Å; L17-Q19 VanDerWaalsContact O-N 3.09Å; Q19-L21 PolarHBondContact O-N 3.09Å | ||
| 20 | A | 73.6 | Confident | 83 | Confident | 49 Ų | 49 | 88.5 Ų | 88.5 | 41% | 0.405 | 51% | 0.509 | S | S | . | . | trans | -79.9 | 108.4 | -177.2 | 0 | 0 | 0 | 0 | 0 | 107.8 | A18 R38 | A18-A20 PolarHBondContact O-N 3.49Å; A20-R38 HydrophobicContact CB-CG 4.46Å; A20-R38 PolarHBondContact O-NH1 3.01Å | ||
| 21 | L | 91.5 | Very high | 83.3 | Confident | 57 Ų | 57 | 88.6 Ų | 88.6 | 30% | 0.298 | 51% | 0.506 | S | S | . | . | trans | -77.5 | 127.4 | -176.8 | -171.2 | 72 | 0 | 0 | 0 | 110.2 | Q19 C39 V43 A44 | Q19-L21 PolarHBondContact O-N 3.09Å; L21-C39 HydrophobicContact CB-CB 4.36Å; L21-C39 WeakPolarHBondContact O-CB 3.31Å; L21-C39 PolarHBondContact O-N 3.25Å; L21-V43 HydrophobicContact CD2-CG1 4.04Å; L21-A44 VanDerWaalsContact CD2-C 3.41Å | ||
| 22 | D | 95.1 | Very high | 83.8 | Confident | 91 Ų | 91 | 87.6 Ų | 87.6 | 49% | 0.487 | 50% | 0.498 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 121.7 | 174.7 | -75.5 | -66.1 | 0 | 0 | 0 | 109.9 | R38 | D22-R38 WeakPolarHBondContact OD1-CA 3.21Å; D22-R38 VanDerWaalsContact OD1-CD 3.31Å; D22-R38 WeakPolarHBondContact OD1-CD 3.09Å; D22-R38 IonicContact OD1-NE 3.85Å; D22-R38 IonicContact OD1-NH1 3.97Å; D22-R38 IonicContact OD2-CZ 3.63Å; D22-R38 IonicContact OD2-NE 3.97Å; D22-R38 IonicContact OD2-NH1 2.78Å; D22-R38 PolarHBondContact OD2-NH1 2.98Å |
| 23 | C | 96.1 | Very high | 84.5 | Confident | 5 Ų | 5 | 82.9 Ų | 82.9 | 3% | 0.034 | 47% | 0.474 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 163.8 | 179.4 | -62.5 | 0 | 0 | 0 | 0 | 110.6 | P36 M37 C39 C46 | C23-P36 CarbonylContact O-C 3.59Å; C23-P36 WeakPolarHBondContact O-CA 3.11Å; C23-M37 PolarHBondContact N-O 3.11Å; C23-M37 PolarHBondContact O-N 2.78Å; C23-M37 VanDerWaalsContact O-O 3.07Å; C23-C39 VanDerWaalsContact CB-SG 3.58Å; C23-C39 PolarHBondContact SG-SG 2.97Å; C23-C46 HydrophobicContact CB-CB 3.81Å; C23-C46 WeakPolarHBondContact CB-SG 3.34Å; C23-C46 WeakPolarHBondContact SG-CA 3.45Å; C23-C46 WeakPolarHBondContact SG-CB 3.46Å; C23-C46 CovalentContact SG-SG 2.03Å; C23-C46 PolarHBondContact SG-SG 2.85Å |
| 24 | H | 97.3 | Very high | 85.4 | Confident | 72 Ų | 72 | 82.1 Ų | 82.1 | 33% | 0.333 | 47% | 0.466 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 130.7 | 163.3 | -64 | -68.9 | 0 | 0 | 0 | 110 | N35 K62 | H24-N35 CarbonylContact C-O 3.6Å; H24-N35 VanDerWaalsContact CA-O 3.27Å; H24-N35 WeakPolarHBondContact CA-O 3.41Å; H24-N35 PolarHBondContact ND1-N 3.46Å; H24-K62 HydrophobicContact CB-CB 4.31Å; H24-K62 HydrophobicContact CB-CD 3.56Å; H24-K62 CarbonylContact O-C 3.57Å; H24-K62 WeakPolarHBondContact O-CB 3.41Å |
| 25 | V | 97 | Very high | 86.8 | Confident | 43 Ų | 43 | 82.6 Ų | 82.6 | 26% | 0.261 | 46% | 0.455 | S | S | . | . | trans | -125.2 | 98.5 | 177.9 | 179.3 | 0 | 0 | 0 | 0 | 109.4 | N35 M37 K62 C64 | V25-N35 PolarHBondContact N-O 3.48Å; V25-N35 WeakPolarHBondContact O-CB 3.37Å; V25-N35 PolarHBondContact O-ND2 3.22Å; V25-M37 HydrophobicContact CB-CB 4.49Å; V25-M37 HydrophobicContact CB-CE 3.41Å; V25-M37 VanDerWaalsContact CB-CE 3.41Å; V25-M37 HydrophobicContact CG1-CE 3.65Å; V25-M37 HydrophobicContact CG2-CB 4.34Å; V25-M37 HydrophobicContact CG2-CE 4.46Å; V25-M37 WeakPolarHBondContact O-CE 3.1Å; V25-K62 WeakPolarHBondContact CA-O 3.33Å; V25-C64 VanDerWaalsContact CG2-SG 3.53Å | ||
| 26 | C | 97.6 | Very high | 88.1 | Confident | 26 Ų | 26 | 82.4 Ų | 82.4 | 18% | 0.176 | 46% | 0.459 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.4 | 164.1 | -173 | 54.2 | 0 | 0 | 0 | 0 | 111.9 | C33 N35 S61 K62 | C26-C33 HydrophobicContact CB-CB 3.85Å; C26-C33 WeakPolarHBondContact CB-SG 3.4Å; C26-C33 WeakPolarHBondContact SG-CB 3.39Å; C26-C33 PolarHBondContact SG-O 3.27Å; C26-C33 VanDerWaalsContact SG-O 3.39Å; C26-C33 CovalentContact SG-SG 2.04Å; C26-C33 PolarHBondContact SG-SG 2.82Å; C26-N35 HydrophobicContact CB-CB 3.85Å; C26-S61 CarbonylContact O-C 3.55Å; C26-S61 WeakPolarHBondContact O-CA 3.39Å; C26-K62 PolarHBondContact N-O 2.85Å; C26-K62 VanDerWaalsContact N-O 3.1Å; C26-K62 PolarHBondContact O-N 2.89Å |
| 27 | A | 96.6 | Very high | 89.7 | Confident | 65 Ų | 65 | 80.8 Ų | 80.8 | 54% | 0.537 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 137.2 | 168.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | V60 | A27-V60 WeakPolarHBondContact CA-O 3.33Å |
| 28 | Y | 96.8 | Very high | 91.3 | Very high | 137 Ų | 137 | 80.4 Ų | 80.4 | 54% | 0.537 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.3 | 145.3 | -179 | -176.7 | -114.4 | 0 | 0 | 0 | 111.8 | G30 N32 K59 V60 | Y28-G30 PolarHBondContact O-N 2.99Å; Y28-N32 WeakPolarHBondContact CD1-O 3.13Å; Y28-K59 CarbonylContact O-C 3.4Å; Y28-K59 WeakPolarHBondContact O-CA 3.48Å; Y28-K59 WeakPolarHBondContact O-CG 3.27Å; Y28-V60 PolarHBondContact N-O 2.98Å; Y28-V60 PolarHBondContact O-N 2.78Å |
| 29 | N | 95.1 | Very high | 92.9 | Very high | 120 Ų | 120 | 77.3 Ų | 77.3 | 64% | 0.642 | 40% | 0.404 | S | S | * | . | S | Bend | trans | -86.7 | 80.4 | 173.7 | -65.5 | -28.5 | 0 | 0 | 0 | 109.1 | M58 | N29-M58 CarbonylContact C-O 3.59Š|
| 30 | G | 91.7 | Very high | 94 | Very high | 12 Ų | 12 | 71.8 Ų | 71.8 | 12% | 0.124 | 38% | 0.384 | C | S | . | . | S | Bend | trans | 174.8 | -165.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | Y28 N32 M58 | Y28-G30 PolarHBondContact O-N 2.99Å; G30-N32 PolarHBondContact O-N 2.04Å; G30-M58 PolarHBondContact N-O 2.85Å |
| 31 | D | 90.4 | Very high | 94.7 | Very high | 109 Ų | 109 | 74.4 Ų | 74.4 | 58% | 0.583 | 41% | 0.406 | S | S | * | . | S | Bend | trans | -62.8 | -43.8 | -174.5 | -58.6 | -96.3 | 0 | 0 | 0 | 113.6 | M58 | D31-M58 HydrophobicContact CB-CE 3.84Å; D31-M58 WeakPolarHBondContact OD1-CE 3.45Å |
| 32 | N | 93.5 | Very high | 94.4 | Very high | 66 Ų | 66 | 79 Ų | 79 | 35% | 0.353 | 43% | 0.428 | S | S | . | . | trans | -154.6 | 163.2 | -172.1 | -151.9 | 7.8 | 0 | 0 | 0 | 112.5 | Y28 G30 F34 K62 | Y28-N32 WeakPolarHBondContact CD1-O 3.13Å; G30-N32 PolarHBondContact O-N 2.04Å; N32-F34 HydrophobicContact CB-CE2 4.3Å; N32-F34 HydrophobicContact CB-CZ 4.45Å; N32-F34 WeakPolarHBondContact ND2-CZ 3.47Å; N32-K62 WeakPolarHBondContact OD1-CE 3.32Å; N32-K62 PolarHBondContact OD1-NZ 3.19Å | ||
| 33 | C | 96.2 | Very high | 94.2 | Very high | 13 Ų | 13 | 75.3 Ų | 75.3 | 9% | 0.088 | 41% | 0.409 | C | S | . | . | trans | -142.1 | 151 | 171.7 | 67.8 | 0 | 0 | 0 | 0 | 110.1 | C26 V60 K62 | C26-C33 HydrophobicContact CB-CB 3.85Å; C26-C33 WeakPolarHBondContact CB-SG 3.4Å; C26-C33 WeakPolarHBondContact SG-CB 3.39Å; C26-C33 PolarHBondContact SG-O 3.27Å; C26-C33 VanDerWaalsContact SG-O 3.39Å; C26-C33 CovalentContact SG-SG 2.04Å; C26-C33 PolarHBondContact SG-SG 2.82Å; C33-V60 HydrophobicContact CB-CG1 4.08Å; C33-K62 WeakPolarHBondContact O-CE 2.82Å | ||
| 34 | F | 97.3 | Very high | 94 | Very high | 155 Ų | 155 | 77.9 Ų | 77.9 | 68% | 0.68 | 43% | 0.43 | S | S | * | . | trans | -130.3 | 114.5 | -176.5 | -59.4 | -86.5 | 0 | 0 | 0 | 109.8 | N32 | N32-F34 HydrophobicContact CB-CE2 4.3Å; N32-F34 HydrophobicContact CB-CZ 4.45Å; N32-F34 WeakPolarHBondContact ND2-CZ 3.47Å | ||
| 35 | N | 97.4 | Very high | 93.8 | Very high | 70 Ų | 70 | 80.6 Ų | 80.6 | 37% | 0.374 | 44% | 0.438 | S | S | . | . | trans | -153.3 | 82 | 172.9 | -172.8 | 25.8 | 0 | 0 | 0 | 109.3 | H24 V25 C26 M37 | H24-N35 CarbonylContact C-O 3.6Å; H24-N35 VanDerWaalsContact CA-O 3.27Å; H24-N35 WeakPolarHBondContact CA-O 3.41Å; H24-N35 PolarHBondContact ND1-N 3.46Å; V25-N35 PolarHBondContact N-O 3.48Å; V25-N35 WeakPolarHBondContact O-CB 3.37Å; V25-N35 PolarHBondContact O-ND2 3.22Å; C26-N35 HydrophobicContact CB-CB 3.85Å; N35-M37 WeakPolarHBondContact ND2-CE 3.41Å; N35-M37 PolarHBondContact O-N 3.2Å | ||
| 36 | P | 96.2 | Very high | 93.7 | Very high | 94 Ų | 94 | 81.5 Ų | 81.5 | 61% | 0.61 | 45% | 0.446 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -64.6 | 129.4 | -176.8 | 27.9 | -32.9 | 0 | 0 | 0 | 110.4 | C23 | C23-P36 CarbonylContact O-C 3.59Å; C23-P36 WeakPolarHBondContact O-CA 3.11Å |
| 37 | M | 94.8 | Very high | 93.5 | Very high | 78 Ų | 78 | 82.6 Ų | 82.6 | 38% | 0.384 | 45% | 0.449 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 146.5 | 179.9 | -69 | -155.4 | -103 | 0 | 0 | 110.5 | C23 V25 N35 | C23-M37 PolarHBondContact N-O 3.11Å; C23-M37 PolarHBondContact O-N 2.78Å; C23-M37 VanDerWaalsContact O-O 3.07Å; V25-M37 HydrophobicContact CB-CB 4.49Å; V25-M37 HydrophobicContact CB-CE 3.41Å; V25-M37 VanDerWaalsContact CB-CE 3.41Å; V25-M37 HydrophobicContact CG1-CE 3.65Å; V25-M37 HydrophobicContact CG2-CB 4.34Å; V25-M37 HydrophobicContact CG2-CE 4.46Å; V25-M37 WeakPolarHBondContact O-CE 3.1Å; N35-M37 WeakPolarHBondContact ND2-CE 3.41Å; N35-M37 PolarHBondContact O-N 3.2Å |
| 38 | R | 94.9 | Very high | 93.4 | Very high | 160 Ų | 160 | 83.1 Ų | 83.1 | 60% | 0.604 | 45% | 0.446 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 124.8 | 171.5 | -166.8 | 80.8 | 90.3 | 169.4 | 7.3 | 109.8 | A20 D22 | A20-R38 HydrophobicContact CB-CG 4.46Å; A20-R38 PolarHBondContact O-NH1 3.01Å; D22-R38 WeakPolarHBondContact OD1-CA 3.21Å; D22-R38 VanDerWaalsContact OD1-CD 3.31Å; D22-R38 WeakPolarHBondContact OD1-CD 3.09Å; D22-R38 IonicContact OD1-NE 3.85Å; D22-R38 IonicContact OD1-NH1 3.97Å; D22-R38 IonicContact OD2-CZ 3.63Å; D22-R38 IonicContact OD2-NE 3.97Å; D22-R38 IonicContact OD2-NH1 2.78Å; D22-R38 PolarHBondContact OD2-NH1 2.98Å |
| 39 | C | 93.5 | Very high | 93.1 | Very high | 10 Ų | 10 | 78.9 Ų | 78.9 | 7% | 0.068 | 43% | 0.434 | C | S | . | . | P | Polyproline II helix | trans | -77.4 | 153.8 | 174.9 | -62.7 | 0 | 0 | 0 | 0 | 112 | L21 C23 V43 C64 | L21-C39 HydrophobicContact CB-CB 4.36Å; L21-C39 WeakPolarHBondContact O-CB 3.31Å; L21-C39 PolarHBondContact O-N 3.25Å; C23-C39 VanDerWaalsContact CB-SG 3.58Å; C23-C39 PolarHBondContact SG-SG 2.97Å; C39-V43 HydrophobicContact CB-CB 3.96Å; C39-V43 HydrophobicContact CB-CG1 3.84Å; C39-C64 VanDerWaalsContact CA-SG 3.57Å; C39-C64 HydrophobicContact CB-CB 3.79Å; C39-C64 WeakPolarHBondContact CB-SG 3.06Å; C39-C64 WeakPolarHBondContact SG-CB 3.11Å; C39-C64 CovalentContact SG-SG 2.04Å; C39-C64 PolarHBondContact SG-SG 2.04Å |
| 40 | P | 91.7 | Very high | 92.9 | Very high | 75 Ų | 75 | 79.1 Ų | 79.1 | 49% | 0.487 | 43% | 0.426 | S | S | . | . | P | Polyproline II helix | trans | -59.6 | 152.2 | 170.7 | -20.7 | 32 | 0 | 0 | 0 | 112 | M42 V43 | P40-M42 HydrophobicContact CB-CG 4.31Å; P40-M42 PolarHBondContact O-N 2.98Å; P40-V43 WeakPolarHBondContact O-CB 3.42Å; P40-V43 PolarHBondContact O-N 2.97Å |
| 41 | A | 87.9 | Confident | 92.8 | Very high | 105 Ų | 105 | 81.2 Ų | 81.2 | 87% | 0.868 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | -21 | -176.5 | 0 | 0 | 0 | 0 | 0 | 115 | V43 | A41-V43 VanDerWaalsContact C-N 3.28Å; A41-V43 PolarHBondContact O-N 3.39Å |
| 42 | M | 85.4 | Confident | 92.7 | Very high | 153 Ų | 153 | 82.5 Ų | 82.5 | 75% | 0.754 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.1 | -5.6 | 177.6 | 70.7 | -174.6 | -166.3 | 0 | 0 | 114.1 | P40 | P40-M42 HydrophobicContact CB-CG 4.31Å; P40-M42 PolarHBondContact O-N 2.98Å |
| 43 | V | 91.9 | Very high | 92.3 | Very high | 14 Ų | 14 | 86.3 Ų | 86.3 | 9% | 0.085 | 45% | 0.445 | C | S | . | . | trans | -98.5 | 133.3 | -178.2 | 168.6 | 0 | 0 | 0 | 0 | 109.7 | L21 C39 P40 A41 Y45 C64 V65 | L21-V43 HydrophobicContact CD2-CG1 4.04Å; C39-V43 HydrophobicContact CB-CB 3.96Å; C39-V43 HydrophobicContact CB-CG1 3.84Å; P40-V43 WeakPolarHBondContact O-CB 3.42Å; P40-V43 PolarHBondContact O-N 2.97Å; A41-V43 VanDerWaalsContact C-N 3.28Å; A41-V43 PolarHBondContact O-N 3.39Å; V43-Y45 WeakPolarHBondContact CG1-O 3.31Å; V43-C64 HydrophobicContact CB-CB 4.4Å; V43-C64 HydrophobicContact CG1-CB 3.77Å; V43-C64 HydrophobicContact CG2-CB 4.05Å; V43-V65 WeakPolarHBondContact CG1-O 3.28Å | ||
| 44 | A | 91.4 | Very high | 92 | Very high | 59 Ų | 59 | 88.6 Ų | 88.6 | 49% | 0.488 | 46% | 0.458 | S | S | . | . | trans | -116.1 | -7.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | L21 | L21-A44 VanDerWaalsContact CD2-C 3.41Š| ||
| 45 | Y | 92.8 | Very high | 91.6 | Very high | 128 Ų | 128 | 87.7 Ų | 87.7 | 50% | 0.502 | 47% | 0.468 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 148.1 | -173.8 | -56.5 | -81.6 | 0 | 0 | 0 | 113.7 | V43 V65 P66 C68 | V43-Y45 WeakPolarHBondContact CG1-O 3.31Å; Y45-V65 PolarHBondContact N-O 3.08Å; Y45-V65 PolarHBondContact O-N 3.39Å; Y45-P66 WeakPolarHBondContact CD2-O 3.13Å; Y45-C68 HydrophobicContact CG-CB 4.33Å |
| 46 | C | 94.6 | Very high | 91.2 | Very high | 62 Ų | 62 | 90.5 Ų | 90.5 | 42% | 0.419 | 49% | 0.488 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 124.5 | 165.8 | -49.2 | 0 | 0 | 0 | 0 | 109.4 | C23 | C23-C46 HydrophobicContact CB-CB 3.81Å; C23-C46 WeakPolarHBondContact CB-SG 3.34Å; C23-C46 WeakPolarHBondContact SG-CA 3.45Å; C23-C46 WeakPolarHBondContact SG-CB 3.46Å; C23-C46 CovalentContact SG-SG 2.03Å; C23-C46 PolarHBondContact SG-SG 2.85Å |
| 47 | M | 93.9 | Very high | 90.9 | Very high | 49 Ų | 49 | 94.8 Ų | 94.8 | 24% | 0.241 | 49% | 0.492 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 131.8 | 173.5 | -172.3 | 178.2 | -172.5 | 0 | 0 | 109.8 | K62 S63 V65 | M47-K62 CarbonylContact O-C 3.57Å; M47-K62 VanDerWaalsContact O-CA 3.25Å; M47-K62 WeakPolarHBondContact O-CA 3.45Å; M47-S63 PolarHBondContact N-O 2.93Å; M47-S63 PolarHBondContact O-N 3.41Å; M47-V65 HydrophobicContact CB-CG1 4.01Å; M47-V65 HydrophobicContact CB-CG2 3.73Å; M47-V65 HydrophobicContact SD-CG1 4.13Å |
| 48 | T | 93.7 | Very high | 90.7 | Very high | 76 Ų | 76 | 92.5 Ų | 92.5 | 47% | 0.466 | 48% | 0.48 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 116.4 | 168.6 | -66.3 | 0 | 0 | 0 | 0 | 108.9 | R50 V60 S61 K62 | T48-R50 HydrophobicContact CG2-CG 4.44Å; T48-V60 HydrophobicContact CG2-CG2 4.01Å; T48-S61 CarbonylContact C-O 3.46Å; T48-S61 WeakPolarHBondContact CA-O 3.03Å; T48-K62 HydrophobicContact CG2-CG 4.14Å |
| 49 | T | 91.8 | Very high | 90.6 | Very high | 49 Ų | 49 | 88.4 Ų | 88.4 | 30% | 0.301 | 47% | 0.467 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 125.5 | 174.1 | -53.6 | 0 | 0 | 0 | 0 | 109.2 | V60 S61 | T49-V60 CarbonylContact O-C 3.56Å; T49-V60 WeakPolarHBondContact O-CA 3.25Å; T49-S61 PolarHBondContact N-O 3.1Å; T49-S61 PolarHBondContact O-N 2.81Å |
| 50 | R | 90.3 | Very high | 90.6 | Very high | 125 Ų | 125 | 88 Ų | 88 | 47% | 0.472 | 46% | 0.464 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 119.4 | 170.5 | -67.2 | 178.5 | 77.7 | -178.6 | 5.3 | 108.8 | T48 Y52 M58 V60 | T48-R50 HydrophobicContact CG2-CG 4.44Å; R50-Y52 HydrophobicContact CB-CE2 4.04Å; R50-Y52 PolarHBondContact NE-OH 2.9Å; R50-Y52 PolarHBondContact NH1-OH 3.42Å; R50-Y52 PolarHBondContact NH2-OH 2.79Å; R50-Y52 VanDerWaalsContact NH2-OH 3.12Å; R50-M58 PolarHBondContact NH2-SD 2.03Å; R50-V60 HydrophobicContact CG-CG2 4.25Å |
| 51 | T | 88.6 | Confident | 90.8 | Very high | 56 Ų | 56 | 86.7 Ų | 86.7 | 34% | 0.344 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 116.4 | 177.1 | -51.5 | 0 | 0 | 0 | 0 | 108.9 | Y53 M58 K59 | T51-Y53 HydrophobicContact CG2-CD2 4.48Å; T51-Y53 HydrophobicContact CG2-CE1 4.05Å; T51-Y53 HydrophobicContact CG2-CE2 4.02Å; T51-M58 CarbonylContact O-C 3.42Å; T51-M58 WeakPolarHBondContact O-CA 3.08Å; T51-M58 VanDerWaalsContact O-CB 3.28Å; T51-M58 WeakPolarHBondContact O-CB 3.06Å; T51-K59 PolarHBondContact N-O 2.99Å; T51-K59 PolarHBondContact O-N 2.96Å |
| 52 | Y | 89.1 | Confident | 91.2 | Very high | 135 Ų | 135 | 82.8 Ų | 82.8 | 53% | 0.529 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 114.8 | 173.6 | -63.9 | -93 | 0 | 0 | 0 | 108.9 | R50 M58 | R50-Y52 HydrophobicContact CB-CE2 4.04Å; R50-Y52 PolarHBondContact NE-OH 2.9Å; R50-Y52 PolarHBondContact NH1-OH 3.42Å; R50-Y52 PolarHBondContact NH2-OH 2.79Å; R50-Y52 VanDerWaalsContact NH2-OH 3.12Å; Y52-M58 HydrophobicContact CD1-CB 3.89Å; Y52-M58 HydrophobicContact CD1-SD 4.22Å; Y52-M58 HydrophobicContact CE1-CB 4.26Å; Y52-M58 HydrophobicContact CE1-CE 4.49Å; Y52-M58 HydrophobicContact CE1-SD 3.64Å; Y52-M58 HydrophobicContact CG-CB 4.37Å |
| 53 | Y | 85.8 | Confident | 91.7 | Very high | 147 Ų | 147 | 77.3 Ų | 77.3 | 58% | 0.576 | 40% | 0.397 | S | S | * | . | S | Bend | trans | -88.5 | -40.7 | 174.9 | -64.1 | -80.1 | 0 | 0 | 0 | 110.9 | T51 R57 K59 | T51-Y53 HydrophobicContact CG2-CD2 4.48Å; T51-Y53 HydrophobicContact CG2-CE1 4.05Å; T51-Y53 HydrophobicContact CG2-CE2 4.02Å; Y53-R57 PolarHBondContact N-O 2.94Å; Y53-K59 HydrophobicContact CE2-CB 3.75Å |
| 54 | T | 90.3 | Very high | 91.9 | Very high | 60 Ų | 60 | 78.1 Ų | 78.1 | 37% | 0.368 | 40% | 0.403 | S | S | . | . | S | Bend | trans | -139.5 | 171.1 | 171.7 | 72.5 | 0 | 0 | 0 | 0 | 108.4 | T56 R57 | T54-T56 PolarHBondContact O-N 2.89Å; T54-T56 PolarHBondContact OG1-N 2.99Å; T54-T56 PolarHBondContact OG1-OG1 2.8Å; T54-R57 PolarHBondContact N-O 3.32Å; T54-R57 VanDerWaalsContact N-O 3.08Å; T54-R57 PolarHBondContact O-N 2.64Å; T54-R57 VanDerWaalsContact O-O 3.08Å; T54-R57 WeakPolarHBondContact OG1-CB 3.07Å; T54-R57 PolarHBondContact OG1-N 3.27Å |
| 55 | P | 87.6 | Confident | 92 | Very high | 137 Ų | 137 | 76.4 Ų | 76.4 | 89% | 0.89 | 39% | 0.387 | S | S | * | . | S | Bend | trans | -56 | -24 | 175.4 | -27.1 | 36.2 | 0 | 0 | 0 | 114.2 | ||
| 56 | T | 88.3 | Confident | 91.9 | Very high | 129 Ų | 129 | 74.2 Ų | 74.2 | 79% | 0.791 | 39% | 0.388 | S | S | * | . | S | Bend | trans | -112.7 | -11.2 | -177.1 | 55.6 | 0 | 0 | 0 | 0 | 114 | T54 | T54-T56 PolarHBondContact O-N 2.89Å; T54-T56 PolarHBondContact OG1-N 2.99Å; T54-T56 PolarHBondContact OG1-OG1 2.8Å |
| 57 | R | 90.6 | Very high | 91.7 | Very high | 184 Ų | 184 | 80.1 Ų | 80.1 | 69% | 0.694 | 40% | 0.401 | S | S | * | . | trans | -118.4 | 117.5 | 177.5 | -68 | -169.6 | -177.9 | -177.8 | 1.9 | 110.5 | Y53 T54 | Y53-R57 PolarHBondContact N-O 2.94Å; T54-R57 PolarHBondContact N-O 3.32Å; T54-R57 VanDerWaalsContact N-O 3.08Å; T54-R57 PolarHBondContact O-N 2.64Å; T54-R57 VanDerWaalsContact O-O 3.08Å; T54-R57 WeakPolarHBondContact OG1-CB 3.07Å; T54-R57 PolarHBondContact OG1-N 3.27Å | ||
| 58 | M | 91.7 | Very high | 91.4 | Very high | 29 Ų | 29 | 80.7 Ų | 80.7 | 14% | 0.143 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 164.8 | 172.9 | 63 | 174.4 | 139.7 | 0 | 0 | 111.4 | N29 G30 D31 R50 T51 Y52 | N29-M58 CarbonylContact C-O 3.59Å; G30-M58 PolarHBondContact N-O 2.85Å; D31-M58 HydrophobicContact CB-CE 3.84Å; D31-M58 WeakPolarHBondContact OD1-CE 3.45Å; R50-M58 PolarHBondContact NH2-SD 2.03Å; T51-M58 CarbonylContact O-C 3.42Å; T51-M58 WeakPolarHBondContact O-CA 3.08Å; T51-M58 VanDerWaalsContact O-CB 3.28Å; T51-M58 WeakPolarHBondContact O-CB 3.06Å; Y52-M58 HydrophobicContact CD1-CB 3.89Å; Y52-M58 HydrophobicContact CD1-SD 4.22Å; Y52-M58 HydrophobicContact CE1-CB 4.26Å; Y52-M58 HydrophobicContact CE1-CE 4.49Å; Y52-M58 HydrophobicContact CE1-SD 3.64Å; Y52-M58 HydrophobicContact CG-CB 4.37Å |
| 59 | K | 92.1 | Very high | 91 | Very high | 75 Ų | 75 | 84.4 Ų | 84.4 | 33% | 0.326 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 138.6 | 171.9 | 179.8 | 179.8 | -177.7 | -179.3 | 0 | 108.6 | Y28 T51 Y53 | Y28-K59 CarbonylContact O-C 3.4Å; Y28-K59 WeakPolarHBondContact O-CA 3.48Å; Y28-K59 WeakPolarHBondContact O-CG 3.27Å; T51-K59 PolarHBondContact N-O 2.99Å; T51-K59 PolarHBondContact O-N 2.96Å; Y53-K59 HydrophobicContact CE2-CB 3.75Å |
| 60 | V | 94.4 | Very high | 90.3 | Very high | 1 Ų | 1 | 90.5 Ų | 90.5 | 1% | 0.006 | 44% | 0.444 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 141.7 | 170.1 | 66.8 | 0 | 0 | 0 | 0 | 109.2 | A27 Y28 C33 T48 T49 R50 K62 | A27-V60 WeakPolarHBondContact CA-O 3.33Å; Y28-V60 PolarHBondContact N-O 2.98Å; Y28-V60 PolarHBondContact O-N 2.78Å; C33-V60 HydrophobicContact CB-CG1 4.08Å; T48-V60 HydrophobicContact CG2-CG2 4.01Å; T49-V60 CarbonylContact O-C 3.56Å; T49-V60 WeakPolarHBondContact O-CA 3.25Å; R50-V60 HydrophobicContact CG-CG2 4.25Å; V60-K62 HydrophobicContact CG2-CG 4.14Å |
| 61 | S | 95.5 | Very high | 89.4 | Confident | 47 Ų | 47 | 90 Ų | 90 | 33% | 0.329 | 46% | 0.455 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 130.7 | 168.8 | -177.9 | 0 | 0 | 0 | 0 | 109 | C26 T48 T49 | C26-S61 CarbonylContact O-C 3.55Å; C26-S61 WeakPolarHBondContact O-CA 3.39Å; T48-S61 CarbonylContact C-O 3.46Å; T48-S61 WeakPolarHBondContact CA-O 3.03Å; T49-S61 PolarHBondContact N-O 3.1Å; T49-S61 PolarHBondContact O-N 2.81Å |
| 62 | K | 96.8 | Very high | 88.6 | Confident | 23 Ų | 23 | 91.3 Ų | 91.3 | 10% | 0.1 | 46% | 0.463 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 136.6 | 179.4 | -52.2 | -177.4 | -173.8 | -76.5 | 0 | 109.5 | H24 V25 C26 N32 C33 M47 T48 V60 | H24-K62 HydrophobicContact CB-CB 4.31Å; H24-K62 HydrophobicContact CB-CD 3.56Å; H24-K62 CarbonylContact O-C 3.57Å; H24-K62 WeakPolarHBondContact O-CB 3.41Å; V25-K62 WeakPolarHBondContact CA-O 3.33Å; C26-K62 PolarHBondContact N-O 2.85Å; C26-K62 VanDerWaalsContact N-O 3.1Å; C26-K62 PolarHBondContact O-N 2.89Å; N32-K62 WeakPolarHBondContact OD1-CE 3.32Å; N32-K62 PolarHBondContact OD1-NZ 3.19Å; C33-K62 WeakPolarHBondContact O-CE 2.82Å; M47-K62 CarbonylContact O-C 3.57Å; M47-K62 VanDerWaalsContact O-CA 3.25Å; M47-K62 WeakPolarHBondContact O-CA 3.45Å; T48-K62 HydrophobicContact CG2-CG 4.14Å; V60-K62 HydrophobicContact CG2-CG 4.14Å |
| 63 | S | 95.5 | Very high | 87.1 | Confident | 38 Ų | 38 | 94.1 Ų | 94.1 | 27% | 0.266 | 47% | 0.474 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154 | 164.7 | -175.8 | 61.7 | 0 | 0 | 0 | 0 | 112.8 | M47 | M47-S63 PolarHBondContact N-O 2.93Å; M47-S63 PolarHBondContact O-N 3.41Å |
| 64 | C | 95.6 | Very high | 85.5 | Confident | 32 Ų | 32 | 91.7 Ų | 91.7 | 22% | 0.216 | 47% | 0.471 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 124.4 | 172 | -66.6 | 0 | 0 | 0 | 0 | 109.1 | V25 C39 V43 | V25-C64 VanDerWaalsContact CG2-SG 3.53Å; C39-C64 VanDerWaalsContact CA-SG 3.57Å; C39-C64 HydrophobicContact CB-CB 3.79Å; C39-C64 WeakPolarHBondContact CB-SG 3.06Å; C39-C64 WeakPolarHBondContact SG-CB 3.11Å; C39-C64 CovalentContact SG-SG 2.04Å; C39-C64 PolarHBondContact SG-SG 2.04Å; V43-C64 HydrophobicContact CB-CB 4.4Å; V43-C64 HydrophobicContact CG1-CB 3.77Å; V43-C64 HydrophobicContact CG2-CB 4.05Å |
| 65 | V | 94 | Very high | 83.8 | Confident | 23 Ų | 23 | 91.8 Ų | 91.8 | 14% | 0.139 | 48% | 0.484 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 143.8 | 179.3 | -62.2 | 0 | 0 | 0 | 0 | 113 | V43 Y45 M47 R67 C68 | V43-V65 WeakPolarHBondContact CG1-O 3.28Å; Y45-V65 PolarHBondContact N-O 3.08Å; Y45-V65 PolarHBondContact O-N 3.39Å; M47-V65 HydrophobicContact CB-CG1 4.01Å; M47-V65 HydrophobicContact CB-CG2 3.73Å; M47-V65 HydrophobicContact SD-CG1 4.13Å; V65-R67 VanDerWaalsContact C-N 3.26Å; V65-R67 WeakPolarHBondContact CB-O 3.35Å; V65-R67 WeakPolarHBondContact CG2-O 3.24Å; V65-R67 PolarHBondContact O-N 2.88Å; V65-C68 HydrophobicContact CG2-CB 4.12Å |
| 66 | P | 91.1 | Very high | 82 | Confident | 81 Ų | 81 | 93.9 Ų | 93.9 | 53% | 0.526 | 48% | 0.475 | S | S | . | . | S | Bend | trans | -67.8 | -27.8 | 177.8 | 28 | -34.8 | 0 | 0 | 0 | 112.6 | Y45 | Y45-P66 WeakPolarHBondContact CD2-O 3.13Š|
| 67 | R | 89.3 | Confident | 80.2 | Confident | 187 Ų | 187 | 90.4 Ų | 90.4 | 71% | 0.706 | 46% | 0.456 | S | S | * | . | S | Bend | trans | -141.3 | 143.1 | 174.5 | -70.8 | -171.4 | 164.8 | 150.1 | -2.1 | 109.5 | V65 F69 | V65-R67 VanDerWaalsContact C-N 3.26Å; V65-R67 WeakPolarHBondContact CB-O 3.35Å; V65-R67 WeakPolarHBondContact CG2-O 3.24Å; V65-R67 PolarHBondContact O-N 2.88Å; R67-F69 HydrophobicContact CB-CE2 4.18Å; R67-F69 HydrophobicContact CB-CZ 4.23Å |
| 68 | C | 87.4 | Confident | 78.1 | Confident | 60 Ų | 60 | 89 Ų | 89 | 41% | 0.405 | 46% | 0.455 | S | S | . | . | trans | -118.6 | 131.6 | 176.8 | -169 | 0 | 0 | 0 | 0 | 108.9 | Y45 V65 | Y45-C68 HydrophobicContact CG-CB 4.33Å; V65-C68 HydrophobicContact CG2-CB 4.12Å | ||
| 69 | F | 84.7 | Confident | 76 | Confident | 155 Ų | 155 | 95.2 Ų | 95.2 | 68% | 0.68 | 48% | 0.484 | S | S | * | . | trans | -117.2 | 130.8 | 173.9 | -57.5 | -76.1 | 0 | 0 | 0 | 108.1 | R67 T71 | R67-F69 HydrophobicContact CB-CE2 4.18Å; R67-F69 HydrophobicContact CB-CZ 4.23Å; F69-T71 PolarHBondContact O-N 3.12Å | ||
| 70 | E | 78.3 | Confident | 73.7 | Confident | 177 Ų | 177 | 96 Ų | 96 | 83% | 0.827 | 50% | 0.504 | S | S | * | . | trans | -73.2 | 123.5 | 175.5 | -165.7 | 164.5 | -161 | 0 | 0 | 108.8 | V72 | E70-V72 VanDerWaalsContact C-N 3.28Å; E70-V72 PolarHBondContact O-N 2.83Å | ||
| 71 | T | 71.6 | Confident | 71.3 | Confident | 113 Ų | 113 | 101.5 Ų | 101.5 | 69% | 0.693 | 54% | 0.542 | S | S | * | . | trans | -76.6 | 86.6 | 171.4 | 55.9 | 0 | 0 | 0 | 0 | 107.7 | F69 Y73 | F69-T71 PolarHBondContact O-N 3.12Å; T71-Y73 PolarHBondContact O-N 3.34Å | ||
| 72 | V | 70.4 | Confident | 68.4 | Low | 85 Ų | 85 | 109.2 Ų | 109.2 | 52% | 0.515 | 59% | 0.588 | S | S | . | * | trans | -66 | 120.8 | 172.2 | -177.8 | 0 | 0 | 0 | 0 | 107.4 | E70 D74 S77 | E70-V72 VanDerWaalsContact C-N 3.28Å; E70-V72 PolarHBondContact O-N 2.83Å; V72-D74 HydrophobicContact CG1-CB 4.33Å; V72-D74 PolarHBondContact O-N 3.36Å; V72-S77 VanDerWaalsContact O-CB 3.31Å; V72-S77 WeakPolarHBondContact O-CB 2.78Å; V72-S77 PolarHBondContact O-OG 3.05Å | ||
| 73 | Y | 58.3 | Low | 67 | Low | 193 Ų | 193 | 113.6 Ų | 113.6 | 76% | 0.757 | 61% | 0.612 | S | S | * | * | trans | -82.8 | 76.1 | 176 | -144.9 | -87.9 | 0 | 0 | 0 | 108.8 | T71 G75 | T71-Y73 PolarHBondContact O-N 3.34Å; Y73-G75 VanDerWaalsContact C-N 3.3Å | ||
| 74 | D | 52.9 | Low | 65.5 | Low | 97 Ų | 97 | 117.5 Ų | 117.5 | 52% | 0.519 | 63% | 0.631 | S | S | . | * | S | Bend | trans | -88.3 | 3.9 | 175.1 | 63.8 | -10.9 | 0 | 0 | 0 | 112.9 | V72 Y76 S77 | V72-D74 HydrophobicContact CG1-CB 4.33Å; V72-D74 PolarHBondContact O-N 3.36Å; D74-Y76 PolarHBondContact O-N 3.5Å; D74-Y76 PolarHBondContact OD1-N 3.29Å; D74-S77 WeakPolarHBondContact OD1-CB 3.35Å; D74-S77 PolarHBondContact OD1-N 3.46Å; D74-S77 PolarHBondContact OD1-OG 3.03Å |
| 75 | G | 54.2 | Low | 63.8 | Low | 61 Ų | 61 | 122.3 Ų | 122.3 | 63% | 0.629 | 65% | 0.654 | S | S | * | * | S | Bend | trans | 78.5 | -8.7 | -173 | 0 | 0 | 0 | 0 | 0 | 114.3 | Y73 | Y73-G75 VanDerWaalsContact C-N 3.3Š|
| 76 | Y | 49.1 | Very low | 62.1 | Low | 181 Ų | 181 | 128.1 Ų | 128.1 | 71% | 0.71 | 68% | 0.684 | S | S | * | * | trans | -108.3 | -20.9 | -177.7 | -157.9 | -100.3 | 0 | 0 | 0 | 113.1 | D74 K78 | D74-Y76 PolarHBondContact O-N 3.5Å; D74-Y76 PolarHBondContact OD1-N 3.29Å; Y76-K78 PolarHBondContact O-N 3.38Å | ||
| 77 | S | 51 | Low | 60.2 | Low | 57 Ų | 57 | 131.1 Ų | 131.1 | 40% | 0.399 | 69% | 0.694 | S | S | . | * | G | 310 helix | trans | -73.2 | 10.9 | -169.5 | -64.8 | 0 | 0 | 0 | 0 | 117.2 | V72 D74 H79 | V72-S77 VanDerWaalsContact O-CB 3.31Å; V72-S77 WeakPolarHBondContact O-CB 2.78Å; V72-S77 PolarHBondContact O-OG 3.05Å; D74-S77 WeakPolarHBondContact OD1-CB 3.35Å; D74-S77 PolarHBondContact OD1-N 3.46Å; D74-S77 PolarHBondContact OD1-OG 3.03Å; S77-H79 PolarHBondContact O-N 2.96Å |
| 78 | K | 46.2 | Very low | 58.3 | Low | 154 Ų | 154 | 127.3 Ų | 127.3 | 67% | 0.67 | 69% | 0.693 | S | S | * | * | G | 310 helix | trans | -72.1 | -5.1 | 177.3 | -54.9 | -155 | -177.7 | -167.9 | 0 | 113.8 | Y76 | Y76-K78 PolarHBondContact O-N 3.38Š|
| 79 | H | 46.6 | Very low | 56.2 | Low | 160 Ų | 160 | 132.1 Ų | 132.1 | 74% | 0.741 | 71% | 0.713 | S | S | * | * | G | 310 helix | trans | -99.4 | 0.7 | -174.9 | -64.9 | -64.8 | 0 | 0 | 0 | 115.3 | S77 S81 | S77-H79 PolarHBondContact O-N 2.96Å; H79-S81 PolarHBondContact O-N 3.37Å |
| 80 | A | 44.6 | Very low | 54 | Low | 90 Ų | 90 | 130.4 Ų | 130.4 | 74% | 0.744 | 72% | 0.716 | S | S | * | * | trans | -94.7 | 20.3 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 81 | S | 43.3 | Very low | 52 | Low | 117 Ų | 117 | 126.5 Ų | 126.5 | 82% | 0.818 | 71% | 0.707 | S | S | * | * | trans | -110.6 | 92.7 | 170.1 | -58 | 0 | 0 | 0 | 0 | 108.6 | H79 | H79-S81 PolarHBondContact O-N 3.37Š| ||
| 82 | T | 36 | Very low | 50.2 | Low | 210 Ų | 210 | 127.7 Ų | 127.7 | 100% | 1.288 | 71% | 0.708 | S | S | * | * | trans | -84.4 | 0 | 162.5 | -57.5 | 0 | 0 | 0 | 0 | 109.1 |
Retrieved 82 of 82 residues in 254.7 ms
(Link to these results)