| 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 | 60.8 | Low | 81.7 | Confident | 144 Ų | 144 | 100.9 Ų | 100.9 | 71% | 0.709 | 57% | 0.573 | S | S | * | * | 0 | -12.2 | 0 | -74.3 | 174.8 | 84.9 | 0 | 0 | 112.1 | C5 L231 | M1-C5 PolarHBondContact O-N 3.08Å; M1-L231 HydrophobicContact CE-CD1 3.63Å; M1-L231 HydrophobicContact SD-CD1 3.59Å; M1-L231 VanDerWaalsContact SD-CD1 3.59Å | |||
| 2 | D | 82 | Confident | 81.4 | Confident | 125 Ų | 125 | 98.2 Ų | 98.2 | 67% | 0.668 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -69.2 | -38.4 | -175 | -51.6 | -72.9 | 0 | 0 | 0 | 114.4 | V4 C5 L6 | D2-V4 PolarHBondContact O-N 3.21Å; D2-C5 PolarHBondContact O-N 3.02Å; D2-L6 WeakPolarHBondContact O-CB 3.43Å; D2-L6 VanDerWaalsContact O-CG 3.25Å; D2-L6 WeakPolarHBondContact O-CG 3.46Å; D2-L6 PolarHBondContact O-N 3.2Å |
| 3 | V | 85 | Confident | 81.1 | Confident | 112 Ų | 112 | 96 Ų | 96 | 68% | 0.679 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -66.6 | -39 | -179.8 | -177.1 | 0 | 0 | 0 | 0 | 111.8 | L6 M7 | V3-L6 PolarHBondContact O-N 2.55Å; V3-M7 WeakPolarHBondContact O-CB 3.35Å; V3-M7 VanDerWaalsContact O-CG 3.27Å; V3-M7 WeakPolarHBondContact O-CG 3.2Å; V3-M7 PolarHBondContact O-N 3.36Å |
| 4 | V | 87.2 | Confident | 80.5 | Confident | 103 Ų | 103 | 92 Ų | 92 | 62% | 0.624 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -67.3 | -42.4 | 176.4 | 179.9 | 0 | 0 | 0 | 0 | 110.1 | D2 M7 C8 | D2-V4 PolarHBondContact O-N 3.21Å; V4-M7 PolarHBondContact O-N 3.34Å; V4-C8 WeakPolarHBondContact O-CB 3.25Å; V4-C8 PolarHBondContact O-N 2.76Å; V4-C8 PolarHBondContact O-SG 3.23Å |
| 5 | C | 82.4 | Confident | 79.7 | Confident | 71 Ų | 71 | 89.9 Ų | 89.9 | 48% | 0.48 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -62.4 | -44.5 | 176.1 | -163.6 | 0 | 0 | 0 | 0 | 111.8 | M1 D2 M7 C8 L9 | M1-C5 PolarHBondContact O-N 3.08Å; D2-C5 PolarHBondContact O-N 3.02Å; C5-M7 PolarHBondContact O-N 3Å; C5-C8 PolarHBondContact O-N 3.15Å; C5-L9 WeakPolarHBondContact O-CB 3.26Å; C5-L9 VanDerWaalsContact O-CG 3.28Å; C5-L9 WeakPolarHBondContact O-CG 2.78Å; C5-L9 PolarHBondContact O-N 3.43Å |
| 6 | L | 84.6 | Confident | 78.7 | Confident | 113 Ų | 113 | 97.4 Ų | 97.4 | 59% | 0.592 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -62.3 | -40.7 | 176 | -72.7 | 170.7 | 0 | 0 | 0 | 112.5 | D2 V3 L9 A10 | D2-L6 WeakPolarHBondContact O-CB 3.43Å; D2-L6 VanDerWaalsContact O-CG 3.25Å; D2-L6 WeakPolarHBondContact O-CG 3.46Å; D2-L6 PolarHBondContact O-N 3.2Å; V3-L6 PolarHBondContact O-N 2.55Å; L6-L9 PolarHBondContact O-N 3.32Å; L6-A10 WeakPolarHBondContact O-CB 3.2Å; L6-A10 PolarHBondContact O-N 3.39Å |
| 7 | M | 85.1 | Confident | 77.8 | Confident | 113 Ų | 113 | 102.2 Ų | 102.2 | 56% | 0.557 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -65.1 | -41.5 | 174.6 | -73.9 | -63.7 | -62.1 | 0 | 0 | 111.9 | V3 V4 C5 A10 L11 | V3-M7 WeakPolarHBondContact O-CB 3.35Å; V3-M7 VanDerWaalsContact O-CG 3.27Å; V3-M7 WeakPolarHBondContact O-CG 3.2Å; V3-M7 PolarHBondContact O-N 3.36Å; V4-M7 PolarHBondContact O-N 3.34Å; C5-M7 PolarHBondContact O-N 3Å; M7-A10 PolarHBondContact O-N 2.98Å; M7-L11 WeakPolarHBondContact O-CB 3.38Å; M7-L11 VanDerWaalsContact O-CG 3.28Å; M7-L11 WeakPolarHBondContact O-CG 3.37Å; M7-L11 PolarHBondContact O-N 2.94Å |
| 8 | C | 84.3 | Confident | 77.1 | Confident | 54 Ų | 54 | 101.1 Ų | 101.1 | 37% | 0.365 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -64.5 | -40.5 | 174.7 | -69 | 0 | 0 | 0 | 0 | 112.1 | V4 C5 L11 T12 | V4-C8 WeakPolarHBondContact O-CB 3.25Å; V4-C8 PolarHBondContact O-N 2.76Å; V4-C8 PolarHBondContact O-SG 3.23Å; C5-C8 PolarHBondContact O-N 3.15Å; C8-L11 PolarHBondContact O-N 2.89Å; C8-T12 WeakPolarHBondContact O-CB 3.4Å; C8-T12 VanDerWaalsContact O-CG2 3.3Å; C8-T12 WeakPolarHBondContact O-CG2 3.4Å; C8-T12 PolarHBondContact O-N 3.12Å; C8-T12 PolarHBondContact O-OG1 3.27Å |
| 9 | L | 83.2 | Confident | 76.8 | Confident | 95 Ų | 95 | 100.6 Ų | 100.6 | 50% | 0.497 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -65.2 | -41.9 | 175.3 | -71.3 | 171.6 | 0 | 0 | 0 | 111.4 | C5 L6 T12 V13 | C5-L9 WeakPolarHBondContact O-CB 3.26Å; C5-L9 VanDerWaalsContact O-CG 3.28Å; C5-L9 WeakPolarHBondContact O-CG 2.78Å; C5-L9 PolarHBondContact O-N 3.43Å; L6-L9 PolarHBondContact O-N 3.32Å; L9-T12 WeakPolarHBondContact CA-OG1 3.33Å; L9-T12 PolarHBondContact O-N 2.94Å; L9-T12 PolarHBondContact O-OG1 2.77Å; L9-V13 WeakPolarHBondContact O-CB 3.14Å; L9-V13 WeakPolarHBondContact O-CG2 3.43Å; L9-V13 PolarHBondContact O-N 2.75Å |
| 10 | A | 82.6 | Confident | 77.2 | Confident | 61 Ų | 61 | 97.2 Ų | 97.2 | 50% | 0.504 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -64.7 | -40.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | L6 M7 G14 | L6-A10 WeakPolarHBondContact O-CB 3.2Å; L6-A10 PolarHBondContact O-N 3.39Å; M7-A10 PolarHBondContact O-N 2.98Å; A10-G14 PolarHBondContact O-N 3.01Å |
| 11 | L | 82.1 | Confident | 78 | Confident | 119 Ų | 119 | 96.7 Ų | 96.7 | 62% | 0.623 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -68.1 | -40 | 177.4 | -72.4 | 170.8 | 0 | 0 | 0 | 112.4 | M7 C8 G14 A15 | M7-L11 WeakPolarHBondContact O-CB 3.38Å; M7-L11 VanDerWaalsContact O-CG 3.28Å; M7-L11 WeakPolarHBondContact O-CG 3.37Å; M7-L11 PolarHBondContact O-N 2.94Å; C8-L11 PolarHBondContact O-N 2.89Å; L11-G14 PolarHBondContact O-N 2.83Å; L11-A15 WeakPolarHBondContact O-CB 3.4Å; L11-A15 PolarHBondContact O-N 2.85Å |
| 12 | T | 78 | Confident | 79.7 | Confident | 68 Ų | 68 | 97.2 Ų | 97.2 | 42% | 0.417 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -68.8 | -42.5 | 177.6 | 48.5 | 0 | 0 | 0 | 0 | 111.7 | C8 L9 A15 W16 | C8-T12 WeakPolarHBondContact O-CB 3.4Å; C8-T12 VanDerWaalsContact O-CG2 3.3Å; C8-T12 WeakPolarHBondContact O-CG2 3.4Å; C8-T12 PolarHBondContact O-N 3.12Å; C8-T12 PolarHBondContact O-OG1 3.27Å; L9-T12 WeakPolarHBondContact CA-OG1 3.33Å; L9-T12 PolarHBondContact O-N 2.94Å; L9-T12 PolarHBondContact O-OG1 2.77Å; T12-A15 PolarHBondContact O-N 2.89Å; T12-W16 VanDerWaalsContact O-CD1 3.31Å; T12-W16 PolarHBondContact O-N 2.78Å; T12-W16 VanDerWaalsContact O-N 3.15Å |
| 13 | V | 76.8 | Confident | 80.4 | Confident | 70 Ų | 70 | 92.8 Ų | 92.8 | 42% | 0.424 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -64.1 | -43.2 | 173 | 172.5 | 0 | 0 | 0 | 0 | 111.1 | L9 A15 W16 F17 | L9-V13 WeakPolarHBondContact O-CB 3.14Å; L9-V13 WeakPolarHBondContact O-CG2 3.43Å; L9-V13 PolarHBondContact O-N 2.75Å; V13-A15 VanDerWaalsContact C-N 3.31Å; V13-A15 PolarHBondContact O-N 2.95Å; V13-W16 PolarHBondContact O-N 3.3Å; V13-F17 HydrophobicContact CG1-CD2 4.01Å; V13-F17 HydrophobicContact CG1-CE2 3.63Å; V13-F17 WeakPolarHBondContact O-CD2 3.47Å; V13-F17 PolarHBondContact O-N 3.24Å |
| 14 | G | 72.4 | Confident | 81 | Confident | 40 Ų | 40 | 90.6 Ų | 90.6 | 41% | 0.412 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61.8 | -37 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | A10 L11 F17 A18 | A10-G14 PolarHBondContact O-N 3.01Å; L11-G14 PolarHBondContact O-N 2.83Å; G14-F17 PolarHBondContact O-N 3.42Å; G14-A18 PolarHBondContact O-N 3.31Å |
| 15 | A | 69.2 | Low | 81.6 | Confident | 61 Ų | 61 | 85.8 Ų | 85.8 | 50% | 0.504 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -67.6 | -33.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | L11 T12 V13 A18 | L11-A15 WeakPolarHBondContact O-CB 3.4Å; L11-A15 PolarHBondContact O-N 2.85Å; T12-A15 PolarHBondContact O-N 2.89Å; V13-A15 VanDerWaalsContact C-N 3.31Å; V13-A15 PolarHBondContact O-N 2.95Å; A15-A18 PolarHBondContact O-N 3.42Å |
| 16 | W | 63.9 | Low | 82.3 | Confident | 209 Ų | 209 | 88.8 Ų | 88.8 | 79% | 0.792 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -66.9 | -36.1 | 176.7 | -70.4 | 1.1 | 0 | 0 | 0 | 112.8 | T12 V13 A18 | T12-W16 VanDerWaalsContact O-CD1 3.31Å; T12-W16 PolarHBondContact O-N 2.78Å; T12-W16 VanDerWaalsContact O-N 3.15Å; V13-W16 PolarHBondContact O-N 3.3Å; W16-A18 VanDerWaalsContact C-N 3.25Å; W16-A18 PolarHBondContact O-N 2.89Å |
| 17 | F | 62.6 | Low | 82.9 | Confident | 179 Ų | 179 | 83.4 Ų | 83.4 | 79% | 0.785 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -74.2 | -13.9 | 175.1 | -72.6 | -70.1 | 0 | 0 | 0 | 114 | V13 G14 | V13-F17 HydrophobicContact CG1-CD2 4.01Å; V13-F17 HydrophobicContact CG1-CE2 3.63Å; V13-F17 WeakPolarHBondContact O-CD2 3.47Å; V13-F17 PolarHBondContact O-N 3.24Å; G14-F17 PolarHBondContact O-N 3.42Å |
| 18 | A | 65.1 | Low | 83.4 | Confident | 83 Ų | 83 | 79.5 Ų | 79.5 | 69% | 0.686 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.1 | -0.9 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | G14 A15 W16 | G14-A18 PolarHBondContact O-N 3.31Å; A15-A18 PolarHBondContact O-N 3.42Å; W16-A18 VanDerWaalsContact C-N 3.25Å; W16-A18 PolarHBondContact O-N 2.89Å |
| 19 | S | 72.1 | Confident | 83.9 | Confident | 91 Ų | 91 | 78.8 Ų | 78.8 | 64% | 0.636 | 44% | 0.435 | S | S | * | . | P | Polyproline II helix | trans | -77.6 | 128.3 | -179.8 | -171.6 | 0 | 0 | 0 | 0 | 111.3 | ||
| 20 | A | 85.1 | Confident | 84.4 | Confident | 33 Ų | 33 | 78.5 Ų | 78.5 | 27% | 0.273 | 44% | 0.44 | S | S | . | . | P | Polyproline II helix | trans | -65.7 | 134.9 | 162.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | N46 Y48 | A20-N46 WeakPolarHBondContact CB-O 3.26Å; A20-Y48 HydrophobicContact CB-CD2 4.12Å; A20-Y48 HydrophobicContact CB-CE2 3.97Å |
| 21 | E | 93.2 | Very high | 85 | Confident | 86 Ų | 86 | 76.3 Ų | 76.3 | 40% | 0.402 | 42% | 0.421 | S | S | . | . | P | Polyproline II helix | trans | -85 | 153.4 | 175.5 | -170.1 | 168.1 | -173 | 0 | 0 | 110.4 | R44 D47 Y48 | E21-R44 IonicContact OE2-CZ 3.07Å; E21-R44 IonicContact OE2-NH1 3.71Å; E21-R44 PolarHBondContact OE2-NH1 2.93Å; E21-R44 IonicContact OE2-NH2 3.42Å; E21-R44 PolarHBondContact OE2-NH2 3.29Å; E21-D47 PolarHBondContact N-OD1 3.47Å; E21-D47 WeakPolarHBondContact O-CA 3.24Å; E21-D47 WeakPolarHBondContact O-CB 3.31Å; E21-Y48 PolarHBondContact O-N 3.02Å |
| 22 | R | 96.5 | Very high | 85.7 | Confident | 155 Ų | 155 | 74.4 Ų | 74.4 | 59% | 0.585 | 42% | 0.415 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 124.3 | 176.6 | -65.1 | -160.3 | 158.2 | 80.3 | 0.9 | 110.2 | Y48 | R22-Y48 WeakPolarHBondContact CA-O 3.25Å |
| 23 | H | 97.8 | Very high | 86.5 | Confident | 33 Ų | 33 | 74.9 Ų | 74.9 | 15% | 0.153 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 125.2 | 179.2 | -59.8 | -86.9 | 0 | 0 | 0 | 109 | V41 E42 D47 Y48 L49 D50 | H23-V41 HydrophobicContact CB-CG1 3.95Å; H23-E42 PolarHBondContact CE1-O 2.88Å; H23-D47 IonicContact NE2-OD2 3.33Å; H23-D47 PolarHBondContact NE2-OD2 3.04Å; H23-Y48 PolarHBondContact N-O 2.96Å; H23-L49 HydrophobicContact CB-CD1 4.11Å; H23-L49 CarbonylContact O-C 3.57Å; H23-L49 WeakPolarHBondContact O-CA 3.25Å; H23-D50 PolarHBondContact O-N 2.62Å |
| 24 | S | 97.9 | Very high | 87.4 | Confident | 66 Ų | 66 | 72 Ų | 72 | 46% | 0.462 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 128.2 | -177.8 | -63.4 | 0 | 0 | 0 | 0 | 111.2 | D50 | S24-D50 CarbonylContact C-O 3.54Å; S24-D50 WeakPolarHBondContact CA-O 3.28Å |
| 25 | V | 98.2 | Very high | 88.2 | Confident | 1 Ų | 1 | 75.9 Ų | 75.9 | 1% | 0.006 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 118.7 | 178.3 | 174.9 | 0 | 0 | 0 | 0 | 109.6 | W27 F34 Y39 V41 L49 D50 I52 L145 | V25-W27 HydrophobicContact CG1-CE3 4.24Å; V25-W27 PolarHBondContact O-N 3.31Å; V25-F34 HydrophobicContact CG1-CE2 4.28Å; V25-F34 HydrophobicContact CG1-CZ 4.03Å; V25-Y39 HydrophobicContact CG1-CE1 3.76Å; V25-V41 HydrophobicContact CG2-CG2 3.9Å; V25-L49 HydrophobicContact CG2-CD1 3.74Å; V25-D50 PolarHBondContact N-O 3.18Å; V25-I52 PolarHBondContact O-N 3.41Å; V25-L145 HydrophobicContact CG1-CD2 4.36Å; V25-L145 HydrophobicContact CG2-CD2 4.2Å |
| 26 | Y | 97.8 | Very high | 89.1 | Confident | 134 Ų | 134 | 82.8 Ų | 82.8 | 53% | 0.525 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 111.4 | 174.3 | -67.9 | -88.5 | 0 | 0 | 0 | 110.1 | N28 N31 F34 I52 | Y26-N28 PolarHBondContact O-N 3.11Å; Y26-N31 PolarHBondContact O-ND2 2.85Å; Y26-F34 WeakPolarHBondContact O-CE2 3.39Å; Y26-I52 HydrophobicContact CD1-CB 4Å; Y26-I52 HydrophobicContact CD1-CD1 4.06Å; Y26-I52 HydrophobicContact CD1-CG2 3.89Å; Y26-I52 HydrophobicContact CE1-CB 4.31Å; Y26-I52 HydrophobicContact CE1-CD1 3.65Å; Y26-I52 HydrophobicContact CE1-CG2 3.98Å; Y26-I52 HydrophobicContact CE2-CD1 4.19Å |
| 27 | W | 97.7 | Very high | 90.3 | Very high | 0 Ų | 0 | 76.3 Ų | 76.3 | 0% | 0 | 40% | 0.4 | C | S | . | . | trans | -92.8 | 75.2 | -171.1 | -159.8 | -76 | 0 | 0 | 0 | 112.2 | V25 F34 I51 I52 P54 Y69 L71 S132 L143 L145 | V25-W27 HydrophobicContact CG1-CE3 4.24Å; V25-W27 PolarHBondContact O-N 3.31Å; W27-F34 AromaticContact CD2-CZ 3.98Å; W27-F34 HydrophobicContact CD2-CZ 3.98Å; W27-F34 HydrophobicContact CE3-CE1 4.42Å; W27-F34 AromaticContact CE3-CZ 3.77Å; W27-F34 HydrophobicContact CE3-CZ 3.77Å; W27-F34 HydrophobicContact CH2-CE1 4.35Å; W27-F34 HydrophobicContact CH2-CZ 4.48Å; W27-F34 HydrophobicContact CZ3-CE1 4.31Å; W27-F34 HydrophobicContact CZ3-CZ 4.04Å; W27-I51 HydrophobicContact CB-CG2 3.76Å; W27-I51 HydrophobicContact CD2-CG2 4.11Å; W27-I51 HydrophobicContact CE3-CD1 4.23Å; W27-I51 HydrophobicContact CE3-CG2 3.71Å; W27-I51 HydrophobicContact CG-CG2 4.16Å; W27-I51 HydrophobicContact CZ3-CD1 4.17Å; W27-I52 PolarHBondContact N-O 3.1Å; W27-P54 VanDerWaalsContact O-CD 3.25Å; W27-P54 WeakPolarHBondContact O-CD 3.27Å; W27-P54 VanDerWaalsContact O-CG 3.24Å; W27-P54 WeakPolarHBondContact O-CG 3.41Å; W27-Y69 AromaticContact CD1-CD2 3.9Å; W27-L71 HydrophobicContact CD2-CD2 3.63Å; W27-L71 HydrophobicContact CE3-CD2 4.2Å; W27-L71 HydrophobicContact CG-CD2 4.03Å; W27-L71 HydrophobicContact CH2-CD2 4.15Å; W27-L71 HydrophobicContact CZ2-CD2 3.57Å; W27-L71 HydrophobicContact CZ3-CD2 4.43Å; W27-S132 PolarHBondContact NE1-OG 3.27Å; W27-L143 HydrophobicContact CZ2-CB 3.99Å; W27-L143 WeakPolarHBondContact CZ2-O 3.2Å; W27-L145 HydrophobicContact CH2-CB 3.81Å; W27-L145 HydrophobicContact CZ3-CB 3.58Å; W27-L145 HydrophobicContact CZ3-CD2 3.98Å; W27-L145 HydrophobicContact CZ3-CG 4.43Å | ||
| 28 | N | 95.4 | Very high | 91.7 | Very high | 31 Ų | 31 | 72.7 Ų | 72.7 | 17% | 0.166 | 39% | 0.389 | C | S | . | . | S | Bend | trans | -144.4 | 159.1 | 176.8 | 64.1 | 79.1 | 0 | 0 | 0 | 110.9 | Y26 S30 N31 P54 | Y26-N28 PolarHBondContact O-N 3.11Å; N28-S30 PolarHBondContact O-N 3.07Å; N28-S30 WeakPolarHBondContact OD1-CA 3.43Å; N28-S30 WeakPolarHBondContact OD1-CB 3.37Å; N28-S30 PolarHBondContact OD1-N 3.45Å; N28-S30 VanDerWaalsContact OD1-N 3.08Å; N28-N31 WeakPolarHBondContact O-CB 3.19Å; N28-N31 PolarHBondContact O-N 3.04Å; N28-N31 PolarHBondContact OD1-N 3.21Å; N28-P54 HydrophobicContact CB-CB 4.41Å; N28-P54 HydrophobicContact CB-CG 4.1Å |
| 29 | S | 94.6 | Very high | 93.3 | Very high | 40 Ų | 40 | 70.3 Ų | 70.3 | 28% | 0.28 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -21.9 | -177.1 | 70 | 0 | 0 | 0 | 0 | 114.4 | N31 E67 S140 | S29-N31 VanDerWaalsContact C-N 3.31Å; S29-E67 PolarHBondContact N-OE2 3.1Å; S29-E67 VanDerWaalsContact OG-CD 3.29Å; S29-E67 PolarHBondContact OG-OE1 3.09Å; S29-E67 PolarHBondContact OG-OE2 2.7Å; S29-S140 WeakPolarHBondContact CB-OG 3.35Å |
| 30 | S | 93.6 | Very high | 94.5 | Very high | 88 Ų | 88 | 68.7 Ų | 68.7 | 62% | 0.615 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.3 | -11.6 | 179.7 | -58.4 | 0 | 0 | 0 | 0 | 113.1 | N28 P32 | N28-S30 PolarHBondContact O-N 3.07Å; N28-S30 WeakPolarHBondContact OD1-CA 3.43Å; N28-S30 WeakPolarHBondContact OD1-CB 3.37Å; N28-S30 PolarHBondContact OD1-N 3.45Å; N28-S30 VanDerWaalsContact OD1-N 3.08Å; S30-P32 WeakPolarHBondContact O-CD 3.42Å |
| 31 | N | 96 | Very high | 95.1 | Very high | 16 Ų | 16 | 68 Ų | 68 | 9% | 0.086 | 34% | 0.341 | C | S | . | . | trans | -74.2 | 117.4 | 178.4 | 175.1 | -3.7 | 0 | 0 | 0 | 109.8 | Y26 N28 S29 N33 F34 | Y26-N31 PolarHBondContact O-ND2 2.85Å; N28-N31 WeakPolarHBondContact O-CB 3.19Å; N28-N31 PolarHBondContact O-N 3.04Å; N28-N31 PolarHBondContact OD1-N 3.21Å; S29-N31 VanDerWaalsContact C-N 3.31Å; N31-N33 PolarHBondContact O-N 2.85Å; N31-N33 VanDerWaalsContact O-N 3.09Å; N31-N33 WeakPolarHBondContact OD1-CB 3.28Å; N31-N33 PolarHBondContact OD1-N 3.37Å; N31-N33 VanDerWaalsContact OD1-N 3.1Å; N31-N33 PolarHBondContact OD1-ND2 2.76Å; N31-N33 VanDerWaalsContact OD1-ND2 3.11Å; N31-F34 HydrophobicContact CB-CD2 3.97Å; N31-F34 HydrophobicContact CB-CE2 4.49Å; N31-F34 PolarHBondContact O-N 3.42Å | ||
| 32 | P | 95.2 | Very high | 95.3 | Very high | 78 Ų | 78 | 70.3 Ų | 70.3 | 51% | 0.506 | 35% | 0.352 | S | S | . | . | G | 310 helix | trans | -63.1 | -22.1 | -173 | 25.9 | -35.6 | 0 | 0 | 0 | 113.7 | S30 F34 M35 | S30-P32 WeakPolarHBondContact O-CD 3.42Å; P32-F34 PolarHBondContact O-N 2.9Å; P32-M35 HydrophobicContact CB-CE 4.3Å; P32-M35 HydrophobicContact CB-SD 4.13Å; P32-M35 WeakPolarHBondContact O-CB 3.43Å; P32-M35 PolarHBondContact O-N 3.34Å; P32-M35 VanDerWaalsContact O-N 3.1Å |
| 33 | N | 95.6 | Very high | 95.3 | Very high | 78 Ų | 78 | 63 Ų | 63 | 42% | 0.417 | 32% | 0.324 | S | S | . | . | G | 310 helix | trans | -64.6 | -24.7 | 177.2 | -64.6 | -50.3 | 0 | 0 | 0 | 112.4 | N31 Y39 | N31-N33 PolarHBondContact O-N 2.85Å; N31-N33 VanDerWaalsContact O-N 3.09Å; N31-N33 WeakPolarHBondContact OD1-CB 3.28Å; N31-N33 PolarHBondContact OD1-N 3.37Å; N31-N33 VanDerWaalsContact OD1-N 3.1Å; N31-N33 PolarHBondContact OD1-ND2 2.76Å; N31-N33 VanDerWaalsContact OD1-ND2 3.11Å; N33-Y39 HydrophobicContact CB-CD1 3.44Å; N33-Y39 VanDerWaalsContact CB-CD1 3.44Å; N33-Y39 HydrophobicContact CB-CD2 3.77Å; N33-Y39 HydrophobicContact CB-CE1 3.4Å; N33-Y39 VanDerWaalsContact CB-CE1 3.4Å; N33-Y39 HydrophobicContact CB-CE2 3.76Å; N33-Y39 HydrophobicContact CB-CG 3.64Å; N33-Y39 WeakPolarHBondContact O-CB 3.42Å |
| 34 | F | 95.3 | Very high | 95.2 | Very high | 10 Ų | 10 | 65.8 Ų | 65.8 | 4% | 0.044 | 33% | 0.334 | C | S | . | . | G | 310 helix | trans | -85.3 | -6.4 | 175.9 | -71.8 | -74.4 | 0 | 0 | 0 | 113.7 | V25 Y26 W27 N31 P32 W36 Y39 L143 R144 L145 | V25-F34 HydrophobicContact CG1-CE2 4.28Å; V25-F34 HydrophobicContact CG1-CZ 4.03Å; Y26-F34 WeakPolarHBondContact O-CE2 3.39Å; W27-F34 AromaticContact CD2-CZ 3.98Å; W27-F34 HydrophobicContact CD2-CZ 3.98Å; W27-F34 HydrophobicContact CE3-CE1 4.42Å; W27-F34 AromaticContact CE3-CZ 3.77Å; W27-F34 HydrophobicContact CE3-CZ 3.77Å; W27-F34 HydrophobicContact CH2-CE1 4.35Å; W27-F34 HydrophobicContact CH2-CZ 4.48Å; W27-F34 HydrophobicContact CZ3-CE1 4.31Å; W27-F34 HydrophobicContact CZ3-CZ 4.04Å; N31-F34 HydrophobicContact CB-CD2 3.97Å; N31-F34 HydrophobicContact CB-CE2 4.49Å; N31-F34 PolarHBondContact O-N 3.42Å; P32-F34 PolarHBondContact O-N 2.9Å; F34-W36 VanDerWaalsContact C-N 3.3Å; F34-W36 PolarHBondContact O-N 3.05Å; F34-Y39 AromaticContact CD1-CD1 3.89Å; F34-Y39 HydrophobicContact CD1-CD1 3.89Å; F34-Y39 AromaticContact CD2-CD1 3.9Å; F34-Y39 HydrophobicContact CD2-CD1 3.9Å; F34-Y39 HydrophobicContact CD2-CE1 4.14Å; F34-Y39 AromaticContact CE1-CD1 3.68Å; F34-Y39 HydrophobicContact CE1-CD1 3.68Å; F34-Y39 HydrophobicContact CE1-CE1 4.42Å; F34-Y39 AromaticContact CE2-CD1 3.67Å; F34-Y39 HydrophobicContact CE2-CD1 3.67Å; F34-Y39 AromaticContact CE2-CE1 3.68Å; F34-Y39 HydrophobicContact CE2-CE1 3.68Å; F34-Y39 HydrophobicContact CG-CD1 4.01Å; F34-Y39 AromaticContact CZ-CD1 3.56Å; F34-Y39 HydrophobicContact CZ-CD1 3.56Å; F34-Y39 AromaticContact CZ-CE1 3.85Å; F34-Y39 HydrophobicContact CZ-CE1 3.85Å; F34-L143 HydrophobicContact CB-CD2 3.94Å; F34-L143 HydrophobicContact CD1-CB 3.93Å; F34-L143 HydrophobicContact CD1-CD2 4.38Å; F34-L143 HydrophobicContact CE1-CB 4.02Å; F34-L143 HydrophobicContact CG-CB 4.39Å; F34-L143 HydrophobicContact CG-CD2 4.11Å; F34-R144 WeakPolarHBondContact CD1-O 3.49Å; F34-R144 VanDerWaalsContact CE1-O 3.28Å; F34-R144 WeakPolarHBondContact CE1-O 3.4Å; F34-L145 HydrophobicContact CE1-CB 4.45Å |
| 35 | M | 89.5 | Confident | 95.1 | Very high | 122 Ų | 122 | 64.9 Ų | 64.9 | 60% | 0.601 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.9 | -29 | -174.3 | -71.6 | 179.5 | 176.3 | 0 | 0 | 114 | P32 | P32-M35 HydrophobicContact CB-CE 4.3Å; P32-M35 HydrophobicContact CB-SD 4.13Å; P32-M35 WeakPolarHBondContact O-CB 3.43Å; P32-M35 PolarHBondContact O-N 3.34Å; P32-M35 VanDerWaalsContact O-N 3.1Å |
| 36 | W | 88.5 | Confident | 94.9 | Very high | 205 Ų | 205 | 68.8 Ų | 68.8 | 78% | 0.777 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.4 | 8.5 | -173.1 | -55.2 | 105.4 | 0 | 0 | 0 | 113.2 | F34 D38 | F34-W36 VanDerWaalsContact C-N 3.3Å; F34-W36 PolarHBondContact O-N 3.05Å; W36-D38 WeakPolarHBondContact CB-OD1 3.28Å; W36-D38 PolarHBondContact O-N 1.96Å |
| 37 | D | 88.5 | Confident | 94.8 | Very high | 73 Ų | 73 | 62.7 Ų | 62.7 | 39% | 0.39 | 32% | 0.32 | S | S | . | . | S | Bend | trans | 54.9 | 22.5 | 176.8 | -70 | -35.2 | 0 | 0 | 0 | 115.2 | R144 | D37-R144 PolarHBondContact O-NE 3.44Å; D37-R144 VanDerWaalsContact O-NE 3.12Å; D37-R144 PolarHBondContact O-NH2 2.8Å |
| 38 | D | 92.9 | Very high | 94.8 | Very high | 104 Ų | 104 | 65.5 Ų | 65.5 | 56% | 0.556 | 33% | 0.331 | S | S | * | . | trans | -119.4 | 12.2 | -178.1 | 67.6 | -13.8 | 0 | 0 | 0 | 113 | W36 T40 | W36-D38 WeakPolarHBondContact CB-OD1 3.28Å; W36-D38 PolarHBondContact O-N 1.96Å; D38-T40 PolarHBondContact O-N 2.88Å; D38-T40 PolarHBondContact O-OG1 3.49Å | ||
| 39 | Y | 97.4 | Very high | 95 | Very high | 32 Ų | 32 | 64 Ų | 64 | 13% | 0.125 | 32% | 0.324 | C | S | . | . | trans | -57.9 | 114.3 | -178.8 | -160.8 | 175.9 | 0 | 0 | 0 | 110.8 | V25 N33 F34 V41 L145 R146 | V25-Y39 HydrophobicContact CG1-CE1 3.76Å; N33-Y39 HydrophobicContact CB-CD1 3.44Å; N33-Y39 VanDerWaalsContact CB-CD1 3.44Å; N33-Y39 HydrophobicContact CB-CD2 3.77Å; N33-Y39 HydrophobicContact CB-CE1 3.4Å; N33-Y39 VanDerWaalsContact CB-CE1 3.4Å; N33-Y39 HydrophobicContact CB-CE2 3.76Å; N33-Y39 HydrophobicContact CB-CG 3.64Å; N33-Y39 WeakPolarHBondContact O-CB 3.42Å; F34-Y39 AromaticContact CD1-CD1 3.89Å; F34-Y39 HydrophobicContact CD1-CD1 3.89Å; F34-Y39 AromaticContact CD2-CD1 3.9Å; F34-Y39 HydrophobicContact CD2-CD1 3.9Å; F34-Y39 HydrophobicContact CD2-CE1 4.14Å; F34-Y39 AromaticContact CE1-CD1 3.68Å; F34-Y39 HydrophobicContact CE1-CD1 3.68Å; F34-Y39 HydrophobicContact CE1-CE1 4.42Å; F34-Y39 AromaticContact CE2-CD1 3.67Å; F34-Y39 HydrophobicContact CE2-CD1 3.67Å; F34-Y39 AromaticContact CE2-CE1 3.68Å; F34-Y39 HydrophobicContact CE2-CE1 3.68Å; F34-Y39 HydrophobicContact CG-CD1 4.01Å; F34-Y39 AromaticContact CZ-CD1 3.56Å; F34-Y39 HydrophobicContact CZ-CD1 3.56Å; F34-Y39 AromaticContact CZ-CE1 3.85Å; F34-Y39 HydrophobicContact CZ-CE1 3.85Å; Y39-V41 HydrophobicContact CE2-CG2 4.03Å; Y39-L145 HydrophobicContact CD1-CD1 4.25Å; Y39-L145 HydrophobicContact CD2-CD1 4.1Å; Y39-L145 HydrophobicContact CE2-CD1 4.48Å; Y39-L145 HydrophobicContact CG-CD1 3.96Å; Y39-R146 PolarHBondContact O-N 3.46Å | ||
| 40 | T | 97.9 | Very high | 95.2 | Very high | 58 Ų | 58 | 62.5 Ų | 62.5 | 36% | 0.356 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 140.1 | -179.6 | -54.3 | 0 | 0 | 0 | 0 | 110.6 | D38 R146 D148 | D38-T40 PolarHBondContact O-N 2.88Å; D38-T40 PolarHBondContact O-OG1 3.49Å; T40-R146 CarbonylContact C-O 3.59Å; T40-R146 VanDerWaalsContact CA-O 3.25Å; T40-R146 WeakPolarHBondContact CA-O 3.28Å; T40-R146 HydrophobicContact CG2-CB 4.18Å; T40-R146 HydrophobicContact CG2-CG 4.17Å; T40-D148 WeakPolarHBondContact CG2-OD2 3.34Å |
| 41 | V | 97.9 | Very high | 95.4 | Very high | 18 Ų | 18 | 58.3 Ų | 58.3 | 11% | 0.109 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 131 | 173.8 | 172.6 | 0 | 0 | 0 | 0 | 109.2 | H23 V25 Y39 V43 L49 L145 R146 V147 D148 | H23-V41 HydrophobicContact CB-CG1 3.95Å; V25-V41 HydrophobicContact CG2-CG2 3.9Å; Y39-V41 HydrophobicContact CE2-CG2 4.03Å; V41-V43 HydrophobicContact CG1-CG1 3.85Å; V41-L49 HydrophobicContact CG1-CD1 4.45Å; V41-L145 HydrophobicContact CB-CD1 4.46Å; V41-L145 HydrophobicContact CG2-CD1 3.92Å; V41-R146 PolarHBondContact N-O 3.06Å; V41-V147 CarbonylContact O-C 3.58Å; V41-V147 WeakPolarHBondContact O-CA 3.45Å; V41-D148 PolarHBondContact O-N 2.64Å |
| 42 | E | 97.5 | Very high | 95.5 | Very high | 135 Ų | 135 | 58.5 Ų | 58.5 | 63% | 0.631 | 28% | 0.283 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 127.8 | 173.5 | -67.6 | -173.4 | 176.7 | 0 | 0 | 110.3 | H23 D148 V150 | H23-E42 PolarHBondContact CE1-O 2.88Å; E42-D148 WeakPolarHBondContact CA-O 3.31Å; E42-V150 HydrophobicContact CB-CG1 3.95Å; E42-V150 HydrophobicContact CG-CG1 4.07Å |
| 43 | V | 97 | Very high | 95.6 | Very high | 1 Ų | 1 | 55 Ų | 55 | 1% | 0.006 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 156.9 | 179.2 | -55.9 | 0 | 0 | 0 | 0 | 110.8 | V41 D47 F110 V147 D148 V149 V150 | V41-V43 HydrophobicContact CG1-CG1 3.85Å; V43-D47 HydrophobicContact CB-CB 4.36Å; V43-F110 HydrophobicContact CB-CD2 4.35Å; V43-F110 HydrophobicContact CB-CG 4.46Å; V43-F110 HydrophobicContact CG1-CE2 4.41Å; V43-F110 HydrophobicContact CG2-CB 4.39Å; V43-F110 HydrophobicContact CG2-CD1 3.58Å; V43-F110 HydrophobicContact CG2-CD2 3.89Å; V43-F110 HydrophobicContact CG2-CE1 3.78Å; V43-F110 HydrophobicContact CG2-CE2 4.11Å; V43-F110 HydrophobicContact CG2-CG 3.64Å; V43-F110 HydrophobicContact CG2-CZ 4.07Å; V43-V147 HydrophobicContact CB-CG1 4.37Å; V43-V147 HydrophobicContact CG1-CG1 3.8Å; V43-V147 HydrophobicContact CG2-CG1 3.61Å; V43-D148 PolarHBondContact N-O 2.95Å; V43-V149 HydrophobicContact CG2-CB 4.41Å; V43-V149 HydrophobicContact CG2-CG2 3.87Å; V43-V149 CarbonylContact O-C 3.58Å; V43-V149 VanDerWaalsContact O-CA 3.26Å; V43-V149 WeakPolarHBondContact O-CA 3.36Å; V43-V150 PolarHBondContact O-N 3.44Å |
| 44 | R | 95.8 | Very high | 95.6 | Very high | 92 Ų | 92 | 51.6 Ų | 51.6 | 35% | 0.347 | 24% | 0.243 | S | C | . | . | trans | -102.9 | 163.8 | 170.1 | -64.1 | 178.2 | -58.9 | -87.7 | -8 | 110.9 | E21 N46 D47 V150 | E21-R44 IonicContact OE2-CZ 3.07Å; E21-R44 IonicContact OE2-NH1 3.71Å; E21-R44 PolarHBondContact OE2-NH1 2.93Å; E21-R44 IonicContact OE2-NH2 3.42Å; E21-R44 PolarHBondContact OE2-NH2 3.29Å; R44-N46 PolarHBondContact O-N 2.94Å; R44-D47 WeakPolarHBondContact CB-OD2 3.44Å; R44-D47 IonicContact CZ-OD2 3.56Å; R44-D47 PolarHBondContact N-OD2 3.34Å; R44-D47 IonicContact NE-OD2 3.66Å; R44-D47 IonicContact NH2-OD1 3.13Å; R44-D47 IonicContact NH2-OD2 3.83Å; R44-D47 VanDerWaalsContact O-CB 3.28Å; R44-D47 WeakPolarHBondContact O-CB 3.49Å; R44-D47 PolarHBondContact O-N 2.69Å; R44-V150 HydrophobicContact CG-CG2 3.54Å | ||
| 45 | I | 94.8 | Very high | 95.7 | Very high | 47 Ų | 47 | 54.4 Ų | 54.4 | 24% | 0.241 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | 134.9 | 168.5 | -64.5 | -66.3 | 0 | 0 | 0 | 109.4 | D47 F110 R112 F122 A124 V149 | I45-D47 VanDerWaalsContact C-N 3.3Å; I45-F110 CarbonylContact C-O 3.59Å; I45-F110 VanDerWaalsContact CA-O 3.31Å; I45-F110 WeakPolarHBondContact CA-O 2.88Å; I45-R112 HydrophobicContact CG2-CB 4.45Å; I45-F122 HydrophobicContact CD1-CB 4.28Å; I45-F122 WeakPolarHBondContact CD1-O 3.34Å; I45-A124 HydrophobicContact CG1-CB 4.26Å; I45-V149 HydrophobicContact CD1-CG1 3.67Å; I45-V149 HydrophobicContact CG1-CG1 3.99Å |
| 46 | N | 94.2 | Very high | 95.9 | Very high | 83 Ų | 83 | 50.4 Ų | 50.4 | 44% | 0.444 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 76.9 | -5.3 | -172.8 | -53.6 | -50.5 | 0 | 0 | 0 | 116.4 | A20 R44 F110 | A20-N46 WeakPolarHBondContact CB-O 3.26Å; R44-N46 PolarHBondContact O-N 2.94Å; N46-F110 PolarHBondContact N-O 3.39Å |
| 47 | D | 96.6 | Very high | 95.9 | Very high | 5 Ų | 5 | 43.6 Ų | 43.6 | 3% | 0.027 | 22% | 0.216 | C | C | . | . | trans | -68.6 | 166.6 | 169.3 | -69.5 | -11.1 | 0 | 0 | 0 | 110.8 | E21 H23 V43 R44 I45 F110 | E21-D47 PolarHBondContact N-OD1 3.47Å; E21-D47 WeakPolarHBondContact O-CA 3.24Å; E21-D47 WeakPolarHBondContact O-CB 3.31Å; H23-D47 IonicContact NE2-OD2 3.33Å; H23-D47 PolarHBondContact NE2-OD2 3.04Å; V43-D47 HydrophobicContact CB-CB 4.36Å; R44-D47 WeakPolarHBondContact CB-OD2 3.44Å; R44-D47 IonicContact CZ-OD2 3.56Å; R44-D47 PolarHBondContact N-OD2 3.34Å; R44-D47 IonicContact NE-OD2 3.66Å; R44-D47 IonicContact NH2-OD1 3.13Å; R44-D47 IonicContact NH2-OD2 3.83Å; R44-D47 VanDerWaalsContact O-CB 3.28Å; R44-D47 WeakPolarHBondContact O-CB 3.49Å; R44-D47 PolarHBondContact O-N 2.69Å; I45-D47 VanDerWaalsContact C-N 3.3Å; D47-F110 PolarHBondContact O-N 2.85Å | ||
| 48 | Y | 97.4 | Very high | 95.5 | Very high | 60 Ų | 60 | 47.4 Ų | 47.4 | 24% | 0.235 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 141.1 | 176.7 | -65.3 | -100.8 | 0 | 0 | 0 | 111 | A20 E21 R22 H23 E108 K109 | A20-Y48 HydrophobicContact CB-CD2 4.12Å; A20-Y48 HydrophobicContact CB-CE2 3.97Å; E21-Y48 PolarHBondContact O-N 3.02Å; R22-Y48 WeakPolarHBondContact CA-O 3.25Å; H23-Y48 PolarHBondContact N-O 2.96Å; Y48-E108 CarbonylContact C-O 3.55Å; Y48-E108 VanDerWaalsContact CA-O 3.24Å; Y48-E108 WeakPolarHBondContact CA-O 3.3Å; Y48-K109 HydrophobicContact CD1-CB 3.92Å; Y48-K109 HydrophobicContact CD1-CG 4.16Å; Y48-K109 HydrophobicContact CE1-CB 3.71Å; Y48-K109 HydrophobicContact CE1-CD 3.95Å; Y48-K109 HydrophobicContact CE1-CG 3.75Å; Y48-K109 HydrophobicContact CE2-CD 4.46Å; Y48-K109 HydrophobicContact CE2-CG 4.28Å; Y48-K109 WeakPolarHBondContact OH-CD 3.4Å |
| 49 | L | 98.3 | Very high | 94.9 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 120.4 | 164.6 | 177.5 | 71.2 | 0 | 0 | 0 | 108.8 | H23 V25 V41 I51 S107 E108 F110 Y130 L145 V147 | H23-L49 HydrophobicContact CB-CD1 4.11Å; H23-L49 CarbonylContact O-C 3.57Å; H23-L49 WeakPolarHBondContact O-CA 3.25Å; V25-L49 HydrophobicContact CG2-CD1 3.74Å; V41-L49 HydrophobicContact CG1-CD1 4.45Å; L49-I51 HydrophobicContact CD2-CD1 4.23Å; L49-I51 HydrophobicContact CD2-CG1 4.11Å; L49-I51 HydrophobicContact CG-CG1 4.11Å; L49-S107 CarbonylContact O-C 3.51Å; L49-S107 WeakPolarHBondContact O-CA 3.42Å; L49-E108 HydrophobicContact CB-CB 4.48Å; L49-E108 PolarHBondContact N-O 3.29Å; L49-E108 PolarHBondContact O-N 2.88Å; L49-F110 HydrophobicContact CB-CD2 4.5Å; L49-F110 HydrophobicContact CB-CE2 3.55Å; L49-F110 HydrophobicContact CB-CZ 4.29Å; L49-F110 HydrophobicContact CD2-CE2 4.4Å; L49-F110 HydrophobicContact CD2-CZ 4.35Å; L49-Y130 HydrophobicContact CD2-CE2 4.36Å; L49-L145 HydrophobicContact CD2-CD2 4.04Å; L49-V147 HydrophobicContact CD2-CG2 3.85Å |
| 50 | D | 98.3 | Very high | 94.1 | Very high | 7 Ų | 7 | 56.5 Ų | 56.5 | 4% | 0.037 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 105 | 174.9 | -78.7 | -7.7 | 0 | 0 | 0 | 108.6 | H23 S24 V25 K105 F106 S107 | H23-D50 PolarHBondContact O-N 2.62Å; S24-D50 CarbonylContact C-O 3.54Å; S24-D50 WeakPolarHBondContact CA-O 3.28Å; V25-D50 PolarHBondContact N-O 3.18Å; D50-K105 HydrophobicContact CB-CD 3.94Å; D50-K105 HydrophobicContact CB-CG 4.26Å; D50-K105 IonicContact OD1-NZ 2.7Å; D50-K105 IonicContact OD2-NZ 3.82Å; D50-K105 PolarHBondContact OD2-NZ 3.47Å; D50-F106 CarbonylContact C-O 3.49Å; D50-F106 WeakPolarHBondContact CA-O 3.34Å; D50-S107 VanDerWaalsContact OD1-CB 3.29Å; D50-S107 WeakPolarHBondContact OD1-CB 3.36Å; D50-S107 PolarHBondContact OD1-OG 3.38Å |
| 51 | I | 98.4 | Very high | 93.5 | Very high | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 117.4 | 170.6 | -57.2 | -177.6 | 0 | 0 | 0 | 108.2 | W27 L49 L71 K105 F106 Y130 | W27-I51 HydrophobicContact CB-CG2 3.76Å; W27-I51 HydrophobicContact CD2-CG2 4.11Å; W27-I51 HydrophobicContact CE3-CD1 4.23Å; W27-I51 HydrophobicContact CE3-CG2 3.71Å; W27-I51 HydrophobicContact CG-CG2 4.16Å; W27-I51 HydrophobicContact CZ3-CD1 4.17Å; L49-I51 HydrophobicContact CD2-CD1 4.23Å; L49-I51 HydrophobicContact CD2-CG1 4.11Å; L49-I51 HydrophobicContact CG-CG1 4.11Å; I51-L71 HydrophobicContact CD1-CD1 4.44Å; I51-L71 HydrophobicContact CG2-CD1 3.81Å; I51-K105 WeakPolarHBondContact O-CA 3.46Å; I51-F106 HydrophobicContact CB-CB 4.47Å; I51-F106 HydrophobicContact CB-CD1 4.28Å; I51-F106 HydrophobicContact CD1-CD1 4.09Å; I51-F106 HydrophobicContact CD1-CE1 4.5Å; I51-F106 HydrophobicContact CG1-CD1 4.29Å; I51-F106 PolarHBondContact N-O 2.84Å; I51-F106 PolarHBondContact O-N 3.21Å; I51-Y130 HydrophobicContact CD1-CD1 4.34Å |
| 52 | I | 98.4 | Very high | 93 | Very high | 20 Ų | 20 | 57.8 Ų | 57.8 | 10% | 0.103 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 116.8 | -176.7 | -56 | 170.6 | 0 | 0 | 0 | 108.1 | V25 Y26 W27 P103 K105 | V25-I52 PolarHBondContact O-N 3.41Å; Y26-I52 HydrophobicContact CD1-CB 4Å; Y26-I52 HydrophobicContact CD1-CD1 4.06Å; Y26-I52 HydrophobicContact CD1-CG2 3.89Å; Y26-I52 HydrophobicContact CE1-CB 4.31Å; Y26-I52 HydrophobicContact CE1-CD1 3.65Å; Y26-I52 HydrophobicContact CE1-CG2 3.98Å; Y26-I52 HydrophobicContact CE2-CD1 4.19Å; W27-I52 PolarHBondContact N-O 3.1Å; I52-P103 HydrophobicContact CG2-CB 3.62Å; I52-P103 HydrophobicContact CG2-CG 4.22Å; I52-K105 HydrophobicContact CG1-CD 4.44Å; I52-K105 HydrophobicContact CG1-CG 4.29Å |
| 53 | C | 97.6 | Very high | 92.4 | Very high | 6 Ų | 6 | 54.6 Ų | 54.6 | 4% | 0.041 | 27% | 0.273 | C | S | . | . | P | Polyproline II helix | trans | -68.1 | 158.4 | 179.7 | -64.8 | 0 | 0 | 0 | 0 | 112.1 | H55 C94 E104 | C53-H55 PolarHBondContact O-N 3.46Å; C53-C94 HydrophobicContact CB-CB 3.57Å; C53-C94 WeakPolarHBondContact CB-SG 3.5Å; C53-C94 WeakPolarHBondContact SG-CA 3.38Å; C53-C94 WeakPolarHBondContact SG-CB 3.35Å; C53-C94 CovalentContact SG-SG 2.04Å; C53-C94 PolarHBondContact SG-SG 2.82Å; C53-E104 HydrophobicContact CB-CB 4Å; C53-E104 WeakPolarHBondContact CB-O 3.35Å; C53-E104 PolarHBondContact N-O 3.25Å; C53-E104 PolarHBondContact SG-O 3.29Å |
| 54 | P | 96.5 | Very high | 91.8 | Very high | 6 Ų | 6 | 60.9 Ų | 60.9 | 4% | 0.039 | 30% | 0.302 | C | S | . | . | P | Polyproline II helix | trans | -55 | 136.7 | 169.5 | -19.9 | 30.6 | 0 | 0 | 0 | 110.9 | W27 N28 Y56 E67 Y69 | W27-P54 VanDerWaalsContact O-CD 3.25Å; W27-P54 WeakPolarHBondContact O-CD 3.27Å; W27-P54 VanDerWaalsContact O-CG 3.24Å; W27-P54 WeakPolarHBondContact O-CG 3.41Å; N28-P54 HydrophobicContact CB-CB 4.41Å; N28-P54 HydrophobicContact CB-CG 4.1Å; P54-Y56 HydrophobicContact CB-CE2 3.69Å; P54-E67 HydrophobicContact CB-CB 4Å; P54-E67 HydrophobicContact CG-CB 3.84Å; P54-Y69 HydrophobicContact CG-CD2 3.89Å; P54-Y69 HydrophobicContact CG-CE2 3.85Å |
| 55 | H | 95.8 | Very high | 91.5 | Very high | 68 Ų | 68 | 59.1 Ų | 59.1 | 32% | 0.315 | 30% | 0.304 | S | S | . | . | trans | -138.7 | 134.6 | 178.4 | -177.2 | 117.5 | 0 | 0 | 0 | 109 | C53 P97 A99 P103 | C53-H55 PolarHBondContact O-N 3.46Å; H55-P97 CarbonylContact C-O 3.59Å; H55-P97 WeakPolarHBondContact CA-O 3.46Å; H55-A99 PolarHBondContact CE1-O 2.96Å; H55-P103 HydrophobicContact CB-CB 3.84Å; H55-P103 HydrophobicContact CB-CG 3.7Å; H55-P103 WeakPolarHBondContact ND1-CA 3.5Å | ||
| 56 | Y | 93.8 | Very high | 91.4 | Very high | 39 Ų | 39 | 56.9 Ų | 56.9 | 15% | 0.153 | 29% | 0.292 | C | S | . | . | trans | -134.8 | 149.9 | -179.1 | -53.6 | -86.4 | 0 | 0 | 0 | 109.3 | P54 V61 A66 E67 P97 F98 | P54-Y56 HydrophobicContact CB-CE2 3.69Å; Y56-V61 HydrophobicContact CD1-CB 4.06Å; Y56-V61 HydrophobicContact CD1-CG2 3.51Å; Y56-V61 HydrophobicContact CE1-CG2 4.08Å; Y56-V61 HydrophobicContact CG-CB 4.23Å; Y56-V61 HydrophobicContact CG-CG2 4.16Å; Y56-A66 HydrophobicContact CD2-CB 3.76Å; Y56-A66 HydrophobicContact CE2-CB 3.98Å; Y56-E67 HydrophobicContact CE2-CB 4.46Å; Y56-E67 WeakPolarHBondContact OH-CG 3.45Å; Y56-E67 PolarHBondContact OH-OE1 3.23Å; Y56-P97 HydrophobicContact CD2-CB 3.99Å; Y56-P97 HydrophobicContact CE2-CB 4.43Å; Y56-P97 PolarHBondContact N-O 2.96Å; Y56-F98 WeakPolarHBondContact O-CD1 3.46Å | ||
| 57 | T | 89.3 | Confident | 91.5 | Very high | 62 Ų | 62 | 53.8 Ų | 53.8 | 38% | 0.38 | 28% | 0.275 | S | S | . | . | trans | -79.5 | 154.9 | 167.2 | 71.8 | 0 | 0 | 0 | 0 | 109.9 | E59 E60 | T57-E59 PolarHBondContact O-N 3.15Å; T57-E59 VanDerWaalsContact O-N 3.08Å; T57-E60 VanDerWaalsContact CG2-OE1 3.24Å; T57-E60 WeakPolarHBondContact CG2-OE1 3.3Å; T57-E60 PolarHBondContact O-N 3.35Å; T57-E60 WeakPolarHBondContact OG1-CG 3.46Å; T57-E60 PolarHBondContact OG1-OE1 2.96Å | ||
| 58 | H | 80.1 | Confident | 91.5 | Very high | 153 Ų | 153 | 55.1 Ų | 55.1 | 71% | 0.708 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -19.6 | -176.1 | -85.2 | -77.4 | 0 | 0 | 0 | 114.3 | F98 | H58-F98 AromaticContact CE1-CG 3.94Š|
| 59 | E | 80.2 | Confident | 91.5 | Very high | 196 Ų | 196 | 52.3 Ų | 52.3 | 92% | 0.916 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98 | -20.3 | -176.6 | -60.6 | -175 | 178.3 | 0 | 0 | 113 | T57 | T57-E59 PolarHBondContact O-N 3.15Å; T57-E59 VanDerWaalsContact O-N 3.08Å |
| 60 | E | 79.9 | Confident | 91.4 | Very high | 130 Ų | 130 | 53.2 Ų | 53.2 | 61% | 0.607 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.7 | -41.5 | -176 | -78.9 | 161.4 | -150.1 | 0 | 0 | 112.9 | T57 | T57-E60 VanDerWaalsContact CG2-OE1 3.24Å; T57-E60 WeakPolarHBondContact CG2-OE1 3.3Å; T57-E60 PolarHBondContact O-N 3.35Å; T57-E60 WeakPolarHBondContact OG1-CG 3.46Å; T57-E60 PolarHBondContact OG1-OE1 2.96Å |
| 61 | V | 86.4 | Confident | 91.4 | Very high | 33 Ų | 33 | 52.9 Ų | 52.9 | 20% | 0.2 | 27% | 0.273 | C | S | . | . | S | Bend | trans | -140.5 | 128.4 | -167.4 | -176.4 | 0 | 0 | 0 | 0 | 110.8 | Y56 S65 A66 | Y56-V61 HydrophobicContact CD1-CB 4.06Å; Y56-V61 HydrophobicContact CD1-CG2 3.51Å; Y56-V61 HydrophobicContact CE1-CG2 4.08Å; Y56-V61 HydrophobicContact CG-CB 4.23Å; Y56-V61 HydrophobicContact CG-CG2 4.16Å; V61-S65 WeakPolarHBondContact CG1-OG 3.36Å; V61-A66 HydrophobicContact CG1-CB 4.38Å |
| 62 | P | 87.6 | Confident | 91.4 | Very high | 71 Ų | 71 | 54.2 Ų | 54.2 | 46% | 0.461 | 28% | 0.278 | S | S | . | . | trans | -55.5 | 146.3 | 170.3 | -25.9 | 33.1 | 0 | 0 | 0 | 113 | H64 S65 A66 | P62-H64 WeakPolarHBondContact CB-CE1 3.34Å; P62-H64 WeakPolarHBondContact CB-ND1 3.28Å; P62-H64 PolarHBondContact O-N 2.84Å; P62-S65 WeakPolarHBondContact CD-OG 3.08Å; P62-S65 PolarHBondContact O-N 3.46Å; P62-S65 PolarHBondContact O-OG 3.04Å; P62-A66 PolarHBondContact O-N 2.96Å | ||
| 63 | S | 84.9 | Confident | 91.3 | Very high | 68 Ų | 68 | 54.4 Ų | 54.4 | 48% | 0.476 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | -25.1 | -178.1 | -176.4 | 0 | 0 | 0 | 0 | 114.7 | R68 | S63-R68 PolarHBondContact O-NH1 3.45Å; S63-R68 PolarHBondContact O-NH2 3.4Å; S63-R68 PolarHBondContact OG-NH2 3.24Å |
| 64 | H | 83.9 | Confident | 91.3 | Very high | 133 Ų | 133 | 54.4 Ų | 54.4 | 62% | 0.616 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.2 | -7.4 | 178.9 | 66.4 | -95.5 | 0 | 0 | 0 | 113.9 | P62 H138 | P62-H64 WeakPolarHBondContact CB-CE1 3.34Å; P62-H64 WeakPolarHBondContact CB-ND1 3.28Å; P62-H64 PolarHBondContact O-N 2.84Å; H64-H138 VanDerWaalsContact CA-CE1 3.47Å; H64-H138 WeakPolarHBondContact CA-CE1 3.43Å; H64-H138 PolarHBondContact O-CE1 2.86Å; H64-H138 PolarHBondContact O-ND1 2.97Å |
| 65 | S | 88.4 | Confident | 91.3 | Very high | 55 Ų | 55 | 60 Ų | 60 | 39% | 0.385 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.4 | -11.6 | 173.7 | 50.3 | 0 | 0 | 0 | 0 | 112.3 | V61 P62 E67 | V61-S65 WeakPolarHBondContact CG1-OG 3.36Å; P62-S65 WeakPolarHBondContact CD-OG 3.08Å; P62-S65 PolarHBondContact O-N 3.46Å; P62-S65 PolarHBondContact O-OG 3.04Å; S65-E67 PolarHBondContact O-N 3.39Å |
| 66 | A | 93.8 | Very high | 91.4 | Very high | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 31% | 0.31 | C | S | . | . | S | Bend | trans | -67.1 | 120.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111 | Y56 V61 P62 P97 F98 H138 | Y56-A66 HydrophobicContact CD2-CB 3.76Å; Y56-A66 HydrophobicContact CE2-CB 3.98Å; V61-A66 HydrophobicContact CG1-CB 4.38Å; P62-A66 PolarHBondContact O-N 2.96Å; A66-P97 HydrophobicContact CB-CB 3.94Å; A66-P97 HydrophobicContact CB-CG 4.02Å; A66-F98 HydrophobicContact CB-CE1 4.42Å; A66-F98 HydrophobicContact CB-CE2 3.85Å; A66-F98 HydrophobicContact CB-CZ 3.55Å; A66-H138 WeakPolarHBondContact O-CB 3.47Å |
| 67 | E | 96 | Very high | 91.5 | Very high | 17 Ų | 17 | 65.7 Ų | 65.7 | 8% | 0.079 | 33% | 0.331 | C | S | . | . | trans | -63.8 | 137.8 | -178 | -62.2 | -179.3 | -139.6 | 0 | 0 | 112 | S29 P54 Y56 S65 Y69 H138 | S29-E67 PolarHBondContact N-OE2 3.1Å; S29-E67 VanDerWaalsContact OG-CD 3.29Å; S29-E67 PolarHBondContact OG-OE1 3.09Å; S29-E67 PolarHBondContact OG-OE2 2.7Å; P54-E67 HydrophobicContact CB-CB 4Å; P54-E67 HydrophobicContact CG-CB 3.84Å; Y56-E67 HydrophobicContact CE2-CB 4.46Å; Y56-E67 WeakPolarHBondContact OH-CG 3.45Å; Y56-E67 PolarHBondContact OH-OE1 3.23Å; S65-E67 PolarHBondContact O-N 3.39Å; E67-Y69 HydrophobicContact CB-CE2 3.76Å; E67-Y69 HydrophobicContact CG-CE2 4.5Å; E67-Y69 VanDerWaalsContact OE2-CE2 3.3Å; E67-Y69 WeakPolarHBondContact OE2-CE2 3.45Å; E67-Y69 PolarHBondContact OE2-OH 3.47Å; E67-H138 CarbonylContact C-O 3.52Å; E67-H138 WeakPolarHBondContact CA-O 3.39Å | ||
| 68 | R | 96.2 | Very high | 91.9 | Very high | 34 Ų | 34 | 64.1 Ų | 64.1 | 13% | 0.128 | 32% | 0.32 | C | S | . | . | trans | -140.6 | 138.2 | 177.9 | -64.8 | -178 | -176.5 | 93.9 | -0.5 | 109.4 | S63 P97 P134 M135 H138 | S63-R68 PolarHBondContact O-NH1 3.45Å; S63-R68 PolarHBondContact O-NH2 3.4Å; S63-R68 PolarHBondContact OG-NH2 3.24Å; R68-P97 HydrophobicContact CG-CG 3.97Å; R68-P134 WeakPolarHBondContact O-CA 3.1Å; R68-M135 HydrophobicContact CB-CB 3.8Å; R68-M135 HydrophobicContact CB-CG 4.2Å; R68-M135 HydrophobicContact CB-SD 4.05Å; R68-M135 PolarHBondContact O-N 3.41Å; R68-H138 PolarHBondContact N-O 3.15Å; R68-H138 PolarHBondContact NH1-CD2 3.38Å; R68-H138 VanDerWaalsContact NH1-CD2 3.31Å | ||
| 69 | Y | 97.3 | Very high | 92.7 | Very high | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 144.3 | -171.7 | -66.3 | -67.6 | 0 | 0 | 0 | 112.9 | W27 P54 E67 C94 K133 P134 G139 S140 L143 | W27-Y69 AromaticContact CD1-CD2 3.9Å; P54-Y69 HydrophobicContact CG-CD2 3.89Å; P54-Y69 HydrophobicContact CG-CE2 3.85Å; E67-Y69 HydrophobicContact CB-CE2 3.76Å; E67-Y69 HydrophobicContact CG-CE2 4.5Å; E67-Y69 VanDerWaalsContact OE2-CE2 3.3Å; E67-Y69 WeakPolarHBondContact OE2-CE2 3.45Å; E67-Y69 PolarHBondContact OE2-OH 3.47Å; Y69-C94 PolarHBondContact N-O 3.42Å; Y69-C94 WeakPolarHBondContact O-CA 3.4Å; Y69-C94 WeakPolarHBondContact O-CB 3.48Å; Y69-C94 PolarHBondContact O-N 2.93Å; Y69-K133 WeakPolarHBondContact CA-O 3.41Å; Y69-P134 HydrophobicContact CD1-CB 4.4Å; Y69-P134 HydrophobicContact CE1-CB 4.2Å; Y69-G139 WeakPolarHBondContact OH-CA 3.46Å; Y69-S140 WeakPolarHBondContact CE1-O 3.4Å; Y69-S140 PolarHBondContact OH-N 3.04Å; Y69-L143 HydrophobicContact CE1-CD1 4.36Å; Y69-L143 HydrophobicContact CE2-CD1 3.98Å |
| 70 | V | 97.2 | Very high | 93.5 | Very high | 19 Ų | 19 | 51.7 Ų | 51.7 | 12% | 0.115 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 126.9 | 159.6 | -172.9 | 0 | 0 | 0 | 0 | 108.1 | Y72 L90 E93 S132 K133 M135 | V70-Y72 HydrophobicContact CB-CE2 3.81Å; V70-Y72 HydrophobicContact CG1-CD2 4.35Å; V70-Y72 HydrophobicContact CG1-CE1 4.25Å; V70-Y72 HydrophobicContact CG1-CE2 3.59Å; V70-Y72 WeakPolarHBondContact CG1-OH 3.2Å; V70-L90 HydrophobicContact CG1-CD1 3.58Å; V70-L90 HydrophobicContact CG1-CG 3.93Å; V70-E93 HydrophobicContact CG1-CG 4.21Å; V70-E93 HydrophobicContact CG2-CG 4.39Å; V70-S132 VanDerWaalsContact O-CA 3.24Å; V70-S132 WeakPolarHBondContact O-CA 3.4Å; V70-K133 PolarHBondContact N-O 2.8Å; V70-K133 PolarHBondContact O-N 3.28Å; V70-M135 HydrophobicContact CG2-CG 3.67Å; V70-M135 HydrophobicContact CG2-SD 4.14Å |
| 71 | L | 97.6 | Very high | 94.3 | Very high | 1 Ų | 1 | 50.6 Ų | 50.6 | 1% | 0.005 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 132.3 | 179.7 | -64.7 | 172.9 | 0 | 0 | 0 | 110.2 | W27 I51 R91 W92 | W27-L71 HydrophobicContact CD2-CD2 3.63Å; W27-L71 HydrophobicContact CE3-CD2 4.2Å; W27-L71 HydrophobicContact CG-CD2 4.03Å; W27-L71 HydrophobicContact CH2-CD2 4.15Å; W27-L71 HydrophobicContact CZ2-CD2 3.57Å; W27-L71 HydrophobicContact CZ3-CD2 4.43Å; I51-L71 HydrophobicContact CD1-CD1 4.44Å; I51-L71 HydrophobicContact CG2-CD1 3.81Å; L71-R91 PolarHBondContact O-N 3.38Å; L71-W92 HydrophobicContact CB-CB 4.19Å; L71-W92 HydrophobicContact CD1-CB 4.1Å; L71-W92 PolarHBondContact N-O 2.67Å; L71-W92 PolarHBondContact O-N 3.08Å |
| 72 | Y | 97.8 | Very high | 94.7 | Very high | 28 Ų | 28 | 49.5 Ų | 49.5 | 11% | 0.11 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 141.4 | 177.2 | -59.6 | -93.7 | 0 | 0 | 0 | 109.8 | V70 P84 Q89 L90 Y130 I131 K133 | V70-Y72 HydrophobicContact CB-CE2 3.81Å; V70-Y72 HydrophobicContact CG1-CD2 4.35Å; V70-Y72 HydrophobicContact CG1-CE1 4.25Å; V70-Y72 HydrophobicContact CG1-CE2 3.59Å; V70-Y72 WeakPolarHBondContact CG1-OH 3.2Å; Y72-P84 HydrophobicContact CD1-CB 3.61Å; Y72-P84 HydrophobicContact CD1-CG 4.05Å; Y72-P84 HydrophobicContact CD2-CB 4.23Å; Y72-P84 HydrophobicContact CD2-CG 4.07Å; Y72-P84 HydrophobicContact CE1-CB 4.01Å; Y72-P84 HydrophobicContact CE1-CG 4.03Å; Y72-P84 HydrophobicContact CE2-CG 4.04Å; Y72-P84 HydrophobicContact CG-CB 3.74Å; Y72-P84 HydrophobicContact CG-CG 4.08Å; Y72-Q89 VanDerWaalsContact CA-O 3.29Å; Y72-Q89 WeakPolarHBondContact CA-O 3.38Å; Y72-Q89 HydrophobicContact CD1-CB 4.28Å; Y72-L90 HydrophobicContact CD1-CB 4.33Å; Y72-L90 HydrophobicContact CE1-CB 4.16Å; Y72-Y130 VanDerWaalsContact O-CA 3.31Å; Y72-Y130 WeakPolarHBondContact O-CA 3.4Å; Y72-I131 PolarHBondContact N-O 2.91Å; Y72-I131 PolarHBondContact O-N 2.87Å; Y72-K133 HydrophobicContact CE2-CB 4.18Å; Y72-K133 HydrophobicContact CE2-CG 4.06Å |
| 73 | M | 97.2 | Very high | 95.1 | Very high | 24 Ų | 24 | 52.9 Ų | 52.9 | 12% | 0.118 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 117.2 | 165.1 | -173.6 | -179 | -168.2 | 0 | 0 | 107.8 | Q89 R91 K120 F122 Y128 Y129 Y130 | M73-Q89 PolarHBondContact N-O 2.98Å; M73-Q89 WeakPolarHBondContact O-CB 3.39Å; M73-R91 HydrophobicContact CB-CB 4.28Å; M73-R91 HydrophobicContact CB-CG 4.49Å; M73-K120 HydrophobicContact CE-CD 3.96Å; M73-K120 HydrophobicContact CE-CG 3.8Å; M73-K120 HydrophobicContact SD-CB 4.36Å; M73-K120 HydrophobicContact SD-CD 3.76Å; M73-K120 HydrophobicContact SD-CG 3.71Å; M73-F122 HydrophobicContact CE-CE1 3.66Å; M73-F122 HydrophobicContact CE-CZ 4.18Å; M73-Y128 HydrophobicContact CE-CD1 3.44Å; M73-Y128 VanDerWaalsContact CE-CD1 3.44Å; M73-Y128 HydrophobicContact CE-CE1 4.4Å; M73-Y128 HydrophobicContact CE-CG 3.84Å; M73-Y129 WeakPolarHBondContact CA-O 3.48Å; M73-Y130 HydrophobicContact CB-CD1 4.31Å; M73-Y130 HydrophobicContact CB-CE1 4.08Å; M73-Y130 HydrophobicContact CG-CE1 4.13Å |
| 74 | V | 97.4 | Very high | 95.6 | Very high | 6 Ų | 6 | 50.8 Ų | 50.8 | 4% | 0.036 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 165.3 | -167.2 | -60.9 | 0 | 0 | 0 | 0 | 112.3 | D78 P84 Q89 Y129 I131 | V74-D78 HydrophobicContact CB-CB 3.76Å; V74-D78 HydrophobicContact CG1-CB 4.33Å; V74-D78 HydrophobicContact CG2-CB 4.12Å; V74-P84 HydrophobicContact CG1-CB 4.27Å; V74-Q89 HydrophobicContact CG1-CB 4.5Å; V74-Y129 PolarHBondContact N-O 3.12Å; V74-I131 HydrophobicContact CG1-CD1 3.83Å; V74-I131 HydrophobicContact CG1-CG1 3.85Å; V74-I131 HydrophobicContact CG2-CD1 4.12Å; V74-I131 HydrophobicContact CG2-CG1 4Å; V74-I131 HydrophobicContact CG2-CG2 3.98Å |
| 75 | E | 96.9 | Very high | 96.1 | Very high | 124 Ų | 124 | 51.8 Ų | 51.8 | 58% | 0.579 | 26% | 0.258 | S | S | * | . | trans | -76.8 | 167.5 | 169.9 | -62.4 | -58.2 | 151 | 0 | 0 | 110.8 | E77 D78 Y79 | E75-E77 VanDerWaalsContact C-N 3.31Å; E75-E77 PolarHBondContact O-N 3.24Å; E75-D78 PolarHBondContact O-N 2.86Å; E75-Y79 PolarHBondContact O-N 2.85Å | ||
| 76 | K | 97.2 | Very high | 96.3 | Very high | 99 Ų | 99 | 51.1 Ų | 51.1 | 43% | 0.43 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -59.7 | -41.4 | -175 | -174.5 | -176.8 | 172.9 | -167.6 | 0 | 112.3 | D78 Y79 D80 Y129 | K76-D78 VanDerWaalsContact C-N 3.32Å; K76-D78 PolarHBondContact O-N 3.26Å; K76-Y79 WeakPolarHBondContact O-CB 3.36Å; K76-Y79 PolarHBondContact O-N 2.94Å; K76-D80 PolarHBondContact O-N 2.84Å; K76-Y129 HydrophobicContact CB-CD2 4.23Å; K76-Y129 HydrophobicContact CB-CE2 3.7Å; K76-Y129 HydrophobicContact CG-CE1 4.4Å; K76-Y129 HydrophobicContact CG-CE2 4.13Å |
| 77 | E | 97.3 | Very high | 96.1 | Very high | 127 Ų | 127 | 57.8 Ų | 57.8 | 59% | 0.593 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -62.4 | -42.6 | -177.9 | -62.2 | 70.7 | -153.4 | 0 | 0 | 111.2 | E75 D80 V81 | E75-E77 VanDerWaalsContact C-N 3.31Å; E75-E77 PolarHBondContact O-N 3.24Å; E77-D80 PolarHBondContact O-N 2.84Å; E77-V81 WeakPolarHBondContact O-CG2 3.38Å; E77-V81 PolarHBondContact O-N 2.9Å |
| 78 | D | 97.1 | Very high | 95.8 | Very high | 29 Ų | 29 | 64 Ų | 64 | 16% | 0.155 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -69.1 | -34.6 | 177.5 | -72.5 | -19.9 | 0 | 0 | 0 | 112 | V74 E75 K76 C82 K83 H85 Q89 | V74-D78 HydrophobicContact CB-CB 3.76Å; V74-D78 HydrophobicContact CG1-CB 4.33Å; V74-D78 HydrophobicContact CG2-CB 4.12Å; E75-D78 PolarHBondContact O-N 2.86Å; K76-D78 VanDerWaalsContact C-N 3.32Å; K76-D78 PolarHBondContact O-N 3.26Å; D78-C82 CarbonylContact O-C 3.56Å; D78-C82 WeakPolarHBondContact O-CA 3.24Å; D78-C82 PolarHBondContact O-N 2.56Å; D78-K83 VanDerWaalsContact CB-O 3.26Å; D78-K83 WeakPolarHBondContact CB-O 3.48Å; D78-K83 PolarHBondContact O-N 3.48Å; D78-H85 WeakPolarHBondContact OD2-CB 3.34Å; D78-Q89 PolarHBondContact OD2-NE2 2.82Å |
| 79 | Y | 97.4 | Very high | 95.7 | Very high | 1 Ų | 1 | 64.1 Ų | 64.1 | 0% | 0.004 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -65.4 | -41.7 | 173.9 | 170.5 | -89.2 | 0 | 0 | 0 | 112.1 | E75 K76 C82 Y129 I131 R144 | E75-Y79 PolarHBondContact O-N 2.85Å; K76-Y79 WeakPolarHBondContact O-CB 3.36Å; K76-Y79 PolarHBondContact O-N 2.94Å; Y79-C82 PolarHBondContact O-N 2.75Å; Y79-Y129 AromaticContact CD1-CD1 3.77Å; Y79-Y129 HydrophobicContact CD1-CD1 3.77Å; Y79-Y129 HydrophobicContact CD1-CE1 4.25Å; Y79-Y129 AromaticContact CD2-CD1 3.76Å; Y79-Y129 HydrophobicContact CD2-CD1 3.76Å; Y79-Y129 HydrophobicContact CD2-CG 4.12Å; Y79-Y129 HydrophobicContact CE1-CD1 4.11Å; Y79-Y129 HydrophobicContact CE1-CE1 4.47Å; Y79-Y129 HydrophobicContact CE2-CD1 4.05Å; Y79-Y129 AromaticContact CG-CD1 3.58Å; Y79-Y129 HydrophobicContact CG-CD1 3.58Å; Y79-Y129 HydrophobicContact CG-CE1 4.47Å; Y79-Y129 AromaticContact CG-CG 3.96Å; Y79-Y129 HydrophobicContact CG-CG 3.96Å; Y79-I131 HydrophobicContact CD2-CG2 3.85Å; Y79-R144 HydrophobicContact CD2-CB 3.99Å; Y79-R144 HydrophobicContact CD2-CG 4.44Å; Y79-R144 HydrophobicContact CE2-CB 3.54Å; Y79-R144 HydrophobicContact CE2-CG 3.68Å; Y79-R144 PolarHBondContact O-NH1 3.49Å |
| 80 | D | 96.1 | Very high | 95.6 | Very high | 86 Ų | 86 | 66.4 Ų | 66.4 | 46% | 0.46 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -66.6 | -40.4 | -178.1 | -72.6 | -24 | 0 | 0 | 0 | 111.8 | K76 E77 C82 | K76-D80 PolarHBondContact O-N 2.84Å; E77-D80 PolarHBondContact O-N 2.84Å; D80-C82 VanDerWaalsContact C-N 3.34Å |
| 81 | V | 96.1 | Very high | 95.6 | Very high | 107 Ų | 107 | 69 Ų | 69 | 65% | 0.648 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.4 | -2.6 | 175.3 | -55.4 | 0 | 0 | 0 | 0 | 113.5 | E77 K83 | E77-V81 WeakPolarHBondContact O-CG2 3.38Å; E77-V81 PolarHBondContact O-N 2.9Å; V81-K83 HydrophobicContact CG2-CB 3.99Å; V81-K83 PolarHBondContact O-N 2.96Å |
| 82 | C | 95.5 | Very high | 95.6 | Very high | 11 Ų | 11 | 73 Ų | 73 | 7% | 0.074 | 35% | 0.353 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 45.3 | 56.3 | -173.9 | -160.5 | 0 | 0 | 0 | 0 | 115.1 | D78 Y79 D80 K133 C142 | D78-C82 CarbonylContact O-C 3.56Å; D78-C82 WeakPolarHBondContact O-CA 3.24Å; D78-C82 PolarHBondContact O-N 2.56Å; Y79-C82 PolarHBondContact O-N 2.75Å; D80-C82 VanDerWaalsContact C-N 3.34Å; C82-K133 VanDerWaalsContact O-CE 3.25Å; C82-K133 WeakPolarHBondContact O-CE 3.5Å; C82-K133 PolarHBondContact O-NZ 2.77Å; C82-C142 HydrophobicContact CB-CB 3.74Å; C82-C142 WeakPolarHBondContact CB-SG 3.24Å; C82-C142 WeakPolarHBondContact SG-CB 3.49Å; C82-C142 CovalentContact SG-SG 1.96Å; C82-C142 PolarHBondContact SG-SG 3.5Å |
| 83 | K | 95.8 | Very high | 95.5 | Very high | 141 Ų | 141 | 75.5 Ų | 75.5 | 61% | 0.613 | 37% | 0.365 | S | S | * | . | trans | -142 | 119.3 | 178.4 | -173.5 | -179.4 | 175.4 | -176.4 | 0 | 109 | D78 V81 | D78-K83 VanDerWaalsContact CB-O 3.26Å; D78-K83 WeakPolarHBondContact CB-O 3.48Å; D78-K83 PolarHBondContact O-N 3.48Å; V81-K83 HydrophobicContact CG2-CB 3.99Å; V81-K83 PolarHBondContact O-N 2.96Å | ||
| 84 | P | 95.3 | Very high | 95.5 | Very high | 24 Ų | 24 | 74.5 Ų | 74.5 | 16% | 0.156 | 36% | 0.361 | C | S | . | . | trans | -66.2 | 140.6 | 173.5 | 29.2 | -32.9 | 0 | 0 | 0 | 109.4 | Y72 V74 I131 | Y72-P84 HydrophobicContact CD1-CB 3.61Å; Y72-P84 HydrophobicContact CD1-CG 4.05Å; Y72-P84 HydrophobicContact CD2-CB 4.23Å; Y72-P84 HydrophobicContact CD2-CG 4.07Å; Y72-P84 HydrophobicContact CE1-CB 4.01Å; Y72-P84 HydrophobicContact CE1-CG 4.03Å; Y72-P84 HydrophobicContact CE2-CG 4.04Å; Y72-P84 HydrophobicContact CG-CB 3.74Å; Y72-P84 HydrophobicContact CG-CG 4.08Å; V74-P84 HydrophobicContact CG1-CB 4.27Å; P84-I131 HydrophobicContact CB-CD1 4.42Å | ||
| 85 | H | 93.8 | Very high | 95.4 | Very high | 155 Ų | 155 | 76.5 Ų | 76.5 | 72% | 0.718 | 38% | 0.375 | S | S | * | . | S | Bend | trans | -70.9 | -43.1 | 177.1 | -174.1 | 79.4 | 0 | 0 | 0 | 111.9 | D78 | D78-H85 WeakPolarHBondContact OD2-CB 3.34Š|
| 86 | S | 92.6 | Very high | 95.3 | Very high | 41 Ų | 41 | 77.7 Ų | 77.7 | 29% | 0.287 | 37% | 0.374 | S | S | . | . | trans | -146.2 | 166.8 | -179.3 | 77.1 | 0 | 0 | 0 | 0 | 112.9 | D88 Q89 | S86-D88 PolarHBondContact O-N 3.01Å; S86-D88 PolarHBondContact OG-N 2.87Å; S86-Q89 PolarHBondContact O-N 2.83Å | ||
| 87 | F | 90.4 | Very high | 95.2 | Very high | 140 Ų | 140 | 73.2 Ų | 73.2 | 61% | 0.614 | 36% | 0.355 | S | S | * | . | G | 310 helix | trans | -68.3 | -20.7 | 173.4 | -170.1 | -98.5 | 0 | 0 | 0 | 112.5 | Q89 L90 | F87-Q89 PolarHBondContact O-N 2.93Å; F87-L90 HydrophobicContact CD2-CD1 4.14Å; F87-L90 HydrophobicContact CE1-CD1 4.15Å; F87-L90 HydrophobicContact CE2-CD1 3.37Å; F87-L90 HydrophobicContact CZ-CD1 3.39Å; F87-L90 WeakPolarHBondContact O-CB 3.46Å; F87-L90 PolarHBondContact O-N 2.8Å |
| 88 | D | 90.7 | Very high | 95.1 | Very high | 148 Ų | 148 | 68.8 Ų | 68.8 | 79% | 0.791 | 33% | 0.334 | S | S | * | . | G | 310 helix | trans | -66.8 | -18.9 | 177.9 | -53.9 | -38.3 | 0 | 0 | 0 | 112.4 | S86 L90 | S86-D88 PolarHBondContact O-N 3.01Å; S86-D88 PolarHBondContact OG-N 2.87Å; D88-L90 PolarHBondContact O-N 2.7Å |
| 89 | Q | 93.5 | Very high | 94.9 | Very high | 35 Ų | 35 | 68 Ų | 68 | 16% | 0.164 | 33% | 0.332 | C | S | . | . | G | 310 helix | trans | -78.8 | -2.4 | 171.9 | -71.5 | 173 | -41.4 | 0 | 0 | 113 | Y72 M73 V74 D78 S86 F87 R91 | Y72-Q89 VanDerWaalsContact CA-O 3.29Å; Y72-Q89 WeakPolarHBondContact CA-O 3.38Å; Y72-Q89 HydrophobicContact CD1-CB 4.28Å; M73-Q89 PolarHBondContact N-O 2.98Å; M73-Q89 WeakPolarHBondContact O-CB 3.39Å; V74-Q89 HydrophobicContact CG1-CB 4.5Å; D78-Q89 PolarHBondContact OD2-NE2 2.82Å; S86-Q89 PolarHBondContact O-N 2.83Å; F87-Q89 PolarHBondContact O-N 2.93Å; Q89-R91 PolarHBondContact O-N 2.9Å |
| 90 | L | 95.9 | Very high | 94.5 | Very high | 48 Ų | 48 | 73.6 Ų | 73.6 | 25% | 0.251 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.2 | 125.5 | 176.4 | -176.7 | 153.1 | 0 | 0 | 0 | 109.5 | V70 Y72 F87 D88 E93 | V70-L90 HydrophobicContact CG1-CD1 3.58Å; V70-L90 HydrophobicContact CG1-CG 3.93Å; Y72-L90 HydrophobicContact CD1-CB 4.33Å; Y72-L90 HydrophobicContact CE1-CB 4.16Å; F87-L90 HydrophobicContact CD2-CD1 4.14Å; F87-L90 HydrophobicContact CE1-CD1 4.15Å; F87-L90 HydrophobicContact CE2-CD1 3.37Å; F87-L90 HydrophobicContact CZ-CD1 3.39Å; F87-L90 WeakPolarHBondContact O-CB 3.46Å; F87-L90 PolarHBondContact O-N 2.8Å; D88-L90 PolarHBondContact O-N 2.7Å; L90-E93 HydrophobicContact CD1-CG 4.18Å |
| 91 | R | 96.1 | Very high | 94.1 | Very high | 75 Ų | 75 | 78.1 Ų | 78.1 | 28% | 0.283 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | -38.3 | 179.6 | -166.6 | 69 | -172.5 | 90.9 | -4.5 | 112.7 | L71 M73 Q89 F106 E108 Y130 | L71-R91 PolarHBondContact O-N 3.38Å; M73-R91 HydrophobicContact CB-CB 4.28Å; M73-R91 HydrophobicContact CB-CG 4.49Å; Q89-R91 PolarHBondContact O-N 2.9Å; R91-F106 HydrophobicContact CG-CE1 3.91Å; R91-F106 HydrophobicContact CG-CE2 4.27Å; R91-F106 HydrophobicContact CG-CZ 3.61Å; R91-E108 IonicContact CZ-OE1 2.85Å; R91-E108 IonicContact CZ-OE2 2.8Å; R91-E108 IonicContact NE-OE2 3.91Å; R91-E108 PolarHBondContact NE-OE2 3.24Å; R91-E108 IonicContact NH2-OE1 2.78Å; R91-E108 PolarHBondContact NH2-OE1 3.2Å; R91-E108 IonicContact NH2-OE2 2.7Å; R91-E108 PolarHBondContact NH2-OE2 2.94Å; R91-Y130 HydrophobicContact CG-CE1 4.33Å |
| 92 | W | 97.2 | Very high | 94 | Very high | 85 Ų | 85 | 75.7 Ų | 75.7 | 32% | 0.322 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.7 | 160.4 | -177.5 | -166.5 | -103.1 | 0 | 0 | 0 | 112.8 | L71 E104 F106 | L71-W92 HydrophobicContact CB-CB 4.19Å; L71-W92 HydrophobicContact CD1-CB 4.1Å; L71-W92 PolarHBondContact N-O 2.67Å; L71-W92 PolarHBondContact O-N 3.08Å; W92-E104 HydrophobicContact CZ2-CG 4.13Å; W92-F106 HydrophobicContact CB-CB 4.16Å; W92-F106 HydrophobicContact CB-CD1 4.47Å; W92-F106 HydrophobicContact CB-CD2 4.08Å; W92-F106 HydrophobicContact CB-CG 3.96Å; W92-F106 HydrophobicContact CD2-CB 3.77Å; W92-F106 AromaticContact CD2-CD2 3.77Å; W92-F106 HydrophobicContact CD2-CD2 3.77Å; W92-F106 HydrophobicContact CD2-CG 4.05Å; W92-F106 HydrophobicContact CE3-CB 4.41Å; W92-F106 AromaticContact CE3-CD2 3.58Å; W92-F106 HydrophobicContact CE3-CD2 3.58Å; W92-F106 HydrophobicContact CE3-CE2 4.34Å; W92-F106 HydrophobicContact CE3-CG 4.32Å; W92-F106 HydrophobicContact CG-CB 3.61Å; W92-F106 HydrophobicContact CG-CD2 4.01Å; W92-F106 AromaticContact CG-CG 3.88Å; W92-F106 HydrophobicContact CG-CG 3.88Å; W92-F106 HydrophobicContact CZ3-CD2 4.28Å |
| 93 | E | 97.1 | Very high | 94 | Very high | 80 Ų | 80 | 77.9 Ų | 77.9 | 37% | 0.374 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 119.2 | 173.8 | -65.4 | -177.8 | -173.7 | 0 | 0 | 110.7 | V70 L90 S95 | V70-E93 HydrophobicContact CG1-CG 4.21Å; V70-E93 HydrophobicContact CG2-CG 4.39Å; L90-E93 HydrophobicContact CD1-CG 4.18Å; E93-S95 VanDerWaalsContact C-N 3.34Å; E93-S95 PolarHBondContact O-N 2.85Å |
| 94 | C | 96.8 | Very high | 94 | Very high | 3 Ų | 3 | 72.1 Ų | 72.1 | 2% | 0.02 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 76.2 | 168.6 | -68.3 | 0 | 0 | 0 | 0 | 109.4 | C53 Y69 | C53-C94 HydrophobicContact CB-CB 3.57Å; C53-C94 WeakPolarHBondContact CB-SG 3.5Å; C53-C94 WeakPolarHBondContact SG-CA 3.38Å; C53-C94 WeakPolarHBondContact SG-CB 3.35Å; C53-C94 CovalentContact SG-SG 2.04Å; C53-C94 PolarHBondContact SG-SG 2.82Å; Y69-C94 PolarHBondContact N-O 3.42Å; Y69-C94 WeakPolarHBondContact O-CA 3.4Å; Y69-C94 WeakPolarHBondContact O-CB 3.48Å; Y69-C94 PolarHBondContact O-N 2.93Å |
| 95 | S | 95.1 | Very high | 94 | Very high | 48 Ų | 48 | 75.9 Ų | 75.9 | 34% | 0.336 | 38% | 0.381 | S | S | . | . | trans | -97.7 | -15.6 | -171.9 | 61.8 | 0 | 0 | 0 | 0 | 114 | E93 P97 E104 | E93-S95 VanDerWaalsContact C-N 3.34Å; E93-S95 PolarHBondContact O-N 2.85Å; S95-P97 VanDerWaalsContact C-CD 3.44Å; S95-P97 WeakPolarHBondContact O-CD 3.29Å; S95-E104 PolarHBondContact N-OE2 3.46Å | ||
| 96 | R | 94.7 | Very high | 94.2 | Very high | 149 Ų | 149 | 69 Ų | 69 | 56% | 0.562 | 35% | 0.349 | S | S | * | . | trans | -115.5 | 75 | -172.3 | -64.8 | -176.5 | -67.3 | 167.9 | -2.2 | 113.4 | F98 A99 E104 | R96-F98 PolarHBondContact O-N 3.25Å; R96-A99 HydrophobicContact CB-CB 4.47Å; R96-A99 PolarHBondContact O-N 2.82Å; R96-E104 IonicContact CZ-OE1 3.56Å; R96-E104 PolarHBondContact N-OE2 2.94Å; R96-E104 IonicContact NE-OE1 3.4Å; R96-E104 PolarHBondContact NE-OE1 3.39Å; R96-E104 IonicContact NE-OE2 3.92Å; R96-E104 IonicContact NH2-OE1 2.82Å; R96-E104 PolarHBondContact NH2-OE1 3.38Å | ||
| 97 | P | 94.6 | Very high | 94.4 | Very high | 5 Ų | 5 | 69.7 Ų | 69.7 | 3% | 0.032 | 35% | 0.354 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | -18.6 | -179.1 | 25.3 | -33 | 0 | 0 | 0 | 114.5 | H55 Y56 A66 R68 S95 | H55-P97 CarbonylContact C-O 3.59Å; H55-P97 WeakPolarHBondContact CA-O 3.46Å; Y56-P97 HydrophobicContact CD2-CB 3.99Å; Y56-P97 HydrophobicContact CE2-CB 4.43Å; Y56-P97 PolarHBondContact N-O 2.96Å; A66-P97 HydrophobicContact CB-CB 3.94Å; A66-P97 HydrophobicContact CB-CG 4.02Å; R68-P97 HydrophobicContact CG-CG 3.97Å; S95-P97 VanDerWaalsContact C-CD 3.44Å; S95-P97 WeakPolarHBondContact O-CD 3.29Å |
| 98 | F | 94.8 | Very high | 94.7 | Very high | 33 Ų | 33 | 63.5 Ų | 63.5 | 15% | 0.145 | 33% | 0.326 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -114 | 35.9 | -179.7 | -52.9 | -77.7 | 0 | 0 | 0 | 111.9 | Y56 H58 A66 R96 | Y56-F98 WeakPolarHBondContact O-CD1 3.46Å; H58-F98 AromaticContact CE1-CG 3.94Å; A66-F98 HydrophobicContact CB-CE1 4.42Å; A66-F98 HydrophobicContact CB-CE2 3.85Å; A66-F98 HydrophobicContact CB-CZ 3.55Å; R96-F98 PolarHBondContact O-N 3.25Å |
| 99 | A | 93.3 | Very high | 94.9 | Very high | 14 Ų | 14 | 59.6 Ų | 59.6 | 12% | 0.116 | 30% | 0.302 | C | S | . | . | trans | -57.1 | 136.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | H55 R96 H101 A102 | H55-A99 PolarHBondContact CE1-O 2.96Å; R96-A99 HydrophobicContact CB-CB 4.47Å; R96-A99 PolarHBondContact O-N 2.82Å; A99-H101 VanDerWaalsContact C-N 3.29Å; A99-H101 PolarHBondContact O-N 3.25Å; A99-A102 WeakPolarHBondContact CB-O 3.35Å | ||
| 100 | P | 90 | Very high | 95.1 | Very high | 117 Ų | 117 | 57.9 Ų | 57.9 | 76% | 0.76 | 29% | 0.294 | S | S | * | . | S | Bend | trans | -72.9 | -13 | -166.3 | 27.3 | -36.4 | 0 | 0 | 0 | 115.6 | ||
| 101 | H | 87.9 | Confident | 95 | Very high | 181 Ų | 181 | 57.6 Ų | 57.6 | 84% | 0.838 | 29% | 0.292 | S | S | * | . | S | Bend | trans | -122.8 | -50.6 | -171.5 | -61 | -45 | 0 | 0 | 0 | 113.5 | A99 | A99-H101 VanDerWaalsContact C-N 3.29Å; A99-H101 PolarHBondContact O-N 3.25Å |
| 102 | A | 92.5 | Very high | 95 | Very high | 57 Ų | 57 | 61.8 Ų | 61.8 | 47% | 0.471 | 31% | 0.307 | S | S | . | . | S | Bend | trans | -152 | 158.7 | -175.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | A99 | A99-A102 WeakPolarHBondContact CB-O 3.35Š|
| 103 | P | 95.1 | Very high | 94.8 | Very high | 56 Ų | 56 | 64.3 Ų | 64.3 | 36% | 0.364 | 32% | 0.321 | S | S | . | . | trans | -52 | 140.6 | 168.1 | -24.4 | 33.5 | 0 | 0 | 0 | 111.4 | I52 H55 K105 | I52-P103 HydrophobicContact CG2-CB 3.62Å; I52-P103 HydrophobicContact CG2-CG 4.22Å; H55-P103 HydrophobicContact CB-CB 3.84Å; H55-P103 HydrophobicContact CB-CG 3.7Å; H55-P103 WeakPolarHBondContact ND1-CA 3.5Å; P103-K105 PolarHBondContact O-N 3.33Å | ||
| 104 | E | 96.3 | Very high | 94.7 | Very high | 20 Ų | 20 | 61.8 Ų | 61.8 | 9% | 0.093 | 31% | 0.311 | C | S | . | . | trans | -60.8 | 133.7 | 168.6 | -179.5 | 153.7 | -125.4 | 0 | 0 | 109.1 | C53 W92 S95 R96 | C53-E104 HydrophobicContact CB-CB 4Å; C53-E104 WeakPolarHBondContact CB-O 3.35Å; C53-E104 PolarHBondContact N-O 3.25Å; C53-E104 PolarHBondContact SG-O 3.29Å; W92-E104 HydrophobicContact CZ2-CG 4.13Å; S95-E104 PolarHBondContact N-OE2 3.46Å; R96-E104 IonicContact CZ-OE1 3.56Å; R96-E104 PolarHBondContact N-OE2 2.94Å; R96-E104 IonicContact NE-OE1 3.4Å; R96-E104 PolarHBondContact NE-OE1 3.39Å; R96-E104 IonicContact NE-OE2 3.92Å; R96-E104 IonicContact NH2-OE1 2.82Å; R96-E104 PolarHBondContact NH2-OE1 3.38Å | ||
| 105 | K | 96.1 | Very high | 94.4 | Very high | 104 Ų | 104 | 68 Ų | 68 | 45% | 0.452 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 123.2 | -173.7 | -169 | 179.1 | 78.1 | 158.2 | 0 | 110.2 | D50 I51 I52 P103 | D50-K105 HydrophobicContact CB-CD 3.94Å; D50-K105 HydrophobicContact CB-CG 4.26Å; D50-K105 IonicContact OD1-NZ 2.7Å; D50-K105 IonicContact OD2-NZ 3.82Å; D50-K105 PolarHBondContact OD2-NZ 3.47Å; I51-K105 WeakPolarHBondContact O-CA 3.46Å; I52-K105 HydrophobicContact CG1-CD 4.44Å; I52-K105 HydrophobicContact CG1-CG 4.29Å; P103-K105 PolarHBondContact O-N 3.33Å |
| 106 | F | 96.9 | Very high | 94.1 | Very high | 10 Ų | 10 | 71.7 Ų | 71.7 | 4% | 0.044 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 127.6 | 169.3 | 169.7 | -110.7 | 0 | 0 | 0 | 109.1 | D50 I51 R91 W92 E108 | D50-F106 CarbonylContact C-O 3.49Å; D50-F106 WeakPolarHBondContact CA-O 3.34Å; I51-F106 HydrophobicContact CB-CB 4.47Å; I51-F106 HydrophobicContact CB-CD1 4.28Å; I51-F106 HydrophobicContact CD1-CD1 4.09Å; I51-F106 HydrophobicContact CD1-CE1 4.5Å; I51-F106 HydrophobicContact CG1-CD1 4.29Å; I51-F106 PolarHBondContact N-O 2.84Å; I51-F106 PolarHBondContact O-N 3.21Å; R91-F106 HydrophobicContact CG-CE1 3.91Å; R91-F106 HydrophobicContact CG-CE2 4.27Å; R91-F106 HydrophobicContact CG-CZ 3.61Å; W92-F106 HydrophobicContact CB-CB 4.16Å; W92-F106 HydrophobicContact CB-CD1 4.47Å; W92-F106 HydrophobicContact CB-CD2 4.08Å; W92-F106 HydrophobicContact CB-CG 3.96Å; W92-F106 HydrophobicContact CD2-CB 3.77Å; W92-F106 AromaticContact CD2-CD2 3.77Å; W92-F106 HydrophobicContact CD2-CD2 3.77Å; W92-F106 HydrophobicContact CD2-CG 4.05Å; W92-F106 HydrophobicContact CE3-CB 4.41Å; W92-F106 AromaticContact CE3-CD2 3.58Å; W92-F106 HydrophobicContact CE3-CD2 3.58Å; W92-F106 HydrophobicContact CE3-CE2 4.34Å; W92-F106 HydrophobicContact CE3-CG 4.32Å; W92-F106 HydrophobicContact CG-CB 3.61Å; W92-F106 HydrophobicContact CG-CD2 4.01Å; W92-F106 AromaticContact CG-CG 3.88Å; W92-F106 HydrophobicContact CG-CG 3.88Å; W92-F106 HydrophobicContact CZ3-CD2 4.28Å; F106-E108 HydrophobicContact CE1-CB 3.88Å; F106-E108 HydrophobicContact CZ-CB 3.94Å; F106-E108 WeakPolarHBondContact CZ-OE2 3.24Å |
| 107 | S | 97 | Very high | 93.7 | Very high | 56 Ų | 56 | 71.1 Ų | 71.1 | 39% | 0.392 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 117.3 | 178.4 | -66.1 | 0 | 0 | 0 | 0 | 109.8 | L49 D50 | L49-S107 CarbonylContact O-C 3.51Å; L49-S107 WeakPolarHBondContact O-CA 3.42Å; D50-S107 VanDerWaalsContact OD1-CB 3.29Å; D50-S107 WeakPolarHBondContact OD1-CB 3.36Å; D50-S107 PolarHBondContact OD1-OG 3.38Å |
| 108 | E | 96.8 | Very high | 93.2 | Very high | 10 Ų | 10 | 77.9 Ų | 77.9 | 5% | 0.047 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 134.9 | 171.5 | -172.8 | 70.5 | -94.4 | 0 | 0 | 109.7 | Y48 L49 R91 F106 F110 F122 | Y48-E108 CarbonylContact C-O 3.55Å; Y48-E108 VanDerWaalsContact CA-O 3.24Å; Y48-E108 WeakPolarHBondContact CA-O 3.3Å; L49-E108 HydrophobicContact CB-CB 4.48Å; L49-E108 PolarHBondContact N-O 3.29Å; L49-E108 PolarHBondContact O-N 2.88Å; R91-E108 IonicContact CZ-OE1 2.85Å; R91-E108 IonicContact CZ-OE2 2.8Å; R91-E108 IonicContact NE-OE2 3.91Å; R91-E108 PolarHBondContact NE-OE2 3.24Å; R91-E108 IonicContact NH2-OE1 2.78Å; R91-E108 PolarHBondContact NH2-OE1 3.2Å; R91-E108 IonicContact NH2-OE2 2.7Å; R91-E108 PolarHBondContact NH2-OE2 2.94Å; F106-E108 HydrophobicContact CE1-CB 3.88Å; F106-E108 HydrophobicContact CZ-CB 3.94Å; F106-E108 WeakPolarHBondContact CZ-OE2 3.24Å; E108-F110 HydrophobicContact CB-CE2 4.39Å; E108-F110 HydrophobicContact CG-CE2 4.2Å; E108-F110 HydrophobicContact CG-CZ 4.43Å; E108-F122 HydrophobicContact CG-CE2 3.95Å; E108-F122 HydrophobicContact CG-CZ 3.56Å |
| 109 | K | 96.1 | Very high | 92.8 | Very high | 65 Ų | 65 | 77.4 Ų | 77.4 | 28% | 0.283 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 125.3 | 171.9 | -172.5 | -174.7 | -179.7 | -176.1 | 0 | 109.4 | Y48 Q111 F122 | Y48-K109 HydrophobicContact CD1-CB 3.92Å; Y48-K109 HydrophobicContact CD1-CG 4.16Å; Y48-K109 HydrophobicContact CE1-CB 3.71Å; Y48-K109 HydrophobicContact CE1-CD 3.95Å; Y48-K109 HydrophobicContact CE1-CG 3.75Å; Y48-K109 HydrophobicContact CE2-CD 4.46Å; Y48-K109 HydrophobicContact CE2-CG 4.28Å; Y48-K109 WeakPolarHBondContact OH-CD 3.4Å; K109-Q111 HydrophobicContact CD-CB 4.24Å; K109-Q111 HydrophobicContact CG-CB 4.3Å; K109-Q111 PolarHBondContact O-N 3.44Å; K109-F122 WeakPolarHBondContact O-CE2 3.45Å |
| 110 | F | 96.4 | Very high | 92.8 | Very high | 0 Ų | 0 | 80.1 Ų | 80.1 | 0% | 0 | 42% | 0.424 | C | S | . | . | trans | -78.6 | 64.3 | 178.6 | -73.5 | -94.1 | 0 | 0 | 0 | 111.5 | V43 I45 N46 D47 L49 E108 F122 Y128 V147 V149 | V43-F110 HydrophobicContact CB-CD2 4.35Å; V43-F110 HydrophobicContact CB-CG 4.46Å; V43-F110 HydrophobicContact CG1-CE2 4.41Å; V43-F110 HydrophobicContact CG2-CB 4.39Å; V43-F110 HydrophobicContact CG2-CD1 3.58Å; V43-F110 HydrophobicContact CG2-CD2 3.89Å; V43-F110 HydrophobicContact CG2-CE1 3.78Å; V43-F110 HydrophobicContact CG2-CE2 4.11Å; V43-F110 HydrophobicContact CG2-CG 3.64Å; V43-F110 HydrophobicContact CG2-CZ 4.07Å; I45-F110 CarbonylContact C-O 3.59Å; I45-F110 VanDerWaalsContact CA-O 3.31Å; I45-F110 WeakPolarHBondContact CA-O 2.88Å; N46-F110 PolarHBondContact N-O 3.39Å; D47-F110 PolarHBondContact O-N 2.85Å; L49-F110 HydrophobicContact CB-CD2 4.5Å; L49-F110 HydrophobicContact CB-CE2 3.55Å; L49-F110 HydrophobicContact CB-CZ 4.29Å; L49-F110 HydrophobicContact CD2-CE2 4.4Å; L49-F110 HydrophobicContact CD2-CZ 4.35Å; E108-F110 HydrophobicContact CB-CE2 4.39Å; E108-F110 HydrophobicContact CG-CE2 4.2Å; E108-F110 HydrophobicContact CG-CZ 4.43Å; F110-F122 HydrophobicContact CB-CB 4.4Å; F110-F122 HydrophobicContact CB-CG 4.37Å; F110-F122 HydrophobicContact CD1-CB 4.09Å; F110-F122 AromaticContact CD1-CD1 3.37Å; F110-F122 HydrophobicContact CD1-CD1 3.37Å; F110-F122 HydrophobicContact CD1-CD2 4.29Å; F110-F122 AromaticContact CD1-CE1 3.77Å; F110-F122 HydrophobicContact CD1-CE1 3.77Å; F110-F122 AromaticContact CD1-CG 3.66Å; F110-F122 HydrophobicContact CD1-CG 3.66Å; F110-F122 HydrophobicContact CD1-CZ 4.37Å; F110-F122 AromaticContact CE1-CD1 3.53Å; F110-F122 HydrophobicContact CE1-CD1 3.53Å; F110-F122 AromaticContact CE1-CE1 3.51Å; F110-F122 HydrophobicContact CE1-CE1 3.51Å; F110-F122 HydrophobicContact CE1-CG 4.26Å; F110-F122 HydrophobicContact CE1-CZ 4.24Å; F110-F122 HydrophobicContact CG-CD1 4.37Å; F110-F122 HydrophobicContact CG-CG 4.32Å; F110-F122 HydrophobicContact CZ-CE1 4.2Å; F110-Y128 HydrophobicContact CE1-CD2 4.4Å; F110-V147 HydrophobicContact CE1-CB 4.38Å; F110-V147 HydrophobicContact CE1-CG1 3.67Å; F110-V147 HydrophobicContact CE2-CG1 4.32Å; F110-V147 HydrophobicContact CZ-CB 4.22Å; F110-V147 HydrophobicContact CZ-CG1 3.47Å; F110-V147 VanDerWaalsContact CZ-CG1 3.47Å; F110-V149 HydrophobicContact CD1-CG2 3.54Å; F110-V149 HydrophobicContact CE1-CG2 3.93Å | ||
| 111 | Q | 95.1 | Very high | 93.1 | Very high | 42 Ų | 42 | 78.6 Ų | 78.6 | 20% | 0.196 | 41% | 0.406 | C | S | . | . | trans | -93 | 144.1 | -177.5 | 65 | -172.5 | 1.8 | 0 | 0 | 112.1 | K109 F113 T114 F122 | K109-Q111 HydrophobicContact CD-CB 4.24Å; K109-Q111 HydrophobicContact CG-CB 4.3Å; K109-Q111 PolarHBondContact O-N 3.44Å; Q111-F113 VanDerWaalsContact C-N 3.35Å; Q111-F113 WeakPolarHBondContact CG-O 3.05Å; Q111-T114 VanDerWaalsContact NE2-CB 3.27Å; Q111-T114 PolarHBondContact NE2-OG1 2.78Å; Q111-F122 PolarHBondContact O-N 2.8Å | ||
| 112 | R | 95.1 | Very high | 93.5 | Very high | 162 Ų | 162 | 70 Ų | 70 | 61% | 0.611 | 37% | 0.367 | S | S | * | . | S | Bend | trans | -70.1 | -33.4 | 178.7 | -172.2 | 175.6 | -178.8 | 168.1 | 2.1 | 113.1 | I45 F122 | I45-R112 HydrophobicContact CG2-CB 4.45Å; R112-F122 WeakPolarHBondContact CA-O 3.25Å |
| 113 | F | 94.1 | Very high | 93.7 | Very high | 139 Ų | 139 | 74.9 Ų | 74.9 | 61% | 0.61 | 37% | 0.373 | S | S | * | . | trans | -135.2 | 135.6 | -178.5 | -56.3 | -62.9 | 0 | 0 | 0 | 108.6 | Q111 | Q111-F113 VanDerWaalsContact C-N 3.35Å; Q111-F113 WeakPolarHBondContact CG-O 3.05Å | ||
| 114 | T | 93.9 | Very high | 93.8 | Very high | 27 Ų | 27 | 74.9 Ų | 74.9 | 17% | 0.166 | 38% | 0.378 | C | S | . | . | trans | -116.1 | 132.7 | 178.2 | 175.7 | 0 | 0 | 0 | 0 | 109.7 | Q111 F116 E121 | Q111-T114 VanDerWaalsContact NE2-CB 3.27Å; Q111-T114 PolarHBondContact NE2-OG1 2.78Å; T114-F116 WeakPolarHBondContact CG2-O 3.03Å; T114-F116 PolarHBondContact O-N 3.41Å; T114-F116 PolarHBondContact OG1-N 2.86Å; T114-F116 VanDerWaalsContact OG1-N 3.17Å; T114-F116 PolarHBondContact OG1-O 2.04Å; T114-E121 HydrophobicContact CG2-CG 3.63Å | ||
| 115 | P | 91.2 | Very high | 93.8 | Very high | 133 Ų | 133 | 77.2 Ų | 77.2 | 86% | 0.864 | 41% | 0.407 | S | S | * | . | S | Bend | trans | -73.7 | -11.9 | 172.5 | 32 | -35.1 | 0 | 0 | 0 | 112.3 | ||
| 116 | F | 89.3 | Confident | 93.8 | Very high | 126 Ų | 126 | 76 Ų | 76 | 55% | 0.553 | 40% | 0.403 | S | S | * | . | S | Bend | trans | -90.3 | 126.1 | 179.4 | -176.4 | -127.7 | 0 | 0 | 0 | 110.7 | T114 L118 G119 | T114-F116 WeakPolarHBondContact CG2-O 3.03Å; T114-F116 PolarHBondContact O-N 3.41Å; T114-F116 PolarHBondContact OG1-N 2.86Å; T114-F116 VanDerWaalsContact OG1-N 3.17Å; T114-F116 PolarHBondContact OG1-O 2.04Å; F116-L118 VanDerWaalsContact C-N 3.28Å; F116-L118 HydrophobicContact CD1-CB 4.16Å; F116-L118 HydrophobicContact CE1-CB 3.52Å; F116-L118 HydrophobicContact CZ-CB 3.78Å; F116-L118 HydrophobicContact CZ-CD1 4.2Å; F116-L118 HydrophobicContact CZ-CG 4.34Å; F116-L118 PolarHBondContact O-N 2.9Å; F116-G119 WeakPolarHBondContact O-CA 3.47Å; F116-G119 PolarHBondContact O-N 2.92Å |
| 117 | T | 85.9 | Confident | 93.9 | Very high | 136 Ų | 136 | 77.8 Ų | 77.8 | 83% | 0.834 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | -31 | -174.9 | 49.8 | 0 | 0 | 0 | 0 | 114 | ||
| 118 | L | 83.5 | Confident | 94 | Very high | 147 Ų | 147 | 75.8 Ų | 75.8 | 77% | 0.77 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.8 | 10.2 | 173.9 | -57.5 | 171.2 | 0 | 0 | 0 | 112.1 | F116 | F116-L118 VanDerWaalsContact C-N 3.28Å; F116-L118 HydrophobicContact CD1-CB 4.16Å; F116-L118 HydrophobicContact CE1-CB 3.52Å; F116-L118 HydrophobicContact CZ-CB 3.78Å; F116-L118 HydrophobicContact CZ-CD1 4.2Å; F116-L118 HydrophobicContact CZ-CG 4.34Å; F116-L118 PolarHBondContact O-N 2.9Å |
| 119 | G | 86.8 | Confident | 94 | Very high | 24 Ų | 24 | 76.4 Ų | 76.4 | 25% | 0.247 | 40% | 0.402 | C | S | . | . | P | Polyproline II helix | trans | -74.8 | 153.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | F116 | F116-G119 WeakPolarHBondContact O-CA 3.47Å; F116-G119 PolarHBondContact O-N 2.92Å |
| 120 | K | 92.8 | Very high | 94.1 | Very high | 71 Ų | 71 | 73.3 Ų | 73.3 | 31% | 0.309 | 39% | 0.389 | S | S | . | . | P | Polyproline II helix | trans | -86.6 | 133.4 | 173 | -170.3 | 71.5 | 178.3 | 82.1 | 0 | 110.8 | M73 F122 | M73-K120 HydrophobicContact CE-CD 3.96Å; M73-K120 HydrophobicContact CE-CG 3.8Å; M73-K120 HydrophobicContact SD-CB 4.36Å; M73-K120 HydrophobicContact SD-CD 3.76Å; M73-K120 HydrophobicContact SD-CG 3.71Å; K120-F122 HydrophobicContact CB-CE2 3.8Å; K120-F122 HydrophobicContact CB-CZ 3.83Å; K120-F122 HydrophobicContact CG-CD1 4.44Å; K120-F122 HydrophobicContact CG-CD2 4.35Å; K120-F122 HydrophobicContact CG-CE1 3.87Å; K120-F122 HydrophobicContact CG-CE2 3.77Å; K120-F122 HydrophobicContact CG-CZ 3.5Å |
| 121 | E | 96.1 | Very high | 94.2 | Very high | 84 Ų | 84 | 73.3 Ų | 73.3 | 39% | 0.393 | 39% | 0.389 | S | S | . | . | P | Polyproline II helix | trans | -98.4 | 141.7 | 167.2 | -63.2 | -172.2 | 159.4 | 0 | 0 | 110.6 | T114 | T114-E121 HydrophobicContact CG2-CG 3.63Š|
| 122 | F | 97 | Very high | 94.3 | Very high | 0 Ų | 0 | 71.3 Ų | 71.3 | 0% | 0 | 38% | 0.38 | C | S | . | . | trans | -121.6 | 142.9 | -176.6 | -60.4 | -89.6 | 0 | 0 | 0 | 111.6 | I45 M73 E108 K109 F110 Q111 R112 K120 Y128 | I45-F122 HydrophobicContact CD1-CB 4.28Å; I45-F122 WeakPolarHBondContact CD1-O 3.34Å; M73-F122 HydrophobicContact CE-CE1 3.66Å; M73-F122 HydrophobicContact CE-CZ 4.18Å; E108-F122 HydrophobicContact CG-CE2 3.95Å; E108-F122 HydrophobicContact CG-CZ 3.56Å; K109-F122 WeakPolarHBondContact O-CE2 3.45Å; F110-F122 HydrophobicContact CB-CB 4.4Å; F110-F122 HydrophobicContact CB-CG 4.37Å; F110-F122 HydrophobicContact CD1-CB 4.09Å; F110-F122 AromaticContact CD1-CD1 3.37Å; F110-F122 HydrophobicContact CD1-CD1 3.37Å; F110-F122 HydrophobicContact CD1-CD2 4.29Å; F110-F122 AromaticContact CD1-CE1 3.77Å; F110-F122 HydrophobicContact CD1-CE1 3.77Å; F110-F122 AromaticContact CD1-CG 3.66Å; F110-F122 HydrophobicContact CD1-CG 3.66Å; F110-F122 HydrophobicContact CD1-CZ 4.37Å; F110-F122 AromaticContact CE1-CD1 3.53Å; F110-F122 HydrophobicContact CE1-CD1 3.53Å; F110-F122 AromaticContact CE1-CE1 3.51Å; F110-F122 HydrophobicContact CE1-CE1 3.51Å; F110-F122 HydrophobicContact CE1-CG 4.26Å; F110-F122 HydrophobicContact CE1-CZ 4.24Å; F110-F122 HydrophobicContact CG-CD1 4.37Å; F110-F122 HydrophobicContact CG-CG 4.32Å; F110-F122 HydrophobicContact CZ-CE1 4.2Å; Q111-F122 PolarHBondContact O-N 2.8Å; R112-F122 WeakPolarHBondContact CA-O 3.25Å; K120-F122 HydrophobicContact CB-CE2 3.8Å; K120-F122 HydrophobicContact CB-CZ 3.83Å; K120-F122 HydrophobicContact CG-CD1 4.44Å; K120-F122 HydrophobicContact CG-CD2 4.35Å; K120-F122 HydrophobicContact CG-CE1 3.87Å; K120-F122 HydrophobicContact CG-CE2 3.77Å; K120-F122 HydrophobicContact CG-CZ 3.5Å; F122-Y128 WeakPolarHBondContact CA-OH 3.41Å; F122-Y128 HydrophobicContact CB-CE2 4.23Å; F122-Y128 HydrophobicContact CD1-CD1 4.1Å; F122-Y128 AromaticContact CD1-CD2 3.66Å; F122-Y128 HydrophobicContact CD1-CD2 3.66Å; F122-Y128 HydrophobicContact CD1-CE1 4.05Å; F122-Y128 AromaticContact CD1-CE2 3.61Å; F122-Y128 HydrophobicContact CD1-CE2 3.61Å; F122-Y128 AromaticContact CD1-CG 3.9Å; F122-Y128 HydrophobicContact CD1-CG 3.9Å; F122-Y128 AromaticContact CD1-CZ 3.8Å; F122-Y128 HydrophobicContact CE1-CD1 4.22Å; F122-Y128 HydrophobicContact CE1-CD2 4.2Å; F122-Y128 HydrophobicContact CE1-CG 4.03Å; F122-Y128 HydrophobicContact CG-CE2 4.4Å | ||
| 123 | R | 96.7 | Very high | 94.3 | Very high | 160 Ų | 160 | 66.7 Ų | 66.7 | 60% | 0.604 | 36% | 0.364 | S | S | * | . | trans | -122 | 140.3 | -178.1 | -64.3 | 178.1 | 171.9 | -156.6 | 2.8 | 110.3 | E126 Y128 V149 | R123-E126 HydrophobicContact CB-CB 4.48Å; R123-E126 HydrophobicContact CB-CG 4.06Å; R123-E126 WeakPolarHBondContact CD-OE1 3.29Å; R123-E126 PolarHBondContact O-N 2.95Å; R123-Y128 PolarHBondContact N-OH 2.56Å; R123-V149 WeakPolarHBondContact O-CB 3.47Å | ||
| 124 | A | 96.8 | Very high | 94.4 | Very high | 57 Ų | 57 | 61.1 Ų | 61.1 | 47% | 0.471 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | 136.9 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | I45 E126 | I45-A124 HydrophobicContact CG1-CB 4.26Å; A124-E126 VanDerWaalsContact C-N 3.34Å |
| 125 | G | 96.2 | Very high | 94.3 | Very high | 68 Ų | 68 | 61.5 Ų | 61.5 | 70% | 0.701 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.6 | 0.5 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | V149 | G125-V149 PolarHBondContact N-O 2.89Š|
| 126 | E | 97.1 | Very high | 94.1 | Very high | 80 Ų | 80 | 62 Ų | 62 | 37% | 0.374 | 33% | 0.333 | S | S | . | . | trans | -102 | 152.9 | 175.6 | -68.7 | -177.2 | -174.3 | 0 | 0 | 111.7 | R123 A124 Y128 V149 | R123-E126 HydrophobicContact CB-CB 4.48Å; R123-E126 HydrophobicContact CB-CG 4.06Å; R123-E126 WeakPolarHBondContact CD-OE1 3.29Å; R123-E126 PolarHBondContact O-N 2.95Å; A124-E126 VanDerWaalsContact C-N 3.34Å; E126-Y128 HydrophobicContact CB-CE2 3.86Å; E126-Y128 PolarHBondContact OE2-OH 3.28Å; E126-V149 PolarHBondContact O-N 3.34Å | ||
| 127 | S | 98.1 | Very high | 93.9 | Very high | 46 Ų | 46 | 64.4 Ų | 64.4 | 32% | 0.322 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 139.1 | 174 | -57.1 | 0 | 0 | 0 | 0 | 109.6 | V147 D148 | S127-V147 CarbonylContact C-O 3.55Å; S127-V147 WeakPolarHBondContact CA-O 3.33Å; S127-D148 WeakPolarHBondContact CB-OD1 3Å; S127-D148 PolarHBondContact OG-OD1 2.95Å |
| 128 | Y | 98.3 | Very high | 93.7 | Very high | 15 Ų | 15 | 60 Ų | 60 | 6% | 0.059 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 146.1 | 178.6 | -61.1 | -81.5 | 0 | 0 | 0 | 110.2 | M73 F110 F122 R123 E126 V147 V149 | M73-Y128 HydrophobicContact CE-CD1 3.44Å; M73-Y128 VanDerWaalsContact CE-CD1 3.44Å; M73-Y128 HydrophobicContact CE-CE1 4.4Å; M73-Y128 HydrophobicContact CE-CG 3.84Å; F110-Y128 HydrophobicContact CE1-CD2 4.4Å; F122-Y128 WeakPolarHBondContact CA-OH 3.41Å; F122-Y128 HydrophobicContact CB-CE2 4.23Å; F122-Y128 HydrophobicContact CD1-CD1 4.1Å; F122-Y128 AromaticContact CD1-CD2 3.66Å; F122-Y128 HydrophobicContact CD1-CD2 3.66Å; F122-Y128 HydrophobicContact CD1-CE1 4.05Å; F122-Y128 AromaticContact CD1-CE2 3.61Å; F122-Y128 HydrophobicContact CD1-CE2 3.61Å; F122-Y128 AromaticContact CD1-CG 3.9Å; F122-Y128 HydrophobicContact CD1-CG 3.9Å; F122-Y128 AromaticContact CD1-CZ 3.8Å; F122-Y128 HydrophobicContact CE1-CD1 4.22Å; F122-Y128 HydrophobicContact CE1-CD2 4.2Å; F122-Y128 HydrophobicContact CE1-CG 4.03Å; F122-Y128 HydrophobicContact CG-CE2 4.4Å; R123-Y128 PolarHBondContact N-OH 2.56Å; E126-Y128 HydrophobicContact CB-CE2 3.86Å; E126-Y128 PolarHBondContact OE2-OH 3.28Å; Y128-V147 PolarHBondContact N-O 3.34Å; Y128-V147 PolarHBondContact O-N 3.27Å; Y128-V149 HydrophobicContact CD2-CG2 3.62Å; Y128-V149 HydrophobicContact CE2-CB 4.42Å; Y128-V149 HydrophobicContact CE2-CG2 3.51Å |
| 129 | Y | 98.3 | Very high | 93.8 | Very high | 22 Ų | 22 | 54.6 Ų | 54.6 | 9% | 0.086 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 133.5 | -167.8 | -52.9 | -85.9 | 0 | 0 | 0 | 111.2 | M73 V74 K76 Y79 R146 | M73-Y129 WeakPolarHBondContact CA-O 3.48Å; V74-Y129 PolarHBondContact N-O 3.12Å; K76-Y129 HydrophobicContact CB-CD2 4.23Å; K76-Y129 HydrophobicContact CB-CE2 3.7Å; K76-Y129 HydrophobicContact CG-CE1 4.4Å; K76-Y129 HydrophobicContact CG-CE2 4.13Å; Y79-Y129 AromaticContact CD1-CD1 3.77Å; Y79-Y129 HydrophobicContact CD1-CD1 3.77Å; Y79-Y129 HydrophobicContact CD1-CE1 4.25Å; Y79-Y129 AromaticContact CD2-CD1 3.76Å; Y79-Y129 HydrophobicContact CD2-CD1 3.76Å; Y79-Y129 HydrophobicContact CD2-CG 4.12Å; Y79-Y129 HydrophobicContact CE1-CD1 4.11Å; Y79-Y129 HydrophobicContact CE1-CE1 4.47Å; Y79-Y129 HydrophobicContact CE2-CD1 4.05Å; Y79-Y129 AromaticContact CG-CD1 3.58Å; Y79-Y129 HydrophobicContact CG-CD1 3.58Å; Y79-Y129 HydrophobicContact CG-CE1 4.47Å; Y79-Y129 AromaticContact CG-CG 3.96Å; Y79-Y129 HydrophobicContact CG-CG 3.96Å; Y129-R146 HydrophobicContact CD1-CB 4.38Å; Y129-R146 HydrophobicContact CD1-CG 4.15Å; Y129-R146 HydrophobicContact CE1-CB 4.49Å; Y129-R146 HydrophobicContact CE1-CG 3.86Å |
| 130 | Y | 98.3 | Very high | 93.8 | Very high | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 137.6 | 175.6 | -64.5 | -95 | 0 | 0 | 0 | 109.3 | L49 I51 Y72 M73 R91 R144 L145 V147 | L49-Y130 HydrophobicContact CD2-CE2 4.36Å; I51-Y130 HydrophobicContact CD1-CD1 4.34Å; Y72-Y130 VanDerWaalsContact O-CA 3.31Å; Y72-Y130 WeakPolarHBondContact O-CA 3.4Å; M73-Y130 HydrophobicContact CB-CD1 4.31Å; M73-Y130 HydrophobicContact CB-CE1 4.08Å; M73-Y130 HydrophobicContact CG-CE1 4.13Å; R91-Y130 HydrophobicContact CG-CE1 4.33Å; Y130-R144 CarbonylContact O-C 3.54Å; Y130-R144 VanDerWaalsContact O-CA 3.28Å; Y130-R144 WeakPolarHBondContact O-CA 3.29Å; Y130-L145 PolarHBondContact N-O 3.1Å; Y130-L145 PolarHBondContact O-N 3.27Å; Y130-V147 HydrophobicContact CD2-CG2 3.9Å; Y130-V147 HydrophobicContact CE2-CG2 3.85Å |
| 131 | I | 97.9 | Very high | 93.5 | Very high | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 159.5 | 173.3 | 64.3 | 172.8 | 0 | 0 | 0 | 110.2 | Y72 V74 Y79 P84 L143 R144 | Y72-I131 PolarHBondContact N-O 2.91Å; Y72-I131 PolarHBondContact O-N 2.87Å; V74-I131 HydrophobicContact CG1-CD1 3.83Å; V74-I131 HydrophobicContact CG1-CG1 3.85Å; V74-I131 HydrophobicContact CG2-CD1 4.12Å; V74-I131 HydrophobicContact CG2-CG1 4Å; V74-I131 HydrophobicContact CG2-CG2 3.98Å; Y79-I131 HydrophobicContact CD2-CG2 3.85Å; P84-I131 HydrophobicContact CB-CD1 4.42Å; I131-L143 CarbonylContact C-O 3.41Å; I131-L143 WeakPolarHBondContact CA-O 3.34Å; I131-R144 HydrophobicContact CG2-CB 3.88Å |
| 132 | S | 97 | Very high | 93.2 | Very high | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 150.7 | 172.8 | 69.4 | 0 | 0 | 0 | 0 | 114.5 | W27 V70 L143 | W27-S132 PolarHBondContact NE1-OG 3.27Å; V70-S132 VanDerWaalsContact O-CA 3.24Å; V70-S132 WeakPolarHBondContact O-CA 3.4Å; S132-L143 PolarHBondContact N-O 3.44Å; S132-L143 WeakPolarHBondContact OG-CB 3.45Å; S132-L143 PolarHBondContact OG-N 3.39Å; S132-L143 PolarHBondContact OG-O 3.07Å |
| 133 | K | 95.9 | Very high | 93.2 | Very high | 65 Ų | 65 | 56.3 Ų | 56.3 | 28% | 0.283 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 134.8 | 166.1 | -66.9 | -64 | -179.6 | -172.7 | 0 | 110.5 | Y69 V70 Y72 C82 | Y69-K133 WeakPolarHBondContact CA-O 3.41Å; V70-K133 PolarHBondContact N-O 2.8Å; V70-K133 PolarHBondContact O-N 3.28Å; Y72-K133 HydrophobicContact CE2-CB 4.18Å; Y72-K133 HydrophobicContact CE2-CG 4.06Å; C82-K133 VanDerWaalsContact O-CE 3.25Å; C82-K133 WeakPolarHBondContact O-CE 3.5Å; C82-K133 PolarHBondContact O-NZ 2.77Å |
| 134 | P | 95.1 | Very high | 93.2 | Very high | 23 Ų | 23 | 51 Ų | 51 | 15% | 0.149 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67 | 138.3 | 179.1 | 27.5 | -33.5 | 0 | 0 | 0 | 110.6 | R68 Y69 | R68-P134 WeakPolarHBondContact O-CA 3.1Å; Y69-P134 HydrophobicContact CD1-CB 4.4Å; Y69-P134 HydrophobicContact CE1-CB 4.2Å |
| 135 | M | 92.1 | Very high | 93.3 | Very high | 35 Ų | 35 | 48.3 Ų | 48.3 | 17% | 0.172 | 27% | 0.267 | C | S | . | . | B | Isolated β-bridge | trans | -84.1 | 129.2 | 173.6 | -60.6 | 176.2 | 76.8 | 0 | 0 | 109.3 | R68 V70 H137 H138 | R68-M135 HydrophobicContact CB-CB 3.8Å; R68-M135 HydrophobicContact CB-CG 4.2Å; R68-M135 HydrophobicContact CB-SD 4.05Å; R68-M135 PolarHBondContact O-N 3.41Å; V70-M135 HydrophobicContact CG2-CG 3.67Å; V70-M135 HydrophobicContact CG2-SD 4.14Å; M135-H137 PolarHBondContact O-N 3.17Å; M135-H137 VanDerWaalsContact O-N 3.12Å; M135-H138 WeakPolarHBondContact O-CB 3.29Å; M135-H138 PolarHBondContact O-N 2.89Å |
| 136 | H | 87.8 | Confident | 93.4 | Very high | 144 Ų | 144 | 48.7 Ų | 48.7 | 67% | 0.667 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.4 | 32.7 | 178.1 | -48.8 | -68.5 | 0 | 0 | 0 | 114.3 | H138 | H136-H138 PolarHBondContact O-N 3.29Š|
| 137 | H | 83.4 | Confident | 93.5 | Very high | 175 Ų | 175 | 44.9 Ų | 44.9 | 81% | 0.81 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 62.7 | 19.9 | -175.8 | -49.6 | -75.3 | 0 | 0 | 0 | 114.9 | M135 G139 | M135-H137 PolarHBondContact O-N 3.17Å; M135-H137 VanDerWaalsContact O-N 3.12Å; H137-G139 PolarHBondContact O-N 3.37Å |
| 138 | H | 83.6 | Confident | 93.5 | Very high | 45 Ų | 45 | 44.7 Ų | 44.7 | 21% | 0.208 | 23% | 0.225 | C | C | . | . | B | Isolated β-bridge | trans | -94.5 | 80.6 | 175.1 | -59.4 | -53.1 | 0 | 0 | 0 | 111.1 | H64 A66 E67 R68 M135 H136 | H64-H138 VanDerWaalsContact CA-CE1 3.47Å; H64-H138 WeakPolarHBondContact CA-CE1 3.43Å; H64-H138 PolarHBondContact O-CE1 2.86Å; H64-H138 PolarHBondContact O-ND1 2.97Å; A66-H138 WeakPolarHBondContact O-CB 3.47Å; E67-H138 CarbonylContact C-O 3.52Å; E67-H138 WeakPolarHBondContact CA-O 3.39Å; R68-H138 PolarHBondContact N-O 3.15Å; R68-H138 PolarHBondContact NH1-CD2 3.38Å; R68-H138 VanDerWaalsContact NH1-CD2 3.31Å; M135-H138 WeakPolarHBondContact O-CB 3.29Å; M135-H138 PolarHBondContact O-N 2.89Å; H136-H138 PolarHBondContact O-N 3.29Å |
| 139 | G | 85.4 | Confident | 93.5 | Very high | 32 Ų | 32 | 44.1 Ų | 44.1 | 33% | 0.33 | 22% | 0.223 | S | C | . | . | S | Bend | trans | 151.6 | 176.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y69 H137 | Y69-G139 WeakPolarHBondContact OH-CA 3.46Å; H137-G139 PolarHBondContact O-N 3.37Å |
| 140 | S | 86.1 | Confident | 93.3 | Very high | 50 Ų | 50 | 45.4 Ų | 45.4 | 35% | 0.35 | 23% | 0.233 | S | C | . | . | trans | -76.8 | 147.9 | 172.9 | -68.9 | 0 | 0 | 0 | 0 | 111 | S29 Y69 C142 | S29-S140 WeakPolarHBondContact CB-OG 3.35Å; Y69-S140 WeakPolarHBondContact CE1-O 3.4Å; Y69-S140 PolarHBondContact OH-N 3.04Å; S140-C142 PolarHBondContact O-N 3.37Å | ||
| 141 | D | 86.1 | Confident | 92.8 | Very high | 132 Ų | 132 | 47 Ų | 47 | 71% | 0.706 | 25% | 0.25 | S | C | * | . | S | Bend | trans | -72.4 | 126.8 | 172.7 | -74.2 | -41.8 | 0 | 0 | 0 | 109.5 | ||
| 142 | C | 90.5 | Very high | 91.7 | Very high | 23 Ų | 23 | 55.3 Ų | 55.3 | 16% | 0.155 | 29% | 0.288 | C | S | . | . | trans | 58.8 | 78.5 | 171.9 | -173.6 | 0 | 0 | 0 | 0 | 116.1 | C82 S140 | C82-C142 HydrophobicContact CB-CB 3.74Å; C82-C142 WeakPolarHBondContact CB-SG 3.24Å; C82-C142 WeakPolarHBondContact SG-CB 3.49Å; C82-C142 CovalentContact SG-SG 1.96Å; C82-C142 PolarHBondContact SG-SG 3.5Å; S140-C142 PolarHBondContact O-N 3.37Å | ||
| 143 | L | 96.9 | Very high | 90 | Very high | 10 Ų | 10 | 65.9 Ų | 65.9 | 5% | 0.052 | 33% | 0.334 | C | S | . | . | trans | -81.8 | 138 | 155.2 | -53.4 | 176.7 | 0 | 0 | 0 | 107.7 | W27 F34 Y69 I131 S132 | W27-L143 HydrophobicContact CZ2-CB 3.99Å; W27-L143 WeakPolarHBondContact CZ2-O 3.2Å; F34-L143 HydrophobicContact CB-CD2 3.94Å; F34-L143 HydrophobicContact CD1-CB 3.93Å; F34-L143 HydrophobicContact CD1-CD2 4.38Å; F34-L143 HydrophobicContact CE1-CB 4.02Å; F34-L143 HydrophobicContact CG-CB 4.39Å; F34-L143 HydrophobicContact CG-CD2 4.11Å; Y69-L143 HydrophobicContact CE1-CD1 4.36Å; Y69-L143 HydrophobicContact CE2-CD1 3.98Å; I131-L143 CarbonylContact C-O 3.41Å; I131-L143 WeakPolarHBondContact CA-O 3.34Å; S132-L143 PolarHBondContact N-O 3.44Å; S132-L143 WeakPolarHBondContact OG-CB 3.45Å; S132-L143 PolarHBondContact OG-N 3.39Å; S132-L143 PolarHBondContact OG-O 3.07Å | ||
| 144 | R | 97.4 | Very high | 87.8 | Confident | 50 Ų | 50 | 65.9 Ų | 65.9 | 19% | 0.189 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 142.9 | -178 | 71.8 | -179.1 | -170 | -173.8 | -7 | 112.6 | F34 D37 Y79 Y130 I131 | F34-R144 WeakPolarHBondContact CD1-O 3.49Å; F34-R144 VanDerWaalsContact CE1-O 3.28Å; F34-R144 WeakPolarHBondContact CE1-O 3.4Å; D37-R144 PolarHBondContact O-NE 3.44Å; D37-R144 VanDerWaalsContact O-NE 3.12Å; D37-R144 PolarHBondContact O-NH2 2.8Å; Y79-R144 HydrophobicContact CD2-CB 3.99Å; Y79-R144 HydrophobicContact CD2-CG 4.44Å; Y79-R144 HydrophobicContact CE2-CB 3.54Å; Y79-R144 HydrophobicContact CE2-CG 3.68Å; Y79-R144 PolarHBondContact O-NH1 3.49Å; Y130-R144 CarbonylContact O-C 3.54Å; Y130-R144 VanDerWaalsContact O-CA 3.28Å; Y130-R144 WeakPolarHBondContact O-CA 3.29Å; I131-R144 HydrophobicContact CG2-CB 3.88Å |
| 145 | L | 98.5 | Very high | 85.3 | Confident | 0 Ų | 0 | 70.9 Ų | 70.9 | 0% | 0 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 133.3 | -177.4 | 172.4 | 71.1 | 0 | 0 | 0 | 109.5 | V25 W27 F34 Y39 V41 L49 Y130 V147 | V25-L145 HydrophobicContact CG1-CD2 4.36Å; V25-L145 HydrophobicContact CG2-CD2 4.2Å; W27-L145 HydrophobicContact CH2-CB 3.81Å; W27-L145 HydrophobicContact CZ3-CB 3.58Å; W27-L145 HydrophobicContact CZ3-CD2 3.98Å; W27-L145 HydrophobicContact CZ3-CG 4.43Å; F34-L145 HydrophobicContact CE1-CB 4.45Å; Y39-L145 HydrophobicContact CD1-CD1 4.25Å; Y39-L145 HydrophobicContact CD2-CD1 4.1Å; Y39-L145 HydrophobicContact CE2-CD1 4.48Å; Y39-L145 HydrophobicContact CG-CD1 3.96Å; V41-L145 HydrophobicContact CB-CD1 4.46Å; V41-L145 HydrophobicContact CG2-CD1 3.92Å; L49-L145 HydrophobicContact CD2-CD2 4.04Å; Y130-L145 PolarHBondContact N-O 3.1Å; Y130-L145 PolarHBondContact O-N 3.27Å; L145-V147 HydrophobicContact CD2-CG2 3.82Å; L145-V147 HydrophobicContact CG-CG2 3.93Å |
| 146 | R | 98.5 | Very high | 83.2 | Confident | 76 Ų | 76 | 73.2 Ų | 73.2 | 29% | 0.287 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 138.1 | 166.4 | -176.5 | -177.8 | -53 | -152.3 | -0.7 | 109.6 | Y39 T40 V41 Y129 | Y39-R146 PolarHBondContact O-N 3.46Å; T40-R146 CarbonylContact C-O 3.59Å; T40-R146 VanDerWaalsContact CA-O 3.25Å; T40-R146 WeakPolarHBondContact CA-O 3.28Å; T40-R146 HydrophobicContact CG2-CB 4.18Å; T40-R146 HydrophobicContact CG2-CG 4.17Å; V41-R146 PolarHBondContact N-O 3.06Å; Y129-R146 HydrophobicContact CD1-CB 4.38Å; Y129-R146 HydrophobicContact CD1-CG 4.15Å; Y129-R146 HydrophobicContact CE1-CB 4.49Å; Y129-R146 HydrophobicContact CE1-CG 3.86Å |
| 147 | V | 98.4 | Very high | 81 | Confident | 0 Ų | 0 | 75.7 Ų | 75.7 | 0% | 0 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 113.4 | 176.4 | -171.7 | 0 | 0 | 0 | 0 | 109.2 | V41 V43 L49 F110 S127 Y128 Y130 L145 | V41-V147 CarbonylContact O-C 3.58Å; V41-V147 WeakPolarHBondContact O-CA 3.45Å; V43-V147 HydrophobicContact CB-CG1 4.37Å; V43-V147 HydrophobicContact CG1-CG1 3.8Å; V43-V147 HydrophobicContact CG2-CG1 3.61Å; L49-V147 HydrophobicContact CD2-CG2 3.85Å; F110-V147 HydrophobicContact CE1-CB 4.38Å; F110-V147 HydrophobicContact CE1-CG1 3.67Å; F110-V147 HydrophobicContact CE2-CG1 4.32Å; F110-V147 HydrophobicContact CZ-CB 4.22Å; F110-V147 HydrophobicContact CZ-CG1 3.47Å; F110-V147 VanDerWaalsContact CZ-CG1 3.47Å; S127-V147 CarbonylContact C-O 3.55Å; S127-V147 WeakPolarHBondContact CA-O 3.33Å; Y128-V147 PolarHBondContact N-O 3.34Å; Y128-V147 PolarHBondContact O-N 3.27Å; Y130-V147 HydrophobicContact CD2-CG2 3.9Å; Y130-V147 HydrophobicContact CE2-CG2 3.85Å; L145-V147 HydrophobicContact CD2-CG2 3.82Å; L145-V147 HydrophobicContact CG-CG2 3.93Å |
| 148 | D | 98.2 | Very high | 79 | Confident | 41 Ų | 41 | 72.6 Ų | 72.6 | 22% | 0.219 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 118.4 | -179 | -69.4 | -24.7 | 0 | 0 | 0 | 109.6 | T40 V41 E42 V43 S127 V150 | T40-D148 WeakPolarHBondContact CG2-OD2 3.34Å; V41-D148 PolarHBondContact O-N 2.64Å; E42-D148 WeakPolarHBondContact CA-O 3.31Å; V43-D148 PolarHBondContact N-O 2.95Å; S127-D148 WeakPolarHBondContact CB-OD1 3Å; S127-D148 PolarHBondContact OG-OD1 2.95Å; D148-V150 PolarHBondContact O-N 3.43Å |
| 149 | V | 97.5 | Very high | 77.2 | Confident | 3 Ų | 3 | 79.3 Ų | 79.3 | 2% | 0.018 | 45% | 0.451 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 97.8 | 178.7 | -173.4 | 0 | 0 | 0 | 0 | 108.8 | V43 I45 F110 R123 G125 E126 Y128 G151 | V43-V149 HydrophobicContact CG2-CB 4.41Å; V43-V149 HydrophobicContact CG2-CG2 3.87Å; V43-V149 CarbonylContact O-C 3.58Å; V43-V149 VanDerWaalsContact O-CA 3.26Å; V43-V149 WeakPolarHBondContact O-CA 3.36Å; I45-V149 HydrophobicContact CD1-CG1 3.67Å; I45-V149 HydrophobicContact CG1-CG1 3.99Å; F110-V149 HydrophobicContact CD1-CG2 3.54Å; F110-V149 HydrophobicContact CE1-CG2 3.93Å; R123-V149 WeakPolarHBondContact O-CB 3.47Å; G125-V149 PolarHBondContact N-O 2.89Å; E126-V149 PolarHBondContact O-N 3.34Å; Y128-V149 HydrophobicContact CD2-CG2 3.62Å; Y128-V149 HydrophobicContact CE2-CB 4.42Å; Y128-V149 HydrophobicContact CE2-CG2 3.51Å; V149-G151 PolarHBondContact O-N 3.07Å |
| 150 | V | 94.6 | Very high | 75.2 | Confident | 49 Ų | 49 | 88.2 Ų | 88.2 | 30% | 0.297 | 48% | 0.475 | S | S | . | . | P | Polyproline II helix | trans | -69.4 | 130.2 | -176.7 | -55.8 | 0 | 0 | 0 | 0 | 110.9 | E42 V43 R44 D148 | E42-V150 HydrophobicContact CB-CG1 3.95Å; E42-V150 HydrophobicContact CG-CG1 4.07Å; V43-V150 PolarHBondContact O-N 3.44Å; R44-V150 HydrophobicContact CG-CG2 3.54Å; D148-V150 PolarHBondContact O-N 3.43Å |
| 151 | G | 87.5 | Confident | 73.1 | Confident | 34 Ų | 34 | 92.9 Ų | 92.9 | 35% | 0.351 | 50% | 0.496 | S | S | . | . | P | Polyproline II helix | trans | -75.3 | 154.5 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112 | V149 K153 | V149-G151 PolarHBondContact O-N 3.07Å; G151-K153 PolarHBondContact O-N 2.69Å; G151-K153 VanDerWaalsContact O-N 3.15Å |
| 152 | H | 75.4 | Confident | 70.7 | Confident | 174 Ų | 174 | 96.1 Ų | 96.1 | 81% | 0.806 | 50% | 0.504 | S | S | * | . | P | Polyproline II helix | trans | -62.4 | 119.6 | 165.2 | -84.9 | 53.3 | 0 | 0 | 0 | 107.8 | G154 | H152-G154 VanDerWaalsContact C-N 3.29Å; H152-G154 PolarHBondContact O-N 3.5Å |
| 153 | K | 60 | Low | 68 | Low | 222 Ų | 222 | 100.8 Ų | 100.8 | 97% | 0.965 | 54% | 0.536 | S | S | * | . | trans | -62.6 | 90.4 | -179.2 | -69.8 | -175.1 | -179.7 | 177.7 | 0 | 110 | G151 | G151-K153 PolarHBondContact O-N 2.69Å; G151-K153 VanDerWaalsContact O-N 3.15Å | ||
| 154 | G | 50.8 | Low | 64.9 | Low | 66 Ų | 66 | 108.8 Ų | 108.8 | 68% | 0.68 | 57% | 0.57 | S | S | * | * | trans | -127.8 | 90.7 | 163.2 | 0 | 0 | 0 | 0 | 0 | 108.4 | H152 | H152-G154 VanDerWaalsContact C-N 3.29Å; H152-G154 PolarHBondContact O-N 3.5Å | ||
| 155 | S | 43.1 | Very low | 61.7 | Low | 128 Ų | 128 | 110.7 Ų | 110.7 | 90% | 0.895 | 60% | 0.597 | S | S | * | * | S | Bend | trans | 75.4 | 138.3 | 173.6 | -153.2 | 0 | 0 | 0 | 0 | 117.6 | ||
| 156 | A | 47.9 | Very low | 58.4 | Low | 83 Ų | 83 | 119.4 Ų | 119.4 | 69% | 0.686 | 64% | 0.638 | S | S | * | * | trans | -62.3 | 150.7 | -175 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 157 | K | 41.8 | Very low | 55 | Low | 196 Ų | 196 | 123.8 Ų | 123.8 | 85% | 0.852 | 66% | 0.662 | S | S | * | * | -178.1 | 125.8 | 96.6 | -94 | 170.6 | -177 | 175.4 | 0 | 111.6 | H159 | K157-H159 PolarHBondContact O-N 3.31Š| |||
| 158 | S | 41 | Very low | 51.5 | Low | 110 Ų | 110 | 129.6 Ų | 129.6 | 77% | 0.769 | 70% | 0.702 | S | S | * | * | trans | -52.5 | 111.9 | 157.4 | 156.6 | 0 | 0 | 0 | 0 | 109.2 | R160 | S158-R160 PolarHBondContact O-N 3.37Å; S158-R160 VanDerWaalsContact O-N 3.08Å | ||
| 159 | H | 44.6 | Very low | 48.2 | Very low | 186 Ų | 186 | 135.4 Ų | 135.4 | 86% | 0.861 | 73% | 0.728 | S | S | * | * | trans | -76.3 | 93.6 | 166.8 | -137 | -90.8 | 0 | 0 | 0 | 107.4 | K157 | K157-H159 PolarHBondContact O-N 3.31Š| ||
| 160 | R | 43.5 | Very low | 44.8 | Very low | 220 Ų | 220 | 145.1 Ų | 145.1 | 83% | 0.83 | 77% | 0.77 | S | S | * | * | trans | -85.1 | 120.4 | 172.4 | -164.5 | 173.3 | 101.9 | 179.9 | 8.2 | 107.8 | S158 | S158-R160 PolarHBondContact O-N 3.37Å; S158-R160 VanDerWaalsContact O-N 3.08Å | ||
| 161 | D | 43.6 | Very low | 41.4 | Very low | 148 Ų | 148 | 150.4 Ų | 150.4 | 79% | 0.791 | 79% | 0.792 | S | S | * | * | trans | -47.4 | 139.1 | 174.8 | -75.9 | -47.4 | 0 | 0 | 0 | 112.5 | ||||
| 162 | K | 33.9 | Very low | 38.4 | Very low | 200 Ų | 200 | 156.9 Ų | 156.9 | 87% | 0.87 | 81% | 0.813 | S | S | * | * | trans | -132.4 | 84 | 168.2 | -155.3 | 176.1 | -172.9 | 179.9 | 0 | 109 | ||||
| 163 | S | 35.2 | Very low | 36 | Very low | 120 Ų | 120 | 156.7 Ų | 156.7 | 84% | 0.839 | 81% | 0.812 | S | S | * | * | trans | -62.2 | 127 | 157.8 | 41.6 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 164 | K | 30.7 | Very low | 34.4 | Very low | 178 Ų | 178 | 154.2 Ų | 154.2 | 77% | 0.774 | 80% | 0.801 | S | S | * | * | trans | -117.7 | 105.4 | 164 | -169.3 | -179.9 | -179.3 | -168.5 | 0 | 107.3 | ||||
| 165 | A | 31.3 | Very low | 33.2 | Very low | 91 Ų | 91 | 157.5 Ų | 157.5 | 75% | 0.752 | 80% | 0.802 | S | S | * | * | trans | -77.8 | 138.9 | 154.4 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 166 | E | 28.3 | Very low | 32.3 | Very low | 182 Ų | 182 | 159.3 Ų | 159.3 | 85% | 0.85 | 79% | 0.794 | S | S | * | * | trans | -163 | 143.6 | 134.4 | -108 | 166.8 | -171.8 | 0 | 0 | 109.8 | ||||
| 167 | E | 27 | Very low | 31.2 | Very low | 168 Ų | 168 | 162.6 Ų | 162.6 | 79% | 0.785 | 79% | 0.793 | S | S | * | * | trans | -102.3 | 153.9 | -155.7 | 169.6 | -179.4 | -151.3 | 0 | 0 | 111.4 | ||||
| 168 | S | 26.6 | Very low | 30.4 | Very low | 122 Ų | 122 | 159.9 Ų | 159.9 | 85% | 0.853 | 79% | 0.787 | S | S | * | * | trans | -172.8 | 133.7 | 133.3 | 73.6 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 169 | E | 27.2 | Very low | 29.7 | Very low | 163 Ų | 163 | 159.2 Ų | 159.2 | 76% | 0.762 | 79% | 0.789 | S | S | * | * | trans | -77.5 | 160.7 | -171.7 | -54.6 | 164.7 | 134.5 | 0 | 0 | 114.8 | ||||
| 170 | K | 26.9 | Very low | 29 | Very low | 207 Ų | 207 | 155.6 Ų | 155.6 | 90% | 0.9 | 79% | 0.791 | S | S | * | * | -173 | 124.5 | 128.3 | -103.7 | 175.5 | -176.7 | -174.7 | 0 | 114.6 | |||||
| 171 | E | 23.1 | Very low | 28.3 | Very low | 161 Ų | 161 | 148.7 Ų | 148.7 | 75% | 0.752 | 79% | 0.789 | S | S | * | * | trans | -8.2 | 141.5 | 160.9 | -93.4 | 167.5 | 149.3 | 0 | 0 | 124.5 | ||||
| 172 | E | 24.5 | Very low | 27.6 | Very low | 170 Ų | 170 | 144.8 Ų | 144.8 | 79% | 0.794 | 78% | 0.783 | S | S | * | * | 52.5 | 143.4 | 129.7 | -72.9 | -177.5 | 174.3 | 0 | 0 | 121.8 | |||||
| 173 | E | 24.6 | Very low | 27.5 | Very low | 169 Ų | 169 | 142 Ų | 142 | 79% | 0.79 | 78% | 0.782 | S | S | * | * | cis | -167.5 | 164.4 | -6.2 | -162.6 | -165.5 | -178.7 | 0 | 0 | 106.3 | ||||
| 174 | K | 26.6 | Very low | 27.6 | Very low | 171 Ų | 171 | 144.1 Ų | 144.1 | 74% | 0.743 | 78% | 0.779 | S | S | * | * | trans | 116.8 | 98.1 | 143.1 | -143.7 | 171.8 | -173 | 174.7 | 0 | 121.1 | ||||
| 175 | I | 25.2 | Very low | 27.9 | Very low | 135 Ų | 135 | 142.7 Ų | 142.7 | 69% | 0.692 | 78% | 0.779 | S | S | * | * | 71.8 | 117.6 | 126.7 | -58.6 | 175.5 | 0 | 0 | 0 | 123.4 | |||||
| 176 | K | 24.7 | Very low | 28.5 | Very low | 165 Ų | 165 | 143.6 Ų | 143.6 | 72% | 0.717 | 78% | 0.778 | S | S | * | * | trans | 60 | 127.7 | 140.6 | -90.3 | 174.2 | 165 | -176.1 | 0 | 125.6 | ||||
| 177 | F | 23.9 | Very low | 28.8 | Very low | 152 Ų | 152 | 139.5 Ų | 139.5 | 67% | 0.667 | 77% | 0.769 | S | S | * | * | 99 | 118.6 | 125.5 | -90.4 | -50.2 | 0 | 0 | 0 | 121.8 | |||||
| 178 | N | 25.9 | Very low | 29.1 | Very low | 139 Ų | 139 | 139.1 Ų | 139.1 | 74% | 0.743 | 77% | 0.772 | S | S | * | * | trans | 46.1 | 118.6 | 143.5 | -64.9 | -9.1 | 0 | 0 | 0 | 120.9 | ||||
| 179 | A | 27.4 | Very low | 29.9 | Very low | 96 Ų | 96 | 144.9 Ų | 144.9 | 79% | 0.793 | 78% | 0.776 | S | S | * | * | 164.8 | 137.8 | 93.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 180 | A | 28 | Very low | 30.4 | Very low | 111 Ų | 111 | 144.7 Ų | 144.7 | 92% | 0.917 | 78% | 0.779 | S | S | * | * | trans | 62.1 | 127.1 | 143.8 | 0 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 181 | G | 29.5 | Very low | 30.9 | Very low | 75 Ų | 75 | 140.2 Ų | 140.2 | 77% | 0.773 | 77% | 0.771 | S | S | * | * | trans | 133.1 | 85 | 162.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 182 | G | 28.5 | Very low | 31.7 | Very low | 65 Ų | 65 | 137.2 Ų | 137.2 | 67% | 0.67 | 77% | 0.774 | S | S | * | * | 57.3 | 103.2 | 81.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | |||||
| 183 | V | 31.5 | Very low | 32.3 | Very low | 142 Ų | 142 | 137 Ų | 137 | 86% | 0.861 | 78% | 0.778 | S | S | * | * | -159.8 | 117.5 | 81.3 | 172.6 | 0 | 0 | 0 | 0 | 109.1 | |||||
| 184 | H | 38.3 | Very low | 33 | Very low | 165 Ų | 165 | 136.6 Ų | 136.6 | 76% | 0.764 | 78% | 0.781 | S | S | * | * | trans | -114.3 | 131.4 | 158.8 | 24.6 | -79.1 | 0 | 0 | 0 | 105.7 | P186 | H184-P186 VanDerWaalsContact O-CD 3.24Å; H184-P186 WeakPolarHBondContact O-CD 3.48Å | ||
| 185 | N | 37.2 | Very low | 34 | Very low | 147 Ų | 147 | 133.9 Ų | 133.9 | 79% | 0.786 | 78% | 0.781 | S | S | * | * | trans | -101.6 | 103.7 | 176.7 | 179.1 | 36.2 | 0 | 0 | 0 | 108.9 | ||||
| 186 | P | 42.7 | Very low | 34.6 | Very low | 110 Ų | 110 | 132 Ų | 132 | 71% | 0.714 | 79% | 0.786 | S | S | * | * | trans | -109.6 | 108.9 | 166.7 | 34.6 | -21.6 | 0 | 0 | 0 | 108.9 | H184 | H184-P186 VanDerWaalsContact O-CD 3.24Å; H184-P186 WeakPolarHBondContact O-CD 3.48Å | ||
| 187 | S | 34.4 | Very low | 35.6 | Very low | 97 Ų | 97 | 130.4 Ų | 130.4 | 68% | 0.678 | 79% | 0.79 | S | S | * | * | trans | -149.6 | 102.1 | 164.1 | -112.4 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 188 | N | 34.4 | Very low | 36.3 | Very low | 159 Ų | 159 | 131.7 Ų | 131.7 | 85% | 0.85 | 80% | 0.8 | S | S | * | * | -169.6 | 77.8 | 126.8 | -89.1 | -10.9 | 0 | 0 | 0 | 108.3 | |||||
| 189 | R | 42.9 | Very low | 37 | Very low | 244 Ų | 244 | 133.4 Ų | 133.4 | 92% | 0.921 | 80% | 0.804 | S | S | * | * | trans | -98.8 | 123.9 | 149.6 | -90.7 | -167.9 | 175.9 | -178.3 | -0.5 | 106.3 | ||||
| 190 | L | 37.4 | Very low | 37.6 | Very low | 158 Ų | 158 | 134.3 Ų | 134.3 | 83% | 0.827 | 80% | 0.801 | S | S | * | * | trans | -119.9 | 151.7 | 160.9 | -75.4 | 176.4 | 0 | 0 | 0 | 109 | ||||
| 191 | P | 37.8 | Very low | 37.8 | Very low | 113 Ų | 113 | 136 Ų | 136 | 73% | 0.734 | 80% | 0.795 | S | S | * | * | trans | -87 | 160.9 | -148.2 | -5.9 | 25.7 | 0 | 0 | 0 | 113.1 | ||||
| 192 | A | 40.1 | Very low | 38.5 | Very low | 98 Ų | 98 | 138.1 Ų | 138.1 | 81% | 0.81 | 79% | 0.793 | S | S | * | * | trans | -72.5 | 130 | 165.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 193 | D | 37.5 | Very low | 39 | Very low | 166 Ų | 166 | 143.4 Ų | 143.4 | 89% | 0.888 | 80% | 0.8 | S | S | * | * | trans | -127 | 136.2 | 157.2 | -87 | -43.3 | 0 | 0 | 0 | 108.1 | ||||
| 194 | D | 38.8 | Very low | 39.4 | Very low | 161 Ų | 161 | 147.5 Ų | 147.5 | 86% | 0.861 | 80% | 0.8 | S | S | * | * | trans | -78 | 177.1 | -172 | -127.4 | -11.3 | 0 | 0 | 0 | 112.5 | ||||
| 195 | P | 48.2 | Very low | 39.2 | Very low | 113 Ų | 113 | 145.1 Ų | 145.1 | 73% | 0.734 | 80% | 0.802 | S | S | * | * | trans | -95.8 | 131.7 | -136 | 34.6 | -20.1 | 0 | 0 | 0 | 113.1 | ||||
| 196 | A | 37 | Very low | 39.5 | Very low | 97 Ų | 97 | 145.7 Ų | 145.7 | 80% | 0.802 | 80% | 0.803 | S | S | * | * | trans | -106.9 | 110.6 | 162.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | M198 | A196-M198 PolarHBondContact O-N 3.48Š| ||
| 197 | V | 45.9 | Very low | 39 | Very low | 131 Ų | 131 | 144 Ų | 144 | 79% | 0.794 | 81% | 0.806 | S | S | * | * | trans | -41.5 | 119.4 | 165.5 | 168.5 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 198 | M | 37.7 | Very low | 39 | Very low | 178 Ų | 178 | 144.2 Ų | 144.2 | 88% | 0.877 | 81% | 0.808 | S | S | * | * | trans | -140.2 | 91.6 | 155.9 | -136 | -174.7 | -66 | 0 | 0 | 107.1 | A196 P200 | A196-M198 PolarHBondContact O-N 3.48Å; M198-P200 VanDerWaalsContact O-CD 3.29Å; M198-P200 WeakPolarHBondContact O-CD 3.49Å | ||
| 199 | E | 41.9 | Very low | 39.1 | Very low | 176 Ų | 176 | 141.6 Ų | 141.6 | 82% | 0.822 | 80% | 0.802 | S | S | * | * | trans | -59.8 | 121.8 | 165.8 | -79.1 | -179.7 | 103.5 | 0 | 0 | 108.8 | N201 | E199-N201 PolarHBondContact O-N 3.22Š| ||
| 200 | P | 39 | Very low | 39.2 | Very low | 114 Ų | 114 | 135.2 Ų | 135.2 | 74% | 0.74 | 80% | 0.801 | S | S | * | * | trans | -74.7 | 113 | 162.7 | 28.3 | -28.3 | 0 | 0 | 0 | 108.4 | M198 V202 | M198-P200 VanDerWaalsContact O-CD 3.29Å; M198-P200 WeakPolarHBondContact O-CD 3.49Å; P200-V202 PolarHBondContact O-N 2.82Å | ||
| 201 | N | 33.8 | Very low | 39.3 | Very low | 147 Ų | 147 | 131.8 Ų | 131.8 | 79% | 0.786 | 80% | 0.795 | S | S | * | * | trans | -61.6 | 97.8 | 170.2 | -171.5 | 4.9 | 0 | 0 | 0 | 109.3 | E199 Q203 | E199-N201 PolarHBondContact O-N 3.22Å; N201-Q203 VanDerWaalsContact C-N 3.34Å; N201-Q203 PolarHBondContact O-N 3.4Å | ||
| 202 | V | 44 | Very low | 39.6 | Very low | 120 Ų | 120 | 135.2 Ų | 135.2 | 73% | 0.727 | 80% | 0.801 | S | S | * | * | trans | -70.3 | 94 | 171.1 | 178.6 | 0 | 0 | 0 | 0 | 107.6 | P200 R204 | P200-V202 PolarHBondContact O-N 2.82Å; V202-R204 PolarHBondContact O-N 3.21Å | ||
| 203 | Q | 38.2 | Very low | 39.7 | Very low | 175 Ų | 175 | 138.3 Ų | 138.3 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | trans | -62.1 | 103.5 | 162.5 | -79.9 | -171.8 | -82.4 | 0 | 0 | 108.2 | N201 S205 | N201-Q203 VanDerWaalsContact C-N 3.34Å; N201-Q203 PolarHBondContact O-N 3.4Å; Q203-S205 PolarHBondContact O-N 3.06Å | ||
| 204 | R | 40 | Very low | 40 | Very low | 229 Ų | 229 | 134.9 Ų | 134.9 | 86% | 0.864 | 79% | 0.789 | S | S | * | * | trans | -54.7 | 102.5 | 163.2 | -86.1 | -179.8 | 175.7 | 149.1 | -0.5 | 108.5 | V202 I206 | V202-R204 PolarHBondContact O-N 3.21Å; R204-I206 PolarHBondContact O-N 3.26Å | ||
| 205 | S | 34.7 | Very low | 40.4 | Very low | 115 Ų | 115 | 130.2 Ų | 130.2 | 80% | 0.804 | 77% | 0.769 | S | S | * | * | trans | -75 | 108.6 | 160.3 | 56.9 | 0 | 0 | 0 | 0 | 107.9 | Q203 G207 | Q203-S205 PolarHBondContact O-N 3.06Å; S205-G207 VanDerWaalsContact C-N 3.32Å; S205-G207 PolarHBondContact O-N 2.58Å | ||
| 206 | I | 42.3 | Very low | 40.5 | Very low | 158 Ų | 158 | 130.7 Ų | 130.7 | 81% | 0.81 | 76% | 0.764 | S | S | * | * | trans | -73.9 | 92.9 | 166.8 | -66.7 | 160.5 | 0 | 0 | 0 | 106 | R204 S208 | R204-I206 PolarHBondContact O-N 3.26Å; I206-S208 PolarHBondContact O-N 2.74Å | ||
| 207 | G | 32.2 | Very low | 41.2 | Very low | 76 Ų | 76 | 129.6 Ų | 129.6 | 78% | 0.784 | 75% | 0.751 | S | S | * | * | trans | -87 | 84.1 | 169.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | S205 | S205-G207 VanDerWaalsContact C-N 3.32Å; S205-G207 PolarHBondContact O-N 2.58Å | ||
| 208 | S | 34.5 | Very low | 41.5 | Very low | 101 Ų | 101 | 130.2 Ų | 130.2 | 71% | 0.706 | 74% | 0.743 | S | S | * | * | trans | -71.3 | 121.4 | 163.7 | -179.8 | 0 | 0 | 0 | 0 | 109.3 | I206 | I206-S208 PolarHBondContact O-N 2.74Š| ||
| 209 | S | 38.1 | Very low | 42.2 | Very low | 104 Ų | 104 | 128.2 Ų | 128.2 | 73% | 0.727 | 73% | 0.73 | S | S | * | * | trans | 155.1 | 108.6 | 131.1 | -68.6 | 0 | 0 | 0 | 0 | 110.1 | A211 | S209-A211 PolarHBondContact O-N 2.89Š| ||
| 210 | A | 45.1 | Very low | 42.8 | Very low | 109 Ų | 109 | 127.1 Ų | 127.1 | 90% | 0.901 | 72% | 0.722 | S | S | * | * | trans | -59.9 | 99.2 | 158.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 211 | A | 39.3 | Very low | 43.8 | Very low | 86 Ų | 86 | 125.7 Ų | 125.7 | 71% | 0.711 | 71% | 0.712 | S | S | * | * | trans | -101.4 | 107.1 | 153.4 | 0 | 0 | 0 | 0 | 0 | 105.9 | S209 L213 | S209-A211 PolarHBondContact O-N 2.89Å; A211-L213 PolarHBondContact O-N 3.31Å | ||
| 212 | Q | 43.9 | Very low | 45.1 | Very low | 185 Ų | 185 | 121.4 Ų | 121.4 | 86% | 0.864 | 69% | 0.691 | S | S | * | * | trans | -55.4 | 106.7 | 165.6 | -73.4 | 172.6 | -52.4 | 0 | 0 | 106.9 | V214 | Q212-V214 PolarHBondContact O-N 2.94Š| ||
| 213 | L | 42 | Very low | 46.2 | Very low | 164 Ų | 164 | 119.2 Ų | 119.2 | 86% | 0.859 | 68% | 0.678 | S | S | * | * | trans | -64.9 | 91.5 | 164.7 | -79.8 | 168.3 | 0 | 0 | 0 | 106.1 | A211 S215 | A211-L213 PolarHBondContact O-N 3.31Å; L213-S215 PolarHBondContact O-N 3.26Å | ||
| 214 | V | 43.7 | Very low | 47.2 | Very low | 94 Ų | 94 | 113.9 Ų | 113.9 | 57% | 0.57 | 66% | 0.658 | S | S | * | * | trans | -55.1 | 111.4 | 164.9 | 179 | 0 | 0 | 0 | 0 | 105.5 | Q212 L216 F219 | Q212-V214 PolarHBondContact O-N 2.94Å; V214-L216 PolarHBondContact O-N 3.27Å; V214-F219 HydrophobicContact CG1-CE2 4.04Å | ||
| 215 | S | 47.8 | Very low | 48.6 | Very low | 63 Ų | 63 | 107.4 Ų | 107.4 | 44% | 0.441 | 64% | 0.644 | S | S | . | * | trans | -42.8 | 111.8 | 179.3 | -172.9 | 0 | 0 | 0 | 0 | 109.8 | L213 S217 F218 | L213-S215 PolarHBondContact O-N 3.26Å; S215-S217 PolarHBondContact O-N 3.08Å; S215-S217 WeakPolarHBondContact OG-CB 3.32Å; S215-S217 PolarHBondContact OG-OG 3.04Å; S215-F218 PolarHBondContact O-N 2.97Å | ||
| 216 | L | 48.9 | Very low | 49.8 | Very low | 123 Ų | 123 | 107.4 Ų | 107.4 | 64% | 0.644 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -53.1 | -21.7 | 176.4 | -101.1 | 92.1 | 0 | 0 | 0 | 111.9 | V214 F218 F219 F220 | V214-L216 PolarHBondContact O-N 3.27Å; L216-F218 PolarHBondContact O-N 3.18Å; L216-F219 PolarHBondContact O-N 3Å; L216-F220 HydrophobicContact CD2-CE2 4.43Å; L216-F220 WeakPolarHBondContact O-CD2 3.34Å; L216-F220 PolarHBondContact O-N 3.05Å |
| 217 | S | 52.8 | Low | 50.7 | Low | 74 Ų | 74 | 104.8 Ų | 104.8 | 52% | 0.517 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -55.3 | -32.8 | 171.6 | -19.3 | 0 | 0 | 0 | 0 | 114 | S215 T221 | S215-S217 PolarHBondContact O-N 3.08Å; S215-S217 WeakPolarHBondContact OG-CB 3.32Å; S215-S217 PolarHBondContact OG-OG 3.04Å; S217-T221 WeakPolarHBondContact O-CG2 3.46Å; S217-T221 PolarHBondContact O-N 3.18Å; S217-T221 PolarHBondContact O-OG1 3Å |
| 218 | F | 50.9 | Low | 52.1 | Low | 143 Ų | 143 | 103.6 Ų | 103.6 | 63% | 0.627 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -72.7 | -37.1 | -179.6 | -129 | -86.8 | 0 | 0 | 0 | 111.3 | S215 L216 T221 V222 | S215-F218 PolarHBondContact O-N 2.97Å; L216-F218 PolarHBondContact O-N 3.18Å; F218-T221 PolarHBondContact O-OG1 3.22Å; F218-V222 HydrophobicContact CD1-CG2 3.65Å; F218-V222 HydrophobicContact CE1-CG2 3.85Å; F218-V222 WeakPolarHBondContact O-CB 3.24Å; F218-V222 VanDerWaalsContact O-CG2 3.22Å; F218-V222 WeakPolarHBondContact O-CG2 3.11Å; F218-V222 PolarHBondContact O-N 2.89Å; F218-V222 VanDerWaalsContact O-N 3.1Å |
| 219 | F | 52.1 | Low | 53.6 | Low | 137 Ų | 137 | 105.7 Ų | 105.7 | 60% | 0.601 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -68.5 | -40.8 | 177.1 | -76.7 | -76.4 | 0 | 0 | 0 | 112 | V214 L216 T221 T223 | V214-F219 HydrophobicContact CG1-CE2 4.04Å; L216-F219 PolarHBondContact O-N 3Å; F219-T221 VanDerWaalsContact C-N 3.34Å; F219-T221 PolarHBondContact O-N 3.41Å; F219-T223 WeakPolarHBondContact O-CB 3.22Å; F219-T223 PolarHBondContact O-N 3.24Å; F219-T223 PolarHBondContact O-OG1 2.93Å |
| 220 | F | 56.3 | Low | 54.6 | Low | 152 Ų | 152 | 104.4 Ų | 104.4 | 67% | 0.667 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -72.9 | -21.9 | 179.8 | -82.5 | -75 | 0 | 0 | 0 | 114.5 | L216 P224 | L216-F220 HydrophobicContact CD2-CE2 4.43Å; L216-F220 WeakPolarHBondContact O-CD2 3.34Å; L216-F220 PolarHBondContact O-N 3.05Å; F220-P224 VanDerWaalsContact O-CD 3.29Å; F220-P224 WeakPolarHBondContact O-CD 3.47Å; F220-P224 WeakPolarHBondContact O-CG 3.22Å |
| 221 | T | 58.4 | Low | 55.4 | Low | 85 Ų | 85 | 104.6 Ų | 104.6 | 52% | 0.521 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -92.6 | -33.4 | 179.1 | 50.1 | 0 | 0 | 0 | 0 | 112.9 | S217 F218 F219 V225 | S217-T221 WeakPolarHBondContact O-CG2 3.46Å; S217-T221 PolarHBondContact O-N 3.18Å; S217-T221 PolarHBondContact O-OG1 3Å; F218-T221 PolarHBondContact O-OG1 3.22Å; F219-T221 VanDerWaalsContact C-N 3.34Å; F219-T221 PolarHBondContact O-N 3.41Å; T221-V225 WeakPolarHBondContact O-CG2 3.32Å |
| 222 | V | 62.7 | Low | 55.9 | Low | 57 Ų | 57 | 111.7 Ų | 111.7 | 35% | 0.345 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -88.8 | -30.7 | -174.5 | -178.3 | 0 | 0 | 0 | 0 | 112.8 | F218 V225 L226 | F218-V222 HydrophobicContact CD1-CG2 3.65Å; F218-V222 HydrophobicContact CE1-CG2 3.85Å; F218-V222 WeakPolarHBondContact O-CB 3.24Å; F218-V222 VanDerWaalsContact O-CG2 3.22Å; F218-V222 WeakPolarHBondContact O-CG2 3.11Å; F218-V222 PolarHBondContact O-N 2.89Å; F218-V222 VanDerWaalsContact O-N 3.1Å; V222-V225 PolarHBondContact O-N 3.26Å; V222-L226 HydrophobicContact CG1-CD1 3.7Å; V222-L226 HydrophobicContact CG1-CG 4.1Å; V222-L226 PolarHBondContact O-N 3.28Å |
| 223 | T | 66.1 | Low | 56.5 | Low | 74 Ų | 74 | 108.1 Ų | 108.1 | 45% | 0.454 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -61.5 | -44.7 | 177.8 | 39.3 | 0 | 0 | 0 | 0 | 114.8 | F219 V225 L226 L227 | F219-T223 WeakPolarHBondContact O-CB 3.22Å; F219-T223 PolarHBondContact O-N 3.24Å; F219-T223 PolarHBondContact O-OG1 2.93Å; T223-V225 VanDerWaalsContact C-N 3.32Å; T223-V225 PolarHBondContact O-N 3.01Å; T223-L226 PolarHBondContact O-N 2.82Å; T223-L227 WeakPolarHBondContact O-CB 3.35Å; T223-L227 PolarHBondContact O-N 2.92Å; T223-L227 VanDerWaalsContact O-N 3.07Å |
| 224 | P | 60.2 | Low | 57.2 | Low | 63 Ų | 63 | 105.1 Ų | 105.1 | 41% | 0.409 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -68.8 | -31 | 179 | 24.7 | -32.8 | 0 | 0 | 0 | 112.7 | F220 A228 | F220-P224 VanDerWaalsContact O-CD 3.29Å; F220-P224 WeakPolarHBondContact O-CD 3.47Å; F220-P224 WeakPolarHBondContact O-CG 3.22Å; P224-A228 WeakPolarHBondContact O-CB 3.1Å; P224-A228 PolarHBondContact O-N 3.27Å |
| 225 | V | 67.8 | Low | 58 | Low | 92 Ų | 92 | 105.7 Ų | 105.7 | 56% | 0.558 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -69.7 | -44.3 | 177.6 | 177.9 | 0 | 0 | 0 | 0 | 110.9 | T221 V222 T223 A228 M229 | T221-V225 WeakPolarHBondContact O-CG2 3.32Å; V222-V225 PolarHBondContact O-N 3.26Å; T223-V225 VanDerWaalsContact C-N 3.32Å; T223-V225 PolarHBondContact O-N 3.01Å; V225-A228 PolarHBondContact O-N 2.96Å; V225-M229 VanDerWaalsContact O-CG 3.29Å; V225-M229 WeakPolarHBondContact O-CG 3.29Å; V225-M229 PolarHBondContact O-N 2.94Å; V225-M229 VanDerWaalsContact O-N 3.15Å |
| 226 | L | 60.4 | Low | 58.6 | Low | 116 Ų | 116 | 108.2 Ų | 108.2 | 61% | 0.607 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -67.3 | -36.4 | 176.9 | -72.8 | 172.6 | 0 | 0 | 0 | 112.7 | V222 T223 M229 A230 | V222-L226 HydrophobicContact CG1-CD1 3.7Å; V222-L226 HydrophobicContact CG1-CG 4.1Å; V222-L226 PolarHBondContact O-N 3.28Å; T223-L226 PolarHBondContact O-N 2.82Å; L226-M229 PolarHBondContact O-N 2.95Å; L226-A230 PolarHBondContact O-N 2.96Å |
| 227 | L | 61.2 | Low | 59.2 | Low | 103 Ų | 103 | 107.3 Ų | 107.3 | 54% | 0.539 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -68.1 | -36.2 | 175.7 | -113.9 | 145 | 0 | 0 | 0 | 112.3 | T223 M229 A230 L231 | T223-L227 WeakPolarHBondContact O-CB 3.35Å; T223-L227 PolarHBondContact O-N 2.92Å; T223-L227 VanDerWaalsContact O-N 3.07Å; L227-M229 VanDerWaalsContact C-N 3.33Å; L227-A230 PolarHBondContact O-N 3.35Å; L227-L231 HydrophobicContact CD2-CD1 4.12Å; L227-L231 PolarHBondContact O-N 3.07Å |
| 228 | A | 62.4 | Low | 59.6 | Low | 50 Ų | 50 | 109.5 Ų | 109.5 | 41% | 0.413 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -67.6 | -32.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | P224 V225 A230 | P224-A228 WeakPolarHBondContact O-CB 3.1Å; P224-A228 PolarHBondContact O-N 3.27Å; V225-A228 PolarHBondContact O-N 2.96Å; A228-A230 VanDerWaalsContact C-N 3.34Å |
| 229 | M | 64.6 | Low | 60.2 | Low | 145 Ų | 145 | 107.1 Ų | 107.1 | 71% | 0.714 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -77.3 | -17.5 | 176.6 | -65.4 | -65.6 | -71.2 | 0 | 0 | 113.6 | V225 L226 L227 | V225-M229 VanDerWaalsContact O-CG 3.29Å; V225-M229 WeakPolarHBondContact O-CG 3.29Å; V225-M229 PolarHBondContact O-N 2.94Å; V225-M229 VanDerWaalsContact O-N 3.15Å; L226-M229 PolarHBondContact O-N 2.95Å; L227-M229 VanDerWaalsContact C-N 3.33Å |
| 230 | A | 60.6 | Low | 60.8 | Low | 78 Ų | 78 | 104.8 Ų | 104.8 | 65% | 0.645 | 58% | 0.581 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.5 | -3.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | L226 L227 A228 | L226-A230 PolarHBondContact O-N 2.96Å; L227-A230 PolarHBondContact O-N 3.35Å; A228-A230 VanDerWaalsContact C-N 3.34Å |
| 231 | L | 61.1 | Low | 61.2 | Low | 112 Ų | 112 | 100.9 Ų | 100.9 | 59% | 0.586 | 57% | 0.574 | S | S | * | * | trans | -109.9 | 9.8 | -179.9 | -86.8 | 154.2 | 0 | 0 | 0 | 113.3 | M1 L227 | M1-L231 HydrophobicContact CE-CD1 3.63Å; M1-L231 HydrophobicContact SD-CD1 3.59Å; M1-L231 VanDerWaalsContact SD-CD1 3.59Å; L227-L231 HydrophobicContact CD2-CD1 4.12Å; L227-L231 PolarHBondContact O-N 3.07Å | ||
| 232 | H | 49.3 | Very low | 61.5 | Low | 236 Ų | 236 | 102.4 Ų | 102.4 | 100% | 1.093 | 58% | 0.579 | S | S | * | * | trans | -112.2 | 0 | 160.9 | -82.9 | 146.7 | 0 | 0 | 0 | 109.6 |
Retrieved 232 of 232 residues in 103.3 ms
(Link to these results)