| 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 | R | 58.6 | Low | 59.1 | Low | 286 Ų | 286 | 142 Ų | 142 | 100% | 1.079 | 77% | 0.77 | S | S | * | * | 0 | 90.2 | 0 | -91.4 | -162.7 | 179.3 | -147.9 | 0.2 | 104.9 | |||||
| 2 | D | 60.8 | Low | 58.1 | Low | 166 Ų | 166 | 144.1 Ų | 144.1 | 89% | 0.888 | 78% | 0.78 | S | S | * | * | trans | -73.3 | 143.2 | -176.5 | -51.3 | -76.9 | 0 | 0 | 0 | 108.4 | ||||
| 3 | V | 78.7 | Confident | 57.2 | Low | 132 Ų | 132 | 137.5 Ų | 137.5 | 80% | 0.8 | 74% | 0.744 | S | S | * | * | trans | -120.8 | 115.3 | 177.1 | 177.7 | 0 | 0 | 0 | 0 | 104.3 | ||||
| 4 | D | 71.1 | Confident | 57.3 | Low | 148 Ų | 148 | 145.4 Ų | 145.4 | 79% | 0.791 | 76% | 0.757 | S | S | * | * | trans | -56.8 | 133.8 | 179 | -73.1 | -54 | 0 | 0 | 0 | 109.7 | V6 | D4-V6 PolarHBondContact O-N 2.93Š| ||
| 5 | P | 71.6 | Confident | 57.7 | Low | 110 Ų | 110 | 139.7 Ų | 139.7 | 71% | 0.714 | 73% | 0.725 | S | S | * | * | trans | -62.5 | 132.3 | 176.6 | 27.2 | -33.7 | 0 | 0 | 0 | 108.7 | T7 | P5-T7 PolarHBondContact O-N 3.35Š| ||
| 6 | V | 62.9 | Low | 59.1 | Low | 134 Ų | 134 | 141.8 Ų | 141.8 | 81% | 0.812 | 72% | 0.721 | S | S | * | * | trans | -63.7 | 108.7 | 178.3 | 66.7 | 0 | 0 | 0 | 0 | 108.9 | D4 S8 | D4-V6 PolarHBondContact O-N 2.93Å; V6-S8 PolarHBondContact O-N 3.21Å; V6-S8 VanDerWaalsContact O-N 3.08Å | ||
| 7 | T | 54.6 | Low | 60.7 | Low | 107 Ų | 107 | 133.9 Ų | 133.9 | 66% | 0.656 | 68% | 0.68 | S | S | * | * | trans | -71.3 | 106.1 | 170.5 | 46.1 | 0 | 0 | 0 | 0 | 107.2 | P5 T9 | P5-T7 PolarHBondContact O-N 3.35Å; T7-T9 PolarHBondContact O-N 3.44Å; T7-T9 PolarHBondContact O-OG1 2.8Å | ||
| 8 | S | 51.2 | Low | 62.1 | Low | 110 Ų | 110 | 131.8 Ų | 131.8 | 77% | 0.769 | 67% | 0.671 | S | S | * | * | trans | -64.2 | 73.1 | 164.1 | -62.3 | 0 | 0 | 0 | 0 | 108.7 | V6 N10 | V6-S8 PolarHBondContact O-N 3.21Å; V6-S8 VanDerWaalsContact O-N 3.08Å; S8-N10 PolarHBondContact O-N 3.14Å; S8-N10 VanDerWaalsContact O-N 3.14Å | ||
| 9 | T | 47.3 | Very low | 63.6 | Low | 83 Ų | 83 | 129.9 Ų | 129.9 | 51% | 0.509 | 67% | 0.666 | S | S | . | * | trans | -61.3 | 114.7 | 171.3 | 33.8 | 0 | 0 | 0 | 0 | 106.6 | T7 Q11 | T7-T9 PolarHBondContact O-N 3.44Å; T7-T9 PolarHBondContact O-OG1 2.8Å; T9-Q11 PolarHBondContact O-N 2.69Å; T9-Q11 WeakPolarHBondContact OG1-CG 3.43Å; T9-Q11 PolarHBondContact OG1-NE2 3.08Å; T9-Q11 VanDerWaalsContact OG1-NE2 3.1Å | ||
| 10 | N | 48.3 | Very low | 64.9 | Low | 169 Ų | 169 | 125.9 Ų | 125.9 | 90% | 0.904 | 66% | 0.658 | S | S | * | * | trans | -64.3 | 82.9 | 155.9 | -71.7 | -46.2 | 0 | 0 | 0 | 105.9 | S8 D12 | S8-N10 PolarHBondContact O-N 3.14Å; S8-N10 VanDerWaalsContact O-N 3.14Å; N10-D12 PolarHBondContact O-N 3.1Å | ||
| 11 | Q | 45.4 | Very low | 66.1 | Low | 117 Ų | 117 | 121.8 Ų | 121.8 | 55% | 0.547 | 64% | 0.637 | S | S | . | * | trans | -74.1 | 123.9 | 176.3 | -57.7 | -178.6 | 18 | 0 | 0 | 106.4 | T9 I13 | T9-Q11 PolarHBondContact O-N 2.69Å; T9-Q11 WeakPolarHBondContact OG1-CG 3.43Å; T9-Q11 PolarHBondContact OG1-NE2 3.08Å; T9-Q11 VanDerWaalsContact OG1-NE2 3.1Å; Q11-I13 HydrophobicContact CB-CD1 3.75Å; Q11-I13 HydrophobicContact CB-CG1 3.63Å; Q11-I13 PolarHBondContact O-N 2.76Å | ||
| 12 | D | 47.1 | Very low | 67.7 | Low | 167 Ų | 167 | 109.6 Ų | 109.6 | 89% | 0.893 | 59% | 0.593 | S | S | * | * | trans | -67.7 | 55.3 | 161.3 | -81.8 | -44.9 | 0 | 0 | 0 | 109.8 | N10 R14 | N10-D12 PolarHBondContact O-N 3.1Å; D12-R14 PolarHBondContact O-N 3.46Å | ||
| 13 | I | 46.6 | Very low | 69.2 | Low | 59 Ų | 59 | 101.7 Ų | 101.7 | 30% | 0.303 | 55% | 0.551 | S | S | . | * | trans | -67.3 | 122.7 | 166.3 | -49.9 | 138.7 | 0 | 0 | 0 | 105.4 | Q11 H15 D47 | Q11-I13 HydrophobicContact CB-CD1 3.75Å; Q11-I13 HydrophobicContact CB-CG1 3.63Å; Q11-I13 PolarHBondContact O-N 2.76Å; I13-H15 PolarHBondContact O-N 2.75Å; I13-D47 WeakPolarHBondContact CG2-OD1 3.11Å | ||
| 14 | R | 57.5 | Low | 69.9 | Low | 247 Ų | 247 | 99.9 Ų | 99.9 | 93% | 0.932 | 53% | 0.53 | S | S | * | . | trans | -72 | 75.1 | 168.5 | -64.7 | 176.1 | 179.6 | 161.1 | 0 | 107.8 | D12 | D12-R14 PolarHBondContact O-N 3.46Š| ||
| 15 | H | 63.4 | Low | 70.9 | Confident | 60 Ų | 60 | 92.8 Ų | 92.8 | 28% | 0.278 | 49% | 0.492 | S | S | . | . | trans | -51.7 | 143.8 | -178.8 | -61 | -58.6 | 0 | 0 | 0 | 109.6 | I13 Y17 V44 D47 | I13-H15 PolarHBondContact O-N 2.75Å; H15-Y17 PolarHBondContact O-N 3.12Å; H15-Y17 VanDerWaalsContact O-N 3.12Å; H15-V44 HydrophobicContact CB-CG1 4.16Å; H15-D47 IonicContact CE1-OD1 3.45Å; H15-D47 PolarHBondContact CE1-OD1 2.78Å; H15-D47 IonicContact CG-OD1 3.97Å; H15-D47 IonicContact ND1-OD1 2.78Å; H15-D47 PolarHBondContact ND1-OD1 3.45Å | ||
| 16 | R | 80.9 | Confident | 71.9 | Confident | 173 Ų | 173 | 93.6 Ų | 93.6 | 65% | 0.653 | 48% | 0.481 | S | S | * | . | S | Bend | trans | -66.6 | -14.9 | -178 | -178 | 167.8 | -72.3 | -167.3 | -2.5 | 112.7 | R64 | R16-R64 VanDerWaalsContact O-CZ 3.25Å; R16-R64 PolarHBondContact O-NE 3.04Å; R16-R64 PolarHBondContact O-NH2 3.05Å |
| 17 | Y | 86 | Confident | 73.1 | Confident | 9 Ų | 9 | 88.9 Ų | 88.9 | 4% | 0.035 | 45% | 0.453 | C | S | . | . | S | Bend | trans | -137.7 | 139.7 | -178.8 | -62.1 | -74.1 | 0 | 0 | 0 | 109.6 | H15 D21 V23 V44 V50 V59 I62 R63 R64 | H15-Y17 PolarHBondContact O-N 3.12Å; H15-Y17 VanDerWaalsContact O-N 3.12Å; Y17-D21 WeakPolarHBondContact CA-OD2 3.5Å; Y17-V23 HydrophobicContact CD1-CG1 3.69Å; Y17-V23 HydrophobicContact CE1-CG1 3.69Å; Y17-V44 WeakPolarHBondContact O-CG2 3.39Å; Y17-V50 HydrophobicContact CD2-CG2 4.17Å; Y17-V59 HydrophobicContact CD2-CG2 4.33Å; Y17-V59 HydrophobicContact CE2-CG1 4.2Å; Y17-V59 HydrophobicContact CE2-CG2 4.39Å; Y17-I62 HydrophobicContact CD1-CG2 4.28Å; Y17-I62 HydrophobicContact CD2-CG2 4.42Å; Y17-I62 HydrophobicContact CE1-CG2 3.7Å; Y17-I62 HydrophobicContact CE2-CB 4.04Å; Y17-I62 HydrophobicContact CE2-CG2 3.86Å; Y17-I62 VanDerWaalsContact CZ-CG2 3.48Å; Y17-I62 PolarHBondContact OH-O 3.23Å; Y17-R63 WeakPolarHBondContact OH-CA 3.47Å; Y17-R63 PolarHBondContact OH-N 3.4Å; Y17-R64 HydrophobicContact CD1-CG 3.92Å; Y17-R64 HydrophobicContact CE1-CB 4.29Å; Y17-R64 HydrophobicContact CE1-CG 3.39Å; Y17-R64 PolarHBondContact OH-N 3.42Å |
| 18 | N | 86 | Confident | 74.4 | Confident | 95 Ų | 95 | 89.9 Ų | 89.9 | 51% | 0.508 | 46% | 0.461 | S | S | . | . | trans | -101.6 | 158.5 | 171.7 | -62.4 | -32.7 | 0 | 0 | 0 | 110 | G20 D21 V41 | N18-G20 PolarHBondContact O-N 2.97Å; N18-D21 PolarHBondContact N-OD2 3.39Å; N18-D21 WeakPolarHBondContact O-CB 3.44Å; N18-D21 PolarHBondContact O-N 2.96Å; N18-D21 VanDerWaalsContact O-N 3.13Å; N18-V41 WeakPolarHBondContact O-CB 3.34Å; N18-V41 VanDerWaalsContact O-CG1 3.3Å; N18-V41 WeakPolarHBondContact O-CG1 3.3Å | ||
| 19 | V | 89.9 | Confident | 75.9 | Confident | 96 Ų | 96 | 89.3 Ų | 89.3 | 58% | 0.582 | 46% | 0.463 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | 129.7 | 168.1 | 178.7 | 0 | 0 | 0 | 0 | 109.4 | T42 | V19-T42 WeakPolarHBondContact CG1-O 3.37Š|
| 20 | G | 90.3 | Very high | 77.1 | Confident | 49 Ų | 49 | 87.1 Ų | 87.1 | 51% | 0.505 | 46% | 0.457 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 88.6 | 0.5 | -173.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | N18 D22 V41 | N18-G20 PolarHBondContact O-N 2.97Å; G20-D22 PolarHBondContact O-N 3.13Å; G20-V41 PolarHBondContact N-O 2.97Å |
| 21 | D | 89.6 | Confident | 78.7 | Confident | 40 Ų | 40 | 88.6 Ų | 88.6 | 21% | 0.214 | 45% | 0.45 | C | S | . | . | trans | -67.3 | 125.8 | 170.7 | -81.8 | -7.9 | 0 | 0 | 0 | 110.8 | Y17 N18 V23 V41 | Y17-D21 WeakPolarHBondContact CA-OD2 3.5Å; N18-D21 PolarHBondContact N-OD2 3.39Å; N18-D21 WeakPolarHBondContact O-CB 3.44Å; N18-D21 PolarHBondContact O-N 2.96Å; N18-D21 VanDerWaalsContact O-N 3.13Å; D21-V23 HydrophobicContact CB-CG1 4.39Å; D21-V41 HydrophobicContact CB-CB 4.48Å; D21-V41 HydrophobicContact CB-CG2 4.18Å; D21-V41 PolarHBondContact O-N 2.89Å; D21-V41 VanDerWaalsContact O-N 3.12Å | ||
| 22 | D | 91.8 | Very high | 80.5 | Confident | 31 Ų | 31 | 89.5 Ų | 89.5 | 17% | 0.166 | 47% | 0.467 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.7 | 128.4 | 164.6 | -89.1 | 12.8 | 0 | 0 | 0 | 110.2 | G20 R65 R71 | G20-D22 PolarHBondContact O-N 3.13Å; D22-R65 HydrophobicContact CB-CB 3.8Å; D22-R65 HydrophobicContact CB-CG 4.37Å; D22-R65 VanDerWaalsContact O-CB 3.23Å; D22-R65 WeakPolarHBondContact O-CB 3.32Å; D22-R65 PolarHBondContact O-N 3.42Å; D22-R65 WeakPolarHBondContact OD2-CD 3.34Å; D22-R65 IonicContact OD2-CZ 2.8Å; D22-R65 IonicContact OD2-NH1 2.7Å; D22-R65 PolarHBondContact OD2-NH1 2.78Å; D22-R71 IonicContact OD1-CZ 3.83Å; D22-R71 IonicContact OD1-NH1 2.69Å; D22-R71 PolarHBondContact OD1-NH1 2.81Å; D22-R71 IonicContact OD2-NH1 2.78Å; D22-R71 PolarHBondContact OD2-NH1 3.05Å |
| 23 | V | 92.9 | Very high | 82.3 | Confident | 0 Ų | 0 | 88.4 Ų | 88.4 | 0% | 0 | 46% | 0.462 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 149.8 | -177.9 | -66.5 | 0 | 0 | 0 | 0 | 114.5 | Y17 D21 I25 G39 V41 V52 I62 R63 | Y17-V23 HydrophobicContact CD1-CG1 3.69Å; Y17-V23 HydrophobicContact CE1-CG1 3.69Å; D21-V23 HydrophobicContact CB-CG1 4.39Å; V23-I25 HydrophobicContact CG2-CG1 4.43Å; V23-G39 VanDerWaalsContact CG2-O 3.29Å; V23-G39 WeakPolarHBondContact CG2-O 3.38Å; V23-G39 PolarHBondContact N-O 2.89Å; V23-G39 PolarHBondContact O-N 2.86Å; V23-V41 HydrophobicContact CG1-CG2 3.87Å; V23-V41 HydrophobicContact CG2-CG2 4.09Å; V23-V52 HydrophobicContact CG2-CG1 3.62Å; V23-V52 HydrophobicContact CG2-CG2 4.35Å; V23-I62 HydrophobicContact CB-CG2 3.58Å; V23-I62 HydrophobicContact CG1-CG2 3.62Å; V23-I62 HydrophobicContact CG2-CG2 3.88Å; V23-R63 CarbonylContact C-O 3.55Å; V23-R63 WeakPolarHBondContact CA-O 3.43Å; V23-R63 WeakPolarHBondContact CB-O 3.42Å |
| 24 | W | 93.7 | Very high | 84.3 | Confident | 93 Ų | 93 | 88.6 Ų | 88.6 | 35% | 0.352 | 47% | 0.465 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 119.5 | 168.2 | -70.1 | 120.1 | 0 | 0 | 0 | 110.2 | Y36 E37 E38 R63 R65 | W24-Y36 HydrophobicContact CB-CD1 4.3Å; W24-Y36 HydrophobicContact CB-CG 4.49Å; W24-E37 CarbonylContact C-O 3.58Å; W24-E37 WeakPolarHBondContact CA-O 3.44Å; W24-E38 HydrophobicContact CE3-CB 4.28Å; W24-E38 HydrophobicContact CZ3-CB 3.83Å; W24-E38 HydrophobicContact CZ3-CG 4.49Å; W24-R63 HydrophobicContact CB-CB 4.29Å; W24-R63 PolarHBondContact N-O 3.1Å; W24-R63 PolarHBondContact O-N 3.19Å; W24-R65 HydrophobicContact CZ2-CG 4.39Å |
| 25 | I | 92.3 | Very high | 85.8 | Confident | 0 Ų | 0 | 87.9 Ų | 87.9 | 0% | 0 | 46% | 0.463 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 132.9 | -177.2 | -53.4 | 170.6 | 0 | 0 | 0 | 110.3 | V23 Y36 E37 V52 R57 D61 | V23-I25 HydrophobicContact CG2-CG1 4.43Å; I25-Y36 CarbonylContact O-C 3.49Å; I25-Y36 WeakPolarHBondContact O-CA 3.38Å; I25-Y36 WeakPolarHBondContact O-CB 3.47Å; I25-Y36 WeakPolarHBondContact O-CD1 3.33Å; I25-E37 HydrophobicContact CB-CB 4.16Å; I25-E37 HydrophobicContact CD1-CG 4.35Å; I25-E37 PolarHBondContact N-O 3.28Å; I25-E37 PolarHBondContact O-N 3.48Å; I25-V52 HydrophobicContact CD1-CB 4.31Å; I25-V52 HydrophobicContact CD1-CG1 3.63Å; I25-V52 HydrophobicContact CG1-CG1 4.12Å; I25-R57 VanDerWaalsContact CG2-NH1 3.34Å; I25-D61 CarbonylContact C-O 3.58Å |
| 26 | R | 91.5 | Very high | 87.2 | Confident | 127 Ų | 127 | 88.8 Ų | 88.8 | 48% | 0.479 | 46% | 0.464 | S | S | . | . | P | Polyproline II helix | trans | -78.6 | 127.6 | 167.1 | 159.1 | 172.3 | -87.1 | -162.8 | -11.4 | 110 | Y36 D61 | R26-Y36 HydrophobicContact CB-CD1 4.13Å; R26-Y36 HydrophobicContact CB-CE1 3.79Å; R26-D61 HydrophobicContact CB-CB 4.08Å; R26-D61 WeakPolarHBondContact CB-O 3.46Å; R26-D61 VanDerWaalsContact CD-OD1 3.29Å; R26-D61 WeakPolarHBondContact CD-OD1 3.43Å; R26-D61 PolarHBondContact N-O 2.79Å |
| 27 | P | 88.8 | Confident | 87.6 | Confident | 35 Ų | 35 | 85.1 Ų | 85.1 | 23% | 0.227 | 46% | 0.455 | C | S | . | . | P | Polyproline II helix | trans | -66.9 | 137.9 | 171.2 | 26.7 | -33.3 | 0 | 0 | 0 | 110.9 | A29 G30 | P27-A29 VanDerWaalsContact C-N 3.28Å; P27-A29 PolarHBondContact O-N 2.83Å; P27-G30 PolarHBondContact O-N 2.89Å |
| 28 | P | 82.8 | Confident | 87.9 | Confident | 128 Ų | 128 | 89.4 Ų | 89.4 | 83% | 0.831 | 48% | 0.475 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.6 | -24 | -169.9 | 25.8 | -35.2 | 0 | 0 | 0 | 114.2 | ||
| 29 | A | 80.7 | Confident | 88.2 | Confident | 98 Ų | 98 | 85.1 Ų | 85.1 | 81% | 0.81 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.2 | 20.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113 | P27 R31 | P27-A29 VanDerWaalsContact C-N 3.28Å; P27-A29 PolarHBondContact O-N 2.83Å; A29-R31 PolarHBondContact O-N 2.94Å |
| 30 | G | 73.6 | Confident | 88.4 | Confident | 36 Ų | 36 | 83.2 Ų | 83.2 | 37% | 0.371 | 44% | 0.442 | S | S | . | . | trans | -61.2 | 123.5 | -172.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | P27 T34 | P27-G30 PolarHBondContact O-N 2.89Å; G30-T34 WeakPolarHBondContact CA-OG1 3.49Å | ||
| 31 | R | 82.7 | Confident | 88.5 | Confident | 201 Ų | 201 | 80.9 Ų | 80.9 | 76% | 0.758 | 42% | 0.418 | S | S | * | . | trans | -73.1 | 169.9 | 161.8 | -66.4 | -171.3 | 177.5 | -157.5 | 1 | 109.9 | A29 D33 T34 | A29-R31 PolarHBondContact O-N 2.94Å; R31-D33 PolarHBondContact O-N 2.9Å; R31-T34 HydrophobicContact CB-CG2 4.3Å; R31-T34 PolarHBondContact N-OG1 2.76Å; R31-T34 PolarHBondContact O-N 3.38Å; R31-T34 VanDerWaalsContact O-N 3.13Å; R31-T34 PolarHBondContact O-OG1 2.83Å | ||
| 32 | C | 81.7 | Confident | 88.7 | Confident | 136 Ų | 136 | 81.8 Ų | 81.8 | 92% | 0.919 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.4 | -29.9 | 178.6 | -60.7 | 0 | 0 | 0 | 0 | 113.6 | ||
| 33 | D | 86.4 | Confident | 88.6 | Confident | 144 Ų | 144 | 83.8 Ų | 83.8 | 77% | 0.77 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.4 | -3.3 | -172.7 | -32.6 | -74.2 | 0 | 0 | 0 | 113.3 | R31 | R31-D33 PolarHBondContact O-N 2.9Š|
| 34 | T | 87.8 | Confident | 88.4 | Confident | 62 Ų | 62 | 85.2 Ų | 85.2 | 38% | 0.38 | 44% | 0.444 | S | S | . | . | P | Polyproline II helix | trans | -75.7 | 129.8 | 179.6 | 57.9 | 0 | 0 | 0 | 0 | 111.1 | G30 R31 | G30-T34 WeakPolarHBondContact CA-OG1 3.49Å; R31-T34 HydrophobicContact CB-CG2 4.3Å; R31-T34 PolarHBondContact N-OG1 2.76Å; R31-T34 PolarHBondContact O-N 3.38Å; R31-T34 VanDerWaalsContact O-N 3.13Å; R31-T34 PolarHBondContact O-OG1 2.83Å |
| 35 | R | 89.8 | Confident | 88.1 | Confident | 232 Ų | 232 | 84.8 Ų | 84.8 | 88% | 0.875 | 45% | 0.448 | S | S | * | . | P | Polyproline II helix | trans | -64.1 | 158.1 | 173.1 | -63.1 | -178 | -179.4 | 179.9 | -0.4 | 111 | ||
| 36 | Y | 91 | Very high | 87.8 | Confident | 80 Ų | 80 | 87.7 Ų | 87.7 | 31% | 0.314 | 47% | 0.468 | S | S | . | . | P | Polyproline II helix | trans | -78.6 | 144.6 | 167.6 | -71.4 | -112.5 | 0 | 0 | 0 | 108.7 | W24 I25 R26 R63 | W24-Y36 HydrophobicContact CB-CD1 4.3Å; W24-Y36 HydrophobicContact CB-CG 4.49Å; I25-Y36 CarbonylContact O-C 3.49Å; I25-Y36 WeakPolarHBondContact O-CA 3.38Å; I25-Y36 WeakPolarHBondContact O-CB 3.47Å; I25-Y36 WeakPolarHBondContact O-CD1 3.33Å; R26-Y36 HydrophobicContact CB-CD1 4.13Å; R26-Y36 HydrophobicContact CB-CE1 3.79Å; Y36-R63 HydrophobicContact CE1-CG 4.36Å; Y36-R63 VanDerWaalsContact CE1-NE 3.35Å; Y36-R63 PolarHBondContact OH-NE 3.24Å; Y36-R63 VanDerWaalsContact OH-NE 3.13Å; Y36-R63 PolarHBondContact OH-NH2 3.25Å |
| 37 | E | 90.8 | Very high | 87.6 | Confident | 96 Ų | 96 | 85.1 Ų | 85.1 | 45% | 0.449 | 46% | 0.464 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 150 | 175.3 | 172 | 172.7 | -107.1 | 0 | 0 | 109.3 | W24 I25 R57 | W24-E37 CarbonylContact C-O 3.58Å; W24-E37 WeakPolarHBondContact CA-O 3.44Å; I25-E37 HydrophobicContact CB-CB 4.16Å; I25-E37 HydrophobicContact CD1-CG 4.35Å; I25-E37 PolarHBondContact N-O 3.28Å; I25-E37 PolarHBondContact O-N 3.48Å; E37-R57 IonicContact OE2-CZ 2.83Å; E37-R57 IonicContact OE2-NH1 3.81Å; E37-R57 IonicContact OE2-NH2 3.77Å; E37-R57 PolarHBondContact OE2-NH2 2.88Å |
| 38 | E | 92.5 | Very high | 87.6 | Confident | 98 Ų | 98 | 89.8 Ų | 89.8 | 46% | 0.458 | 48% | 0.483 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 141.8 | 176.4 | -177.3 | 168.6 | 155.6 | 0 | 0 | 109.6 | W24 R65 | W24-E38 HydrophobicContact CE3-CB 4.28Å; W24-E38 HydrophobicContact CZ3-CB 3.83Å; W24-E38 HydrophobicContact CZ3-CG 4.49Å; E38-R65 IonicContact OE1-CZ 3.51Å; E38-R65 IonicContact OE1-NH1 2.97Å; E38-R65 PolarHBondContact OE1-NH1 2.69Å; E38-R65 IonicContact OE1-NH2 3.12Å; E38-R65 PolarHBondContact OE1-NH2 3.21Å; E38-R65 IonicContact OE2-CZ 3.55Å; E38-R65 IonicContact OE2-NH1 2.65Å; E38-R65 IonicContact OE2-NH2 3.34Å; E38-R65 PolarHBondContact OE2-NH2 2.83Å |
| 39 | G | 92.5 | Very high | 88 | Confident | 5 Ų | 5 | 85.1 Ų | 85.1 | 5% | 0.052 | 46% | 0.456 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -163.4 | 169.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | V23 D53 | V23-G39 VanDerWaalsContact CG2-O 3.29Å; V23-G39 WeakPolarHBondContact CG2-O 3.38Å; V23-G39 PolarHBondContact N-O 2.89Å; V23-G39 PolarHBondContact O-N 2.86Å; G39-D53 WeakPolarHBondContact CA-OD2 3.4Å |
| 40 | T | 93.5 | Very high | 88.5 | Confident | 56 Ų | 56 | 80.7 Ų | 80.7 | 34% | 0.344 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 134.8 | -178.3 | -45.7 | 0 | 0 | 0 | 0 | 110.7 | T42 V52 D53 | T40-T42 PolarHBondContact O-N 3.12Å; T40-T42 VanDerWaalsContact O-N 3.15Å; T40-V52 WeakPolarHBondContact O-CA 3.36Å; T40-V52 WeakPolarHBondContact O-CG1 3.46Å; T40-D53 PolarHBondContact N-OD1 3.4Å; T40-D53 PolarHBondContact N-OD2 3.42Å; T40-D53 PolarHBondContact O-N 2.9Å |
| 41 | V | 92.7 | Very high | 89.4 | Confident | 1 Ų | 1 | 81 Ų | 81 | 1% | 0.006 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 112.1 | 175.7 | 175.3 | 0 | 0 | 0 | 0 | 110.2 | N18 G20 D21 V23 V44 V50 E51 V52 | N18-V41 WeakPolarHBondContact O-CB 3.34Å; N18-V41 VanDerWaalsContact O-CG1 3.3Å; N18-V41 WeakPolarHBondContact O-CG1 3.3Å; G20-V41 PolarHBondContact N-O 2.97Å; D21-V41 HydrophobicContact CB-CB 4.48Å; D21-V41 HydrophobicContact CB-CG2 4.18Å; D21-V41 PolarHBondContact O-N 2.89Å; D21-V41 VanDerWaalsContact O-N 3.12Å; V23-V41 HydrophobicContact CG1-CG2 3.87Å; V23-V41 HydrophobicContact CG2-CG2 4.09Å; V41-V44 HydrophobicContact CG1-CG2 4.39Å; V41-V50 HydrophobicContact CB-CG1 4.2Å; V41-V50 HydrophobicContact CG1-CG1 3.39Å; V41-V50 HydrophobicContact CG2-CG1 3.82Å; V41-E51 CarbonylContact C-O 3.59Å; V41-E51 WeakPolarHBondContact CA-O 3.47Å; V41-V52 HydrophobicContact CG2-CG2 4.41Å |
| 42 | T | 93.1 | Very high | 89.9 | Confident | 58 Ų | 58 | 71.5 Ų | 71.5 | 36% | 0.356 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | -35 | 178.9 | 49.5 | 0 | 0 | 0 | 0 | 112.2 | V19 T40 E51 G54 | V19-T42 WeakPolarHBondContact CG1-O 3.37Å; T40-T42 PolarHBondContact O-N 3.12Å; T40-T42 VanDerWaalsContact O-N 3.15Å; T42-E51 WeakPolarHBondContact CB-OE1 3.23Å; T42-E51 PolarHBondContact N-O 3.15Å; T42-E51 WeakPolarHBondContact OG1-CG 3.34Å; T42-E51 PolarHBondContact OG1-O 3.29Å; T42-E51 PolarHBondContact OG1-OE1 3.31Å; T42-G54 PolarHBondContact OG1-N 2.65Å |
| 43 | N | 89.7 | Confident | 90.4 | Very high | 74 Ų | 74 | 68.9 Ų | 68.9 | 40% | 0.396 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.3 | 155.7 | -176.4 | -163 | 4.9 | 0 | 0 | 0 | 111.6 | E51 | N43-E51 HydrophobicContact CB-CB 3.74Å; N43-E51 HydrophobicContact CB-CG 4.41Å; N43-E51 WeakPolarHBondContact CB-OE2 3.21Å; N43-E51 PolarHBondContact N-O 2.91Å; N43-E51 WeakPolarHBondContact O-CB 3.43Å; N43-E51 PolarHBondContact O-N 3.02Å |
| 44 | V | 89.3 | Confident | 90.6 | Very high | 30 Ų | 30 | 64.2 Ų | 64.2 | 18% | 0.182 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 109.2 | 174.7 | -179.3 | 0 | 0 | 0 | 0 | 108.8 | H15 Y17 V41 V50 | H15-V44 HydrophobicContact CB-CG1 4.16Å; Y17-V44 WeakPolarHBondContact O-CG2 3.39Å; V41-V44 HydrophobicContact CG1-CG2 4.39Å; V44-V50 HydrophobicContact CG1-CG2 4.39Å |
| 45 | L | 86.9 | Confident | 90.8 | Very high | 83 Ų | 83 | 65.5 Ų | 65.5 | 44% | 0.435 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | -33.8 | -175.5 | -51.2 | 172.9 | 0 | 0 | 0 | 111.7 | A49 E51 P56 | L45-A49 HydrophobicContact CB-CB 4.38Å; L45-A49 WeakPolarHBondContact CB-O 3.49Å; L45-A49 PolarHBondContact N-O 2.9Å; L45-A49 VanDerWaalsContact N-O 3.1Å; L45-E51 HydrophobicContact CD1-CB 4.28Å; L45-E51 HydrophobicContact CG-CB 4.27Å; L45-P56 HydrophobicContact CD1-CB 3.72Å; L45-P56 HydrophobicContact CD1-CG 3.91Å |
| 46 | S | 86.5 | Confident | 90.9 | Very high | 61 Ų | 61 | 58.6 Ų | 58.6 | 43% | 0.427 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -171.8 | 166.7 | 179.2 | -172.6 | 0 | 0 | 0 | 0 | 110.5 | Q48 A49 | S46-Q48 PolarHBondContact O-N 3.47Å; S46-A49 PolarHBondContact N-O 3.24Å; S46-A49 CarbonylContact O-C 3.44Å; S46-A49 PolarHBondContact O-N 3.47Å |
| 47 | D | 86.4 | Confident | 90.9 | Very high | 73 Ų | 73 | 57 Ų | 57 | 39% | 0.39 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | -16.7 | 174.1 | -65.4 | -30.5 | 0 | 0 | 0 | 115.3 | I13 H15 V59 | I13-D47 WeakPolarHBondContact CG2-OD1 3.11Å; H15-D47 IonicContact CE1-OD1 3.45Å; H15-D47 PolarHBondContact CE1-OD1 2.78Å; H15-D47 IonicContact CG-OD1 3.97Å; H15-D47 IonicContact ND1-OD1 2.78Å; H15-D47 PolarHBondContact ND1-OD1 3.45Å; D47-V59 WeakPolarHBondContact O-CG2 3.29Å |
| 48 | Q | 89.6 | Confident | 90.9 | Very high | 133 Ų | 133 | 55.5 Ų | 55.5 | 62% | 0.621 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.9 | -15.6 | 177.7 | -57.7 | -173.6 | 21.6 | 0 | 0 | 112.7 | S46 H58 V59 | S46-Q48 PolarHBondContact O-N 3.47Å; Q48-H58 CarbonylContact O-C 3.58Å; Q48-H58 WeakPolarHBondContact O-CA 3.29Å; Q48-H58 PolarHBondContact O-CD2 3.25Å; Q48-V59 PolarHBondContact O-N 2.85Å |
| 49 | A | 90.4 | Very high | 90.8 | Very high | 31 Ų | 31 | 51.9 Ų | 51.9 | 26% | 0.256 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 121.3 | -171.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | L45 S46 R57 | L45-A49 HydrophobicContact CB-CB 4.38Å; L45-A49 WeakPolarHBondContact CB-O 3.49Å; L45-A49 PolarHBondContact N-O 2.9Å; L45-A49 VanDerWaalsContact N-O 3.1Å; S46-A49 PolarHBondContact N-O 3.24Å; S46-A49 CarbonylContact O-C 3.44Å; S46-A49 PolarHBondContact O-N 3.47Å; A49-R57 WeakPolarHBondContact CA-O 3.01Å |
| 50 | V | 91.4 | Very high | 90.7 | Very high | 4 Ų | 4 | 61.6 Ų | 61.6 | 2% | 0.024 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 135.4 | -178.4 | 173 | 0 | 0 | 0 | 0 | 107.8 | Y17 V41 V44 V52 R57 V59 I62 | Y17-V50 HydrophobicContact CD2-CG2 4.17Å; V41-V50 HydrophobicContact CB-CG1 4.2Å; V41-V50 HydrophobicContact CG1-CG1 3.39Å; V41-V50 HydrophobicContact CG2-CG1 3.82Å; V44-V50 HydrophobicContact CG1-CG2 4.39Å; V50-V52 HydrophobicContact CG1-CG2 4.21Å; V50-R57 PolarHBondContact N-O 2.82Å; V50-R57 PolarHBondContact O-N 3.4Å; V50-V59 HydrophobicContact CB-CG2 4.44Å; V50-V59 HydrophobicContact CG2-CG2 3.64Å; V50-I62 HydrophobicContact CB-CD1 3.74Å; V50-I62 HydrophobicContact CG1-CD1 4.19Å |
| 51 | E | 93.6 | Very high | 90.5 | Very high | 44 Ų | 44 | 61.5 Ų | 61.5 | 21% | 0.206 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 126.1 | 176.8 | -156.9 | -167.3 | 102.9 | 0 | 0 | 108.7 | V41 T42 N43 L45 | V41-E51 CarbonylContact C-O 3.59Å; V41-E51 WeakPolarHBondContact CA-O 3.47Å; T42-E51 WeakPolarHBondContact CB-OE1 3.23Å; T42-E51 PolarHBondContact N-O 3.15Å; T42-E51 WeakPolarHBondContact OG1-CG 3.34Å; T42-E51 PolarHBondContact OG1-O 3.29Å; T42-E51 PolarHBondContact OG1-OE1 3.31Å; N43-E51 HydrophobicContact CB-CB 3.74Å; N43-E51 HydrophobicContact CB-CG 4.41Å; N43-E51 WeakPolarHBondContact CB-OE2 3.21Å; N43-E51 PolarHBondContact N-O 2.91Å; N43-E51 WeakPolarHBondContact O-CB 3.43Å; N43-E51 PolarHBondContact O-N 3.02Å; L45-E51 HydrophobicContact CD1-CB 4.28Å; L45-E51 HydrophobicContact CG-CB 4.27Å |
| 52 | V | 92.8 | Very high | 90.3 | Very high | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 119.3 | -177.7 | -166.7 | 0 | 0 | 0 | 0 | 107.4 | V23 I25 T40 V41 V50 G54 I55 I62 | V23-V52 HydrophobicContact CG2-CG1 3.62Å; V23-V52 HydrophobicContact CG2-CG2 4.35Å; I25-V52 HydrophobicContact CD1-CB 4.31Å; I25-V52 HydrophobicContact CD1-CG1 3.63Å; I25-V52 HydrophobicContact CG1-CG1 4.12Å; T40-V52 WeakPolarHBondContact O-CA 3.36Å; T40-V52 WeakPolarHBondContact O-CG1 3.46Å; V41-V52 HydrophobicContact CG2-CG2 4.41Å; V50-V52 HydrophobicContact CG1-CG2 4.21Å; V52-G54 PolarHBondContact O-N 2.87Å; V52-I55 PolarHBondContact N-O 3.41Å; V52-I55 WeakPolarHBondContact O-CB 3.4Å; V52-I55 PolarHBondContact O-N 2.83Å; V52-I62 HydrophobicContact CG2-CD1 3.69Å; V52-I62 HydrophobicContact CG2-CG1 4.31Å |
| 53 | D | 91.4 | Very high | 90.2 | Very high | 81 Ų | 81 | 65.5 Ų | 65.5 | 43% | 0.433 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.7 | 38.9 | -172.9 | -43.5 | -59 | 0 | 0 | 0 | 113.2 | G39 T40 I55 | G39-D53 WeakPolarHBondContact CA-OD2 3.4Å; T40-D53 PolarHBondContact N-OD1 3.4Å; T40-D53 PolarHBondContact N-OD2 3.42Å; T40-D53 PolarHBondContact O-N 2.9Å; D53-I55 VanDerWaalsContact C-N 3.3Å; D53-I55 PolarHBondContact O-N 3.18Å |
| 54 | G | 91.6 | Very high | 90.1 | Very high | 46 Ų | 46 | 68.7 Ų | 68.7 | 47% | 0.474 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81.5 | -2.3 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | T42 V52 | T42-G54 PolarHBondContact OG1-N 2.65Å; V52-G54 PolarHBondContact O-N 2.87Å |
| 55 | I | 91.3 | Very high | 89.9 | Confident | 89 Ų | 89 | 70 Ų | 70 | 46% | 0.456 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 119.2 | -178.3 | -57.3 | 178 | 0 | 0 | 0 | 110.1 | V52 D53 R57 | V52-I55 PolarHBondContact N-O 3.41Å; V52-I55 WeakPolarHBondContact O-CB 3.4Å; V52-I55 PolarHBondContact O-N 2.83Å; D53-I55 VanDerWaalsContact C-N 3.3Å; D53-I55 PolarHBondContact O-N 3.18Å; I55-R57 HydrophobicContact CG2-CG 4.07Å; I55-R57 PolarHBondContact O-N 2.9Å |
| 56 | P | 92 | Very high | 89.3 | Confident | 87 Ų | 87 | 72 Ų | 72 | 57% | 0.565 | 36% | 0.362 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -61.3 | 118.5 | 171.4 | -25.5 | 35.8 | 0 | 0 | 0 | 112.3 | L45 | L45-P56 HydrophobicContact CD1-CB 3.72Å; L45-P56 HydrophobicContact CD1-CG 3.91Å |
| 57 | R | 91.4 | Very high | 88.4 | Confident | 47 Ų | 47 | 72.7 Ų | 72.7 | 18% | 0.177 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 152.1 | 177.9 | -60.4 | -167.9 | -167.7 | -136.4 | 25.6 | 111.6 | I25 E37 A49 V50 I55 I62 | I25-R57 VanDerWaalsContact CG2-NH1 3.34Å; E37-R57 IonicContact OE2-CZ 2.83Å; E37-R57 IonicContact OE2-NH1 3.81Å; E37-R57 IonicContact OE2-NH2 3.77Å; E37-R57 PolarHBondContact OE2-NH2 2.88Å; A49-R57 WeakPolarHBondContact CA-O 3.01Å; V50-R57 PolarHBondContact N-O 2.82Å; V50-R57 PolarHBondContact O-N 3.4Å; I55-R57 HydrophobicContact CG2-CG 4.07Å; I55-R57 PolarHBondContact O-N 2.9Å; R57-I62 HydrophobicContact CB-CD1 4.23Å; R57-I62 HydrophobicContact CB-CG1 4.34Å |
| 58 | H | 91.3 | Very high | 87 | Confident | 64 Ų | 64 | 71.8 Ų | 71.8 | 30% | 0.296 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 140.7 | -175.7 | -175.8 | -98.6 | 0 | 0 | 0 | 111.7 | Q48 R60 D61 | Q48-H58 CarbonylContact O-C 3.58Å; Q48-H58 WeakPolarHBondContact O-CA 3.29Å; Q48-H58 PolarHBondContact O-CD2 3.25Å; H58-R60 PolarHBondContact ND1-N 3.09Å; H58-R60 PolarHBondContact O-N 3.33Å; H58-D61 PolarHBondContact O-N 2.83Å |
| 59 | V | 88.9 | Confident | 85.4 | Confident | 22 Ų | 22 | 70.2 Ų | 70.2 | 13% | 0.133 | 37% | 0.366 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -10.1 | -173.2 | 160.5 | 0 | 0 | 0 | 0 | 114.9 | Y17 D47 Q48 V50 | Y17-V59 HydrophobicContact CD2-CG2 4.33Å; Y17-V59 HydrophobicContact CE2-CG1 4.2Å; Y17-V59 HydrophobicContact CE2-CG2 4.39Å; D47-V59 WeakPolarHBondContact O-CG2 3.29Å; Q48-V59 PolarHBondContact O-N 2.85Å; V50-V59 HydrophobicContact CB-CG2 4.44Å; V50-V59 HydrophobicContact CG2-CG2 3.64Å |
| 60 | R | 90 | Very high | 83.8 | Confident | 210 Ų | 210 | 74.3 Ų | 74.3 | 79% | 0.792 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.9 | -23.8 | 171.5 | -67.9 | 178.4 | -172.6 | 164.5 | 1.6 | 114.4 | H58 | H58-R60 PolarHBondContact ND1-N 3.09Å; H58-R60 PolarHBondContact O-N 3.33Å |
| 61 | D | 89.4 | Confident | 82.1 | Confident | 53 Ų | 53 | 82.4 Ų | 82.4 | 28% | 0.283 | 41% | 0.413 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.8 | -11.6 | -179.8 | -59.4 | -62.4 | 0 | 0 | 0 | 111.4 | I25 R26 H58 | I25-D61 CarbonylContact C-O 3.58Å; R26-D61 HydrophobicContact CB-CB 4.08Å; R26-D61 WeakPolarHBondContact CB-O 3.46Å; R26-D61 VanDerWaalsContact CD-OD1 3.29Å; R26-D61 WeakPolarHBondContact CD-OD1 3.43Å; R26-D61 PolarHBondContact N-O 2.79Å; H58-D61 PolarHBondContact O-N 2.83Å |
| 62 | I | 90.3 | Very high | 80.2 | Confident | 5 Ų | 5 | 87 Ų | 87 | 3% | 0.026 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 138.7 | 174.7 | -52.4 | 170.6 | 0 | 0 | 0 | 109.5 | Y17 V23 V50 V52 R57 | Y17-I62 HydrophobicContact CD1-CG2 4.28Å; Y17-I62 HydrophobicContact CD2-CG2 4.42Å; Y17-I62 HydrophobicContact CE1-CG2 3.7Å; Y17-I62 HydrophobicContact CE2-CB 4.04Å; Y17-I62 HydrophobicContact CE2-CG2 3.86Å; Y17-I62 VanDerWaalsContact CZ-CG2 3.48Å; Y17-I62 PolarHBondContact OH-O 3.23Å; V23-I62 HydrophobicContact CB-CG2 3.58Å; V23-I62 HydrophobicContact CG1-CG2 3.62Å; V23-I62 HydrophobicContact CG2-CG2 3.88Å; V50-I62 HydrophobicContact CB-CD1 3.74Å; V50-I62 HydrophobicContact CG1-CD1 4.19Å; V52-I62 HydrophobicContact CG2-CD1 3.69Å; V52-I62 HydrophobicContact CG2-CG1 4.31Å; R57-I62 HydrophobicContact CB-CD1 4.23Å; R57-I62 HydrophobicContact CB-CG1 4.34Å |
| 63 | R | 90.6 | Very high | 78 | Confident | 138 Ų | 138 | 95.6 Ų | 95.6 | 52% | 0.521 | 47% | 0.472 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 139 | 167.7 | -60.5 | 173.4 | 178.4 | -89.2 | -2.7 | 109.2 | Y17 V23 W24 Y36 R65 | Y17-R63 WeakPolarHBondContact OH-CA 3.47Å; Y17-R63 PolarHBondContact OH-N 3.4Å; V23-R63 CarbonylContact C-O 3.55Å; V23-R63 WeakPolarHBondContact CA-O 3.43Å; V23-R63 WeakPolarHBondContact CB-O 3.42Å; W24-R63 HydrophobicContact CB-CB 4.29Å; W24-R63 PolarHBondContact N-O 3.1Å; W24-R63 PolarHBondContact O-N 3.19Å; Y36-R63 HydrophobicContact CE1-CG 4.36Å; Y36-R63 VanDerWaalsContact CE1-NE 3.35Å; Y36-R63 PolarHBondContact OH-NE 3.24Å; Y36-R63 VanDerWaalsContact OH-NE 3.13Å; Y36-R63 PolarHBondContact OH-NH2 3.25Å; R63-R65 PolarHBondContact O-N 2.78Å |
| 64 | R | 87 | Confident | 75.5 | Confident | 141 Ų | 141 | 95.2 Ų | 95.2 | 53% | 0.532 | 49% | 0.488 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.6 | 135.6 | 170.1 | -71.3 | -173.1 | 173.9 | -157.8 | -8.5 | 110.2 | R16 Y17 | R16-R64 VanDerWaalsContact O-CZ 3.25Å; R16-R64 PolarHBondContact O-NE 3.04Å; R16-R64 PolarHBondContact O-NH2 3.05Å; Y17-R64 HydrophobicContact CD1-CG 3.92Å; Y17-R64 HydrophobicContact CE1-CB 4.29Å; Y17-R64 HydrophobicContact CE1-CG 3.39Å; Y17-R64 PolarHBondContact OH-N 3.42Å |
| 65 | R | 84.2 | Confident | 73.1 | Confident | 58 Ų | 58 | 98.4 Ų | 98.4 | 22% | 0.219 | 50% | 0.498 | C | S | . | . | P | Polyproline II helix | trans | -78.2 | 136.9 | 163.6 | -162 | -174.9 | -165.7 | -179.2 | 13.4 | 107.9 | D22 W24 E38 R63 | D22-R65 HydrophobicContact CB-CB 3.8Å; D22-R65 HydrophobicContact CB-CG 4.37Å; D22-R65 VanDerWaalsContact O-CB 3.23Å; D22-R65 WeakPolarHBondContact O-CB 3.32Å; D22-R65 PolarHBondContact O-N 3.42Å; D22-R65 WeakPolarHBondContact OD2-CD 3.34Å; D22-R65 IonicContact OD2-CZ 2.8Å; D22-R65 IonicContact OD2-NH1 2.7Å; D22-R65 PolarHBondContact OD2-NH1 2.78Å; W24-R65 HydrophobicContact CZ2-CG 4.39Å; E38-R65 IonicContact OE1-CZ 3.51Å; E38-R65 IonicContact OE1-NH1 2.97Å; E38-R65 PolarHBondContact OE1-NH1 2.69Å; E38-R65 IonicContact OE1-NH2 3.12Å; E38-R65 PolarHBondContact OE1-NH2 3.21Å; E38-R65 IonicContact OE2-CZ 3.55Å; E38-R65 IonicContact OE2-NH1 2.65Å; E38-R65 IonicContact OE2-NH2 3.34Å; E38-R65 PolarHBondContact OE2-NH2 2.83Å; R63-R65 PolarHBondContact O-N 2.78Å |
| 66 | T | 75.7 | Confident | 70.3 | Confident | 124 Ų | 124 | 102 Ų | 102 | 76% | 0.761 | 52% | 0.518 | S | S | * | . | P | Polyproline II helix | trans | -69.1 | 127.4 | 160.9 | -52.2 | 0 | 0 | 0 | 0 | 106.7 | S68 | T66-S68 PolarHBondContact O-N 3.45Š|
| 67 | P | 67.2 | Low | 68 | Low | 76 Ų | 76 | 107 Ų | 107 | 49% | 0.494 | 53% | 0.531 | S | S | . | . | P | Polyproline II helix | trans | -58.3 | 126.5 | 176.8 | 24.3 | -33.4 | 0 | 0 | 0 | 109.1 | ||
| 68 | S | 57.3 | Low | 65.8 | Low | 54 Ų | 54 | 111.3 Ų | 111.3 | 38% | 0.378 | 56% | 0.562 | S | S | . | * | P | Polyproline II helix | trans | -64.2 | 133.3 | 173.9 | -150.1 | 0 | 0 | 0 | 0 | 108.1 | T66 D70 R71 | T66-S68 PolarHBondContact O-N 3.45Å; S68-D70 WeakPolarHBondContact CB-OD2 3.21Å; S68-D70 PolarHBondContact O-N 2.86Å; S68-D70 PolarHBondContact OG-OD2 3.44Å; S68-R71 PolarHBondContact O-N 2.97Å |
| 69 | P | 56.5 | Low | 63.7 | Low | 100 Ų | 100 | 116.4 Ų | 116.4 | 65% | 0.649 | 59% | 0.587 | S | S | * | * | G | 310 helix | trans | -56.1 | -28.4 | -178.4 | 22.8 | -33.7 | 0 | 0 | 0 | 112.3 | R71 Q72 K73 | P69-R71 VanDerWaalsContact C-N 3.35Å; P69-R71 PolarHBondContact O-N 3.44Å; P69-Q72 PolarHBondContact O-N 2.92Å; P69-K73 PolarHBondContact O-N 2.92Å |
| 70 | D | 56.1 | Low | 62.1 | Low | 117 Ų | 117 | 123 Ų | 123 | 63% | 0.626 | 62% | 0.621 | S | S | * | * | G | 310 helix | trans | -61.6 | -38.2 | 178.7 | -36.3 | -77.6 | 0 | 0 | 0 | 112.7 | S68 Q72 K73 | S68-D70 WeakPolarHBondContact CB-OD2 3.21Å; S68-D70 PolarHBondContact O-N 2.86Å; S68-D70 PolarHBondContact OG-OD2 3.44Å; D70-Q72 PolarHBondContact O-N 3.24Å; D70-K73 PolarHBondContact O-N 3.06Å |
| 71 | R | 55.8 | Low | 60.8 | Low | 174 Ų | 174 | 122 Ų | 122 | 66% | 0.657 | 63% | 0.625 | S | S | * | * | G | 310 helix | trans | -76.6 | -7.7 | -177.5 | -158.4 | 174.4 | 179.8 | -162.8 | -2.5 | 112.7 | D22 S68 P69 | D22-R71 IonicContact OD1-CZ 3.83Å; D22-R71 IonicContact OD1-NH1 2.69Å; D22-R71 PolarHBondContact OD1-NH1 2.81Å; D22-R71 IonicContact OD2-NH1 2.78Å; D22-R71 PolarHBondContact OD2-NH1 3.05Å; S68-R71 PolarHBondContact O-N 2.97Å; P69-R71 VanDerWaalsContact C-N 3.35Å; P69-R71 PolarHBondContact O-N 3.44Å |
| 72 | Q | 52.9 | Low | 59.7 | Low | 142 Ų | 142 | 125.8 Ų | 125.8 | 66% | 0.664 | 65% | 0.65 | S | S | * | * | G | 310 helix | trans | -111.9 | 9.5 | 172.2 | -68.8 | -169.4 | -39.8 | 0 | 0 | 113.3 | P69 D70 G74 | P69-Q72 PolarHBondContact O-N 2.92Å; D70-Q72 PolarHBondContact O-N 3.24Å; Q72-G74 PolarHBondContact O-N 2.94Å |
| 73 | K | 46.8 | Very low | 58.8 | Low | 180 Ų | 180 | 134.5 Ų | 134.5 | 78% | 0.783 | 69% | 0.691 | S | S | * | * | trans | -77.5 | 52.2 | -179.2 | -155.8 | 178.7 | -177.6 | 179.9 | 0 | 113.1 | P69 D70 | P69-K73 PolarHBondContact O-N 2.92Å; D70-K73 PolarHBondContact O-N 3.06Å | ||
| 74 | G | 39.2 | Very low | 58 | Low | 73 Ų | 73 | 136 Ų | 136 | 75% | 0.753 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -108.3 | 6.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | Q72 | Q72-G74 PolarHBondContact O-N 2.94Š|
| 75 | T | 41.2 | Very low | 57.5 | Low | 112 Ų | 112 | 134.2 Ų | 134.2 | 69% | 0.687 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -147.7 | 114.2 | 175.4 | 26.1 | 0 | 0 | 0 | 0 | 111.6 | K77 | T75-K77 PolarHBondContact O-N 2.76Š|
| 76 | N | 33.5 | Very low | 57.2 | Low | 166 Ų | 166 | 139.2 Ų | 139.2 | 89% | 0.888 | 74% | 0.741 | S | S | * | * | trans | 19.7 | 86.7 | 150.4 | -52.3 | -1 | 0 | 0 | 0 | 116.7 | ||||
| 77 | K | 43.4 | Very low | 57.3 | Low | 191 Ų | 191 | 140.4 Ų | 140.4 | 83% | 0.83 | 74% | 0.742 | S | S | * | * | trans | -116.5 | 120.8 | 149.9 | -74.8 | -163.6 | 173.6 | -170.1 | 0 | 108.5 | T75 | T75-K77 PolarHBondContact O-N 2.76Š| ||
| 78 | T | 44.6 | Very low | 58.1 | Low | 137 Ų | 137 | 143.5 Ų | 143.5 | 84% | 0.84 | 75% | 0.752 | S | S | * | * | trans | -57.7 | 154.4 | 175 | -36.4 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 79 | E | 46.4 | Very low | 59.2 | Low | 172 Ų | 172 | 152.4 Ų | 152.4 | 80% | 0.804 | 78% | 0.778 | S | S | * | * | S | Bend | trans | -66.7 | 177.3 | 163.4 | -70.2 | 134.5 | 176.3 | 0 | 0 | 110.7 | ||
| 80 | D | 55.8 | Low | 60.4 | Low | 160 Ų | 160 | 154.8 Ų | 154.8 | 86% | 0.856 | 78% | 0.782 | S | S | * | * | trans | 75.3 | 50.4 | 177.1 | -52.3 | -30.2 | 0 | 0 | 0 | 118.8 | ||||
| 81 | E | 62.3 | Low | 61.6 | Low | 188 Ų | 188 | 154.9 Ų | 154.9 | 88% | 0.879 | 79% | 0.789 | S | S | * | * | trans | -112.9 | 116.9 | 150.3 | -74.4 | -94.9 | 141.2 | 0 | 0 | 108.3 | E83 | E81-E83 PolarHBondContact O-N 3.47Š| ||
| 82 | V | 67 | Low | 62.6 | Low | 134 Ų | 134 | 153.4 Ų | 153.4 | 81% | 0.812 | 79% | 0.793 | S | S | * | * | trans | -76.6 | 118.7 | 179.5 | 177.8 | 0 | 0 | 0 | 0 | 109.3 | E84 | V82-E84 VanDerWaalsContact C-N 3.3Å; V82-E84 PolarHBondContact O-N 3.19Å | ||
| 83 | E | 71 | Confident | 63.5 | Low | 188 Ų | 188 | 157.9 Ų | 157.9 | 88% | 0.879 | 80% | 0.803 | S | S | * | * | trans | -68.3 | 83.3 | 175.5 | -66 | -169.6 | 169.3 | 0 | 0 | 111.3 | E81 | E81-E83 PolarHBondContact O-N 3.47Š| ||
| 84 | E | 74.3 | Confident | 64.3 | Low | 168 Ų | 168 | 155.9 Ų | 155.9 | 79% | 0.785 | 80% | 0.802 | S | S | * | * | trans | -60.1 | 124.2 | 170.1 | -73.2 | -157 | 141.9 | 0 | 0 | 109.9 | V82 L86 | V82-E84 VanDerWaalsContact C-N 3.3Å; V82-E84 PolarHBondContact O-N 3.19Å; E84-L86 PolarHBondContact O-N 3.36Å | ||
| 85 | P | 76 | Confident | 65.2 | Low | 104 Ų | 104 | 157.6 Ų | 157.6 | 68% | 0.675 | 80% | 0.802 | S | S | * | * | trans | -67 | 122.7 | -176 | 25.7 | -33.6 | 0 | 0 | 0 | 110.5 | L87 | P85-L87 VanDerWaalsContact C-N 3.33Å; P85-L87 PolarHBondContact O-N 3.13Å | ||
| 86 | L | 77.7 | Confident | 66 | Low | 164 Ų | 164 | 158.6 Ų | 158.6 | 86% | 0.859 | 80% | 0.803 | S | S | * | * | trans | -65.3 | 86.2 | 178 | -67.8 | 173.8 | 0 | 0 | 0 | 111.4 | E84 I88 | E84-L86 PolarHBondContact O-N 3.36Å; L86-I88 VanDerWaalsContact C-N 3.35Å; L86-I88 PolarHBondContact O-N 3.41Å | ||
| 87 | L | 79.3 | Confident | 66.9 | Low | 149 Ų | 149 | 156.7 Ų | 156.7 | 78% | 0.78 | 80% | 0.797 | S | S | * | * | trans | -72 | 81.9 | -178.4 | -70 | 178.7 | 0 | 0 | 0 | 112.1 | P85 R89 | P85-L87 VanDerWaalsContact C-N 3.33Å; P85-L87 PolarHBondContact O-N 3.13Å; L87-R89 PolarHBondContact O-N 3.28Å | ||
| 88 | I | 82 | Confident | 67.2 | Low | 140 Ų | 140 | 155.4 Ų | 155.4 | 72% | 0.718 | 80% | 0.799 | S | S | * | * | trans | -65.3 | 98 | 173.3 | -56.6 | 175.6 | 0 | 0 | 0 | 109.7 | L86 M90 | L86-I88 VanDerWaalsContact C-N 3.35Å; L86-I88 PolarHBondContact O-N 3.41Å; I88-M90 HydrophobicContact CG2-CG 4.3Å; I88-M90 HydrophobicContact CG2-SD 3.85Å; I88-M90 PolarHBondContact O-N 2.63Å | ||
| 89 | R | 82 | Confident | 67.4 | Low | 242 Ų | 242 | 152.5 Ų | 152.5 | 91% | 0.913 | 79% | 0.789 | S | S | * | * | trans | -69.4 | 91.1 | 173.1 | -76.2 | -175.2 | 174.2 | -112.5 | 1.6 | 111.1 | L87 | L87-R89 PolarHBondContact O-N 3.28Š| ||
| 90 | M | 81.2 | Confident | 67.4 | Low | 149 Ų | 149 | 154.3 Ų | 154.3 | 73% | 0.734 | 80% | 0.797 | S | S | * | * | trans | -72.4 | 130.9 | 167.4 | -60.7 | -61.8 | -81.2 | 0 | 0 | 109.6 | I88 I92 | I88-M90 HydrophobicContact CG2-CG 4.3Å; I88-M90 HydrophobicContact CG2-SD 3.85Å; I88-M90 PolarHBondContact O-N 2.63Å; M90-I92 PolarHBondContact O-N 2.82Å; M90-I92 VanDerWaalsContact O-N 3.11Å | ||
| 91 | P | 81.5 | Confident | 67.2 | Low | 120 Ų | 120 | 151.2 Ų | 151.2 | 78% | 0.779 | 79% | 0.788 | S | S | * | * | trans | -70.6 | 109.5 | 179.2 | 27.5 | -33.3 | 0 | 0 | 0 | 110.4 | R93 | P91-R93 PolarHBondContact O-N 2.65Š| ||
| 92 | I | 76.2 | Confident | 66.9 | Low | 142 Ų | 142 | 147.9 Ų | 147.9 | 73% | 0.728 | 78% | 0.783 | S | S | * | * | trans | -63.2 | 132.3 | 167.1 | -59.2 | 176.7 | 0 | 0 | 0 | 107.4 | M90 D94 | M90-I92 PolarHBondContact O-N 2.82Å; M90-I92 VanDerWaalsContact O-N 3.11Å; I92-D94 PolarHBondContact O-N 2.97Å | ||
| 93 | R | 71.4 | Confident | 66.6 | Low | 236 Ų | 236 | 145.4 Ų | 145.4 | 89% | 0.891 | 78% | 0.777 | S | S | * | * | trans | -85.2 | 94.8 | 168.4 | -73.6 | -176.1 | 176.4 | -179.9 | -0.8 | 108.1 | P91 S95 | P91-R93 PolarHBondContact O-N 2.65Å; R93-S95 PolarHBondContact O-N 2.7Å | ||
| 94 | D | 64.1 | Low | 66.2 | Low | 139 Ų | 139 | 142.4 Ų | 142.4 | 74% | 0.743 | 77% | 0.773 | S | S | * | * | trans | -60.2 | 107.4 | 172.3 | -62.7 | -38.5 | 0 | 0 | 0 | 109.2 | I92 N96 | I92-D94 PolarHBondContact O-N 2.97Å; D94-N96 PolarHBondContact O-N 3.21Å | ||
| 95 | S | 59.2 | Low | 65.6 | Low | 108 Ų | 108 | 143.2 Ų | 143.2 | 76% | 0.755 | 78% | 0.777 | S | S | * | * | trans | -76 | 79.3 | 178.9 | 55.6 | 0 | 0 | 0 | 0 | 109.3 | R93 V97 | R93-S95 PolarHBondContact O-N 2.7Å; S95-V97 PolarHBondContact O-N 2.79Å | ||
| 96 | N | 56.7 | Low | 65.1 | Low | 134 Ų | 134 | 146.2 Ų | 146.2 | 72% | 0.717 | 79% | 0.787 | S | S | * | * | trans | -61.7 | 101.3 | 179.9 | -174.6 | 5.7 | 0 | 0 | 0 | 110.8 | D94 N98 | D94-N96 PolarHBondContact O-N 3.21Å; N96-N98 VanDerWaalsContact C-N 3.26Å; N96-N98 PolarHBondContact O-N 2.75Å | ||
| 97 | V | 52.8 | Low | 64.3 | Low | 126 Ų | 126 | 150.1 Ų | 150.1 | 76% | 0.764 | 79% | 0.79 | S | S | * | * | S | Bend | trans | -73.1 | 77.6 | 172.7 | -83.8 | 0 | 0 | 0 | 0 | 110.2 | S95 | S95-V97 PolarHBondContact O-N 2.79Š|
| 98 | N | 49.9 | Very low | 63.3 | Low | 163 Ų | 163 | 154 Ų | 154 | 87% | 0.872 | 79% | 0.794 | S | S | * | * | S | Bend | trans | -179.4 | 51.3 | 148.2 | -89.8 | -22.7 | 0 | 0 | 0 | 112.1 | N96 | N96-N98 VanDerWaalsContact C-N 3.26Å; N96-N98 PolarHBondContact O-N 2.75Å |
| 99 | A | 49.3 | Very low | 62.5 | Low | 76 Ų | 76 | 152.3 Ų | 152.3 | 63% | 0.628 | 80% | 0.795 | S | S | * | * | trans | -139.5 | 112.4 | 166.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | S101 | A99-S101 PolarHBondContact O-N 2.94Š| ||
| 100 | E | 45.9 | Very low | 61.6 | Low | 210 Ų | 210 | 150 Ų | 150 | 98% | 0.981 | 79% | 0.792 | S | S | * | * | trans | -76.2 | 72.1 | 176.5 | -166 | 173 | 168.2 | 0 | 0 | 110.5 | ||||
| 101 | S | 51.7 | Low | 60.9 | Low | 95 Ų | 95 | 153.9 Ų | 153.9 | 66% | 0.664 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -98.7 | 128.8 | 173 | -171.9 | 0 | 0 | 0 | 0 | 108.8 | A99 A103 | A99-S101 PolarHBondContact O-N 2.94Å; S101-A103 PolarHBondContact O-N 2.88Å |
| 102 | P | 56.8 | Low | 59.9 | Low | 118 Ų | 118 | 154.8 Ų | 154.8 | 77% | 0.766 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 131.1 | -171.9 | 23.9 | -33.8 | 0 | 0 | 0 | 110.9 | ||
| 103 | A | 59 | Low | 59.2 | Low | 82 Ų | 82 | 159.1 Ų | 159.1 | 68% | 0.678 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -48.4 | 132.9 | -173.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | S101 Q105 | S101-A103 PolarHBondContact O-N 2.88Å; A103-Q105 PolarHBondContact O-N 2.8Å |
| 104 | P | 62.9 | Low | 58.5 | Low | 125 Ų | 125 | 156 Ų | 156 | 81% | 0.812 | 80% | 0.798 | S | S | * | * | trans | -61.7 | 104.6 | -173.1 | 24.7 | -34.1 | 0 | 0 | 0 | 109.3 | L106 | P104-L106 PolarHBondContact O-N 2.83Š| ||
| 105 | Q | 62.4 | Low | 58.2 | Low | 185 Ų | 185 | 158.1 Ų | 158.1 | 86% | 0.864 | 80% | 0.803 | S | S | * | * | trans | -57.6 | 110.5 | -174.2 | -67.4 | -172.8 | 7.6 | 0 | 0 | 108.9 | A103 R107 | A103-Q105 PolarHBondContact O-N 2.8Å; Q105-R107 PolarHBondContact O-N 2.95Å | ||
| 106 | L | 64.9 | Low | 57.7 | Low | 167 Ų | 167 | 164.4 Ų | 164.4 | 87% | 0.874 | 81% | 0.81 | S | S | * | * | trans | -50.5 | 113.5 | 175.2 | -82.2 | 167.1 | 0 | 0 | 0 | 107.5 | P104 R108 | P104-L106 PolarHBondContact O-N 2.83Å; L106-R108 PolarHBondContact O-N 3.23Å | ||
| 107 | R | 61.1 | Low | 57 | Low | 246 Ų | 246 | 161 Ų | 161 | 93% | 0.928 | 81% | 0.807 | S | S | * | * | trans | -74.6 | 56.4 | -174 | -164.6 | 176.4 | -179.6 | 167.6 | 0.9 | 110.6 | Q105 S109 | Q105-R107 PolarHBondContact O-N 2.95Å; R107-S109 PolarHBondContact O-N 3.06Å | ||
| 108 | R | 58.3 | Low | 56.7 | Low | 230 Ų | 230 | 161.7 Ų | 161.7 | 87% | 0.868 | 81% | 0.811 | S | S | * | * | trans | -62.6 | 99.8 | -179.4 | -163.9 | 179.5 | -163.3 | -171.1 | 5.8 | 106.9 | L106 K110 | L106-R108 PolarHBondContact O-N 3.23Å; R108-K110 PolarHBondContact O-N 3.11Å | ||
| 109 | S | 64.8 | Low | 56.4 | Low | 105 Ų | 105 | 158.6 Ų | 158.6 | 73% | 0.734 | 80% | 0.802 | S | S | * | * | trans | -60.5 | 106 | -176.5 | 44.7 | 0 | 0 | 0 | 0 | 109.1 | R107 R111 | R107-S109 PolarHBondContact O-N 3.06Å; S109-R111 PolarHBondContact O-N 3.31Å | ||
| 110 | K | 63.8 | Low | 56.1 | Low | 195 Ų | 195 | 163.2 Ų | 163.2 | 85% | 0.848 | 81% | 0.81 | S | S | * | * | trans | -69.5 | 57.2 | 168.4 | -74.8 | -173.4 | 175.5 | 179.9 | 0 | 110 | R108 I112 | R108-K110 PolarHBondContact O-N 3.11Å; K110-I112 PolarHBondContact O-N 2.93Å | ||
| 111 | R | 65.6 | Low | 56 | Low | 230 Ų | 230 | 161.2 Ų | 161.2 | 87% | 0.868 | 80% | 0.801 | S | S | * | * | trans | -75.3 | 72.9 | 167.1 | -165.8 | 177.8 | -166.5 | 177.4 | 6 | 107.7 | S109 R113 | S109-R111 PolarHBondContact O-N 3.31Å; R111-R113 PolarHBondContact O-N 3.47Å | ||
| 112 | I | 62.1 | Low | 55.7 | Low | 138 Ų | 138 | 161 Ų | 161 | 71% | 0.708 | 81% | 0.805 | S | S | * | * | trans | -53.6 | 111.3 | 165.7 | -64.4 | 174.1 | 0 | 0 | 0 | 105.5 | K110 Q114 | K110-I112 PolarHBondContact O-N 2.93Å; I112-Q114 PolarHBondContact O-N 2.94Å | ||
| 113 | R | 61.8 | Low | 55.4 | Low | 233 Ų | 233 | 163.5 Ų | 163.5 | 88% | 0.879 | 80% | 0.804 | S | S | * | * | trans | -70.3 | 90.5 | 171.4 | -174.1 | -179.1 | -169.3 | 174.1 | 3 | 105.3 | R111 Q115 | R111-R113 PolarHBondContact O-N 3.47Å; R113-Q115 PolarHBondContact O-N 2.92Å | ||
| 114 | Q | 56.8 | Low | 54.6 | Low | 172 Ų | 172 | 168 Ų | 168 | 80% | 0.804 | 81% | 0.809 | S | S | * | * | trans | -49.2 | 112.1 | 166.4 | -76.6 | -178.1 | -18.2 | 0 | 0 | 106.3 | I112 R116 | I112-Q114 PolarHBondContact O-N 2.94Å; Q114-R116 PolarHBondContact O-N 2.75Å | ||
| 115 | Q | 56 | Low | 54.3 | Low | 183 Ų | 183 | 167.8 Ų | 167.8 | 86% | 0.855 | 81% | 0.805 | S | S | * | * | trans | -54.9 | 126.8 | 157.2 | -72.5 | 175.1 | -34.2 | 0 | 0 | 104.5 | R113 G117 | R113-Q115 PolarHBondContact O-N 2.92Å; Q115-G117 PolarHBondContact O-N 2.96Å | ||
| 116 | R | 48.6 | Very low | 54 | Low | 240 Ų | 240 | 165.9 Ų | 165.9 | 91% | 0.906 | 80% | 0.801 | S | S | * | * | trans | -57.9 | 115.8 | 169.4 | -73.9 | -178.3 | 175.9 | 173.8 | -2.3 | 105 | Q114 V118 | Q114-R116 PolarHBondContact O-N 2.75Å; R116-V118 PolarHBondContact O-N 2.85Å | ||
| 117 | G | 42.8 | Very low | 53.4 | Low | 62 Ų | 62 | 167.1 Ų | 167.1 | 64% | 0.639 | 80% | 0.799 | S | S | * | * | trans | -53.2 | 131.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 107.6 | Q115 S119 | Q115-G117 PolarHBondContact O-N 2.96Å; G117-S119 PolarHBondContact O-N 2.88Å | ||
| 118 | V | 47.3 | Very low | 53.3 | Low | 141 Ų | 141 | 159.4 Ų | 159.4 | 86% | 0.855 | 79% | 0.788 | S | S | * | * | trans | -75.5 | 71.9 | 167.9 | -175.8 | 0 | 0 | 0 | 0 | 106.1 | R116 E120 | R116-V118 PolarHBondContact O-N 2.85Å; V118-E120 PolarHBondContact O-N 2.9Å | ||
| 119 | S | 43.8 | Very low | 53.3 | Low | 97 Ų | 97 | 154.2 Ų | 154.2 | 68% | 0.678 | 78% | 0.784 | S | S | * | * | trans | -69.5 | 115.2 | 159.1 | 54.7 | 0 | 0 | 0 | 0 | 106.4 | G117 | G117-S119 PolarHBondContact O-N 2.88Š| ||
| 120 | E | 42.9 | Very low | 53 | Low | 173 Ų | 173 | 160.2 Ų | 160.2 | 81% | 0.808 | 79% | 0.79 | S | S | * | * | S | Bend | trans | -56.6 | 174.7 | 158.1 | -64.7 | 174.7 | 103 | 0 | 0 | 110 | V118 | V118-E120 PolarHBondContact O-N 2.9Š|
| 121 | E | 43.4 | Very low | 52.5 | Low | 169 Ų | 169 | 156.4 Ų | 156.4 | 79% | 0.79 | 79% | 0.786 | S | S | * | * | trans | 70.7 | 21.3 | -174.5 | -52 | -154.7 | 95.3 | 0 | 0 | 117.7 | K123 | E121-K123 PolarHBondContact O-N 3.24Š| ||
| 122 | A | 45.5 | Very low | 51.5 | Low | 91 Ų | 91 | 151.5 Ų | 151.5 | 75% | 0.752 | 79% | 0.786 | S | S | * | * | trans | -68.8 | 80.2 | 158.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | F124 | A122-F124 PolarHBondContact O-N 2.97Å; A122-F124 VanDerWaalsContact O-N 3.09Å | ||
| 123 | K | 50.1 | Low | 51.3 | Low | 170 Ų | 170 | 150.2 Ų | 150.2 | 74% | 0.739 | 78% | 0.784 | S | S | * | * | trans | -51.7 | 115.3 | -177 | -75.4 | 175.6 | 179.7 | 169.7 | 0 | 111.3 | E121 T125 | E121-K123 PolarHBondContact O-N 3.24Å; K123-T125 VanDerWaalsContact C-N 3.33Å; K123-T125 PolarHBondContact O-N 2.84Å | ||
| 124 | F | 42 | Very low | 50.6 | Low | 176 Ų | 176 | 142.3 Ų | 142.3 | 77% | 0.772 | 78% | 0.775 | S | S | * | * | trans | -71.5 | 80.7 | -169.6 | -167.9 | -99.7 | 0 | 0 | 0 | 112 | A122 N126 | A122-F124 PolarHBondContact O-N 2.97Å; A122-F124 VanDerWaalsContact O-N 3.09Å; F124-N126 WeakPolarHBondContact CE1-OD1 3.17Å; F124-N126 PolarHBondContact O-N 3.25Å | ||
| 125 | T | 56.8 | Low | 50.9 | Low | 120 Ų | 120 | 143.8 Ų | 143.8 | 74% | 0.736 | 77% | 0.774 | S | S | * | * | trans | -75.8 | 121.2 | 169.8 | 53.7 | 0 | 0 | 0 | 0 | 109.3 | K123 K127 | K123-T125 VanDerWaalsContact C-N 3.33Å; K123-T125 PolarHBondContact O-N 2.84Å; T125-K127 PolarHBondContact O-N 3.13Å | ||
| 126 | N | 55.8 | Low | 50.6 | Low | 146 Ų | 146 | 142.5 Ų | 142.5 | 78% | 0.781 | 77% | 0.772 | S | S | * | * | trans | -70.2 | 69.5 | -176.7 | -78.3 | -64 | 0 | 0 | 0 | 112.5 | F124 | F124-N126 WeakPolarHBondContact CE1-OD1 3.17Å; F124-N126 PolarHBondContact O-N 3.25Å | ||
| 127 | K | 52.5 | Low | 50.8 | Low | 193 Ų | 193 | 137.3 Ų | 137.3 | 84% | 0.839 | 77% | 0.767 | S | S | * | * | trans | -98 | 96.2 | 171.9 | -160.8 | 159.8 | -167.6 | 165.6 | 0 | 108.7 | T125 | T125-K127 PolarHBondContact O-N 3.13Š| ||
| 128 | A | 59.3 | Low | 51.5 | Low | 83 Ų | 83 | 139.9 Ų | 139.9 | 69% | 0.686 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -50.2 | 139.9 | -174.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | R130 | A128-R130 PolarHBondContact O-N 3.49Š|
| 129 | P | 57.8 | Low | 51.8 | Low | 121 Ų | 121 | 141.1 Ų | 141.1 | 79% | 0.786 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 135 | 171.9 | 27.1 | -33.8 | 0 | 0 | 0 | 108.8 | ||
| 130 | R | 58.6 | Low | 52.6 | Low | 231 Ų | 231 | 145 Ų | 145 | 87% | 0.872 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 130.9 | 173.5 | -68.1 | -175.1 | 176.6 | -157.8 | -1.3 | 108.1 | A128 C132 | A128-R130 PolarHBondContact O-N 3.49Å; R130-C132 PolarHBondContact O-N 2.92Å |
| 131 | P | 52.8 | Low | 53 | Low | 115 Ų | 115 | 144.5 Ų | 144.5 | 75% | 0.747 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 131.8 | 175.8 | 26 | -33.4 | 0 | 0 | 0 | 109.1 | V133 | P131-V133 PolarHBondContact O-N 3.04Š|
| 132 | C | 44.8 | Very low | 53.7 | Low | 128 Ų | 128 | 141.7 Ų | 141.7 | 87% | 0.865 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 116 | 166.2 | -63.8 | 0 | 0 | 0 | 0 | 107 | R130 G134 | R130-C132 PolarHBondContact O-N 2.92Å; C132-G134 PolarHBondContact O-N 3.35Å |
| 133 | V | 58.2 | Low | 54.5 | Low | 110 Ų | 110 | 139.7 Ų | 139.7 | 67% | 0.667 | 75% | 0.751 | S | S | * | * | trans | -74.1 | 84.6 | 175.1 | -176.7 | 0 | 0 | 0 | 0 | 108.3 | P131 Y135 | P131-V133 PolarHBondContact O-N 3.04Å; V133-Y135 HydrophobicContact CG1-CD2 4.35Å; V133-Y135 HydrophobicContact CG1-CE2 3.85Å | ||
| 134 | G | 46.8 | Very low | 54.7 | Low | 67 Ų | 67 | 137.5 Ų | 137.5 | 69% | 0.691 | 75% | 0.754 | S | S | * | * | trans | -79.3 | 118 | 168.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | C132 | C132-G134 PolarHBondContact O-N 3.35Š| ||
| 135 | Y | 62.8 | Low | 55.2 | Low | 204 Ų | 204 | 134.3 Ų | 134.3 | 80% | 0.8 | 75% | 0.749 | S | S | * | * | trans | -77.7 | 122.9 | 169.9 | -73.2 | -89.8 | 0 | 0 | 0 | 109.2 | V133 V137 | V133-Y135 HydrophobicContact CG1-CD2 4.35Å; V133-Y135 HydrophobicContact CG1-CE2 3.85Å; Y135-V137 PolarHBondContact O-N 2.88Å | ||
| 136 | L | 50.7 | Low | 54.8 | Low | 155 Ų | 155 | 134.7 Ų | 134.7 | 81% | 0.812 | 75% | 0.751 | S | S | * | * | trans | -86.8 | 103.6 | 177.3 | -149.7 | 151 | 0 | 0 | 0 | 107.6 | V138 | L136-V138 HydrophobicContact CD2-CG2 4.28Å; L136-V138 PolarHBondContact O-N 2.98Å | ||
| 137 | V | 52.9 | Low | 54 | Low | 132 Ų | 132 | 137 Ų | 137 | 80% | 0.8 | 75% | 0.754 | S | S | * | * | trans | -71.3 | 109.3 | 174.5 | 179.3 | 0 | 0 | 0 | 0 | 107.6 | Y135 E139 | Y135-V137 PolarHBondContact O-N 2.88Å; V137-E139 PolarHBondContact O-N 2.94Å | ||
| 138 | V | 56.6 | Low | 53.8 | Low | 116 Ų | 116 | 136.1 Ų | 136.1 | 70% | 0.703 | 75% | 0.753 | S | S | * | * | trans | -82.5 | 112.8 | 172.4 | 178.8 | 0 | 0 | 0 | 0 | 107.9 | L136 K140 | L136-V138 HydrophobicContact CD2-CG2 4.28Å; L136-V138 PolarHBondContact O-N 2.98Å; V138-K140 PolarHBondContact O-N 2.84Å | ||
| 139 | E | 54.9 | Low | 53 | Low | 167 Ų | 167 | 139 Ų | 139 | 78% | 0.78 | 76% | 0.757 | S | S | * | * | trans | -66.6 | 94.1 | 174.8 | -173.8 | 173.9 | -151.2 | 0 | 0 | 109.7 | V137 Q141 | V137-E139 PolarHBondContact O-N 2.94Å; E139-Q141 PolarHBondContact O-N 3.31Å | ||
| 140 | K | 59.5 | Low | 52.7 | Low | 178 Ų | 178 | 141.3 Ų | 141.3 | 77% | 0.774 | 76% | 0.761 | S | S | * | * | trans | -76.2 | 96.7 | 176.7 | -173 | -178.3 | 179.4 | -173.7 | 0 | 109 | V138 V142 | V138-K140 PolarHBondContact O-N 2.84Å; K140-V142 PolarHBondContact O-N 2.84Å | ||
| 141 | Q | 51.5 | Low | 52.1 | Low | 163 Ų | 163 | 137.2 Ų | 137.2 | 76% | 0.762 | 76% | 0.756 | S | S | * | * | trans | -50.9 | 106.1 | 166.4 | -76.3 | -74.5 | -3.9 | 0 | 0 | 110.2 | E139 | E139-Q141 PolarHBondContact O-N 3.31Š| ||
| 142 | V | 57.4 | Low | 52.1 | Low | 110 Ų | 110 | 142.9 Ų | 142.9 | 67% | 0.667 | 76% | 0.764 | S | S | * | * | trans | -95.8 | 100.5 | 170.2 | -179.6 | 0 | 0 | 0 | 0 | 107.1 | K140 | K140-V142 PolarHBondContact O-N 2.84Š| ||
| 143 | G | 62.3 | Low | 52.2 | Low | 48 Ų | 48 | 140.2 Ų | 140.2 | 50% | 0.495 | 76% | 0.758 | S | S | . | * | trans | -62.3 | 162.1 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | V145 | G143-V145 PolarHBondContact O-N 2.91Š| ||
| 144 | P | 54.1 | Low | 52 | Low | 125 Ų | 125 | 139.9 Ų | 139.9 | 81% | 0.812 | 77% | 0.766 | S | S | * | * | trans | -62 | 123.2 | -175.1 | 25.9 | -34.5 | 0 | 0 | 0 | 111.2 | V146 | P144-V146 PolarHBondContact O-N 2.69Š| ||
| 145 | V | 54 | Low | 52 | Low | 109 Ų | 109 | 144 Ų | 144 | 66% | 0.661 | 78% | 0.778 | S | S | * | * | trans | -79.8 | 98.5 | 172.4 | -172.6 | 0 | 0 | 0 | 0 | 107.8 | G143 F147 | G143-V145 PolarHBondContact O-N 2.91Å; V145-F147 HydrophobicContact CG1-CD2 4.2Å; V145-F147 HydrophobicContact CG1-CE2 4.1Å; V145-F147 PolarHBondContact O-N 2.93Å | ||
| 146 | V | 47.7 | Very low | 51.1 | Low | 128 Ų | 128 | 138.3 Ų | 138.3 | 78% | 0.776 | 77% | 0.773 | S | S | * | * | trans | -68.1 | 122.4 | 168.2 | -71.3 | 0 | 0 | 0 | 0 | 109 | P144 | P144-V146 PolarHBondContact O-N 2.69Š| ||
| 147 | F | 38.3 | Very low | 50.7 | Low | 194 Ų | 194 | 138.9 Ų | 138.9 | 85% | 0.851 | 78% | 0.776 | S | S | * | * | trans | -92.9 | 102.3 | 176.3 | -95.8 | -97 | 0 | 0 | 0 | 109.4 | V145 | V145-F147 HydrophobicContact CG1-CD2 4.2Å; V145-F147 HydrophobicContact CG1-CE2 4.1Å; V145-F147 PolarHBondContact O-N 2.93Å | ||
| 148 | E | 48.4 | Very low | 50.5 | Low | 175 Ų | 175 | 138.5 Ų | 138.5 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | trans | -127.4 | 145.5 | 161.2 | -70.3 | -170.6 | 140.5 | 0 | 0 | 109.7 | ||||
| 149 | D | 43.7 | Very low | 50.1 | Low | 142 Ų | 142 | 137 Ų | 137 | 76% | 0.759 | 77% | 0.774 | S | S | * | * | trans | 48.2 | 86.5 | 158.4 | -63.7 | -2.6 | 0 | 0 | 0 | 120.7 | ||||
| 150 | I | 51.3 | Low | 49.9 | Very low | 171 Ų | 171 | 137.1 Ų | 137.1 | 88% | 0.877 | 78% | 0.779 | S | S | * | * | trans | -131.6 | 95.7 | 134.3 | -55.1 | -178 | 0 | 0 | 0 | 109.9 | ||||
| 151 | L | 45.4 | Very low | 49.7 | Very low | 144 Ų | 144 | 132.7 Ų | 132.7 | 75% | 0.754 | 78% | 0.776 | S | S | * | * | trans | -70.5 | 137.4 | 154 | -85.7 | 71.1 | 0 | 0 | 0 | 108.9 | ||||
| 152 | Y | 53.6 | Low | 49.7 | Very low | 235 Ų | 235 | 132.9 Ų | 132.9 | 92% | 0.922 | 78% | 0.782 | S | S | * | * | trans | 177.4 | 135.4 | 135.4 | -107.3 | -72.2 | 0 | 0 | 0 | 111.9 | ||||
| 153 | G | 47 | Very low | 49.5 | Very low | 72 Ų | 72 | 130.2 Ų | 130.2 | 74% | 0.742 | 78% | 0.777 | S | S | * | * | trans | 74.7 | 95.5 | 167.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 154 | A | 52.3 | Low | 49.2 | Very low | 102 Ų | 102 | 135.6 Ų | 135.6 | 84% | 0.843 | 80% | 0.795 | S | S | * | * | cis | 78.7 | 92.8 | 44 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 155 | V | 47.8 | Very low | 48.9 | Very low | 154 Ų | 154 | 137.9 Ų | 137.9 | 93% | 0.933 | 80% | 0.799 | S | S | * | * | trans | -145 | 145.6 | 146.3 | 179.9 | 0 | 0 | 0 | 0 | 107 | ||||
| 156 | A | 43.7 | Very low | 48.7 | Very low | 85 Ų | 85 | 144.4 Ų | 144.4 | 70% | 0.702 | 81% | 0.812 | S | S | * | * | trans | -141 | 140.9 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 157 | L | 43.4 | Very low | 49.4 | Very low | 166 Ų | 166 | 146.2 Ų | 146.2 | 87% | 0.869 | 81% | 0.812 | S | S | * | * | trans | -172.6 | 115.3 | 163.1 | -111.4 | 136.3 | 0 | 0 | 0 | 106.4 | ||||
| 158 | V | 47.7 | Very low | 50.2 | Low | 124 Ų | 124 | 142.3 Ų | 142.3 | 75% | 0.752 | 81% | 0.806 | S | S | * | * | cis | 92.9 | 93.7 | 41.2 | 179.4 | 0 | 0 | 0 | 0 | 114 | ||||
| 159 | A | 48.8 | Very low | 50.8 | Low | 86 Ų | 86 | 144.2 Ų | 144.2 | 71% | 0.711 | 83% | 0.829 | S | S | * | * | trans | -164.2 | 123.8 | 145.4 | 0 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 160 | L | 50.4 | Low | 51.2 | Low | 168 Ų | 168 | 144.3 Ų | 144.3 | 88% | 0.88 | 83% | 0.832 | S | S | * | * | 55.3 | 120 | 70.8 | -63.7 | 171.7 | 0 | 0 | 0 | 112.3 | |||||
| 161 | A | 54.6 | Low | 51.2 | Low | 86 Ų | 86 | 142.9 Ų | 142.9 | 71% | 0.711 | 83% | 0.83 | S | S | * | * | cis | -155.4 | 173.3 | -6.9 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 162 | D | 52 | Low | 51.5 | Low | 166 Ų | 166 | 142.8 Ų | 142.8 | 89% | 0.888 | 83% | 0.834 | S | S | * | * | cis | -149.4 | -165 | 6.1 | -135 | -34.1 | 0 | 0 | 0 | 106.9 | ||||
| 163 | G | 53.9 | Low | 51.4 | Low | 55 Ų | 55 | 137.4 Ų | 137.4 | 57% | 0.567 | 83% | 0.829 | S | S | * | * | cis | 169.7 | 174 | 1.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 164 | N | 54.2 | Low | 51.6 | Low | 161 Ų | 161 | 141.5 Ų | 141.5 | 86% | 0.861 | 83% | 0.834 | S | S | * | * | trans | 31.9 | 101.6 | 169.8 | -75.2 | -26.2 | 0 | 0 | 0 | 120 | ||||
| 165 | L | 49.3 | Very low | 51.6 | Low | 173 Ų | 173 | 144.1 Ų | 144.1 | 91% | 0.906 | 83% | 0.834 | S | S | * | * | -176.4 | 141.5 | 101.5 | -96.4 | 162.5 | 0 | 0 | 0 | 110.8 | |||||
| 166 | R | 49.4 | Very low | 51.9 | Low | 245 Ų | 245 | 143.4 Ų | 143.4 | 93% | 0.925 | 83% | 0.827 | S | S | * | * | trans | -145.4 | 119.1 | 174.4 | -167.1 | 175.6 | -177 | 177.8 | 1.6 | 110.7 | ||||
| 167 | E | 63.3 | Low | 52.5 | Low | 167 Ų | 167 | 147.9 Ų | 147.9 | 78% | 0.78 | 84% | 0.836 | S | S | * | * | trans | -94.7 | 169 | 176.6 | -90.5 | -85.3 | 127.1 | 0 | 0 | 109.9 | ||||
| 168 | P | 54.2 | Low | 53.2 | Low | 111 Ų | 111 | 146.4 Ų | 146.4 | 72% | 0.721 | 83% | 0.834 | S | S | * | * | -94 | -171.2 | -126.6 | -12.4 | 31.7 | 0 | 0 | 0 | 117.7 | |||||
| 169 | V | 61.3 | Low | 53.7 | Low | 215 Ų | 215 | 148.5 Ų | 148.5 | 100% | 1.303 | 84% | 0.841 | S | S | * | * | trans | -82.4 | 0 | 165.4 | -179.8 | 0 | 0 | 0 | 0 | 110 |
Retrieved 169 of 169 residues in 68 ms
(Link to these results)