| 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 | 67.8 | Low | 70.9 | Confident | 199 Ų | 199 | 112.2 Ų | 112.2 | 98% | 0.98 | 62% | 0.623 | S | S | * | * | 0 | -72 | 0 | -64.1 | -163.9 | 97.3 | 0 | 0 | 111 | D4 A5 | M1-D4 WeakPolarHBondContact CA-OD2 2.88Å; M1-D4 PolarHBondContact N-OD2 3.21Å; M1-D4 PolarHBondContact O-N 2.85Å; M1-A5 PolarHBondContact O-N 3.31Å; M1-A5 VanDerWaalsContact O-N 3.13Å | |||
| 2 | W | 74.8 | Confident | 70.1 | Confident | 179 Ų | 179 | 111.6 Ų | 111.6 | 68% | 0.678 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -65 | -44.5 | 178.5 | -165.5 | -6.4 | 0 | 0 | 0 | 112.5 | D4 A5 V6 L58 | W2-D4 PolarHBondContact O-N 3.28Å; W2-A5 PolarHBondContact O-N 2.82Å; W2-A5 VanDerWaalsContact O-N 3.1Å; W2-V6 VanDerWaalsContact NE1-CG2 3.32Å; W2-V6 PolarHBondContact O-N 3.45Å; W2-L58 HydrophobicContact CH2-CD2 3.85Å; W2-L58 HydrophobicContact CZ2-CD2 3.77Å |
| 3 | G | 78.7 | Confident | 69.4 | Low | 57 Ų | 57 | 107.1 Ų | 107.1 | 59% | 0.588 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -55.7 | -37.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114 | S7 | G3-S7 WeakPolarHBondContact O-CB 3.38Å; G3-S7 PolarHBondContact O-N 3.34Å |
| 4 | D | 77.1 | Confident | 69.8 | Low | 116 Ų | 116 | 103.2 Ų | 103.2 | 62% | 0.62 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -69.7 | -42.5 | 177.7 | -47 | -55.2 | 0 | 0 | 0 | 111.2 | M1 W2 S7 E8 | M1-D4 WeakPolarHBondContact CA-OD2 2.88Å; M1-D4 PolarHBondContact N-OD2 3.21Å; M1-D4 PolarHBondContact O-N 2.85Å; W2-D4 PolarHBondContact O-N 3.28Å; D4-S7 PolarHBondContact O-N 3.49Å; D4-E8 PolarHBondContact O-N 3.06Å |
| 5 | A | 72.4 | Confident | 70.5 | Confident | 54 Ų | 54 | 103.6 Ų | 103.6 | 45% | 0.446 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -65.2 | -38.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | M1 W2 E8 | M1-A5 PolarHBondContact O-N 3.31Å; M1-A5 VanDerWaalsContact O-N 3.13Å; W2-A5 PolarHBondContact O-N 2.82Å; W2-A5 VanDerWaalsContact O-N 3.1Å; A5-E8 PolarHBondContact O-N 3.47Å |
| 6 | V | 69 | Low | 71.2 | Confident | 66 Ų | 66 | 99.9 Ų | 99.9 | 40% | 0.4 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -69.5 | -39.4 | 175.4 | 171.6 | 0 | 0 | 0 | 0 | 110.8 | W2 E8 C9 D10 | W2-V6 VanDerWaalsContact NE1-CG2 3.32Å; W2-V6 PolarHBondContact O-N 3.45Å; V6-E8 PolarHBondContact O-N 3.32Å; V6-C9 WeakPolarHBondContact O-CA 3.42Å; V6-C9 WeakPolarHBondContact O-CB 3.4Å; V6-C9 PolarHBondContact O-N 3.29Å; V6-D10 PolarHBondContact O-N 3.17Å |
| 7 | S | 72 | Confident | 72.1 | Confident | 70 Ų | 70 | 100.8 Ų | 100.8 | 49% | 0.49 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -60.8 | -31.3 | 176.7 | 179.5 | 0 | 0 | 0 | 0 | 113.1 | G3 D4 C9 D10 | G3-S7 WeakPolarHBondContact O-CB 3.38Å; G3-S7 PolarHBondContact O-N 3.34Å; D4-S7 PolarHBondContact O-N 3.49Å; S7-C9 PolarHBondContact O-N 3.21Å; S7-D10 PolarHBondContact O-N 2.9Å |
| 8 | E | 70.4 | Confident | 73 | Confident | 138 Ų | 138 | 100.1 Ų | 100.1 | 65% | 0.645 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -70.2 | -20.9 | 174.4 | -164.2 | -173.2 | 144.9 | 0 | 0 | 112.4 | D4 A5 V6 K12 | D4-E8 PolarHBondContact O-N 3.06Å; A5-E8 PolarHBondContact O-N 3.47Å; V6-E8 PolarHBondContact O-N 3.32Å; E8-K12 PolarHBondContact O-NZ 3.13Å |
| 9 | C | 65.3 | Low | 73.8 | Confident | 76 Ų | 76 | 97.5 Ų | 97.5 | 51% | 0.514 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -82.5 | -31.4 | 172.5 | -68.3 | 0 | 0 | 0 | 0 | 112.3 | V6 S7 D11 K12 | V6-C9 WeakPolarHBondContact O-CA 3.42Å; V6-C9 WeakPolarHBondContact O-CB 3.4Å; V6-C9 PolarHBondContact O-N 3.29Å; S7-C9 PolarHBondContact O-N 3.21Å; C9-D11 PolarHBondContact O-N 3.41Å; C9-K12 WeakPolarHBondContact O-CB 3.36Å; C9-K12 PolarHBondContact O-N 3.39Å |
| 10 | D | 66.2 | Low | 74.5 | Confident | 129 Ų | 129 | 94.7 Ų | 94.7 | 69% | 0.69 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -63.7 | -30 | 176.5 | -72.8 | -26.8 | 0 | 0 | 0 | 112.6 | V6 S7 K12 | V6-D10 PolarHBondContact O-N 3.17Å; S7-D10 PolarHBondContact O-N 2.9Å; D10-K12 VanDerWaalsContact C-N 3.27Å; D10-K12 PolarHBondContact O-N 3.27Å |
| 11 | D | 66.2 | Low | 75.3 | Confident | 150 Ų | 150 | 94.1 Ų | 94.1 | 80% | 0.802 | 52% | 0.515 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.9 | -4.9 | -178.1 | -146.5 | 23.5 | 0 | 0 | 0 | 113.3 | C9 S13 | C9-D11 PolarHBondContact O-N 3.41Å; D11-S13 PolarHBondContact O-N 2.93Å |
| 12 | K | 61.7 | Low | 76.3 | Confident | 105 Ų | 105 | 89 Ų | 89 | 46% | 0.457 | 49% | 0.494 | S | S | . | . | S | Bend | trans | -73.3 | 114.4 | 173.3 | -66.4 | 177.4 | 175.4 | 70.6 | 0 | 106.9 | E8 C9 D10 A14 | E8-K12 PolarHBondContact O-NZ 3.13Å; C9-K12 WeakPolarHBondContact O-CB 3.36Å; C9-K12 PolarHBondContact O-N 3.39Å; D10-K12 VanDerWaalsContact C-N 3.27Å; D10-K12 PolarHBondContact O-N 3.27Å; K12-A14 PolarHBondContact O-N 3.21Å |
| 13 | S | 61 | Low | 77 | Confident | 53 Ų | 53 | 80.8 Ų | 80.8 | 37% | 0.371 | 46% | 0.464 | S | S | . | . | trans | -37.8 | 138.5 | 169.6 | 52.8 | 0 | 0 | 0 | 0 | 109.7 | D11 I15 Q18 | D11-S13 PolarHBondContact O-N 2.93Å; S13-I15 PolarHBondContact O-N 3.01Å; S13-Q18 PolarHBondContact O-NE2 3.3Å; S13-Q18 VanDerWaalsContact OG-CD 3.29Å; S13-Q18 WeakPolarHBondContact OG-CG 3.27Å; S13-Q18 PolarHBondContact OG-NE2 2.89Å | ||
| 14 | A | 75.3 | Confident | 77.6 | Confident | 53 Ų | 53 | 80.9 Ų | 80.9 | 44% | 0.438 | 45% | 0.452 | S | S | . | . | trans | -38.1 | 119.6 | -175.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | K12 D16 E17 Q18 | K12-A14 PolarHBondContact O-N 3.21Å; A14-D16 HydrophobicContact CB-CB 4.41Å; A14-D16 CarbonylContact O-C 3.48Å; A14-D16 PolarHBondContact O-N 2.91Å; A14-E17 WeakPolarHBondContact O-CB 3.36Å; A14-E17 PolarHBondContact O-N 3.44Å; A14-Q18 PolarHBondContact O-N 2.99Å | ||
| 15 | I | 79.6 | Confident | 78.3 | Confident | 109 Ų | 109 | 79.7 Ų | 79.7 | 56% | 0.559 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -47.5 | -35.4 | -175.4 | -73.8 | 164.8 | 0 | 0 | 0 | 110.7 | S13 E17 Q18 V19 I46 | S13-I15 PolarHBondContact O-N 3.01Å; I15-E17 VanDerWaalsContact C-N 3.35Å; I15-E17 PolarHBondContact O-N 3.02Å; I15-Q18 PolarHBondContact O-N 3.23Å; I15-V19 HydrophobicContact CG2-CG2 3.94Å; I15-V19 VanDerWaalsContact O-CG2 3.31Å; I15-V19 WeakPolarHBondContact O-CG2 3.29Å; I15-V19 PolarHBondContact O-N 3.48Å; I15-I46 HydrophobicContact CG2-CG2 4.17Å |
| 16 | D | 82.4 | Confident | 79.2 | Confident | 44 Ų | 44 | 77.6 Ų | 77.6 | 24% | 0.235 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -42.1 | -53.2 | 168.4 | -58.1 | -61.3 | 0 | 0 | 0 | 113.9 | A14 M20 I46 R50 | A14-D16 HydrophobicContact CB-CB 4.41Å; A14-D16 CarbonylContact O-C 3.48Å; A14-D16 PolarHBondContact O-N 2.91Å; D16-M20 WeakPolarHBondContact O-CB 3.43Å; D16-M20 VanDerWaalsContact O-CG 3.22Å; D16-M20 WeakPolarHBondContact O-CG 3.39Å; D16-M20 PolarHBondContact O-N 2.85Å; D16-M20 VanDerWaalsContact O-N 3.12Å; D16-I46 WeakPolarHBondContact OD1-CG2 3.4Å; D16-R50 IonicContact OD2-NH1 3.19Å; D16-R50 PolarHBondContact OD2-NH1 2.91Å |
| 17 | E | 86.2 | Confident | 80.2 | Confident | 116 Ų | 116 | 77.3 Ų | 77.3 | 54% | 0.542 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -66.5 | -47.4 | -179.6 | -174.7 | 175.1 | -159 | 0 | 0 | 111.5 | A14 I15 V19 M20 D21 | A14-E17 WeakPolarHBondContact O-CB 3.36Å; A14-E17 PolarHBondContact O-N 3.44Å; I15-E17 VanDerWaalsContact C-N 3.35Å; I15-E17 PolarHBondContact O-N 3.02Å; E17-V19 PolarHBondContact O-N 3.18Å; E17-M20 PolarHBondContact O-N 3.48Å; E17-D21 PolarHBondContact O-N 2.97Å |
| 18 | Q | 87.2 | Confident | 81.1 | Confident | 88 Ų | 88 | 81.9 Ų | 81.9 | 41% | 0.411 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -64.4 | -41.4 | -178.5 | -67.5 | -174.5 | 78.7 | 0 | 0 | 112.4 | S13 A14 I15 M20 D21 V22 | S13-Q18 PolarHBondContact O-NE2 3.3Å; S13-Q18 VanDerWaalsContact OG-CD 3.29Å; S13-Q18 WeakPolarHBondContact OG-CG 3.27Å; S13-Q18 PolarHBondContact OG-NE2 2.89Å; A14-Q18 PolarHBondContact O-N 2.99Å; I15-Q18 PolarHBondContact O-N 3.23Å; Q18-M20 VanDerWaalsContact C-N 3.34Å; Q18-D21 PolarHBondContact O-N 2.99Å; Q18-V22 WeakPolarHBondContact O-CG2 3.22Å; Q18-V22 PolarHBondContact O-N 3.37Å |
| 19 | V | 88.2 | Confident | 82.2 | Confident | 50 Ų | 50 | 82.1 Ų | 82.1 | 30% | 0.303 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -65.4 | -42.5 | 177.6 | 173.9 | 0 | 0 | 0 | 0 | 110.1 | I15 E17 D21 V22 V23 I42 I46 | I15-V19 HydrophobicContact CG2-CG2 3.94Å; I15-V19 VanDerWaalsContact O-CG2 3.31Å; I15-V19 WeakPolarHBondContact O-CG2 3.29Å; I15-V19 PolarHBondContact O-N 3.48Å; E17-V19 PolarHBondContact O-N 3.18Å; V19-D21 VanDerWaalsContact C-N 3.35Å; V19-D21 PolarHBondContact O-N 3.41Å; V19-V22 PolarHBondContact O-N 2.9Å; V19-V23 WeakPolarHBondContact O-CG2 3.36Å; V19-V23 PolarHBondContact O-N 3.17Å; V19-I42 HydrophobicContact CG1-CG2 3.67Å; V19-I46 HydrophobicContact CB-CD1 3.62Å; V19-I46 HydrophobicContact CB-CG1 4.36Å; V19-I46 HydrophobicContact CG1-CD1 3.7Å; V19-I46 HydrophobicContact CG1-CG1 4.2Å; V19-I46 HydrophobicContact CG2-CD1 4.02Å; V19-I46 HydrophobicContact CG2-CG1 4.34Å |
| 20 | M | 89 | Confident | 83.4 | Confident | 41 Ų | 41 | 81.2 Ų | 81.2 | 20% | 0.202 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -61.3 | -42.6 | 175.7 | -77.7 | -62.4 | -68 | 0 | 0 | 112.2 | D16 E17 Q18 V23 N24 E39 I42 | D16-M20 WeakPolarHBondContact O-CB 3.43Å; D16-M20 VanDerWaalsContact O-CG 3.22Å; D16-M20 WeakPolarHBondContact O-CG 3.39Å; D16-M20 PolarHBondContact O-N 2.85Å; D16-M20 VanDerWaalsContact O-N 3.12Å; E17-M20 PolarHBondContact O-N 3.48Å; Q18-M20 VanDerWaalsContact C-N 3.34Å; M20-V23 PolarHBondContact O-N 3.18Å; M20-N24 WeakPolarHBondContact O-CB 3.44Å; M20-N24 PolarHBondContact O-N 2.87Å; M20-N24 PolarHBondContact O-ND2 3.41Å; M20-E39 HydrophobicContact CE-CB 4.17Å; M20-E39 HydrophobicContact CE-CG 3.75Å; M20-I42 HydrophobicContact SD-CD1 4.3Å; M20-I42 HydrophobicContact SD-CG2 4.12Å |
| 21 | D | 90.7 | Very high | 84.4 | Confident | 84 Ų | 84 | 76.3 Ų | 76.3 | 45% | 0.449 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -61.3 | -45.9 | 176.4 | -76.6 | -13.7 | 0 | 0 | 0 | 111.9 | E17 Q18 V19 V23 N24 I25 | E17-D21 PolarHBondContact O-N 2.97Å; Q18-D21 PolarHBondContact O-N 2.99Å; V19-D21 VanDerWaalsContact C-N 3.35Å; V19-D21 PolarHBondContact O-N 3.41Å; D21-V23 PolarHBondContact O-N 3.48Å; D21-N24 PolarHBondContact O-N 2.84Å; D21-I25 WeakPolarHBondContact O-CB 3.43Å; D21-I25 WeakPolarHBondContact O-CD1 3.42Å; D21-I25 VanDerWaalsContact O-CG1 3.23Å; D21-I25 WeakPolarHBondContact O-CG1 3.45Å; D21-I25 PolarHBondContact O-N 3.35Å |
| 22 | V | 89.9 | Confident | 85.3 | Confident | 90 Ų | 90 | 76.8 Ų | 76.8 | 55% | 0.545 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -61.4 | -44.2 | 177.5 | 170.8 | 0 | 0 | 0 | 0 | 111.3 | Q18 V19 N24 I25 G26 | Q18-V22 WeakPolarHBondContact O-CG2 3.22Å; Q18-V22 PolarHBondContact O-N 3.37Å; V19-V22 PolarHBondContact O-N 2.9Å; V22-N24 VanDerWaalsContact C-N 3.35Å; V22-I25 PolarHBondContact O-N 2.76Å; V22-G26 PolarHBondContact O-N 2.96Å |
| 23 | V | 89.1 | Confident | 86.4 | Confident | 7 Ų | 7 | 82 Ų | 82 | 4% | 0.042 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -62.3 | -44.7 | 176.9 | 169.5 | 0 | 0 | 0 | 0 | 110.6 | V19 M20 D21 G26 K27 F34 M37 I42 | V19-V23 WeakPolarHBondContact O-CG2 3.36Å; V19-V23 PolarHBondContact O-N 3.17Å; M20-V23 PolarHBondContact O-N 3.18Å; D21-V23 PolarHBondContact O-N 3.48Å; V23-G26 PolarHBondContact O-N 2.9Å; V23-K27 HydrophobicContact CG1-CD 4.14Å; V23-K27 HydrophobicContact CG1-CG 4.47Å; V23-K27 WeakPolarHBondContact O-CG 3.39Å; V23-K27 PolarHBondContact O-N 3.43Å; V23-F34 HydrophobicContact CG2-CD1 4.33Å; V23-M37 HydrophobicContact CG1-CB 4.5Å; V23-M37 HydrophobicContact CG2-SD 4.17Å; V23-I42 HydrophobicContact CB-CD1 4.18Å; V23-I42 HydrophobicContact CG1-CD1 3.7Å; V23-I42 HydrophobicContact CG2-CD1 3.86Å; V23-I42 HydrophobicContact CG2-CG1 4.45Å |
| 24 | N | 91.4 | Very high | 87.6 | Confident | 60 Ų | 60 | 83 Ų | 83 | 32% | 0.321 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -62.9 | -45.2 | 179.4 | -73.7 | -25.3 | 0 | 0 | 0 | 111.6 | M20 D21 V22 G26 K27 E28 | M20-N24 WeakPolarHBondContact O-CB 3.44Å; M20-N24 PolarHBondContact O-N 2.87Å; M20-N24 PolarHBondContact O-ND2 3.41Å; D21-N24 PolarHBondContact O-N 2.84Å; V22-N24 VanDerWaalsContact C-N 3.35Å; N24-G26 VanDerWaalsContact C-N 3.3Å; N24-G26 PolarHBondContact O-N 3.46Å; N24-K27 WeakPolarHBondContact O-CB 3.35Å; N24-K27 PolarHBondContact O-N 3.46Å; N24-K27 VanDerWaalsContact O-N 3.17Å; N24-E28 WeakPolarHBondContact O-CG 3.44Å; N24-E28 PolarHBondContact O-N 3.26Å |
| 25 | I | 91.8 | Very high | 88 | Confident | 91 Ų | 91 | 83.6 Ų | 83.6 | 47% | 0.467 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -59.2 | -44.1 | 173.8 | -68.1 | 163.5 | 0 | 0 | 0 | 110.3 | D21 V22 K27 E28 L29 | D21-I25 WeakPolarHBondContact O-CB 3.43Å; D21-I25 WeakPolarHBondContact O-CD1 3.42Å; D21-I25 VanDerWaalsContact O-CG1 3.23Å; D21-I25 WeakPolarHBondContact O-CG1 3.45Å; D21-I25 PolarHBondContact O-N 3.35Å; V22-I25 PolarHBondContact O-N 2.76Å; I25-K27 VanDerWaalsContact C-N 3.33Å; I25-K27 PolarHBondContact O-N 3.12Å; I25-E28 PolarHBondContact O-N 3.25Å; I25-L29 HydrophobicContact CG2-CD1 3.73Å; I25-L29 HydrophobicContact CG2-CG 4.27Å; I25-L29 WeakPolarHBondContact O-CB 3.47Å; I25-L29 VanDerWaalsContact O-CG 3.23Å; I25-L29 WeakPolarHBondContact O-CG 3.47Å; I25-L29 PolarHBondContact O-N 3.35Å |
| 26 | G | 90.1 | Very high | 88.4 | Confident | 9 Ų | 9 | 84.6 Ų | 84.6 | 9% | 0.093 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -58.4 | -42.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | V22 V23 N24 G30 G31 | V22-G26 PolarHBondContact O-N 2.96Å; V23-G26 PolarHBondContact O-N 2.9Å; N24-G26 VanDerWaalsContact C-N 3.3Å; N24-G26 PolarHBondContact O-N 3.46Å; G26-G30 PolarHBondContact O-N 3.48Å; G26-G31 WeakPolarHBondContact O-CA 3.49Å; G26-G31 PolarHBondContact O-N 2.88Å |
| 27 | K | 90.8 | Very high | 88.7 | Confident | 60 Ų | 60 | 85.7 Ų | 85.7 | 26% | 0.261 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -63.9 | -47.4 | 175.2 | -71.7 | 174.3 | 175.6 | 175.2 | 0 | 111.8 | V23 N24 I25 L29 G30 F34 M37 | V23-K27 HydrophobicContact CG1-CD 4.14Å; V23-K27 HydrophobicContact CG1-CG 4.47Å; V23-K27 WeakPolarHBondContact O-CG 3.39Å; V23-K27 PolarHBondContact O-N 3.43Å; N24-K27 WeakPolarHBondContact O-CB 3.35Å; N24-K27 PolarHBondContact O-N 3.46Å; N24-K27 VanDerWaalsContact O-N 3.17Å; I25-K27 VanDerWaalsContact C-N 3.33Å; I25-K27 PolarHBondContact O-N 3.12Å; K27-L29 VanDerWaalsContact C-N 3.29Å; K27-L29 PolarHBondContact O-N 3.43Å; K27-G30 PolarHBondContact O-N 3.39Å; K27-F34 WeakPolarHBondContact CE-O 3.48Å; K27-F34 HydrophobicContact CG-CB 4Å; K27-M37 WeakPolarHBondContact CE-O 3.23Å; K27-M37 PolarHBondContact NZ-O 3.35Å |
| 28 | E | 91.7 | Very high | 88.7 | Confident | 166 Ų | 166 | 83.8 Ų | 83.8 | 78% | 0.776 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -62.6 | -36 | 179.2 | -72.7 | -177.2 | 166.3 | 0 | 0 | 112.6 | N24 I25 G30 | N24-E28 WeakPolarHBondContact O-CG 3.44Å; N24-E28 PolarHBondContact O-N 3.26Å; I25-E28 PolarHBondContact O-N 3.25Å; E28-G30 PolarHBondContact O-N 2.99Å |
| 29 | L | 93.5 | Very high | 88.7 | Confident | 143 Ų | 143 | 84.3 Ų | 84.3 | 75% | 0.749 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.6 | 2.1 | 175.6 | -66.1 | 176.2 | 0 | 0 | 0 | 113.4 | I25 K27 | I25-L29 HydrophobicContact CG2-CD1 3.73Å; I25-L29 HydrophobicContact CG2-CG 4.27Å; I25-L29 WeakPolarHBondContact O-CB 3.47Å; I25-L29 VanDerWaalsContact O-CG 3.23Å; I25-L29 WeakPolarHBondContact O-CG 3.47Å; I25-L29 PolarHBondContact O-N 3.35Å; K27-L29 VanDerWaalsContact C-N 3.29Å; K27-L29 PolarHBondContact O-N 3.43Å |
| 30 | G | 89.4 | Confident | 88.7 | Confident | 58 Ų | 58 | 86.9 Ų | 86.9 | 60% | 0.598 | 46% | 0.458 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.1 | 22.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | G26 K27 E28 E32 | G26-G30 PolarHBondContact O-N 3.48Å; K27-G30 PolarHBondContact O-N 3.39Å; E28-G30 PolarHBondContact O-N 2.99Å; G30-E32 PolarHBondContact O-N 2.92Å |
| 31 | G | 88.2 | Confident | 88.6 | Confident | 25 Ų | 25 | 89.7 Ų | 89.7 | 26% | 0.258 | 47% | 0.473 | S | S | . | . | trans | -67.1 | 99.7 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | G26 R33 F34 S35 | G26-G31 WeakPolarHBondContact O-CA 3.49Å; G26-G31 PolarHBondContact O-N 2.88Å; G31-R33 VanDerWaalsContact C-N 3.25Å; G31-R33 PolarHBondContact O-N 3.19Å; G31-R33 VanDerWaalsContact O-N 3.17Å; G31-F34 WeakPolarHBondContact O-CB 3.23Å; G31-F34 PolarHBondContact O-N 3.42Å; G31-S35 PolarHBondContact O-N 3.36Å; G31-S35 PolarHBondContact O-OG 3.16Å | ||
| 32 | E | 84.7 | Confident | 88.5 | Confident | 160 Ų | 160 | 86.4 Ų | 86.4 | 75% | 0.748 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -50.3 | -43.9 | -176 | -169.8 | 173.5 | -155 | 0 | 0 | 112.6 | G30 F34 S35 D36 | G30-E32 PolarHBondContact O-N 2.92Å; E32-F34 VanDerWaalsContact C-N 3.28Å; E32-F34 PolarHBondContact O-N 2.91Å; E32-S35 WeakPolarHBondContact O-CB 3.39Å; E32-S35 PolarHBondContact O-N 3.04Å; E32-S35 VanDerWaalsContact O-N 3.13Å; E32-D36 PolarHBondContact O-N 3.43Å |
| 33 | R | 83.7 | Confident | 88.4 | Confident | 216 Ų | 216 | 88.3 Ų | 88.3 | 82% | 0.815 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -64.3 | -28.9 | 178.4 | -68 | -175.5 | 177.4 | 175 | -1 | 114.2 | G31 M37 | G31-R33 VanDerWaalsContact C-N 3.25Å; G31-R33 PolarHBondContact O-N 3.19Å; G31-R33 VanDerWaalsContact O-N 3.17Å; R33-M37 WeakPolarHBondContact O-CE 3.36Å; R33-M37 WeakPolarHBondContact O-CG 3.38Å |
| 34 | F | 86.1 | Confident | 88.3 | Confident | 72 Ų | 72 | 94.7 Ų | 94.7 | 32% | 0.316 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -78.7 | -32.5 | 176.1 | -66.8 | -72.9 | 0 | 0 | 0 | 111.3 | V23 K27 G31 E32 D36 M37 | V23-F34 HydrophobicContact CG2-CD1 4.33Å; K27-F34 WeakPolarHBondContact CE-O 3.48Å; K27-F34 HydrophobicContact CG-CB 4Å; G31-F34 WeakPolarHBondContact O-CB 3.23Å; G31-F34 PolarHBondContact O-N 3.42Å; E32-F34 VanDerWaalsContact C-N 3.28Å; E32-F34 PolarHBondContact O-N 2.91Å; F34-D36 PolarHBondContact O-N 3.14Å; F34-M37 HydrophobicContact CD1-CE 3.36Å; F34-M37 HydrophobicContact CD1-SD 3.79Å; F34-M37 HydrophobicContact CE1-CE 3.74Å; F34-M37 HydrophobicContact CE1-SD 4.4Å; F34-M37 HydrophobicContact CG-CE 4.1Å; F34-M37 WeakPolarHBondContact O-CB 3.4Å; F34-M37 PolarHBondContact O-N 2.82Å |
| 35 | S | 84 | Confident | 88 | Confident | 66 Ų | 66 | 97.8 Ų | 97.8 | 46% | 0.462 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -59.7 | -34.8 | 177.6 | -59.7 | 0 | 0 | 0 | 0 | 113 | G31 E32 M37 | G31-S35 PolarHBondContact O-N 3.36Å; G31-S35 PolarHBondContact O-OG 3.16Å; E32-S35 WeakPolarHBondContact O-CB 3.39Å; E32-S35 PolarHBondContact O-N 3.04Å; E32-S35 VanDerWaalsContact O-N 3.13Å; S35-M37 VanDerWaalsContact C-N 3.3Å; S35-M37 PolarHBondContact O-N 3.4Å |
| 36 | D | 87.8 | Confident | 87.7 | Confident | 131 Ų | 131 | 94.2 Ų | 94.2 | 70% | 0.701 | 48% | 0.476 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.4 | -17.5 | 177.8 | -65.1 | -26.8 | 0 | 0 | 0 | 113.2 | E32 F34 V38 | E32-D36 PolarHBondContact O-N 3.43Å; F34-D36 PolarHBondContact O-N 3.14Å; D36-V38 PolarHBondContact O-N 2.94Å |
| 37 | M | 88.9 | Confident | 87.4 | Confident | 66 Ų | 66 | 99.7 Ų | 99.7 | 33% | 0.325 | 50% | 0.499 | S | S | . | . | trans | -75.2 | 119.2 | -179.5 | -58.1 | -179.3 | -157.7 | 0 | 0 | 110.6 | V23 K27 R33 F34 S35 I42 | V23-M37 HydrophobicContact CG1-CB 4.5Å; V23-M37 HydrophobicContact CG2-SD 4.17Å; K27-M37 WeakPolarHBondContact CE-O 3.23Å; K27-M37 PolarHBondContact NZ-O 3.35Å; R33-M37 WeakPolarHBondContact O-CE 3.36Å; R33-M37 WeakPolarHBondContact O-CG 3.38Å; F34-M37 HydrophobicContact CD1-CE 3.36Å; F34-M37 HydrophobicContact CD1-SD 3.79Å; F34-M37 HydrophobicContact CE1-CE 3.74Å; F34-M37 HydrophobicContact CE1-SD 4.4Å; F34-M37 HydrophobicContact CG-CE 4.1Å; F34-M37 WeakPolarHBondContact O-CB 3.4Å; F34-M37 PolarHBondContact O-N 2.82Å; S35-M37 VanDerWaalsContact C-N 3.3Å; S35-M37 PolarHBondContact O-N 3.4Å; M37-I42 HydrophobicContact CB-CD1 3.9Å; M37-I42 HydrophobicContact CB-CG1 4.21Å | ||
| 38 | V | 87.5 | Confident | 87 | Confident | 76 Ų | 76 | 102.3 Ų | 102.3 | 46% | 0.461 | 52% | 0.516 | S | S | . | . | trans | -87.2 | 148.7 | 173.1 | -62 | 0 | 0 | 0 | 0 | 110.7 | D36 D40 D41 I42 | D36-V38 PolarHBondContact O-N 2.94Å; V38-D40 PolarHBondContact O-N 3.5Å; V38-D41 HydrophobicContact CG2-CB 3.66Å; V38-D41 VanDerWaalsContact CG2-OD1 3.29Å; V38-D41 WeakPolarHBondContact CG2-OD1 3.32Å; V38-D41 VanDerWaalsContact CG2-OD2 3.27Å; V38-D41 WeakPolarHBondContact CG2-OD2 3.45Å; V38-D41 PolarHBondContact O-N 3.22Å; V38-I42 WeakPolarHBondContact O-CD1 3.28Å; V38-I42 WeakPolarHBondContact O-CG1 3.11Å; V38-I42 PolarHBondContact O-N 3.42Å | ||
| 39 | E | 85.9 | Confident | 86.5 | Confident | 100 Ų | 100 | 98.5 Ų | 98.5 | 47% | 0.467 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60.6 | -34.7 | -175.4 | -56.1 | -170 | 164.3 | 0 | 0 | 112.9 | M20 I42 R43 | M20-E39 HydrophobicContact CE-CB 4.17Å; M20-E39 HydrophobicContact CE-CG 3.75Å; E39-I42 PolarHBondContact O-N 3.24Å; E39-R43 WeakPolarHBondContact O-CB 3.14Å; E39-R43 PolarHBondContact O-N 3.03Å |
| 40 | D | 87.7 | Confident | 85.9 | Confident | 104 Ų | 104 | 98.8 Ų | 98.8 | 56% | 0.556 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -70.1 | -41.3 | -179.2 | -71.9 | -25 | 0 | 0 | 0 | 112 | V38 I42 R43 E44 | V38-D40 PolarHBondContact O-N 3.5Å; D40-I42 VanDerWaalsContact C-N 3.3Å; D40-I42 PolarHBondContact O-N 3.04Å; D40-R43 PolarHBondContact O-N 3.45Å; D40-R43 IonicContact OD1-CZ 3.66Å; D40-R43 IonicContact OD1-NH1 2.85Å; D40-R43 PolarHBondContact OD1-NH1 3.27Å; D40-R43 IonicContact OD1-NH2 3.82Å; D40-E44 WeakPolarHBondContact O-CB 3.35Å; D40-E44 PolarHBondContact O-N 3.35Å |
| 41 | D | 88.5 | Confident | 85.4 | Confident | 99 Ų | 99 | 103.3 Ų | 103.3 | 53% | 0.529 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.9 | -39.1 | 175.6 | -68.7 | 6.9 | 0 | 0 | 0 | 111.1 | V38 H45 | V38-D41 HydrophobicContact CG2-CB 3.66Å; V38-D41 VanDerWaalsContact CG2-OD1 3.29Å; V38-D41 WeakPolarHBondContact CG2-OD1 3.32Å; V38-D41 VanDerWaalsContact CG2-OD2 3.27Å; V38-D41 WeakPolarHBondContact CG2-OD2 3.45Å; V38-D41 PolarHBondContact O-N 3.22Å; D41-H45 WeakPolarHBondContact O-CB 3.37Å; D41-H45 PolarHBondContact O-N 3.39Å |
| 42 | I | 88.2 | Confident | 84.9 | Confident | 15 Ų | 15 | 107.3 Ų | 107.3 | 8% | 0.077 | 53% | 0.525 | C | S | . | . | H | α-helix | trans | -63.7 | -47.7 | 175.9 | -65.6 | 157.7 | 0 | 0 | 0 | 109.7 | V19 M20 V23 M37 V38 E39 D40 E44 H45 I46 | V19-I42 HydrophobicContact CG1-CG2 3.67Å; M20-I42 HydrophobicContact SD-CD1 4.3Å; M20-I42 HydrophobicContact SD-CG2 4.12Å; V23-I42 HydrophobicContact CB-CD1 4.18Å; V23-I42 HydrophobicContact CG1-CD1 3.7Å; V23-I42 HydrophobicContact CG2-CD1 3.86Å; V23-I42 HydrophobicContact CG2-CG1 4.45Å; M37-I42 HydrophobicContact CB-CD1 3.9Å; M37-I42 HydrophobicContact CB-CG1 4.21Å; V38-I42 WeakPolarHBondContact O-CD1 3.28Å; V38-I42 WeakPolarHBondContact O-CG1 3.11Å; V38-I42 PolarHBondContact O-N 3.42Å; E39-I42 PolarHBondContact O-N 3.24Å; D40-I42 VanDerWaalsContact C-N 3.3Å; D40-I42 PolarHBondContact O-N 3.04Å; I42-E44 PolarHBondContact O-N 3.42Å; I42-H45 PolarHBondContact O-N 3.34Å; I42-I46 HydrophobicContact CG2-CD1 3.86Å; I42-I46 HydrophobicContact CG2-CG1 4.41Å; I42-I46 VanDerWaalsContact O-CG1 3.28Å; I42-I46 WeakPolarHBondContact O-CG1 3.33Å; I42-I46 PolarHBondContact O-N 2.95Å |
| 43 | R | 86.8 | Confident | 84.7 | Confident | 130 Ų | 130 | 106.5 Ų | 106.5 | 49% | 0.491 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.5 | -41.6 | 179.9 | -165.6 | -176.8 | -55.8 | 125.3 | 8.9 | 111.9 | E39 D40 H45 I46 E47 | E39-R43 WeakPolarHBondContact O-CB 3.14Å; E39-R43 PolarHBondContact O-N 3.03Å; D40-R43 PolarHBondContact O-N 3.45Å; D40-R43 IonicContact OD1-CZ 3.66Å; D40-R43 IonicContact OD1-NH1 2.85Å; D40-R43 PolarHBondContact OD1-NH1 3.27Å; D40-R43 IonicContact OD1-NH2 3.82Å; R43-H45 VanDerWaalsContact C-N 3.3Å; R43-H45 PolarHBondContact O-N 3.18Å; R43-I46 PolarHBondContact O-N 3.21Å; R43-E47 WeakPolarHBondContact O-CB 3.31Å; R43-E47 PolarHBondContact O-N 3.45Å |
| 44 | E | 87.6 | Confident | 84.9 | Confident | 142 Ų | 142 | 99.7 Ų | 99.7 | 66% | 0.664 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -59.4 | -43.9 | 173.8 | -178.9 | 175.9 | -168.3 | 0 | 0 | 110.8 | D40 I42 E47 N48 | D40-E44 WeakPolarHBondContact O-CB 3.35Å; D40-E44 PolarHBondContact O-N 3.35Å; I42-E44 PolarHBondContact O-N 3.42Å; E44-E47 PolarHBondContact O-N 2.69Å; E44-N48 WeakPolarHBondContact O-CB 3.31Å; E44-N48 PolarHBondContact O-N 2.8Å |
| 45 | H | 85.6 | Confident | 85 | Confident | 125 Ų | 125 | 103.1 Ų | 103.1 | 58% | 0.579 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -66.2 | -41.4 | 178.9 | -160.7 | 58.3 | 0 | 0 | 0 | 112.5 | D41 I42 R43 N48 C49 | D41-H45 WeakPolarHBondContact O-CB 3.37Å; D41-H45 PolarHBondContact O-N 3.39Å; I42-H45 PolarHBondContact O-N 3.34Å; R43-H45 VanDerWaalsContact C-N 3.3Å; R43-H45 PolarHBondContact O-N 3.18Å; H45-N48 PolarHBondContact O-N 3.31Å; H45-C49 WeakPolarHBondContact O-CB 3.47Å; H45-C49 PolarHBondContact O-N 3.43Å; H45-C49 PolarHBondContact O-SG 2.93Å; H45-C49 VanDerWaalsContact O-SG 3.4Å |
| 46 | I | 85.5 | Confident | 85.3 | Confident | 16 Ų | 16 | 107.4 Ų | 107.4 | 8% | 0.082 | 54% | 0.536 | C | S | . | . | H | α-helix | trans | -63.1 | -45.6 | 176.5 | -63.7 | 169.2 | 0 | 0 | 0 | 110.4 | I15 D16 V19 I42 R43 N48 C49 R50 | I15-I46 HydrophobicContact CG2-CG2 4.17Å; D16-I46 WeakPolarHBondContact OD1-CG2 3.4Å; V19-I46 HydrophobicContact CB-CD1 3.62Å; V19-I46 HydrophobicContact CB-CG1 4.36Å; V19-I46 HydrophobicContact CG1-CD1 3.7Å; V19-I46 HydrophobicContact CG1-CG1 4.2Å; V19-I46 HydrophobicContact CG2-CD1 4.02Å; V19-I46 HydrophobicContact CG2-CG1 4.34Å; I42-I46 HydrophobicContact CG2-CD1 3.86Å; I42-I46 HydrophobicContact CG2-CG1 4.41Å; I42-I46 VanDerWaalsContact O-CG1 3.28Å; I42-I46 WeakPolarHBondContact O-CG1 3.33Å; I42-I46 PolarHBondContact O-N 2.95Å; R43-I46 PolarHBondContact O-N 3.21Å; I46-N48 VanDerWaalsContact C-N 3.32Å; I46-N48 PolarHBondContact O-N 3.24Å; I46-C49 CarbonylContact O-C 3.58Å; I46-C49 PolarHBondContact O-N 2.87Å; I46-C49 VanDerWaalsContact O-N 3.14Å; I46-R50 VanDerWaalsContact O-CB 3.32Å; I46-R50 WeakPolarHBondContact O-CB 3.38Å; I46-R50 PolarHBondContact O-N 3.24Å |
| 47 | E | 84.2 | Confident | 85.2 | Confident | 123 Ų | 123 | 105.7 Ų | 105.7 | 58% | 0.575 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -60.3 | -43.1 | 177.7 | -170 | 67.6 | -167.4 | 0 | 0 | 111.4 | R43 E44 C49 R50 | R43-E47 WeakPolarHBondContact O-CB 3.31Å; R43-E47 PolarHBondContact O-N 3.45Å; E44-E47 PolarHBondContact O-N 2.69Å; E47-C49 VanDerWaalsContact C-N 3.32Å; E47-C49 PolarHBondContact O-N 3.39Å; E47-R50 WeakPolarHBondContact O-CB 3.29Å; E47-R50 PolarHBondContact O-N 3.02Å; E47-R50 VanDerWaalsContact O-N 3.16Å |
| 48 | N | 82.2 | Confident | 85 | Confident | 115 Ų | 115 | 104.9 Ų | 104.9 | 62% | 0.615 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -64.5 | -34.9 | 176.1 | -175.3 | 79.3 | 0 | 0 | 0 | 112.7 | E44 H45 I46 R50 | E44-N48 WeakPolarHBondContact O-CB 3.31Å; E44-N48 PolarHBondContact O-N 2.8Å; H45-N48 PolarHBondContact O-N 3.31Å; I46-N48 VanDerWaalsContact C-N 3.32Å; I46-N48 PolarHBondContact O-N 3.24Å; N48-R50 VanDerWaalsContact C-N 3.35Å |
| 49 | C | 81.6 | Confident | 85 | Confident | 86 Ų | 86 | 108 Ų | 108 | 58% | 0.581 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -82.6 | -11.1 | 175.4 | -69.8 | 0 | 0 | 0 | 0 | 113.7 | H45 I46 E47 E51 | H45-C49 WeakPolarHBondContact O-CB 3.47Å; H45-C49 PolarHBondContact O-N 3.43Å; H45-C49 PolarHBondContact O-SG 2.93Å; H45-C49 VanDerWaalsContact O-SG 3.4Å; I46-C49 CarbonylContact O-C 3.58Å; I46-C49 PolarHBondContact O-N 2.87Å; I46-C49 VanDerWaalsContact O-N 3.14Å; E47-C49 VanDerWaalsContact C-N 3.32Å; E47-C49 PolarHBondContact O-N 3.39Å; C49-E51 PolarHBondContact O-N 2.97Å |
| 50 | R | 79.3 | Confident | 85.1 | Confident | 150 Ų | 150 | 109.5 Ų | 109.5 | 57% | 0.566 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.3 | -9.8 | 178.7 | -163.4 | 178.3 | -171.6 | 147.7 | 9.6 | 112.3 | D16 I46 E47 N48 P52 | D16-R50 IonicContact OD2-NH1 3.19Å; D16-R50 PolarHBondContact OD2-NH1 2.91Å; I46-R50 VanDerWaalsContact O-CB 3.32Å; I46-R50 WeakPolarHBondContact O-CB 3.38Å; I46-R50 PolarHBondContact O-N 3.24Å; E47-R50 WeakPolarHBondContact O-CB 3.29Å; E47-R50 PolarHBondContact O-N 3.02Å; E47-R50 VanDerWaalsContact O-N 3.16Å; N48-R50 VanDerWaalsContact C-N 3.35Å; R50-P52 VanDerWaalsContact O-CD 3.31Å; R50-P52 WeakPolarHBondContact O-CD 3.45Å; R50-P52 VanDerWaalsContact O-N 3.12Å |
| 51 | E | 80.4 | Confident | 84.9 | Confident | 152 Ų | 152 | 109.4 Ų | 109.4 | 71% | 0.71 | 54% | 0.536 | S | S | * | . | S | Bend | trans | -52.6 | 119.9 | 175.6 | -172.1 | 168 | -166.5 | 0 | 0 | 109.7 | C49 | C49-E51 PolarHBondContact O-N 2.97Š|
| 52 | P | 77.5 | Confident | 84.6 | Confident | 110 Ų | 110 | 111.2 Ų | 111.2 | 71% | 0.714 | 54% | 0.543 | S | S | * | . | P | Polyproline II helix | trans | -61.7 | 140.5 | 178.2 | -21.2 | 32.1 | 0 | 0 | 0 | 110.3 | R50 T54 | R50-P52 VanDerWaalsContact O-CD 3.31Å; R50-P52 WeakPolarHBondContact O-CD 3.45Å; R50-P52 VanDerWaalsContact O-N 3.12Å; P52-T54 PolarHBondContact O-N 3.38Å |
| 53 | F | 80.1 | Confident | 84.3 | Confident | 143 Ų | 143 | 118 Ų | 118 | 63% | 0.627 | 57% | 0.574 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 138.1 | 169.7 | -69.3 | -77.5 | 0 | 0 | 0 | 110.9 | E57 | F53-E57 HydrophobicContact CB-CB 4.49Å; F53-E57 HydrophobicContact CD1-CB 4.03Å |
| 54 | T | 87.1 | Confident | 83.8 | Confident | 73 Ų | 73 | 114.7 Ų | 114.7 | 45% | 0.448 | 57% | 0.571 | S | S | . | * | P | Polyproline II helix | trans | -69.6 | 160 | 165.6 | 65.9 | 0 | 0 | 0 | 0 | 110.2 | P52 E56 E57 L58 | P52-T54 PolarHBondContact O-N 3.38Å; T54-E56 PolarHBondContact O-N 3.32Å; T54-E57 WeakPolarHBondContact CB-OE2 3.34Å; T54-E57 WeakPolarHBondContact CG2-OE2 3.37Å; T54-E57 PolarHBondContact N-OE2 3.13Å; T54-E57 PolarHBondContact O-N 3.28Å; T54-E57 VanDerWaalsContact OG1-CD 3.29Å; T54-E57 VanDerWaalsContact OG1-CG 3.29Å; T54-E57 WeakPolarHBondContact OG1-CG 3.38Å; T54-E57 PolarHBondContact OG1-N 3.02Å; T54-E57 PolarHBondContact OG1-OE2 3.43Å; T54-L58 PolarHBondContact O-N 3.07Å |
| 55 | N | 88 | Confident | 82.9 | Confident | 144 Ų | 144 | 113.6 Ų | 113.6 | 77% | 0.77 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -59.6 | -33.1 | 178.5 | -68.6 | -29.8 | 0 | 0 | 0 | 112.6 | E59 | N55-E59 PolarHBondContact O-N 3.36Å |
| 56 | E | 90 | Very high | 81.9 | Confident | 156 Ų | 156 | 116.3 Ų | 116.3 | 73% | 0.729 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -69.5 | -46.6 | 179.3 | -175 | 169.3 | -164.6 | 0 | 0 | 111.2 | T54 L58 E59 E60 | T54-E56 PolarHBondContact O-N 3.32Å; E56-L58 VanDerWaalsContact C-N 3.29Å; E56-L58 PolarHBondContact O-N 3.44Å; E56-E59 PolarHBondContact O-N 3.19Å; E56-E60 PolarHBondContact O-N 3.48Å |
| 57 | E | 87.5 | Confident | 80.6 | Confident | 94 Ų | 94 | 126 Ų | 126 | 44% | 0.439 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -62.5 | -37.5 | 175.5 | -68.6 | 164.8 | 130.7 | 0 | 0 | 112 | F53 T54 E60 L61 | F53-E57 HydrophobicContact CB-CB 4.49Å; F53-E57 HydrophobicContact CD1-CB 4.03Å; T54-E57 WeakPolarHBondContact CB-OE2 3.34Å; T54-E57 WeakPolarHBondContact CG2-OE2 3.37Å; T54-E57 PolarHBondContact N-OE2 3.13Å; T54-E57 PolarHBondContact O-N 3.28Å; T54-E57 VanDerWaalsContact OG1-CD 3.29Å; T54-E57 VanDerWaalsContact OG1-CG 3.29Å; T54-E57 WeakPolarHBondContact OG1-CG 3.38Å; T54-E57 PolarHBondContact OG1-N 3.02Å; T54-E57 PolarHBondContact OG1-OE2 3.43Å; E57-E60 PolarHBondContact O-N 2.92Å; E57-L61 WeakPolarHBondContact O-CB 3.39Å; E57-L61 PolarHBondContact O-N 3.1Å |
| 58 | L | 84.7 | Confident | 79.4 | Confident | 49 Ų | 49 | 124.2 Ų | 124.2 | 26% | 0.257 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -65.1 | -43.5 | 176.1 | -178.1 | 64.1 | 0 | 0 | 0 | 111.7 | W2 T54 E56 L61 M62 | W2-L58 HydrophobicContact CH2-CD2 3.85Å; W2-L58 HydrophobicContact CZ2-CD2 3.77Å; T54-L58 PolarHBondContact O-N 3.07Å; E56-L58 VanDerWaalsContact C-N 3.29Å; E56-L58 PolarHBondContact O-N 3.44Å; L58-L61 PolarHBondContact O-N 3.24Å; L58-M62 VanDerWaalsContact O-CG 3.31Å; L58-M62 WeakPolarHBondContact O-CG 3.31Å; L58-M62 PolarHBondContact O-N 3.42Å; L58-M62 VanDerWaalsContact O-N 3.07Å |
| 59 | E | 86.1 | Confident | 78.4 | Confident | 141 Ų | 141 | 125.8 Ų | 125.8 | 66% | 0.659 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -60.5 | -44.9 | 173.7 | -96 | -171.1 | 163.2 | 0 | 0 | 111.4 | N55 E56 L61 M62 Q63 | N55-E59 PolarHBondContact O-N 3.36Å; E56-E59 PolarHBondContact O-N 3.19Å; E59-L61 PolarHBondContact O-N 3.18Å; E59-M62 PolarHBondContact O-N 3.1Å; E59-Q63 WeakPolarHBondContact O-CG 3.33Å; E59-Q63 PolarHBondContact O-N 2.83Å; E59-Q63 VanDerWaalsContact O-N 3.1Å |
| 60 | E | 88.5 | Confident | 77.3 | Confident | 133 Ų | 133 | 126.9 Ų | 126.9 | 62% | 0.621 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -62.7 | -41.4 | 178.6 | -171.2 | 177.9 | 173.7 | 0 | 0 | 112.2 | E56 E57 M62 Q63 S64 | E56-E60 PolarHBondContact O-N 3.48Å; E57-E60 PolarHBondContact O-N 2.92Å; E60-M62 VanDerWaalsContact C-N 3.32Å; E60-M62 PolarHBondContact O-N 2.77Å; E60-Q63 PolarHBondContact O-N 2.77Å; E60-S64 PolarHBondContact O-N 3.06Å; E60-S64 PolarHBondContact O-OG 3.47Å; E60-S64 VanDerWaalsContact O-OG 3.09Å |
| 61 | L | 83.1 | Confident | 76.3 | Confident | 101 Ų | 101 | 127 Ų | 127 | 53% | 0.529 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -61.4 | -41.5 | 175.9 | -175.3 | 69 | 0 | 0 | 0 | 111.5 | E57 L58 E59 Q63 S64 | E57-L61 WeakPolarHBondContact O-CB 3.39Å; E57-L61 PolarHBondContact O-N 3.1Å; L58-L61 PolarHBondContact O-N 3.24Å; E59-L61 PolarHBondContact O-N 3.18Å; L61-Q63 VanDerWaalsContact C-N 3.27Å; L61-Q63 PolarHBondContact O-N 3.09Å; L61-S64 PolarHBondContact O-N 2.93Å |
| 62 | M | 82.6 | Confident | 75.4 | Confident | 138 Ų | 138 | 126 Ų | 126 | 68% | 0.68 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -68.3 | -25.8 | 177.6 | -71.6 | -176.3 | 67.6 | 0 | 0 | 113.2 | L58 E59 E60 | L58-M62 VanDerWaalsContact O-CG 3.31Å; L58-M62 WeakPolarHBondContact O-CG 3.31Å; L58-M62 PolarHBondContact O-N 3.42Å; L58-M62 VanDerWaalsContact O-N 3.07Å; E59-M62 PolarHBondContact O-N 3.1Å; E60-M62 VanDerWaalsContact C-N 3.32Å; E60-M62 PolarHBondContact O-N 2.77Å |
| 63 | Q | 82.2 | Confident | 74.9 | Confident | 156 Ų | 156 | 129 Ų | 129 | 73% | 0.729 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -89.1 | -19.4 | 176.7 | -63.5 | -59.8 | -32.9 | 0 | 0 | 113.2 | E59 E60 L61 | E59-Q63 WeakPolarHBondContact O-CG 3.33Å; E59-Q63 PolarHBondContact O-N 2.83Å; E59-Q63 VanDerWaalsContact O-N 3.1Å; E60-Q63 PolarHBondContact O-N 2.77Å; L61-Q63 VanDerWaalsContact C-N 3.27Å; L61-Q63 PolarHBondContact O-N 3.09Å |
| 64 | S | 76 | Confident | 74.2 | Confident | 61 Ų | 61 | 130.5 Ų | 130.5 | 43% | 0.427 | 66% | 0.663 | S | S | . | * | S | Bend | trans | -60.3 | 126.2 | 177.3 | -73.7 | 0 | 0 | 0 | 0 | 108.9 | E60 L61 M66 | E60-S64 PolarHBondContact O-N 3.06Å; E60-S64 PolarHBondContact O-OG 3.47Å; E60-S64 VanDerWaalsContact O-OG 3.09Å; L61-S64 PolarHBondContact O-N 2.93Å; S64-M66 PolarHBondContact O-N 3.2Å |
| 65 | P | 68.9 | Low | 73.3 | Confident | 120 Ų | 120 | 134.2 Ų | 134.2 | 78% | 0.779 | 68% | 0.68 | S | S | * | * | trans | -57.1 | 110 | 172.6 | -14.9 | 26.2 | 0 | 0 | 0 | 105.8 | R67 | P65-R67 VanDerWaalsContact C-N 3.28Å; P65-R67 PolarHBondContact O-N 2.99Å | ||
| 66 | M | 65.2 | Low | 72.4 | Confident | 181 Ų | 181 | 133.2 Ų | 133.2 | 89% | 0.892 | 68% | 0.679 | S | S | * | * | trans | -54.4 | 107.1 | 170.8 | -165.5 | 132.2 | -170.7 | 0 | 0 | 103.7 | S64 S68 | S64-M66 PolarHBondContact O-N 3.2Å; M66-S68 PolarHBondContact O-N 3.35Å | ||
| 67 | R | 57.4 | Low | 71.7 | Confident | 220 Ų | 220 | 128.7 Ų | 128.7 | 83% | 0.83 | 67% | 0.674 | S | S | * | * | trans | -53.9 | 98.8 | -169.8 | -176.1 | 179.2 | 178.8 | 160.6 | -1.8 | 105.1 | P65 D69 | P65-R67 VanDerWaalsContact C-N 3.28Å; P65-R67 PolarHBondContact O-N 2.99Å; R67-D69 PolarHBondContact O-N 2.89Å | ||
| 68 | S | 58.7 | Low | 70.4 | Confident | 86 Ų | 86 | 132.6 Ų | 132.6 | 60% | 0.601 | 72% | 0.722 | S | S | * | * | trans | -64.8 | 112.6 | -176.5 | -172.3 | 0 | 0 | 0 | 0 | 102.9 | M66 D70 | M66-S68 PolarHBondContact O-N 3.35Å; S68-D70 PolarHBondContact O-N 3.48Å; S68-D70 WeakPolarHBondContact OG-CB 3.48Å | ||
| 69 | D | 61.5 | Low | 69.7 | Low | 148 Ų | 148 | 136.8 Ų | 136.8 | 79% | 0.791 | 75% | 0.746 | S | S | * | * | trans | -68.2 | 55.7 | 167 | -77.7 | -30.8 | 0 | 0 | 0 | 108.1 | R67 D71 | R67-D69 PolarHBondContact O-N 2.89Å; D69-D71 PolarHBondContact O-N 3.01Å | ||
| 70 | D | 58.5 | Low | 68.8 | Low | 108 Ų | 108 | 136.5 Ų | 136.5 | 58% | 0.578 | 75% | 0.75 | S | S | * | * | trans | -93.3 | 31.2 | 172.6 | -119.4 | -2.5 | 0 | 0 | 0 | 109.5 | S68 I72 | S68-D70 PolarHBondContact O-N 3.48Å; S68-D70 WeakPolarHBondContact OG-CB 3.48Å; D70-I72 PolarHBondContact O-N 2.87Å; D70-I72 VanDerWaalsContact OD1-CD1 3.26Å; D70-I72 WeakPolarHBondContact OD1-CD1 3.36Å; D70-I72 WeakPolarHBondContact OD1-CG1 3.26Å | ||
| 71 | D | 58.8 | Low | 67.7 | Low | 154 Ų | 154 | 136.7 Ų | 136.7 | 82% | 0.824 | 76% | 0.757 | S | S | * | * | trans | -73.3 | 63.3 | 151.2 | -72.2 | -30.8 | 0 | 0 | 0 | 107.1 | D69 M73 | D69-D71 PolarHBondContact O-N 3.01Å; D71-M73 PolarHBondContact O-N 2.96Å | ||
| 72 | I | 61.5 | Low | 66.8 | Low | 130 Ų | 130 | 138.8 Ų | 138.8 | 67% | 0.667 | 77% | 0.771 | S | S | * | * | trans | -54.4 | 108.9 | 163.5 | -70.1 | 173.9 | 0 | 0 | 0 | 105.2 | D70 E74 | D70-I72 PolarHBondContact O-N 2.87Å; D70-I72 VanDerWaalsContact OD1-CD1 3.26Å; D70-I72 WeakPolarHBondContact OD1-CD1 3.36Å; D70-I72 WeakPolarHBondContact OD1-CG1 3.26Å; I72-E74 PolarHBondContact O-N 2.65Å | ||
| 73 | M | 65.9 | Low | 65.9 | Low | 174 Ų | 174 | 138.9 Ų | 138.9 | 86% | 0.857 | 78% | 0.776 | S | S | * | * | trans | -54.2 | 112.6 | 171.6 | -65.4 | -130.2 | -64.5 | 0 | 0 | 107.9 | D71 D75 | D71-M73 PolarHBondContact O-N 2.96Å; M73-D75 VanDerWaalsContact C-N 3.32Å; M73-D75 PolarHBondContact O-N 2.81Å | ||
| 74 | E | 65.2 | Low | 64.8 | Low | 174 Ų | 174 | 137.7 Ų | 137.7 | 81% | 0.813 | 78% | 0.78 | S | S | * | * | trans | -61.4 | 100.2 | 170.7 | -167.3 | 176.5 | -173.9 | 0 | 0 | 106.5 | I72 T76 | I72-E74 PolarHBondContact O-N 2.65Å; E74-T76 PolarHBondContact O-N 2.73Å | ||
| 75 | D | 68.7 | Low | 64 | Low | 150 Ų | 150 | 143.2 Ų | 143.2 | 80% | 0.802 | 81% | 0.805 | S | S | * | * | trans | -60.9 | 90.3 | 172.4 | -176.9 | 43.6 | 0 | 0 | 0 | 107.5 | M73 G77 | M73-D75 VanDerWaalsContact C-N 3.32Å; M73-D75 PolarHBondContact O-N 2.81Å; D75-G77 PolarHBondContact O-N 3.34Å | ||
| 76 | T | 69.9 | Low | 63.6 | Low | 124 Ų | 124 | 145 Ų | 145 | 76% | 0.761 | 81% | 0.807 | S | S | * | * | trans | -69.8 | 80.9 | 166.5 | 47.7 | 0 | 0 | 0 | 0 | 107.4 | E74 A78 | E74-T76 PolarHBondContact O-N 2.73Å; T76-A78 PolarHBondContact O-N 2.82Å | ||
| 77 | G | 74.1 | Confident | 63.5 | Low | 60 Ų | 60 | 142 Ų | 142 | 62% | 0.619 | 80% | 0.8 | S | S | * | * | trans | -54.5 | 125.4 | 170.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | D75 | D75-G77 PolarHBondContact O-N 3.34Š| ||
| 78 | A | 61.5 | Low | 64 | Low | 176 Ų | 176 | 134.9 Ų | 134.9 | 100% | 1.455 | 80% | 0.797 | S | S | * | * | trans | -14.2 | 0 | 168 | 0 | 0 | 0 | 0 | 0 | 118.9 | T76 | T76-A78 PolarHBondContact O-N 2.82Š|
Retrieved 78 of 78 residues in 48.8 ms
(Link to these results)