| 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 | 55.4 | Low | 68.4 | Low | 197 Ų | 197 | 111.2 Ų | 111.2 | 97% | 0.97 | 58% | 0.584 | S | S | * | * | 0 | 114.2 | 0 | -65 | 167.6 | 72.9 | 0 | 0 | 106.9 | E5 | M1-E5 VanDerWaalsContact C-OE2 3.23Å; M1-E5 WeakPolarHBondContact CA-OE2 3.49Å | |||
| 2 | S | 67.4 | Low | 68.9 | Low | 75 Ų | 75 | 115.2 Ų | 115.2 | 52% | 0.524 | 59% | 0.585 | S | S | . | * | trans | -73.9 | 154.1 | -176.5 | -178.9 | 0 | 0 | 0 | 0 | 110.7 | A4 E5 | S2-A4 PolarHBondContact O-N 2.84Å; S2-A4 VanDerWaalsContact O-N 3.11Å; S2-E5 PolarHBondContact N-OE2 2.95Å; S2-E5 WeakPolarHBondContact O-CB 3.39Å; S2-E5 PolarHBondContact O-N 3.37Å | ||
| 3 | S | 68.9 | Low | 69.6 | Low | 92 Ų | 92 | 114.8 Ų | 114.8 | 64% | 0.643 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -52.4 | -34.9 | 176.5 | -60.1 | 0 | 0 | 0 | 0 | 113.1 | E5 N6 E7 | S3-E5 VanDerWaalsContact C-N 3.28Å; S3-E5 PolarHBondContact O-N 2.77Å; S3-N6 PolarHBondContact O-N 3.46Å; S3-E7 PolarHBondContact O-N 2.84Å |
| 4 | A | 71.7 | Confident | 70.7 | Confident | 50 Ų | 50 | 111.6 Ų | 111.6 | 41% | 0.413 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -63.9 | -30.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | S2 Q8 | S2-A4 PolarHBondContact O-N 2.84Å; S2-A4 VanDerWaalsContact O-N 3.11Å; A4-Q8 WeakPolarHBondContact O-CG 3.49Å; A4-Q8 PolarHBondContact O-N 3.06Å |
| 5 | E | 69.6 | Low | 71.6 | Confident | 107 Ų | 107 | 109.9 Ų | 109.9 | 50% | 0.5 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -71.3 | -35.2 | 177 | -64.3 | 176 | 132.8 | 0 | 0 | 111.1 | M1 S2 S3 Q9 | M1-E5 VanDerWaalsContact C-OE2 3.23Å; M1-E5 WeakPolarHBondContact CA-OE2 3.49Å; S2-E5 PolarHBondContact N-OE2 2.95Å; S2-E5 WeakPolarHBondContact O-CB 3.39Å; S2-E5 PolarHBondContact O-N 3.37Å; S3-E5 VanDerWaalsContact C-N 3.28Å; S3-E5 PolarHBondContact O-N 2.77Å; E5-Q9 WeakPolarHBondContact O-CB 3.33Å; E5-Q9 PolarHBondContact O-N 3.46Å; E5-Q9 VanDerWaalsContact O-N 3.09Å |
| 6 | N | 69 | Low | 72.6 | Confident | 95 Ų | 95 | 105.4 Ų | 105.4 | 51% | 0.508 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -68.2 | -42.1 | 176.6 | -68.1 | -14.8 | 0 | 0 | 0 | 111.9 | S3 Q9 D10 | S3-N6 PolarHBondContact O-N 3.46Å; N6-Q9 PolarHBondContact O-N 3.1Å; N6-D10 PolarHBondContact O-N 3.45Å |
| 7 | E | 71.2 | Confident | 73.4 | Confident | 146 Ų | 146 | 107.7 Ų | 107.7 | 68% | 0.682 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -64.4 | -40.6 | 177.1 | -71.1 | 178.7 | 169.3 | 0 | 0 | 111.9 | S3 Q9 F11 | S3-E7 PolarHBondContact O-N 2.84Å; E7-Q9 VanDerWaalsContact C-N 3.32Å; E7-Q9 PolarHBondContact O-N 2.85Å; E7-F11 WeakPolarHBondContact O-CB 3.31Å; E7-F11 PolarHBondContact O-N 2.93Å |
| 8 | Q | 65.9 | Low | 74.4 | Confident | 120 Ų | 120 | 105.4 Ų | 105.4 | 56% | 0.561 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -65.4 | -36.2 | 175.9 | -73.4 | -171.8 | 18.6 | 0 | 0 | 112.4 | A4 R12 | A4-Q8 WeakPolarHBondContact O-CG 3.49Å; A4-Q8 PolarHBondContact O-N 3.06Å; Q8-R12 WeakPolarHBondContact O-CB 3.34Å; Q8-R12 VanDerWaalsContact O-CG 3.3Å; Q8-R12 WeakPolarHBondContact O-CG 3.32Å; Q8-R12 PolarHBondContact O-N 3.33Å |
| 9 | Q | 62.5 | Low | 75.1 | Confident | 100 Ų | 100 | 103.4 Ų | 103.4 | 47% | 0.467 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -67.6 | -48.4 | 178.1 | -175.9 | 63 | 19.8 | 0 | 0 | 111.6 | E5 N6 E7 F11 R12 E13 | E5-Q9 WeakPolarHBondContact O-CB 3.33Å; E5-Q9 PolarHBondContact O-N 3.46Å; E5-Q9 VanDerWaalsContact O-N 3.09Å; N6-Q9 PolarHBondContact O-N 3.1Å; E7-Q9 VanDerWaalsContact C-N 3.32Å; E7-Q9 PolarHBondContact O-N 2.85Å; Q9-F11 VanDerWaalsContact C-N 3.32Å; Q9-F11 PolarHBondContact O-N 3.13Å; Q9-R12 PolarHBondContact O-N 3.27Å; Q9-E13 WeakPolarHBondContact CG-OE1 3.16Å; Q9-E13 PolarHBondContact NE2-OE1 3.35Å; Q9-E13 WeakPolarHBondContact O-CG 3.48Å; Q9-E13 PolarHBondContact O-N 2.72Å |
| 10 | D | 74.9 | Confident | 75.9 | Confident | 103 Ų | 103 | 100.6 Ų | 100.6 | 55% | 0.551 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -60 | -42.2 | 176.5 | -177.6 | 50.6 | 0 | 0 | 0 | 111.6 | N6 R12 E13 T14 | N6-D10 PolarHBondContact O-N 3.45Å; D10-R12 PolarHBondContact O-N 3.26Å; D10-E13 PolarHBondContact O-N 3.36Å; D10-T14 WeakPolarHBondContact O-CG2 3.35Å; D10-T14 PolarHBondContact O-N 3.2Å; D10-T14 PolarHBondContact O-OG1 3.48Å; D10-T14 VanDerWaalsContact O-OG1 3.08Å |
| 11 | F | 75.7 | Confident | 76.7 | Confident | 138 Ų | 138 | 98.5 Ų | 98.5 | 61% | 0.605 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -62.7 | -42.5 | 175.2 | -173.9 | -95.3 | 0 | 0 | 0 | 112.6 | E7 Q9 T14 E15 | E7-F11 WeakPolarHBondContact O-CB 3.31Å; E7-F11 PolarHBondContact O-N 2.93Å; Q9-F11 VanDerWaalsContact C-N 3.32Å; Q9-F11 PolarHBondContact O-N 3.13Å; F11-T14 WeakPolarHBondContact CA-OG1 3.45Å; F11-T14 PolarHBondContact O-N 3Å; F11-T14 PolarHBondContact O-OG1 2.94Å; F11-E15 PolarHBondContact O-N 3.22Å |
| 12 | R | 74.5 | Confident | 78.5 | Confident | 159 Ų | 159 | 96.3 Ų | 96.3 | 60% | 0.6 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -64.7 | -42.9 | 176.3 | -77.7 | 179.1 | -178.6 | -156 | 2.3 | 111.8 | Q8 Q9 D10 T14 E15 V16 | Q8-R12 WeakPolarHBondContact O-CB 3.34Å; Q8-R12 VanDerWaalsContact O-CG 3.3Å; Q8-R12 WeakPolarHBondContact O-CG 3.32Å; Q8-R12 PolarHBondContact O-N 3.33Å; Q9-R12 PolarHBondContact O-N 3.27Å; D10-R12 PolarHBondContact O-N 3.26Å; R12-T14 VanDerWaalsContact C-N 3.34Å; R12-T14 PolarHBondContact O-N 3.41Å; R12-E15 PolarHBondContact O-N 3.22Å; R12-V16 WeakPolarHBondContact O-CB 3.4Å; R12-V16 WeakPolarHBondContact O-CG2 3.4Å; R12-V16 PolarHBondContact O-N 2.95Å |
| 13 | E | 77.6 | Confident | 79.7 | Confident | 110 Ų | 110 | 94 Ų | 94 | 51% | 0.514 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -61.2 | -43.6 | 178.7 | -75.2 | 177.3 | -165.5 | 0 | 0 | 111.3 | Q9 D10 Y17 | Q9-E13 WeakPolarHBondContact CG-OE1 3.16Å; Q9-E13 PolarHBondContact NE2-OE1 3.35Å; Q9-E13 WeakPolarHBondContact O-CG 3.48Å; Q9-E13 PolarHBondContact O-N 2.72Å; D10-E13 PolarHBondContact O-N 3.36Å; E13-Y17 WeakPolarHBondContact O-CB 3.41Å; E13-Y17 PolarHBondContact O-N 3.11Å |
| 14 | T | 85.1 | Confident | 80.9 | Confident | 71 Ų | 71 | 91.3 Ų | 91.3 | 44% | 0.436 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -65.9 | -38.8 | 176.7 | 54 | 0 | 0 | 0 | 0 | 112.9 | D10 F11 R12 S18 | D10-T14 WeakPolarHBondContact O-CG2 3.35Å; D10-T14 PolarHBondContact O-N 3.2Å; D10-T14 PolarHBondContact O-OG1 3.48Å; D10-T14 VanDerWaalsContact O-OG1 3.08Å; F11-T14 WeakPolarHBondContact CA-OG1 3.45Å; F11-T14 PolarHBondContact O-N 3Å; F11-T14 PolarHBondContact O-OG1 2.94Å; R12-T14 VanDerWaalsContact C-N 3.34Å; R12-T14 PolarHBondContact O-N 3.41Å; T14-S18 VanDerWaalsContact O-CB 3.31Å; T14-S18 WeakPolarHBondContact O-CB 3.33Å; T14-S18 PolarHBondContact O-N 3.04Å |
| 15 | E | 85.2 | Confident | 82 | Confident | 86 Ų | 86 | 97.5 Ų | 97.5 | 40% | 0.402 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -68.3 | -47.5 | 177.5 | -165.8 | -168.3 | 159.8 | 0 | 0 | 112 | F11 R12 S18 K19 | F11-E15 PolarHBondContact O-N 3.22Å; R12-E15 PolarHBondContact O-N 3.22Å; E15-S18 WeakPolarHBondContact O-CB 3.28Å; E15-S18 PolarHBondContact O-N 3.02Å; E15-K19 WeakPolarHBondContact O-CG 3.48Å; E15-K19 PolarHBondContact O-N 3.05Å; E15-K19 WeakPolarHBondContact OE1-CE 3.4Å; E15-K19 IonicContact OE1-NZ 3.55Å; E15-K19 PolarHBondContact OE1-NZ 3.34Å |
| 16 | V | 86.7 | Confident | 83.2 | Confident | 38 Ų | 38 | 98.4 Ų | 98.4 | 23% | 0.23 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -61.6 | -47.7 | 177 | 173.6 | 0 | 0 | 0 | 0 | 109.6 | R12 S18 K19 M20 F86 | R12-V16 WeakPolarHBondContact O-CB 3.4Å; R12-V16 WeakPolarHBondContact O-CG2 3.4Å; R12-V16 PolarHBondContact O-N 2.95Å; V16-S18 VanDerWaalsContact C-N 3.31Å; V16-S18 PolarHBondContact O-N 3.41Å; V16-K19 WeakPolarHBondContact O-CA 3.48Å; V16-K19 WeakPolarHBondContact O-CB 3.24Å; V16-K19 PolarHBondContact O-N 3.39Å; V16-M20 HydrophobicContact CG1-CG 4.19Å; V16-M20 HydrophobicContact CG1-SD 4.05Å; V16-M20 VanDerWaalsContact O-CG 3.26Å; V16-M20 WeakPolarHBondContact O-CG 2.94Å; V16-M20 PolarHBondContact O-N 3.31Å; V16-F86 HydrophobicContact CG1-CE1 4.07Å; V16-F86 HydrophobicContact CG1-CZ 4.25Å |
| 17 | Y | 86.9 | Confident | 84.4 | Confident | 144 Ų | 144 | 94.5 Ų | 94.5 | 57% | 0.565 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -56.9 | -43.1 | 177.1 | -179 | -106.6 | 0 | 0 | 0 | 112.4 | E13 K19 M20 L21 | E13-Y17 WeakPolarHBondContact O-CB 3.41Å; E13-Y17 PolarHBondContact O-N 3.11Å; Y17-K19 PolarHBondContact O-N 2.93Å; Y17-M20 WeakPolarHBondContact O-CB 3.13Å; Y17-M20 PolarHBondContact O-N 3.07Å; Y17-L21 HydrophobicContact CD1-CD1 3.97Å; Y17-L21 HydrophobicContact CD1-CG 4.38Å; Y17-L21 HydrophobicContact CE1-CD1 3.38Å; Y17-L21 HydrophobicContact CE1-CG 4.01Å; Y17-L21 HydrophobicContact CE2-CD1 4.5Å; Y17-L21 HydrophobicContact CE2-CD2 4.4Å; Y17-L21 HydrophobicContact CE2-CG 4.31Å; Y17-L21 WeakPolarHBondContact O-CG 3.32Å; Y17-L21 PolarHBondContact O-N 3.31Å |
| 18 | S | 90.2 | Very high | 85.5 | Confident | 67 Ų | 67 | 88.8 Ų | 88.8 | 47% | 0.469 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -61.1 | -42.7 | 175 | -178.8 | 0 | 0 | 0 | 0 | 112.4 | T14 E15 V16 L21 R22 | T14-S18 VanDerWaalsContact O-CB 3.31Å; T14-S18 WeakPolarHBondContact O-CB 3.33Å; T14-S18 PolarHBondContact O-N 3.04Å; E15-S18 WeakPolarHBondContact O-CB 3.28Å; E15-S18 PolarHBondContact O-N 3.02Å; V16-S18 VanDerWaalsContact C-N 3.31Å; V16-S18 PolarHBondContact O-N 3.41Å; S18-L21 PolarHBondContact O-N 2.8Å; S18-R22 WeakPolarHBondContact O-CB 3.32Å; S18-R22 PolarHBondContact O-N 2.92Å |
| 19 | K | 89.1 | Confident | 87 | Confident | 67 Ų | 67 | 88.7 Ų | 88.7 | 29% | 0.291 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -62.4 | -44.9 | 174.4 | -69.6 | 172.8 | -179.3 | 167.9 | 0 | 111.3 | E15 V16 Y17 L21 R22 V23 L85 | E15-K19 WeakPolarHBondContact O-CG 3.48Å; E15-K19 PolarHBondContact O-N 3.05Å; E15-K19 WeakPolarHBondContact OE1-CE 3.4Å; E15-K19 IonicContact OE1-NZ 3.55Å; E15-K19 PolarHBondContact OE1-NZ 3.34Å; V16-K19 WeakPolarHBondContact O-CA 3.48Å; V16-K19 WeakPolarHBondContact O-CB 3.24Å; V16-K19 PolarHBondContact O-N 3.39Å; Y17-K19 PolarHBondContact O-N 2.93Å; K19-L21 PolarHBondContact O-N 2.85Å; K19-R22 PolarHBondContact O-N 2.91Å; K19-V23 WeakPolarHBondContact O-CG2 3.38Å; K19-V23 PolarHBondContact O-N 2.9Å; K19-L85 HydrophobicContact CB-CD1 4.19Å; K19-L85 HydrophobicContact CB-CD2 4.08Å |
| 20 | M | 91.2 | Very high | 88.5 | Confident | 47 Ų | 47 | 89.7 Ų | 89.7 | 23% | 0.232 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -59.1 | -48 | 177.5 | -65 | 176 | 75.8 | 0 | 0 | 111.6 | V16 Y17 R22 V23 T24 L82 L85 F86 | V16-M20 HydrophobicContact CG1-CG 4.19Å; V16-M20 HydrophobicContact CG1-SD 4.05Å; V16-M20 VanDerWaalsContact O-CG 3.26Å; V16-M20 WeakPolarHBondContact O-CG 2.94Å; V16-M20 PolarHBondContact O-N 3.31Å; Y17-M20 WeakPolarHBondContact O-CB 3.13Å; Y17-M20 PolarHBondContact O-N 3.07Å; M20-R22 VanDerWaalsContact C-N 3.32Å; M20-R22 PolarHBondContact O-N 3.37Å; M20-V23 PolarHBondContact O-N 3.01Å; M20-T24 WeakPolarHBondContact O-CB 3.49Å; M20-T24 PolarHBondContact O-N 3.41Å; M20-T24 PolarHBondContact O-OG1 3.16Å; M20-L82 HydrophobicContact CB-CD2 3.66Å; M20-L82 HydrophobicContact CE-CD1 4.19Å; M20-L82 HydrophobicContact CE-CD2 3.98Å; M20-L82 HydrophobicContact CG-CD2 3.73Å; M20-L85 HydrophobicContact CB-CD1 4.15Å; M20-L85 HydrophobicContact CG-CD1 3.56Å; M20-F86 HydrophobicContact CE-CE2 4.27Å; M20-F86 HydrophobicContact CE-CZ 4.22Å; M20-F86 HydrophobicContact SD-CE2 4.4Å; M20-F86 HydrophobicContact SD-CZ 3.99Å |
| 21 | L | 91.7 | Very high | 89.5 | Confident | 57 Ų | 57 | 86.3 Ų | 86.3 | 30% | 0.298 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -61.4 | -40.5 | 177.3 | -73.2 | -176.5 | 0 | 0 | 0 | 112 | Y17 S18 K19 T24 R25 | Y17-L21 HydrophobicContact CD1-CD1 3.97Å; Y17-L21 HydrophobicContact CD1-CG 4.38Å; Y17-L21 HydrophobicContact CE1-CD1 3.38Å; Y17-L21 HydrophobicContact CE1-CG 4.01Å; Y17-L21 HydrophobicContact CE2-CD1 4.5Å; Y17-L21 HydrophobicContact CE2-CD2 4.4Å; Y17-L21 HydrophobicContact CE2-CG 4.31Å; Y17-L21 WeakPolarHBondContact O-CG 3.32Å; Y17-L21 PolarHBondContact O-N 3.31Å; S18-L21 PolarHBondContact O-N 2.8Å; K19-L21 PolarHBondContact O-N 2.85Å; L21-T24 PolarHBondContact O-N 3.2Å; L21-R25 WeakPolarHBondContact O-CB 3.5Å; L21-R25 VanDerWaalsContact O-CG 3.3Å; L21-R25 WeakPolarHBondContact O-CG 3.31Å; L21-R25 PolarHBondContact O-N 2.92Å |
| 22 | R | 94.1 | Very high | 90.5 | Very high | 150 Ų | 150 | 80.5 Ų | 80.5 | 57% | 0.566 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -63.3 | -47 | 178.2 | -174.9 | 176.8 | 65.1 | -121.8 | 2.7 | 111.6 | S18 K19 M20 R25 K26 | S18-R22 WeakPolarHBondContact O-CB 3.32Å; S18-R22 PolarHBondContact O-N 2.92Å; K19-R22 PolarHBondContact O-N 2.91Å; M20-R22 VanDerWaalsContact C-N 3.32Å; M20-R22 PolarHBondContact O-N 3.37Å; R22-R25 PolarHBondContact O-N 2.85Å; R22-K26 WeakPolarHBondContact O-CB 3.24Å; R22-K26 PolarHBondContact O-N 3.48Å |
| 23 | V | 92.9 | Very high | 91.5 | Very high | 28 Ų | 28 | 75.9 Ų | 75.9 | 17% | 0.17 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -60.5 | -46.9 | 176.1 | 170.9 | 0 | 0 | 0 | 0 | 110.7 | K19 M20 R25 K26 L27 L78 R81 L85 | K19-V23 WeakPolarHBondContact O-CG2 3.38Å; K19-V23 PolarHBondContact O-N 2.9Å; M20-V23 PolarHBondContact O-N 3.01Å; V23-R25 PolarHBondContact O-N 3.42Å; V23-K26 PolarHBondContact O-N 2.99Å; V23-L27 HydrophobicContact CG1-CD1 4.4Å; V23-L27 PolarHBondContact O-N 2.76Å; V23-L78 HydrophobicContact CG1-CD1 4.28Å; V23-R81 HydrophobicContact CG1-CB 3.69Å; V23-R81 HydrophobicContact CG1-CG 4.45Å; V23-L85 HydrophobicContact CG2-CD1 4.42Å |
| 24 | T | 93 | Very high | 92.4 | Very high | 34 Ų | 34 | 73.4 Ų | 73.4 | 21% | 0.209 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -58.7 | -50.1 | 178.9 | -53.7 | 0 | 0 | 0 | 0 | 111.6 | M20 L21 K26 L27 L28 L78 | M20-T24 WeakPolarHBondContact O-CB 3.49Å; M20-T24 PolarHBondContact O-N 3.41Å; M20-T24 PolarHBondContact O-OG1 3.16Å; L21-T24 PolarHBondContact O-N 3.2Å; T24-K26 VanDerWaalsContact C-N 3.33Å; T24-K26 PolarHBondContact O-N 3.23Å; T24-L27 PolarHBondContact O-N 2.95Å; T24-L28 HydrophobicContact CG2-CD1 3.98Å; T24-L28 HydrophobicContact CG2-CG 4.41Å; T24-L28 VanDerWaalsContact O-CG 3.32Å; T24-L28 WeakPolarHBondContact O-CG 3.41Å; T24-L28 PolarHBondContact O-N 3.36Å; T24-L78 HydrophobicContact CG2-CD1 4.29Å; T24-L78 HydrophobicContact CG2-CD2 4.03Å; T24-L78 WeakPolarHBondContact OG1-CD1 3.34Å |
| 25 | R | 94.1 | Very high | 93 | Very high | 180 Ų | 180 | 76.4 Ų | 76.4 | 68% | 0.679 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -60.9 | -41.8 | 179.5 | -75 | 176.9 | -171.9 | 169.8 | 3.7 | 112.1 | L21 R22 V23 L28 H29 | L21-R25 WeakPolarHBondContact O-CB 3.5Å; L21-R25 VanDerWaalsContact O-CG 3.3Å; L21-R25 WeakPolarHBondContact O-CG 3.31Å; L21-R25 PolarHBondContact O-N 2.92Å; R22-R25 PolarHBondContact O-N 2.85Å; V23-R25 PolarHBondContact O-N 3.42Å; R25-L28 PolarHBondContact O-N 3.26Å; R25-H29 WeakPolarHBondContact O-CB 3.45Å; R25-H29 PolarHBondContact O-N 3.39Å |
| 26 | K | 95.1 | Very high | 93.6 | Very high | 126 Ų | 126 | 76.7 Ų | 76.7 | 55% | 0.548 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -61.1 | -50.2 | 178 | -178.3 | 178.3 | 172.6 | -178.6 | 0 | 111.3 | R22 V23 T24 L28 H29 E30 | R22-K26 WeakPolarHBondContact O-CB 3.24Å; R22-K26 PolarHBondContact O-N 3.48Å; V23-K26 PolarHBondContact O-N 2.99Å; T24-K26 VanDerWaalsContact C-N 3.33Å; T24-K26 PolarHBondContact O-N 3.23Å; K26-L28 PolarHBondContact O-N 3.41Å; K26-H29 PolarHBondContact O-N 3.12Å; K26-E30 WeakPolarHBondContact CE-OE1 3.38Å; K26-E30 HydrophobicContact CG-CG 4.48Å; K26-E30 IonicContact NZ-OE1 2.69Å; K26-E30 WeakPolarHBondContact O-CG 3.26Å; K26-E30 PolarHBondContact O-N 3.32Å |
| 27 | L | 94.5 | Very high | 94.2 | Very high | 14 Ų | 14 | 76 Ų | 76 | 7% | 0.073 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -62.1 | -42.9 | 179 | -82.7 | 178.3 | 0 | 0 | 0 | 112.8 | V23 T24 H29 E30 S31 V74 D77 L78 | V23-L27 HydrophobicContact CG1-CD1 4.4Å; V23-L27 PolarHBondContact O-N 2.76Å; T24-L27 PolarHBondContact O-N 2.95Å; L27-H29 PolarHBondContact O-N 3.44Å; L27-E30 PolarHBondContact O-N 3.01Å; L27-S31 WeakPolarHBondContact O-CB 3.38Å; L27-S31 PolarHBondContact O-N 3.25Å; L27-S31 PolarHBondContact O-OG 3.47Å; L27-V74 HydrophobicContact CB-CG1 4.49Å; L27-D77 HydrophobicContact CD1-CB 4.45Å; L27-L78 HydrophobicContact CD1-CB 3.86Å; L27-L78 HydrophobicContact CD1-CD1 3.88Å |
| 28 | L | 95.7 | Very high | 94.7 | Very high | 26 Ų | 26 | 74.5 Ų | 74.5 | 14% | 0.136 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -62.2 | -44.6 | 177.2 | -69.5 | 176.8 | 0 | 0 | 0 | 111.1 | T24 R25 K26 S31 G32 W33 I70 V74 | T24-L28 HydrophobicContact CG2-CD1 3.98Å; T24-L28 HydrophobicContact CG2-CG 4.41Å; T24-L28 VanDerWaalsContact O-CG 3.32Å; T24-L28 WeakPolarHBondContact O-CG 3.41Å; T24-L28 PolarHBondContact O-N 3.36Å; R25-L28 PolarHBondContact O-N 3.26Å; K26-L28 PolarHBondContact O-N 3.41Å; L28-S31 PolarHBondContact O-N 2.79Å; L28-S31 PolarHBondContact O-OG 3.33Å; L28-G32 PolarHBondContact O-N 3.49Å; L28-W33 HydrophobicContact CB-CB 4.27Å; L28-W33 HydrophobicContact CB-CD2 4.29Å; L28-W33 HydrophobicContact CB-CE3 3.94Å; L28-W33 HydrophobicContact CB-CG 4.48Å; L28-W33 HydrophobicContact CD1-CD2 4.39Å; L28-W33 HydrophobicContact CD1-CE3 4.11Å; L28-W33 HydrophobicContact CD1-CZ3 4.19Å; L28-W33 HydrophobicContact CD2-CB 4.3Å; L28-W33 HydrophobicContact CD2-CD2 4.15Å; L28-W33 HydrophobicContact CD2-CG 4.04Å; L28-W33 HydrophobicContact CG-CE3 4.43Å; L28-W33 VanDerWaalsContact O-CB 3.28Å; L28-W33 WeakPolarHBondContact O-CB 3.21Å; L28-W33 PolarHBondContact O-N 3.09Å; L28-W33 VanDerWaalsContact O-N 3.12Å; L28-I70 HydrophobicContact CD2-CD1 4.08Å; L28-I70 HydrophobicContact CD2-CG1 4.04Å; L28-I70 HydrophobicContact CD2-CG2 4.27Å; L28-V74 HydrophobicContact CD2-CG1 4.3Å |
| 29 | H | 96 | Very high | 95.1 | Very high | 118 Ų | 118 | 76.4 Ų | 76.4 | 55% | 0.546 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -61 | -47.8 | 176 | 180 | 66.7 | 0 | 0 | 0 | 112.2 | R25 K26 L27 S31 G32 D34 | R25-H29 WeakPolarHBondContact O-CB 3.45Å; R25-H29 PolarHBondContact O-N 3.39Å; K26-H29 PolarHBondContact O-N 3.12Å; L27-H29 PolarHBondContact O-N 3.44Å; H29-S31 PolarHBondContact O-N 3.22Å; H29-G32 PolarHBondContact O-N 3.34Å; H29-D34 IonicContact CE1-OD2 2.74Å; H29-D34 IonicContact CG-OD2 3.8Å; H29-D34 IonicContact ND1-OD2 3.83Å; H29-D34 PolarHBondContact ND1-OD2 3.3Å |
| 30 | E | 95.2 | Very high | 95.5 | Very high | 121 Ų | 121 | 74 Ų | 74 | 57% | 0.565 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -62.7 | -26.5 | 178.7 | -72.3 | 173.5 | 169.7 | 0 | 0 | 112.8 | K26 L27 G32 | K26-E30 WeakPolarHBondContact CE-OE1 3.38Å; K26-E30 HydrophobicContact CG-CG 4.48Å; K26-E30 IonicContact NZ-OE1 2.69Å; K26-E30 WeakPolarHBondContact O-CG 3.26Å; K26-E30 PolarHBondContact O-N 3.32Å; L27-E30 PolarHBondContact O-N 3.01Å; E30-G32 VanDerWaalsContact C-N 3.27Å; E30-G32 PolarHBondContact O-N 3.23Å |
| 31 | S | 94.9 | Very high | 95.8 | Very high | 32 Ų | 32 | 73.2 Ų | 73.2 | 22% | 0.224 | 35% | 0.345 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80 | -2.8 | 174.8 | 77.4 | 0 | 0 | 0 | 0 | 114.8 | L27 L28 H29 W33 | L27-S31 WeakPolarHBondContact O-CB 3.38Å; L27-S31 PolarHBondContact O-N 3.25Å; L27-S31 PolarHBondContact O-OG 3.47Å; L28-S31 PolarHBondContact O-N 2.79Å; L28-S31 PolarHBondContact O-OG 3.33Å; H29-S31 PolarHBondContact O-N 3.22Å; S31-W33 PolarHBondContact O-N 3.3Å; S31-W33 WeakPolarHBondContact OG-CB 3.33Å; S31-W33 PolarHBondContact OG-N 2.71Å |
| 32 | G | 96.1 | Very high | 96.1 | Very high | 16 Ų | 16 | 74.8 Ų | 74.8 | 17% | 0.165 | 35% | 0.351 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 65.5 | 23.5 | -172.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | L28 H29 E30 K36 | L28-G32 PolarHBondContact O-N 3.49Å; H29-G32 PolarHBondContact O-N 3.34Å; E30-G32 VanDerWaalsContact C-N 3.27Å; E30-G32 PolarHBondContact O-N 3.23Å; G32-K36 WeakPolarHBondContact O-CG 3.48Å; G32-K36 PolarHBondContact O-N 3.37Å |
| 33 | W | 97 | Very high | 96.3 | Very high | 61 Ų | 61 | 72.1 Ų | 72.1 | 23% | 0.231 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -66 | -39.7 | -177.8 | 171.8 | 84.8 | 0 | 0 | 0 | 111.9 | L28 S31 Q35 K36 V37 A66 I70 | L28-W33 HydrophobicContact CB-CB 4.27Å; L28-W33 HydrophobicContact CB-CD2 4.29Å; L28-W33 HydrophobicContact CB-CE3 3.94Å; L28-W33 HydrophobicContact CB-CG 4.48Å; L28-W33 HydrophobicContact CD1-CD2 4.39Å; L28-W33 HydrophobicContact CD1-CE3 4.11Å; L28-W33 HydrophobicContact CD1-CZ3 4.19Å; L28-W33 HydrophobicContact CD2-CB 4.3Å; L28-W33 HydrophobicContact CD2-CD2 4.15Å; L28-W33 HydrophobicContact CD2-CG 4.04Å; L28-W33 HydrophobicContact CG-CE3 4.43Å; L28-W33 VanDerWaalsContact O-CB 3.28Å; L28-W33 WeakPolarHBondContact O-CB 3.21Å; L28-W33 PolarHBondContact O-N 3.09Å; L28-W33 VanDerWaalsContact O-N 3.12Å; S31-W33 PolarHBondContact O-N 3.3Å; S31-W33 WeakPolarHBondContact OG-CB 3.33Å; S31-W33 PolarHBondContact OG-N 2.71Å; W33-Q35 PolarHBondContact O-N 3.48Å; W33-K36 PolarHBondContact O-N 3.49Å; W33-V37 HydrophobicContact CD2-CG2 3.91Å; W33-V37 HydrophobicContact CE3-CG2 4.37Å; W33-V37 HydrophobicContact CG-CG2 4.41Å; W33-V37 HydrophobicContact CH2-CG2 4.21Å; W33-V37 HydrophobicContact CZ2-CG2 3.72Å; W33-V37 HydrophobicContact CZ3-CG2 4.5Å; W33-V37 WeakPolarHBondContact O-CG2 3.44Å; W33-V37 PolarHBondContact O-N 2.99Å; W33-A66 HydrophobicContact CZ2-CB 3.97Å; W33-A66 PolarHBondContact NE1-O 3.31Å; W33-I70 HydrophobicContact CG-CG1 4.47Å |
| 34 | D | 95.8 | Very high | 96.4 | Very high | 59 Ų | 59 | 72.6 Ų | 72.6 | 32% | 0.316 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -57.5 | -46.5 | 177 | 54.1 | -10.4 | 0 | 0 | 0 | 112.5 | H29 K36 V37 E38 | H29-D34 IonicContact CE1-OD2 2.74Å; H29-D34 IonicContact CG-OD2 3.8Å; H29-D34 IonicContact ND1-OD2 3.83Å; H29-D34 PolarHBondContact ND1-OD2 3.3Å; D34-K36 VanDerWaalsContact C-N 3.34Å; D34-K36 PolarHBondContact O-N 3.27Å; D34-V37 PolarHBondContact O-N 3.5Å; D34-E38 WeakPolarHBondContact O-CB 3.49Å; D34-E38 PolarHBondContact O-N 2.97Å |
| 35 | Q | 97.6 | Very high | 96.6 | Very high | 133 Ų | 133 | 73.5 Ų | 73.5 | 62% | 0.621 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -62.2 | -40.1 | 176.9 | -65.6 | 176.6 | -16.6 | 0 | 0 | 112 | W33 E38 H39 | W33-Q35 PolarHBondContact O-N 3.48Å; Q35-E38 PolarHBondContact O-N 3.21Å; Q35-H39 PolarHBondContact O-N 2.74Å |
| 36 | K | 97.9 | Very high | 96.7 | Very high | 93 Ų | 93 | 71.2 Ų | 71.2 | 40% | 0.404 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -67.3 | -37.9 | 177 | -66.2 | 168 | -175.6 | 164.1 | 0 | 111.7 | G32 W33 D34 A40 L69 | G32-K36 WeakPolarHBondContact O-CG 3.48Å; G32-K36 PolarHBondContact O-N 3.37Å; W33-K36 PolarHBondContact O-N 3.49Å; D34-K36 VanDerWaalsContact C-N 3.34Å; D34-K36 PolarHBondContact O-N 3.27Å; K36-A40 PolarHBondContact O-N 3.2Å; K36-L69 HydrophobicContact CB-CD1 3.9Å; K36-L69 HydrophobicContact CB-CD2 4.36Å |
| 37 | V | 98.2 | Very high | 96.8 | Very high | 24 Ų | 24 | 70.3 Ų | 70.3 | 15% | 0.145 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -69.5 | -40.7 | 175.9 | 174.4 | 0 | 0 | 0 | 0 | 110.9 | W33 D34 H39 A40 C41 V62 A66 L69 | W33-V37 HydrophobicContact CD2-CG2 3.91Å; W33-V37 HydrophobicContact CE3-CG2 4.37Å; W33-V37 HydrophobicContact CG-CG2 4.41Å; W33-V37 HydrophobicContact CH2-CG2 4.21Å; W33-V37 HydrophobicContact CZ2-CG2 3.72Å; W33-V37 HydrophobicContact CZ3-CG2 4.5Å; W33-V37 WeakPolarHBondContact O-CG2 3.44Å; W33-V37 PolarHBondContact O-N 2.99Å; D34-V37 PolarHBondContact O-N 3.5Å; V37-H39 VanDerWaalsContact C-N 3.35Å; V37-H39 PolarHBondContact O-N 3.45Å; V37-A40 PolarHBondContact O-N 3.06Å; V37-C41 PolarHBondContact O-N 3.44Å; V37-C41 PolarHBondContact O-SG 2.91Å; V37-C41 VanDerWaalsContact O-SG 3.36Å; V37-V62 HydrophobicContact CG1-CG1 4.3Å; V37-A66 HydrophobicContact CG1-CB 4.22Å; V37-A66 HydrophobicContact CG2-CB 3.62Å; V37-L69 HydrophobicContact CG2-CD1 4.2Å |
| 38 | E | 98 | Very high | 96.8 | Very high | 112 Ų | 112 | 72.9 Ų | 72.9 | 52% | 0.523 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -57.6 | -48.4 | 173.6 | -177 | -179 | -179.3 | 0 | 0 | 111.2 | D34 Q35 A40 C41 Q42 | D34-E38 WeakPolarHBondContact O-CB 3.49Å; D34-E38 PolarHBondContact O-N 2.97Å; Q35-E38 PolarHBondContact O-N 3.21Å; E38-A40 VanDerWaalsContact C-N 3.32Å; E38-A40 PolarHBondContact O-N 2.96Å; E38-C41 WeakPolarHBondContact O-CB 3.39Å; E38-C41 PolarHBondContact O-N 2.88Å; E38-C41 VanDerWaalsContact O-N 3.16Å; E38-Q42 WeakPolarHBondContact O-CG 3.32Å; E38-Q42 PolarHBondContact O-N 3.48Å; E38-Q42 PolarHBondContact OE1-NE2 3.48Å |
| 39 | H | 98.4 | Very high | 96.6 | Very high | 107 Ų | 107 | 73.1 Ų | 73.1 | 50% | 0.495 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -59.3 | -43.1 | 175.7 | -175 | -78.9 | 0 | 0 | 0 | 111.8 | Q35 V37 C41 Q42 E43 | Q35-H39 PolarHBondContact O-N 2.74Å; V37-H39 VanDerWaalsContact C-N 3.35Å; V37-H39 PolarHBondContact O-N 3.45Å; H39-C41 VanDerWaalsContact C-N 3.32Å; H39-C41 PolarHBondContact O-N 3.02Å; H39-Q42 PolarHBondContact O-N 3.05Å; H39-E43 VanDerWaalsContact CE1-CG 3.48Å; H39-E43 WeakPolarHBondContact CE1-CG 3.48Å; H39-E43 WeakPolarHBondContact O-CG 3.17Å; H39-E43 PolarHBondContact O-N 3.25Å |
| 40 | A | 98.2 | Very high | 96.4 | Very high | 16 Ų | 16 | 72.2 Ų | 72.2 | 13% | 0.132 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -62.1 | -38.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | K36 V37 E38 F44 V62 I65 | K36-A40 PolarHBondContact O-N 3.2Å; V37-A40 PolarHBondContact O-N 3.06Å; E38-A40 VanDerWaalsContact C-N 3.32Å; E38-A40 PolarHBondContact O-N 2.96Å; A40-F44 WeakPolarHBondContact O-CB 3.39Å; A40-F44 PolarHBondContact O-N 2.74Å; A40-F44 VanDerWaalsContact O-N 3.11Å; A40-V62 HydrophobicContact CB-CG1 4.19Å; A40-I65 HydrophobicContact CB-CG2 4.13Å |
| 41 | C | 97.9 | Very high | 96.3 | Very high | 30 Ų | 30 | 74.1 Ų | 74.1 | 20% | 0.203 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -63.3 | -46 | 173.1 | -70.3 | 0 | 0 | 0 | 0 | 111.8 | V37 E38 H39 F44 I45 L58 | V37-C41 PolarHBondContact O-N 3.44Å; V37-C41 PolarHBondContact O-SG 2.91Å; V37-C41 VanDerWaalsContact O-SG 3.36Å; E38-C41 WeakPolarHBondContact O-CB 3.39Å; E38-C41 PolarHBondContact O-N 2.88Å; E38-C41 VanDerWaalsContact O-N 3.16Å; H39-C41 VanDerWaalsContact C-N 3.32Å; H39-C41 PolarHBondContact O-N 3.02Å; C41-F44 PolarHBondContact O-N 3.41Å; C41-I45 WeakPolarHBondContact O-CD1 3.45Å; C41-I45 WeakPolarHBondContact O-CG1 3.28Å; C41-I45 PolarHBondContact O-N 3.47Å; C41-L58 HydrophobicContact CB-CD1 4.26Å |
| 42 | Q | 97.8 | Very high | 96.2 | Very high | 90 Ų | 90 | 80.9 Ų | 80.9 | 42% | 0.421 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -60.9 | -47.6 | 179.6 | -71.1 | 172.1 | -3.9 | 0 | 0 | 111.3 | E38 H39 F44 I45 L46 | E38-Q42 WeakPolarHBondContact O-CG 3.32Å; E38-Q42 PolarHBondContact O-N 3.48Å; E38-Q42 PolarHBondContact OE1-NE2 3.48Å; H39-Q42 PolarHBondContact O-N 3.05Å; Q42-F44 VanDerWaalsContact C-N 3.32Å; Q42-F44 PolarHBondContact O-N 2.99Å; Q42-I45 PolarHBondContact O-N 3.5Å; Q42-L46 WeakPolarHBondContact O-CB 3.43Å; Q42-L46 VanDerWaalsContact O-CG 3.24Å; Q42-L46 WeakPolarHBondContact O-CG 3.49Å; Q42-L46 PolarHBondContact O-N 3.41Å |
| 43 | E | 97.2 | Very high | 96.2 | Very high | 94 Ų | 94 | 81.6 Ų | 81.6 | 44% | 0.439 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -59.3 | -42.2 | 176.7 | -73.4 | -66.9 | 113.5 | 0 | 0 | 112.1 | H39 L46 T47 | H39-E43 VanDerWaalsContact CE1-CG 3.48Å; H39-E43 WeakPolarHBondContact CE1-CG 3.48Å; H39-E43 WeakPolarHBondContact O-CG 3.17Å; H39-E43 PolarHBondContact O-N 3.25Å; E43-L46 PolarHBondContact O-N 2.9Å; E43-T47 VanDerWaalsContact O-CB 3.31Å; E43-T47 WeakPolarHBondContact O-CB 3.37Å; E43-T47 PolarHBondContact O-N 3.03Å; E43-T47 PolarHBondContact O-OG1 3.3Å |
| 44 | F | 96.9 | Very high | 96.1 | Very high | 38 Ų | 38 | 81.8 Ų | 81.8 | 17% | 0.167 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -63.6 | -44.8 | 176.5 | -176 | -91.4 | 0 | 0 | 0 | 111.9 | A40 C41 Q42 T47 N48 I53 L58 E61 V62 | A40-F44 WeakPolarHBondContact O-CB 3.39Å; A40-F44 PolarHBondContact O-N 2.74Å; A40-F44 VanDerWaalsContact O-N 3.11Å; C41-F44 PolarHBondContact O-N 3.41Å; Q42-F44 VanDerWaalsContact C-N 3.32Å; Q42-F44 PolarHBondContact O-N 2.99Å; F44-T47 PolarHBondContact O-N 3.03Å; F44-N48 WeakPolarHBondContact CD2-ND2 3.43Å; F44-N48 WeakPolarHBondContact CE2-ND2 3.2Å; F44-N48 WeakPolarHBondContact O-CB 3.37Å; F44-N48 PolarHBondContact O-N 3.36Å; F44-N48 VanDerWaalsContact O-N 3.1Å; F44-N48 PolarHBondContact O-ND2 3.07Å; F44-I53 HydrophobicContact CD1-CD1 3.83Å; F44-I53 HydrophobicContact CE1-CB 4.3Å; F44-I53 HydrophobicContact CE1-CD1 3.82Å; F44-I53 HydrophobicContact CE1-CG2 3.92Å; F44-L58 HydrophobicContact CB-CD1 4.13Å; F44-L58 HydrophobicContact CD1-CD1 3.44Å; F44-L58 VanDerWaalsContact CD1-CD1 3.44Å; F44-L58 HydrophobicContact CE1-CD1 4.18Å; F44-L58 HydrophobicContact CG-CD1 4.05Å; F44-E61 HydrophobicContact CD2-CB 4.03Å; F44-E61 HydrophobicContact CE2-CB 3.46Å; F44-E61 VanDerWaalsContact CE2-CB 3.46Å; F44-E61 HydrophobicContact CE2-CG 3.58Å; F44-E61 HydrophobicContact CZ-CB 3.8Å; F44-E61 HydrophobicContact CZ-CG 3.65Å; F44-V62 HydrophobicContact CB-CG2 4.21Å; F44-V62 HydrophobicContact CG-CG2 4.4Å |
| 45 | I | 96.7 | Very high | 96.1 | Very high | 54 Ų | 54 | 84.3 Ų | 84.3 | 28% | 0.277 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -62.7 | -45.8 | 176.8 | -70.7 | 156.5 | 0 | 0 | 0 | 110.9 | C41 Q42 T47 G49 V50 I53 L58 | C41-I45 WeakPolarHBondContact O-CD1 3.45Å; C41-I45 WeakPolarHBondContact O-CG1 3.28Å; C41-I45 PolarHBondContact O-N 3.47Å; Q42-I45 PolarHBondContact O-N 3.5Å; I45-T47 VanDerWaalsContact C-N 3.33Å; I45-T47 PolarHBondContact O-N 2.93Å; I45-G49 CarbonylContact O-C 3.57Å; I45-G49 WeakPolarHBondContact O-CA 3.41Å; I45-G49 PolarHBondContact O-N 3.47Å; I45-V50 HydrophobicContact CG2-CB 3.94Å; I45-V50 HydrophobicContact CG2-CG2 4.25Å; I45-I53 HydrophobicContact CB-CD1 4.35Å; I45-I53 HydrophobicContact CG1-CD1 3.6Å; I45-L58 HydrophobicContact CG1-CD1 4.4Å |
| 46 | L | 96.2 | Very high | 96.1 | Very high | 131 Ų | 131 | 83.8 Ų | 83.8 | 69% | 0.686 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -63.2 | -40.1 | -180 | -72.1 | 170.5 | 0 | 0 | 0 | 111.7 | Q42 E43 | Q42-L46 WeakPolarHBondContact O-CB 3.43Å; Q42-L46 VanDerWaalsContact O-CG 3.24Å; Q42-L46 WeakPolarHBondContact O-CG 3.49Å; Q42-L46 PolarHBondContact O-N 3.41Å; E43-L46 PolarHBondContact O-N 2.9Å |
| 47 | T | 95.9 | Very high | 96 | Very high | 108 Ų | 108 | 83.9 Ų | 83.9 | 66% | 0.663 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -69.9 | -41.1 | -178.9 | -59.9 | 0 | 0 | 0 | 0 | 112.4 | E43 F44 I45 | E43-T47 VanDerWaalsContact O-CB 3.31Å; E43-T47 WeakPolarHBondContact O-CB 3.37Å; E43-T47 PolarHBondContact O-N 3.03Å; E43-T47 PolarHBondContact O-OG1 3.3Å; F44-T47 PolarHBondContact O-N 3.03Å; I45-T47 VanDerWaalsContact C-N 3.33Å; I45-T47 PolarHBondContact O-N 2.93Å |
| 48 | N | 94.7 | Very high | 95.9 | Very high | 68 Ų | 68 | 83.9 Ų | 83.9 | 36% | 0.364 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -95 | -20.4 | -173.2 | -67 | -80.8 | 0 | 0 | 0 | 113.4 | F44 I53 | F44-N48 WeakPolarHBondContact CD2-ND2 3.43Å; F44-N48 WeakPolarHBondContact CE2-ND2 3.2Å; F44-N48 WeakPolarHBondContact O-CB 3.37Å; F44-N48 PolarHBondContact O-N 3.36Å; F44-N48 VanDerWaalsContact O-N 3.1Å; F44-N48 PolarHBondContact O-ND2 3.07Å; N48-I53 HydrophobicContact CB-CG2 3.43Å; N48-I53 VanDerWaalsContact CB-CG2 3.43Å |
| 49 | G | 92.5 | Very high | 95.9 | Very high | 30 Ų | 30 | 82.2 Ų | 82.2 | 31% | 0.309 | 43% | 0.431 | S | S | . | . | trans | 85.3 | 129.8 | -173.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | I45 D51 K52 | I45-G49 CarbonylContact O-C 3.57Å; I45-G49 WeakPolarHBondContact O-CA 3.41Å; I45-G49 PolarHBondContact O-N 3.47Å; G49-D51 VanDerWaalsContact C-N 3.25Å; G49-D51 PolarHBondContact O-N 3.38Å; G49-K52 PolarHBondContact O-N 2.94Å | ||
| 50 | V | 91.5 | Very high | 95.9 | Very high | 100 Ų | 100 | 81.6 Ų | 81.6 | 61% | 0.606 | 44% | 0.435 | S | S | * | . | G | 310 helix | trans | -58.2 | -33.8 | -174.5 | 67.6 | 0 | 0 | 0 | 0 | 113.6 | I45 K52 | I45-V50 HydrophobicContact CG2-CB 3.94Å; I45-V50 HydrophobicContact CG2-CG2 4.25Å; V50-K52 VanDerWaalsContact C-N 3.27Å; V50-K52 PolarHBondContact O-N 3.13Å |
| 51 | D | 92.8 | Very high | 95.8 | Very high | 161 Ų | 161 | 85.7 Ų | 85.7 | 86% | 0.861 | 45% | 0.451 | S | S | * | . | G | 310 helix | trans | -77.9 | -9.7 | -178.6 | -56.3 | -49.6 | 0 | 0 | 0 | 113.9 | G49 | G49-D51 VanDerWaalsContact C-N 3.25Å; G49-D51 PolarHBondContact O-N 3.38Å |
| 52 | K | 92.9 | Very high | 95.8 | Very high | 173 Ų | 173 | 84.6 Ų | 84.6 | 75% | 0.752 | 44% | 0.443 | S | S | * | . | G | 310 helix | trans | -107.1 | -6.2 | -172.9 | -63.7 | -175.2 | -175.2 | 171 | 0 | 114 | G49 V50 | G49-K52 PolarHBondContact O-N 2.94Å; V50-K52 VanDerWaalsContact C-N 3.27Å; V50-K52 PolarHBondContact O-N 3.13Å |
| 53 | I | 94.9 | Very high | 95.8 | Very high | 31 Ų | 31 | 84.8 Ų | 84.8 | 16% | 0.159 | 44% | 0.443 | C | S | . | . | trans | -117.1 | 147.8 | -176.4 | 67.5 | 164.2 | 0 | 0 | 0 | 111.4 | F44 I45 N48 | F44-I53 HydrophobicContact CD1-CD1 3.83Å; F44-I53 HydrophobicContact CE1-CB 4.3Å; F44-I53 HydrophobicContact CE1-CD1 3.82Å; F44-I53 HydrophobicContact CE1-CG2 3.92Å; I45-I53 HydrophobicContact CB-CD1 4.35Å; I45-I53 HydrophobicContact CG1-CD1 3.6Å; N48-I53 HydrophobicContact CB-CG2 3.43Å; N48-I53 VanDerWaalsContact CB-CG2 3.43Å | ||
| 54 | T | 95.9 | Very high | 95.9 | Very high | 66 Ų | 66 | 83 Ų | 83 | 41% | 0.405 | 44% | 0.44 | S | S | . | . | trans | -100.5 | 163.1 | 168.9 | 82.7 | 0 | 0 | 0 | 0 | 111.2 | E56 Q57 L58 | T54-E56 WeakPolarHBondContact CB-OE2 3.26Å; T54-E56 PolarHBondContact O-N 3.3Å; T54-E56 PolarHBondContact OG1-N 2.89Å; T54-E56 PolarHBondContact OG1-OE2 3.42Å; T54-Q57 PolarHBondContact O-N 2.93Å; T54-Q57 PolarHBondContact OG1-N 3.27Å; T54-L58 PolarHBondContact O-N 3.43Å | ||
| 55 | L | 95.3 | Very high | 95.9 | Very high | 111 Ų | 111 | 84.6 Ų | 84.6 | 58% | 0.581 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -59.7 | -37.8 | 174.2 | 178.1 | 60.1 | 0 | 0 | 0 | 111.4 | L58 I59 | L55-L58 HydrophobicContact CD1-CD2 4.39Å; L55-L58 PolarHBondContact O-N 3.37Å; L55-I59 HydrophobicContact CD1-CD1 4.13Å; L55-I59 HydrophobicContact CD1-CG1 4.28Å; L55-I59 HydrophobicContact CG-CD1 3.92Å; L55-I59 HydrophobicContact CG-CG1 4.5Å; L55-I59 VanDerWaalsContact O-CG1 3.26Å; L55-I59 WeakPolarHBondContact O-CG1 3.48Å; L55-I59 PolarHBondContact O-N 2.99Å |
| 56 | E | 97.5 | Very high | 96 | Very high | 123 Ų | 123 | 82.5 Ų | 82.5 | 58% | 0.575 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -63.7 | -43.2 | 178.5 | -58.8 | 71.2 | -152 | 0 | 0 | 111 | T54 I59 V60 | T54-E56 WeakPolarHBondContact CB-OE2 3.26Å; T54-E56 PolarHBondContact O-N 3.3Å; T54-E56 PolarHBondContact OG1-N 2.89Å; T54-E56 PolarHBondContact OG1-OE2 3.42Å; E56-I59 PolarHBondContact O-N 3.47Å; E56-V60 WeakPolarHBondContact O-CB 3.44Å; E56-V60 VanDerWaalsContact O-CG2 3.28Å; E56-V60 WeakPolarHBondContact O-CG2 3.28Å; E56-V60 PolarHBondContact O-N 3.41Å |
| 57 | Q | 96.4 | Very high | 95.9 | Very high | 95 Ų | 95 | 84.3 Ų | 84.3 | 44% | 0.444 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -62.7 | -47.2 | 175.1 | -70.4 | 174 | -25.6 | 0 | 0 | 111.1 | T54 I59 V60 E61 | T54-Q57 PolarHBondContact O-N 2.93Å; T54-Q57 PolarHBondContact OG1-N 3.27Å; Q57-I59 VanDerWaalsContact C-N 3.29Å; Q57-I59 PolarHBondContact O-N 3.23Å; Q57-V60 PolarHBondContact O-N 2.92Å; Q57-V60 VanDerWaalsContact O-N 3.13Å; Q57-E61 WeakPolarHBondContact O-CB 3.43Å; Q57-E61 WeakPolarHBondContact O-CG 3.45Å; Q57-E61 PolarHBondContact O-N 3.23Å |
| 58 | L | 97 | Very high | 96 | Very high | 24 Ų | 24 | 86.8 Ų | 86.8 | 13% | 0.126 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -55.4 | -45.7 | 175.4 | 180 | 70.6 | 0 | 0 | 0 | 111.3 | C41 F44 I45 T54 L55 E61 V62 | C41-L58 HydrophobicContact CB-CD1 4.26Å; F44-L58 HydrophobicContact CB-CD1 4.13Å; F44-L58 HydrophobicContact CD1-CD1 3.44Å; F44-L58 VanDerWaalsContact CD1-CD1 3.44Å; F44-L58 HydrophobicContact CE1-CD1 4.18Å; F44-L58 HydrophobicContact CG-CD1 4.05Å; I45-L58 HydrophobicContact CG1-CD1 4.4Å; T54-L58 PolarHBondContact O-N 3.43Å; L55-L58 HydrophobicContact CD1-CD2 4.39Å; L55-L58 PolarHBondContact O-N 3.37Å; L58-E61 PolarHBondContact O-N 3.49Å; L58-V62 HydrophobicContact CD1-CG2 3.61Å; L58-V62 HydrophobicContact CG-CG2 4.26Å; L58-V62 VanDerWaalsContact O-CB 3.24Å; L58-V62 WeakPolarHBondContact O-CB 3.46Å; L58-V62 WeakPolarHBondContact O-CG2 3.48Å; L58-V62 PolarHBondContact O-N 3.03Å |
| 59 | I | 97.6 | Very high | 96.1 | Very high | 77 Ų | 77 | 86.1 Ų | 86.1 | 40% | 0.395 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -63.4 | -44.2 | 177.7 | -70.1 | 166.6 | 0 | 0 | 0 | 111 | L55 E56 Q57 E61 K63 | L55-I59 HydrophobicContact CD1-CD1 4.13Å; L55-I59 HydrophobicContact CD1-CG1 4.28Å; L55-I59 HydrophobicContact CG-CD1 3.92Å; L55-I59 HydrophobicContact CG-CG1 4.5Å; L55-I59 VanDerWaalsContact O-CG1 3.26Å; L55-I59 WeakPolarHBondContact O-CG1 3.48Å; L55-I59 PolarHBondContact O-N 2.99Å; E56-I59 PolarHBondContact O-N 3.47Å; Q57-I59 VanDerWaalsContact C-N 3.29Å; Q57-I59 PolarHBondContact O-N 3.23Å; I59-E61 VanDerWaalsContact C-N 3.35Å; I59-K63 WeakPolarHBondContact O-CB 3.23Å; I59-K63 PolarHBondContact O-N 3.48Å |
| 60 | V | 98.1 | Very high | 96.2 | Very high | 93 Ų | 93 | 86.5 Ų | 86.5 | 56% | 0.564 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -62.2 | -44.3 | -179.4 | 167.1 | 0 | 0 | 0 | 0 | 110.9 | E56 Q57 P64 | E56-V60 WeakPolarHBondContact O-CB 3.44Å; E56-V60 VanDerWaalsContact O-CG2 3.28Å; E56-V60 WeakPolarHBondContact O-CG2 3.28Å; E56-V60 PolarHBondContact O-N 3.41Å; Q57-V60 PolarHBondContact O-N 2.92Å; Q57-V60 VanDerWaalsContact O-N 3.13Å; V60-P64 WeakPolarHBondContact O-CD 3.35Å |
| 61 | E | 96.7 | Very high | 96.3 | Very high | 102 Ų | 102 | 84.1 Ų | 84.1 | 48% | 0.477 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -78.9 | -41 | -175.7 | -64.7 | -59.3 | 142.5 | 0 | 0 | 112.9 | F44 Q57 L58 I59 P64 | F44-E61 HydrophobicContact CD2-CB 4.03Å; F44-E61 HydrophobicContact CE2-CB 3.46Å; F44-E61 VanDerWaalsContact CE2-CB 3.46Å; F44-E61 HydrophobicContact CE2-CG 3.58Å; F44-E61 HydrophobicContact CZ-CB 3.8Å; F44-E61 HydrophobicContact CZ-CG 3.65Å; Q57-E61 WeakPolarHBondContact O-CB 3.43Å; Q57-E61 WeakPolarHBondContact O-CG 3.45Å; Q57-E61 PolarHBondContact O-N 3.23Å; L58-E61 PolarHBondContact O-N 3.49Å; I59-E61 VanDerWaalsContact C-N 3.35Å; E61-P64 WeakPolarHBondContact O-CD 3.42Å; E61-P64 WeakPolarHBondContact O-CG 3.3Å |
| 62 | V | 97.8 | Very high | 96.3 | Very high | 7 Ų | 7 | 82 Ų | 82 | 4% | 0.042 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -82.6 | -28.8 | -176.7 | 179.2 | 0 | 0 | 0 | 0 | 112.5 | V37 A40 F44 L58 I65 A66 | V37-V62 HydrophobicContact CG1-CG1 4.3Å; A40-V62 HydrophobicContact CB-CG1 4.19Å; F44-V62 HydrophobicContact CB-CG2 4.21Å; F44-V62 HydrophobicContact CG-CG2 4.4Å; L58-V62 HydrophobicContact CD1-CG2 3.61Å; L58-V62 HydrophobicContact CG-CG2 4.26Å; L58-V62 VanDerWaalsContact O-CB 3.24Å; L58-V62 WeakPolarHBondContact O-CB 3.46Å; L58-V62 WeakPolarHBondContact O-CG2 3.48Å; L58-V62 PolarHBondContact O-N 3.03Å; V62-I65 CarbonylContact O-C 3.59Å; V62-I65 WeakPolarHBondContact O-CA 3.09Å; V62-I65 WeakPolarHBondContact O-CB 3.49Å; V62-I65 PolarHBondContact O-N 3.03Å; V62-I65 VanDerWaalsContact O-N 3.07Å; V62-A66 WeakPolarHBondContact O-CB 2.81Å; V62-A66 PolarHBondContact O-N 3.14Å |
| 63 | K | 98 | Very high | 96.3 | Very high | 94 Ų | 94 | 76.4 Ų | 76.4 | 41% | 0.409 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -54.2 | -46.4 | -179.8 | 179.7 | -178.3 | -61.1 | 174.2 | 0 | 114.9 | I59 I65 A66 R67 | I59-K63 WeakPolarHBondContact O-CB 3.23Å; I59-K63 PolarHBondContact O-N 3.48Å; K63-I65 VanDerWaalsContact C-N 3.32Å; K63-A66 PolarHBondContact O-N 2.86Å; K63-R67 WeakPolarHBondContact O-CG 3.39Å; K63-R67 PolarHBondContact O-N 3.35Å |
| 64 | P | 98.2 | Very high | 96.2 | Very high | 57 Ų | 57 | 75.5 Ų | 75.5 | 37% | 0.37 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -62.8 | -39.1 | 175.4 | 23.8 | -33.3 | 0 | 0 | 0 | 112 | V60 E61 R67 Q68 | V60-P64 WeakPolarHBondContact O-CD 3.35Å; E61-P64 WeakPolarHBondContact O-CD 3.42Å; E61-P64 WeakPolarHBondContact O-CG 3.3Å; P64-R67 PolarHBondContact O-N 3.41Å; P64-Q68 VanDerWaalsContact O-CG 3.32Å; P64-Q68 WeakPolarHBondContact O-CG 3.5Å; P64-Q68 PolarHBondContact O-N 3.14Å |
| 65 | I | 97.4 | Very high | 96.1 | Very high | 72 Ų | 72 | 76.7 Ų | 76.7 | 37% | 0.369 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -61.5 | -50.1 | 175.6 | -57.1 | 172.6 | 0 | 0 | 0 | 109.8 | A40 V62 K63 R67 Q68 L69 | A40-I65 HydrophobicContact CB-CG2 4.13Å; V62-I65 CarbonylContact O-C 3.59Å; V62-I65 WeakPolarHBondContact O-CA 3.09Å; V62-I65 WeakPolarHBondContact O-CB 3.49Å; V62-I65 PolarHBondContact O-N 3.03Å; V62-I65 VanDerWaalsContact O-N 3.07Å; K63-I65 VanDerWaalsContact C-N 3.32Å; I65-R67 VanDerWaalsContact C-N 3.27Å; I65-R67 PolarHBondContact O-N 3.31Å; I65-Q68 WeakPolarHBondContact O-CB 3.4Å; I65-Q68 PolarHBondContact O-N 2.97Å; I65-L69 HydrophobicContact CG2-CD1 4Å; I65-L69 HydrophobicContact CG2-CG 4.27Å; I65-L69 VanDerWaalsContact O-CG 3.31Å; I65-L69 WeakPolarHBondContact O-CG 3.47Å; I65-L69 PolarHBondContact O-N 3.42Å |
| 66 | A | 97.6 | Very high | 96 | Very high | 10 Ų | 10 | 78.8 Ų | 78.8 | 8% | 0.083 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -55.7 | -40.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | W33 V37 V62 K63 L69 | W33-A66 HydrophobicContact CZ2-CB 3.97Å; W33-A66 PolarHBondContact NE1-O 3.31Å; V37-A66 HydrophobicContact CG1-CB 4.22Å; V37-A66 HydrophobicContact CG2-CB 3.62Å; V62-A66 WeakPolarHBondContact O-CB 2.81Å; V62-A66 PolarHBondContact O-N 3.14Å; K63-A66 PolarHBondContact O-N 2.86Å; A66-L69 PolarHBondContact O-N 2.89Å |
| 67 | R | 95.9 | Very high | 95.8 | Very high | 169 Ų | 169 | 76.1 Ų | 76.1 | 64% | 0.638 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -66.4 | -38.4 | 175.2 | -73.4 | 173.4 | 176.5 | 155.3 | -5.3 | 112.9 | K63 P64 I65 L69 | K63-R67 WeakPolarHBondContact O-CG 3.39Å; K63-R67 PolarHBondContact O-N 3.35Å; P64-R67 PolarHBondContact O-N 3.41Å; I65-R67 VanDerWaalsContact C-N 3.27Å; I65-R67 PolarHBondContact O-N 3.31Å; R67-L69 VanDerWaalsContact C-N 3.32Å |
| 68 | Q | 96.7 | Very high | 95.5 | Very high | 159 Ų | 159 | 73.3 Ų | 73.3 | 74% | 0.743 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -70.8 | -28.6 | 177.7 | -70.4 | 172.7 | 11.4 | 0 | 0 | 112.5 | P64 I65 I70 | P64-Q68 VanDerWaalsContact O-CG 3.32Å; P64-Q68 WeakPolarHBondContact O-CG 3.5Å; P64-Q68 PolarHBondContact O-N 3.14Å; I65-Q68 WeakPolarHBondContact O-CB 3.4Å; I65-Q68 PolarHBondContact O-N 2.97Å; Q68-I70 PolarHBondContact O-N 3.05Å |
| 69 | L | 96.9 | Very high | 95.3 | Very high | 54 Ų | 54 | 77 Ų | 77 | 28% | 0.283 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70 | -11 | 178.8 | -73.2 | 170.6 | 0 | 0 | 0 | 114 | K36 V37 I65 A66 R67 P71 | K36-L69 HydrophobicContact CB-CD1 3.9Å; K36-L69 HydrophobicContact CB-CD2 4.36Å; V37-L69 HydrophobicContact CG2-CD1 4.2Å; I65-L69 HydrophobicContact CG2-CD1 4Å; I65-L69 HydrophobicContact CG2-CG 4.27Å; I65-L69 VanDerWaalsContact O-CG 3.31Å; I65-L69 WeakPolarHBondContact O-CG 3.47Å; I65-L69 PolarHBondContact O-N 3.42Å; A66-L69 PolarHBondContact O-N 2.89Å; R67-L69 VanDerWaalsContact C-N 3.32Å; L69-P71 WeakPolarHBondContact O-CD 3.31Å |
| 70 | I | 95.3 | Very high | 94.9 | Very high | 39 Ų | 39 | 79 Ų | 79 | 20% | 0.2 | 39% | 0.386 | C | S | . | . | S | Bend | trans | -78.7 | 112.7 | 176.9 | -55.8 | 173.7 | 0 | 0 | 0 | 109.2 | L28 W33 Q68 V74 K75 | L28-I70 HydrophobicContact CD2-CD1 4.08Å; L28-I70 HydrophobicContact CD2-CG1 4.04Å; L28-I70 HydrophobicContact CD2-CG2 4.27Å; W33-I70 HydrophobicContact CG-CG1 4.47Å; Q68-I70 PolarHBondContact O-N 3.05Å; I70-V74 HydrophobicContact CG2-CB 4.21Å; I70-V74 HydrophobicContact CG2-CG1 4.2Å; I70-K75 HydrophobicContact CG2-CG 3.84Å; I70-K75 WeakPolarHBondContact O-CE 3.46Å |
| 71 | P | 92.6 | Very high | 94.4 | Very high | 49 Ų | 49 | 80 Ų | 80 | 32% | 0.318 | 38% | 0.38 | S | S | . | . | trans | -66.5 | 153.1 | 178.4 | -18 | 33 | 0 | 0 | 0 | 112.3 | L69 S73 V74 K75 | L69-P71 WeakPolarHBondContact O-CD 3.31Å; P71-S73 VanDerWaalsContact C-N 3.25Å; P71-S73 PolarHBondContact O-N 2.85Å; P71-V74 HydrophobicContact CB-CG2 4.31Å; P71-V74 HydrophobicContact CG-CG2 4.14Å; P71-V74 PolarHBondContact O-N 2.94Å; P71-V74 VanDerWaalsContact O-N 3.09Å; P71-K75 PolarHBondContact O-N 3.06Å | ||
| 72 | E | 93.6 | Very high | 94 | Very high | 117 Ų | 117 | 76.6 Ų | 76.6 | 55% | 0.547 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -64.8 | -29.2 | 179.6 | -158.4 | 59 | -148.7 | 0 | 0 | 113 | K75 R76 | E72-K75 PolarHBondContact O-N 3.31Å; E72-K75 WeakPolarHBondContact OE2-CD 3.49Å; E72-K75 IonicContact OE2-NZ 2.76Å; E72-K75 PolarHBondContact OE2-NZ 3Å; E72-R76 WeakPolarHBondContact O-CG 3.37Å; E72-R76 PolarHBondContact O-N 3.3Å |
| 73 | S | 92.9 | Very high | 93.4 | Very high | 55 Ų | 55 | 81.6 Ų | 81.6 | 39% | 0.385 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -58.7 | -46.8 | 171.1 | 52.5 | 0 | 0 | 0 | 0 | 111.6 | P71 K75 R76 D77 | P71-S73 VanDerWaalsContact C-N 3.25Å; P71-S73 PolarHBondContact O-N 2.85Å; S73-K75 VanDerWaalsContact C-N 3.3Å; S73-K75 PolarHBondContact O-N 2.85Å; S73-R76 PolarHBondContact O-N 3.05Å; S73-D77 PolarHBondContact O-N 3.18Å; S73-D77 VanDerWaalsContact O-OD1 3.12Å |
| 74 | V | 93.1 | Very high | 92.8 | Very high | 13 Ų | 13 | 83.4 Ų | 83.4 | 8% | 0.079 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -64.8 | -35.9 | 179.8 | 179.7 | 0 | 0 | 0 | 0 | 111.4 | L27 L28 I70 P71 L78 | L27-V74 HydrophobicContact CB-CG1 4.49Å; L28-V74 HydrophobicContact CD2-CG1 4.3Å; I70-V74 HydrophobicContact CG2-CB 4.21Å; I70-V74 HydrophobicContact CG2-CG1 4.2Å; P71-V74 HydrophobicContact CB-CG2 4.31Å; P71-V74 HydrophobicContact CG-CG2 4.14Å; P71-V74 PolarHBondContact O-N 2.94Å; P71-V74 VanDerWaalsContact O-N 3.09Å; V74-L78 WeakPolarHBondContact O-CB 3.39Å; V74-L78 PolarHBondContact O-N 2.99Å |
| 75 | K | 93.3 | Very high | 92 | Very high | 91 Ų | 91 | 82.9 Ų | 82.9 | 40% | 0.396 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -66.1 | -41.2 | 175.7 | -61.6 | -177.2 | -157.3 | 153.1 | 0 | 112.1 | I70 P71 E72 S73 L78 L79 | I70-K75 HydrophobicContact CG2-CG 3.84Å; I70-K75 WeakPolarHBondContact O-CE 3.46Å; P71-K75 PolarHBondContact O-N 3.06Å; E72-K75 PolarHBondContact O-N 3.31Å; E72-K75 WeakPolarHBondContact OE2-CD 3.49Å; E72-K75 IonicContact OE2-NZ 2.76Å; E72-K75 PolarHBondContact OE2-NZ 3Å; S73-K75 VanDerWaalsContact C-N 3.3Å; S73-K75 PolarHBondContact O-N 2.85Å; K75-L78 PolarHBondContact O-N 3.48Å; K75-L79 PolarHBondContact O-N 3.48Å |
| 76 | R | 93.8 | Very high | 90.9 | Very high | 155 Ų | 155 | 86.3 Ų | 86.3 | 59% | 0.585 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -64.7 | -50.3 | 175.7 | -70.5 | -174.9 | -61.1 | 167.9 | 5.7 | 111.1 | E72 S73 L78 L79 E80 | E72-R76 WeakPolarHBondContact O-CG 3.37Å; E72-R76 PolarHBondContact O-N 3.3Å; S73-R76 PolarHBondContact O-N 3.05Å; R76-L78 PolarHBondContact O-N 3.35Å; R76-L79 WeakPolarHBondContact O-CB 3.46Å; R76-L79 PolarHBondContact O-N 2.91Å; R76-E80 PolarHBondContact O-N 3.47Å |
| 77 | D | 92 | Very high | 89.4 | Confident | 66 Ų | 66 | 95.5 Ų | 95.5 | 35% | 0.353 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -59.6 | -35.6 | 177.6 | -63.2 | 2.2 | 0 | 0 | 0 | 111.5 | L27 S73 R81 | L27-D77 HydrophobicContact CD1-CB 4.45Å; S73-D77 PolarHBondContact O-N 3.18Å; S73-D77 VanDerWaalsContact O-OD1 3.12Å; D77-R81 VanDerWaalsContact O-CG 3.28Å; D77-R81 WeakPolarHBondContact O-CG 3.4Å; D77-R81 PolarHBondContact O-N 3.23Å |
| 78 | L | 91.7 | Very high | 89.1 | Confident | 37 Ų | 37 | 91.8 Ų | 91.8 | 19% | 0.194 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -66.3 | -47.2 | 174.5 | 179.6 | 62.1 | 0 | 0 | 0 | 111.3 | V23 T24 L27 V74 K75 R76 E80 R81 L82 | V23-L78 HydrophobicContact CG1-CD1 4.28Å; T24-L78 HydrophobicContact CG2-CD1 4.29Å; T24-L78 HydrophobicContact CG2-CD2 4.03Å; T24-L78 WeakPolarHBondContact OG1-CD1 3.34Å; L27-L78 HydrophobicContact CD1-CB 3.86Å; L27-L78 HydrophobicContact CD1-CD1 3.88Å; V74-L78 WeakPolarHBondContact O-CB 3.39Å; V74-L78 PolarHBondContact O-N 2.99Å; K75-L78 PolarHBondContact O-N 3.48Å; R76-L78 PolarHBondContact O-N 3.35Å; L78-E80 PolarHBondContact O-N 2.69Å; L78-R81 PolarHBondContact O-N 3.41Å; L78-L82 HydrophobicContact CD1-CD1 3.91Å; L78-L82 HydrophobicContact CD1-CD2 4.25Å; L78-L82 HydrophobicContact CD1-CG 3.85Å; L78-L82 HydrophobicContact CD2-CD1 4.35Å; L78-L82 HydrophobicContact CG-CD1 3.76Å; L78-L82 HydrophobicContact CG-CG 4.11Å; L78-L82 WeakPolarHBondContact O-CB 3.39Å; L78-L82 WeakPolarHBondContact O-CG 3.35Å; L78-L82 PolarHBondContact O-N 3.09Å |
| 79 | L | 91.2 | Very high | 88.7 | Confident | 101 Ų | 101 | 88.3 Ų | 88.3 | 53% | 0.529 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -58.6 | -48.5 | -179.8 | -177.1 | 63.4 | 0 | 0 | 0 | 111.2 | K75 R76 R81 L82 E83 | K75-L79 PolarHBondContact O-N 3.48Å; R76-L79 WeakPolarHBondContact O-CB 3.46Å; R76-L79 PolarHBondContact O-N 2.91Å; L79-R81 VanDerWaalsContact C-N 3.34Å; L79-R81 PolarHBondContact O-N 3.03Å; L79-L82 PolarHBondContact O-N 3.08Å; L79-L82 VanDerWaalsContact O-N 3.13Å; L79-E83 WeakPolarHBondContact O-CG 3.1Å; L79-E83 PolarHBondContact O-N 2.98Å |
| 80 | E | 90.7 | Very high | 88.3 | Confident | 118 Ų | 118 | 90.2 Ų | 90.2 | 55% | 0.551 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -56.2 | -47.4 | 177.7 | -69 | 177 | 173.2 | 0 | 0 | 111.5 | R76 L78 L82 E83 E84 | R76-E80 PolarHBondContact O-N 3.47Å; L78-E80 PolarHBondContact O-N 2.69Å; E80-L82 VanDerWaalsContact C-N 3.33Å; E80-L82 PolarHBondContact O-N 3.37Å; E80-E83 PolarHBondContact O-N 3.11Å; E80-E84 PolarHBondContact O-N 2.89Å |
| 81 | R | 87.7 | Confident | 87.9 | Confident | 115 Ų | 115 | 93.2 Ų | 93.2 | 43% | 0.434 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -70.7 | -26.3 | 178.8 | -66.8 | -178.4 | -167 | -89 | 2.8 | 114.1 | V23 D77 L78 L79 | V23-R81 HydrophobicContact CG1-CB 3.69Å; V23-R81 HydrophobicContact CG1-CG 4.45Å; D77-R81 VanDerWaalsContact O-CG 3.28Å; D77-R81 WeakPolarHBondContact O-CG 3.4Å; D77-R81 PolarHBondContact O-N 3.23Å; L78-R81 PolarHBondContact O-N 3.41Å; L79-R81 VanDerWaalsContact C-N 3.34Å; L79-R81 PolarHBondContact O-N 3.03Å |
| 82 | L | 87.9 | Confident | 87.6 | Confident | 30 Ų | 30 | 95.9 Ų | 95.9 | 16% | 0.157 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -77.7 | -36.4 | 176.8 | -71.5 | 179.9 | 0 | 0 | 0 | 111 | M20 L78 L79 E80 E84 L85 F86 | M20-L82 HydrophobicContact CB-CD2 3.66Å; M20-L82 HydrophobicContact CE-CD1 4.19Å; M20-L82 HydrophobicContact CE-CD2 3.98Å; M20-L82 HydrophobicContact CG-CD2 3.73Å; L78-L82 HydrophobicContact CD1-CD1 3.91Å; L78-L82 HydrophobicContact CD1-CD2 4.25Å; L78-L82 HydrophobicContact CD1-CG 3.85Å; L78-L82 HydrophobicContact CD2-CD1 4.35Å; L78-L82 HydrophobicContact CG-CD1 3.76Å; L78-L82 HydrophobicContact CG-CG 4.11Å; L78-L82 WeakPolarHBondContact O-CB 3.39Å; L78-L82 WeakPolarHBondContact O-CG 3.35Å; L78-L82 PolarHBondContact O-N 3.09Å; L79-L82 PolarHBondContact O-N 3.08Å; L79-L82 VanDerWaalsContact O-N 3.13Å; E80-L82 VanDerWaalsContact C-N 3.33Å; E80-L82 PolarHBondContact O-N 3.37Å; L82-E84 VanDerWaalsContact C-N 3.27Å; L82-E84 PolarHBondContact O-N 3.21Å; L82-L85 HydrophobicContact CD2-CD1 3.88Å; L82-L85 WeakPolarHBondContact O-CB 3.3Å; L82-L85 PolarHBondContact O-N 3.47Å; L82-F86 VanDerWaalsContact O-CD2 3.23Å; L82-F86 WeakPolarHBondContact O-CD2 2.92Å |
| 83 | E | 85.7 | Confident | 87.2 | Confident | 112 Ų | 112 | 94.5 Ų | 94.5 | 52% | 0.523 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -59.9 | -38.7 | 174.2 | -73.9 | 178.4 | 178 | 0 | 0 | 111.6 | L79 E80 L85 F86 | L79-E83 WeakPolarHBondContact O-CG 3.1Å; L79-E83 PolarHBondContact O-N 2.98Å; E80-E83 PolarHBondContact O-N 3.11Å; E83-L85 PolarHBondContact O-N 2.75Å; E83-L85 VanDerWaalsContact O-N 3.14Å; E83-F86 PolarHBondContact O-N 3.18Å; E83-F86 VanDerWaalsContact O-N 3.14Å |
| 84 | E | 85 | Confident | 86.8 | Confident | 133 Ų | 133 | 97.4 Ų | 97.4 | 62% | 0.621 | 45% | 0.452 | S | S | * | . | G | 310 helix | trans | -60.6 | -19.3 | 173.5 | -69.1 | 175.9 | 177.2 | 0 | 0 | 114 | E80 L82 F86 | E80-E84 PolarHBondContact O-N 2.89Å; L82-E84 VanDerWaalsContact C-N 3.27Å; L82-E84 PolarHBondContact O-N 3.21Å; E84-F86 VanDerWaalsContact C-N 3.32Å |
| 85 | L | 80.2 | Confident | 86.3 | Confident | 45 Ų | 45 | 103.8 Ų | 103.8 | 24% | 0.236 | 48% | 0.481 | C | S | . | . | G | 310 helix | trans | -81.8 | -10.5 | 178.8 | -62.8 | 175.9 | 0 | 0 | 0 | 113.6 | K19 M20 V23 L82 E83 | K19-L85 HydrophobicContact CB-CD1 4.19Å; K19-L85 HydrophobicContact CB-CD2 4.08Å; M20-L85 HydrophobicContact CB-CD1 4.15Å; M20-L85 HydrophobicContact CG-CD1 3.56Å; V23-L85 HydrophobicContact CG2-CD1 4.42Å; L82-L85 HydrophobicContact CD2-CD1 3.88Å; L82-L85 WeakPolarHBondContact O-CB 3.3Å; L82-L85 PolarHBondContact O-N 3.47Å; E83-L85 PolarHBondContact O-N 2.75Å; E83-L85 VanDerWaalsContact O-N 3.14Å |
| 86 | F | 75.8 | Confident | 85.7 | Confident | 144 Ų | 144 | 104.9 Ų | 104.9 | 63% | 0.632 | 49% | 0.488 | S | S | * | . | G | 310 helix | trans | -105.4 | 2.1 | -178.3 | -67.2 | -79.3 | 0 | 0 | 0 | 113.9 | V16 M20 L82 E83 E84 | V16-F86 HydrophobicContact CG1-CE1 4.07Å; V16-F86 HydrophobicContact CG1-CZ 4.25Å; M20-F86 HydrophobicContact CE-CE2 4.27Å; M20-F86 HydrophobicContact CE-CZ 4.22Å; M20-F86 HydrophobicContact SD-CE2 4.4Å; M20-F86 HydrophobicContact SD-CZ 3.99Å; L82-F86 VanDerWaalsContact O-CD2 3.23Å; L82-F86 WeakPolarHBondContact O-CD2 2.92Å; E83-F86 PolarHBondContact O-N 3.18Å; E83-F86 VanDerWaalsContact O-N 3.14Å; E84-F86 VanDerWaalsContact C-N 3.32Å |
| 87 | I | 66.5 | Low | 84.9 | Confident | 203 Ų | 203 | 100.4 Ų | 100.4 | 100% | 1.041 | 48% | 0.479 | S | S | * | . | trans | -104 | 0 | 179.2 | -54.5 | 174.1 | 0 | 0 | 0 | 109.5 |
Retrieved 87 of 87 residues in 82.3 ms
(Link to these results)