| 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 | 57.5 | Low | 79 | Confident | 243 Ų | 243 | 112.6 Ų | 112.6 | 100% | 1.197 | 62% | 0.618 | S | S | * | * | 0 | 114.5 | 0 | -73.1 | 176.4 | -169.2 | 0 | 0 | 107.6 | S3 | M1-S3 PolarHBondContact O-N 3.11Š| |||
| 2 | L | 63.1 | Low | 80 | Confident | 177 Ų | 177 | 116.6 Ų | 116.6 | 93% | 0.927 | 62% | 0.617 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 119.7 | 171.6 | -71.6 | 162.8 | 0 | 0 | 0 | 107.2 | A4 | L2-A4 PolarHBondContact O-N 2.99Å; L2-A4 VanDerWaalsContact O-N 3.09Å |
| 3 | S | 72.6 | Confident | 80.9 | Confident | 114 Ų | 114 | 116.2 Ų | 116.2 | 80% | 0.797 | 61% | 0.614 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 118.6 | 172 | 57 | 0 | 0 | 0 | 0 | 107.8 | M1 F5 | M1-S3 PolarHBondContact O-N 3.11Å; S3-F5 PolarHBondContact O-N 3.23Å; S3-F5 VanDerWaalsContact O-N 3.15Å |
| 4 | A | 80.6 | Confident | 81.9 | Confident | 85 Ų | 85 | 111.2 Ų | 111.2 | 70% | 0.702 | 59% | 0.585 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 123.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 109.1 | L2 T6 | L2-A4 PolarHBondContact O-N 2.99Å; L2-A4 VanDerWaalsContact O-N 3.09Å; A4-T6 PolarHBondContact O-N 3.04Å; A4-T6 VanDerWaalsContact O-N 3.1Å; A4-T6 PolarHBondContact O-OG1 3.18Å |
| 5 | F | 79.2 | Confident | 82.6 | Confident | 182 Ų | 182 | 109.1 Ų | 109.1 | 80% | 0.798 | 58% | 0.578 | S | S | * | * | P | Polyproline II helix | trans | -54.2 | 121.1 | 178.3 | 171.1 | -99.7 | 0 | 0 | 0 | 109.2 | S3 P7 | S3-F5 PolarHBondContact O-N 3.23Å; S3-F5 VanDerWaalsContact O-N 3.15Å; F5-P7 HydrophobicContact CE1-CB 3.92Å; F5-P7 HydrophobicContact CE1-CG 4.47Å; F5-P7 HydrophobicContact CZ-CB 4.39Å |
| 6 | T | 78.5 | Confident | 83.3 | Confident | 57 Ų | 57 | 105.2 Ų | 105.2 | 35% | 0.35 | 57% | 0.566 | S | S | . | * | trans | -107.3 | 111.4 | 176.4 | -64.3 | 0 | 0 | 0 | 0 | 107.9 | A4 R12 | A4-T6 PolarHBondContact O-N 3.04Å; A4-T6 VanDerWaalsContact O-N 3.1Å; A4-T6 PolarHBondContact O-OG1 3.18Å; T6-R12 VanDerWaalsContact CG2-CD 3.49Å | ||
| 7 | P | 81.8 | Confident | 83.9 | Confident | 84 Ų | 84 | 108.5 Ų | 108.5 | 55% | 0.545 | 58% | 0.584 | S | S | . | * | S | Bend | trans | -62.6 | 140.9 | 176.5 | 24.4 | -31.8 | 0 | 0 | 0 | 110.6 | F5 | F5-P7 HydrophobicContact CE1-CB 3.92Å; F5-P7 HydrophobicContact CE1-CG 4.47Å; F5-P7 HydrophobicContact CZ-CB 4.39Å |
| 8 | R | 84.8 | Confident | 84.4 | Confident | 99 Ų | 99 | 109.8 Ų | 109.8 | 37% | 0.374 | 59% | 0.586 | S | S | . | * | S | Bend | trans | 55.7 | 57 | 177 | -54.1 | 178.7 | -179.9 | -96.7 | -1.8 | 113.9 | L10 K11 R12 S77 | R8-L10 VanDerWaalsContact C-N 3.34Å; R8-L10 PolarHBondContact O-N 3.48Å; R8-K11 HydrophobicContact CB-CB 4.01Å; R8-K11 WeakPolarHBondContact O-CB 3.49Å; R8-K11 PolarHBondContact O-N 3.24Å; R8-K11 VanDerWaalsContact O-N 3.14Å; R8-R12 PolarHBondContact O-N 3.21Å; R8-S77 VanDerWaalsContact CZ-OG 3.29Å; R8-S77 VanDerWaalsContact NH1-CB 3.27Å; R8-S77 PolarHBondContact NH1-OG 3.46Å |
| 9 | P | 88.4 | Confident | 84.8 | Confident | 84 Ų | 84 | 106.2 Ų | 106.2 | 55% | 0.545 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -60.4 | -38.8 | -175.6 | 25.2 | -34 | 0 | 0 | 0 | 113.1 | K11 R12 L13 | P9-K11 VanDerWaalsContact C-N 3.35Å; P9-K11 PolarHBondContact O-N 2.81Å; P9-R12 WeakPolarHBondContact O-CB 3.29Å; P9-R12 PolarHBondContact O-N 2.81Å; P9-L13 PolarHBondContact O-N 2.85Å |
| 10 | L | 90.4 | Very high | 85.4 | Confident | 75 Ų | 75 | 102.1 Ų | 102.1 | 39% | 0.393 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -62.1 | -41.6 | 176.8 | -67.5 | -175.1 | 0 | 0 | 0 | 112.3 | R8 R12 L13 F14 M40 P76 | R8-L10 VanDerWaalsContact C-N 3.34Å; R8-L10 PolarHBondContact O-N 3.48Å; L10-R12 VanDerWaalsContact C-N 3.28Å; L10-R12 PolarHBondContact O-N 3.09Å; L10-L13 WeakPolarHBondContact O-CB 3.05Å; L10-L13 PolarHBondContact O-N 2.83Å; L10-L13 VanDerWaalsContact O-N 3.16Å; L10-F14 VanDerWaalsContact O-CD2 3.28Å; L10-F14 WeakPolarHBondContact O-CD2 3.11Å; L10-F14 PolarHBondContact O-N 3.31Å; L10-M40 HydrophobicContact CB-CE 4.34Å; L10-M40 HydrophobicContact CB-SD 4.36Å; L10-P76 HydrophobicContact CD1-CG 3.67Å; L10-P76 HydrophobicContact CG-CG 4.43Å |
| 11 | K | 91.9 | Very high | 85.9 | Confident | 39 Ų | 39 | 100 Ų | 100 | 17% | 0.17 | 54% | 0.537 | C | S | . | . | H | α-helix | trans | -58.6 | -45.7 | 177.6 | -174.1 | 167.8 | -171 | 165.6 | 0 | 110.5 | R8 P9 L13 F14 T15 M40 L41 C43 | R8-K11 HydrophobicContact CB-CB 4.01Å; R8-K11 WeakPolarHBondContact O-CB 3.49Å; R8-K11 PolarHBondContact O-N 3.24Å; R8-K11 VanDerWaalsContact O-N 3.14Å; P9-K11 VanDerWaalsContact C-N 3.35Å; P9-K11 PolarHBondContact O-N 2.81Å; K11-L13 PolarHBondContact O-N 2.95Å; K11-F14 PolarHBondContact O-N 3.44Å; K11-T15 WeakPolarHBondContact O-CB 3.43Å; K11-T15 WeakPolarHBondContact O-CG2 3.26Å; K11-T15 PolarHBondContact O-N 2.92Å; K11-T15 PolarHBondContact O-OG1 3.25Å; K11-M40 HydrophobicContact CB-SD 3.98Å; K11-L41 HydrophobicContact CB-CD2 4.43Å; K11-L41 WeakPolarHBondContact CE-O 3.41Å; K11-L41 HydrophobicContact CG-CD2 3.86Å; K11-L41 PolarHBondContact NZ-O 2.6Å; K11-C43 PolarHBondContact NZ-O 3Å |
| 12 | R | 91 | Very high | 87.7 | Confident | 160 Ų | 160 | 91.8 Ų | 91.8 | 60% | 0.604 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -59.6 | -47.1 | 175.6 | -70.1 | -169.7 | 66.3 | -159.3 | -4.8 | 111.9 | T6 R8 P9 L10 F14 T15 A16 | T6-R12 VanDerWaalsContact CG2-CD 3.49Å; R8-R12 PolarHBondContact O-N 3.21Å; P9-R12 WeakPolarHBondContact O-CB 3.29Å; P9-R12 PolarHBondContact O-N 2.81Å; L10-R12 VanDerWaalsContact C-N 3.28Å; L10-R12 PolarHBondContact O-N 3.09Å; R12-F14 PolarHBondContact O-N 3.15Å; R12-T15 WeakPolarHBondContact CA-OG1 3.47Å; R12-T15 PolarHBondContact O-N 3.41Å; R12-T15 PolarHBondContact O-OG1 3.1Å; R12-T15 VanDerWaalsContact O-OG1 3.05Å; R12-A16 WeakPolarHBondContact O-CB 3.46Å; R12-A16 PolarHBondContact O-N 2.71Å |
| 13 | L | 92.3 | Very high | 89.2 | Confident | 112 Ų | 112 | 88.1 Ų | 88.1 | 59% | 0.586 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -55.2 | -49.9 | 179.5 | -177.6 | 68.8 | 0 | 0 | 0 | 111.8 | P9 L10 K11 T15 A16 | P9-L13 PolarHBondContact O-N 2.85Å; L10-L13 WeakPolarHBondContact O-CB 3.05Å; L10-L13 PolarHBondContact O-N 2.83Å; L10-L13 VanDerWaalsContact O-N 3.16Å; K11-L13 PolarHBondContact O-N 2.95Å; L13-T15 PolarHBondContact O-N 3.29Å; L13-A16 PolarHBondContact O-N 3.14Å |
| 14 | F | 94.1 | Very high | 90.3 | Very high | 46 Ų | 46 | 86 Ų | 86 | 20% | 0.202 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -73.7 | -25.3 | -178.1 | -79.6 | -75.3 | 0 | 0 | 0 | 113.6 | L10 K11 R12 W20 V37 M40 L41 | L10-F14 VanDerWaalsContact O-CD2 3.28Å; L10-F14 WeakPolarHBondContact O-CD2 3.11Å; L10-F14 PolarHBondContact O-N 3.31Å; K11-F14 PolarHBondContact O-N 3.44Å; R12-F14 PolarHBondContact O-N 3.15Å; F14-W20 HydrophobicContact CB-CB 4.23Å; F14-W20 HydrophobicContact CD1-CB 4.37Å; F14-W20 HydrophobicContact CD1-CD2 4.45Å; F14-W20 AromaticContact CD1-CE3 3.86Å; F14-W20 HydrophobicContact CD1-CE3 3.86Å; F14-W20 HydrophobicContact CE1-CE3 4.1Å; F14-W20 HydrophobicContact CE1-CZ3 4.46Å; F14-W20 VanDerWaalsContact O-CB 3.24Å; F14-W20 WeakPolarHBondContact O-CB 3.44Å; F14-W20 PolarHBondContact O-N 2.84Å; F14-V37 HydrophobicContact CD1-CG1 3.91Å; F14-V37 HydrophobicContact CD2-CG1 4.33Å; F14-V37 HydrophobicContact CE1-CG1 4.14Å; F14-V37 HydrophobicContact CE1-CG2 4.39Å; F14-V37 HydrophobicContact CG-CG1 4.02Å; F14-V37 HydrophobicContact CZ-CG1 4.46Å; F14-V37 HydrophobicContact CZ-CG2 4.22Å; F14-M40 HydrophobicContact CD2-CE 3.69Å; F14-M40 HydrophobicContact CE2-CE 4.27Å; F14-M40 HydrophobicContact CG-CE 4.36Å; F14-L41 HydrophobicContact CB-CD1 4.25Å; F14-L41 HydrophobicContact CB-CD2 3.85Å; F14-L41 HydrophobicContact CB-CG 4.44Å |
| 15 | T | 92.4 | Very high | 91.1 | Very high | 79 Ų | 79 | 88.3 Ų | 88.3 | 49% | 0.485 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -86.2 | -20.7 | 175.3 | 56.2 | 0 | 0 | 0 | 0 | 114.2 | K11 R12 L13 N17 Q18 L41 | K11-T15 WeakPolarHBondContact O-CB 3.43Å; K11-T15 WeakPolarHBondContact O-CG2 3.26Å; K11-T15 PolarHBondContact O-N 2.92Å; K11-T15 PolarHBondContact O-OG1 3.25Å; R12-T15 WeakPolarHBondContact CA-OG1 3.47Å; R12-T15 PolarHBondContact O-N 3.41Å; R12-T15 PolarHBondContact O-OG1 3.1Å; R12-T15 VanDerWaalsContact O-OG1 3.05Å; L13-T15 PolarHBondContact O-N 3.29Å; T15-N17 PolarHBondContact O-N 2.97Å; T15-Q18 PolarHBondContact O-N 3.32Å; T15-L41 HydrophobicContact CG2-CD2 3.85Å |
| 16 | A | 93.8 | Very high | 91.9 | Very high | 47 Ų | 47 | 83.7 Ų | 83.7 | 39% | 0.388 | 46% | 0.455 | S | S | . | . | G | 310 helix | trans | -60.4 | 131.2 | -178.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | R12 L13 Q18 C19 | R12-A16 WeakPolarHBondContact O-CB 3.46Å; R12-A16 PolarHBondContact O-N 2.71Å; L13-A16 PolarHBondContact O-N 3.14Å; A16-Q18 PolarHBondContact O-N 3.04Å; A16-C19 WeakPolarHBondContact O-CB 3.43Å; A16-C19 PolarHBondContact O-N 2.86Å |
| 17 | N | 93.9 | Very high | 92.7 | Very high | 162 Ų | 162 | 82.9 Ų | 82.9 | 87% | 0.866 | 46% | 0.458 | S | S | * | . | G | 310 helix | trans | 51.1 | 31.7 | 178.4 | -54.4 | -27.4 | 0 | 0 | 0 | 114.1 | T15 C19 | T15-N17 PolarHBondContact O-N 2.97Å; N17-C19 PolarHBondContact O-N 2.82Å; N17-C19 VanDerWaalsContact O-N 3.12Å |
| 18 | Q | 92.3 | Very high | 93.4 | Very high | 131 Ų | 131 | 83.2 Ų | 83.2 | 61% | 0.612 | 48% | 0.477 | S | S | * | . | G | 310 helix | trans | 56.1 | 26.7 | -176 | -60.9 | -68.4 | -32 | 0 | 0 | 113.5 | T15 A16 W20 T21 S22 | T15-Q18 PolarHBondContact O-N 3.32Å; A16-Q18 PolarHBondContact O-N 3.04Å; Q18-W20 VanDerWaalsContact C-N 3.28Å; Q18-W20 PolarHBondContact O-N 3.34Å; Q18-T21 WeakPolarHBondContact O-CB 3.41Å; Q18-T21 PolarHBondContact O-N 3.09Å; Q18-T21 PolarHBondContact OE1-OG1 3.04Å; Q18-S22 PolarHBondContact O-N 3.06Å; Q18-S22 PolarHBondContact O-OG 3.27Å |
| 19 | C | 93.2 | Very high | 93.8 | Very high | 42 Ų | 42 | 82.1 Ų | 82.1 | 28% | 0.284 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -52.9 | -43.1 | -173.2 | 176.3 | 0 | 0 | 0 | 0 | 112.9 | A16 N17 T21 S22 F23 | A16-C19 WeakPolarHBondContact O-CB 3.43Å; A16-C19 PolarHBondContact O-N 2.86Å; N17-C19 PolarHBondContact O-N 2.82Å; N17-C19 VanDerWaalsContact O-N 3.12Å; C19-T21 PolarHBondContact O-N 2.87Å; C19-S22 PolarHBondContact O-N 3.29Å; C19-F23 WeakPolarHBondContact O-CD2 3.4Å; C19-F23 PolarHBondContact O-N 3.09Å; C19-F23 WeakPolarHBondContact SG-CE2 3.37Å |
| 20 | W | 95.9 | Very high | 94.3 | Very high | 24 Ų | 24 | 87.5 Ų | 87.5 | 9% | 0.091 | 49% | 0.488 | C | S | . | . | H | α-helix | trans | -62.7 | -41.9 | 176.7 | -178.3 | -122.9 | 0 | 0 | 0 | 113.4 | F14 Q18 S22 F23 L24 L29 V34 V37 L41 | F14-W20 HydrophobicContact CB-CB 4.23Å; F14-W20 HydrophobicContact CD1-CB 4.37Å; F14-W20 HydrophobicContact CD1-CD2 4.45Å; F14-W20 AromaticContact CD1-CE3 3.86Å; F14-W20 HydrophobicContact CD1-CE3 3.86Å; F14-W20 HydrophobicContact CE1-CE3 4.1Å; F14-W20 HydrophobicContact CE1-CZ3 4.46Å; F14-W20 VanDerWaalsContact O-CB 3.24Å; F14-W20 WeakPolarHBondContact O-CB 3.44Å; F14-W20 PolarHBondContact O-N 2.84Å; Q18-W20 VanDerWaalsContact C-N 3.28Å; Q18-W20 PolarHBondContact O-N 3.34Å; W20-S22 VanDerWaalsContact C-N 3.35Å; W20-S22 PolarHBondContact O-N 3.25Å; W20-F23 HydrophobicContact CE3-CB 4.06Å; W20-F23 HydrophobicContact CZ3-CB 4.25Å; W20-F23 WeakPolarHBondContact O-CB 3.28Å; W20-F23 PolarHBondContact O-N 3.4Å; W20-L24 HydrophobicContact CD2-CG 4.33Å; W20-L24 HydrophobicContact CH2-CD2 3.98Å; W20-L24 HydrophobicContact CZ2-CD1 4.34Å; W20-L24 HydrophobicContact CZ2-CD2 3.6Å; W20-L24 HydrophobicContact CZ2-CG 4.02Å; W20-L24 WeakPolarHBondContact O-CG 3.38Å; W20-L24 PolarHBondContact O-N 3.47Å; W20-L29 HydrophobicContact CH2-CD1 3.77Å; W20-L29 HydrophobicContact CZ3-CD1 3.66Å; W20-V34 HydrophobicContact CH2-CB 4.43Å; W20-V34 HydrophobicContact CH2-CG2 4.19Å; W20-V34 HydrophobicContact CZ2-CB 4.41Å; W20-V34 HydrophobicContact CZ2-CG1 4.17Å; W20-V37 HydrophobicContact CD2-CB 4.47Å; W20-V37 HydrophobicContact CD2-CG1 3.61Å; W20-V37 HydrophobicContact CE3-CB 4.41Å; W20-V37 HydrophobicContact CE3-CG1 3.7Å; W20-V37 HydrophobicContact CG-CG1 4.27Å; W20-V37 HydrophobicContact CH2-CB 3.78Å; W20-V37 HydrophobicContact CH2-CG1 3.96Å; W20-V37 HydrophobicContact CH2-CG2 4.23Å; W20-V37 HydrophobicContact CZ2-CB 3.8Å; W20-V37 HydrophobicContact CZ2-CG1 3.84Å; W20-V37 HydrophobicContact CZ3-CB 4.09Å; W20-V37 HydrophobicContact CZ3-CG1 3.88Å; W20-V37 HydrophobicContact CZ3-CG2 4.28Å; W20-L41 HydrophobicContact CB-CD1 3.95Å; W20-L41 HydrophobicContact CD2-CD1 4.32Å; W20-L41 HydrophobicContact CG-CD1 3.55Å |
| 21 | T | 95.6 | Very high | 94.6 | Very high | 59 Ų | 59 | 90.6 Ų | 90.6 | 36% | 0.362 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -60.9 | -46.1 | 176.6 | -48.1 | 0 | 0 | 0 | 0 | 110.3 | Q18 C19 F23 L24 D25 | Q18-T21 WeakPolarHBondContact O-CB 3.41Å; Q18-T21 PolarHBondContact O-N 3.09Å; Q18-T21 PolarHBondContact OE1-OG1 3.04Å; C19-T21 PolarHBondContact O-N 2.87Å; T21-F23 VanDerWaalsContact C-N 3.28Å; T21-F23 PolarHBondContact O-N 2.98Å; T21-L24 WeakPolarHBondContact O-CB 3.4Å; T21-L24 PolarHBondContact O-N 3.49Å; T21-D25 PolarHBondContact O-N 3.25Å |
| 22 | S | 95.6 | Very high | 94.8 | Very high | 69 Ų | 69 | 93.7 Ų | 93.7 | 48% | 0.483 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -60.6 | -36 | 176.2 | -54.4 | 0 | 0 | 0 | 0 | 113.1 | Q18 C19 W20 A26 | Q18-S22 PolarHBondContact O-N 3.06Å; Q18-S22 PolarHBondContact O-OG 3.27Å; C19-S22 PolarHBondContact O-N 3.29Å; W20-S22 VanDerWaalsContact C-N 3.35Å; W20-S22 PolarHBondContact O-N 3.25Å; S22-A26 WeakPolarHBondContact O-CB 3.38Å; S22-A26 PolarHBondContact O-N 3.05Å |
| 23 | F | 94.5 | Very high | 94.9 | Very high | 100 Ų | 100 | 87.6 Ų | 87.6 | 44% | 0.439 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -67.4 | -36.9 | 174.2 | -86.4 | -58.8 | 0 | 0 | 0 | 112.9 | C19 W20 T21 G27 L29 | C19-F23 WeakPolarHBondContact O-CD2 3.4Å; C19-F23 PolarHBondContact O-N 3.09Å; C19-F23 WeakPolarHBondContact SG-CE2 3.37Å; W20-F23 HydrophobicContact CE3-CB 4.06Å; W20-F23 HydrophobicContact CZ3-CB 4.25Å; W20-F23 WeakPolarHBondContact O-CB 3.28Å; W20-F23 PolarHBondContact O-N 3.4Å; T21-F23 VanDerWaalsContact C-N 3.28Å; T21-F23 PolarHBondContact O-N 2.98Å; F23-G27 PolarHBondContact O-N 3.16Å; F23-L29 HydrophobicContact CB-CD1 4.19Å |
| 24 | L | 96.3 | Very high | 95.1 | Very high | 71 Ų | 71 | 84.1 Ų | 84.1 | 37% | 0.372 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -66.8 | -43.7 | 174.8 | -69.8 | 176.3 | 0 | 0 | 0 | 111.4 | W20 T21 A26 G27 V34 | W20-L24 HydrophobicContact CD2-CG 4.33Å; W20-L24 HydrophobicContact CH2-CD2 3.98Å; W20-L24 HydrophobicContact CZ2-CD1 4.34Å; W20-L24 HydrophobicContact CZ2-CD2 3.6Å; W20-L24 HydrophobicContact CZ2-CG 4.02Å; W20-L24 WeakPolarHBondContact O-CG 3.38Å; W20-L24 PolarHBondContact O-N 3.47Å; T21-L24 WeakPolarHBondContact O-CB 3.4Å; T21-L24 PolarHBondContact O-N 3.49Å; L24-A26 VanDerWaalsContact C-N 3.34Å; L24-A26 PolarHBondContact O-N 3.05Å; L24-G27 PolarHBondContact O-N 3.44Å; L24-G27 VanDerWaalsContact O-N 3.13Å; L24-V34 HydrophobicContact CD2-CG1 3.83Å; L24-V34 HydrophobicContact CD2-CG2 4.04Å |
| 25 | D | 96.8 | Very high | 95.2 | Very high | 133 Ų | 133 | 86.2 Ų | 86.2 | 71% | 0.711 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -65.4 | -36.6 | 179.7 | -65.2 | -25.7 | 0 | 0 | 0 | 112.3 | T21 G27 | T21-D25 PolarHBondContact O-N 3.25Å; D25-G27 PolarHBondContact O-N 2.89Å |
| 26 | A | 96.2 | Very high | 95.4 | Very high | 84 Ų | 84 | 83.5 Ų | 83.5 | 69% | 0.694 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -67.1 | -24.6 | 175 | 0 | 0 | 0 | 0 | 0 | 113 | S22 L24 | S22-A26 WeakPolarHBondContact O-CB 3.38Å; S22-A26 PolarHBondContact O-N 3.05Å; L24-A26 VanDerWaalsContact C-N 3.34Å; L24-A26 PolarHBondContact O-N 3.05Å |
| 27 | G | 94.9 | Very high | 95.4 | Very high | 40 Ų | 40 | 82.4 Ų | 82.4 | 41% | 0.412 | 48% | 0.476 | S | S | . | . | trans | 68.1 | -163.8 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | F23 L24 D25 L29 | F23-G27 PolarHBondContact O-N 3.16Å; L24-G27 PolarHBondContact O-N 3.44Å; L24-G27 VanDerWaalsContact O-N 3.13Å; D25-G27 PolarHBondContact O-N 2.89Å; G27-L29 PolarHBondContact O-N 3.26Å | ||
| 28 | G | 96.1 | Very high | 95.5 | Very high | 92 Ų | 92 | 77.8 Ų | 77.8 | 95% | 0.948 | 45% | 0.454 | S | S | * | . | trans | 76.5 | -0.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 29 | L | 95.2 | Very high | 95.7 | Very high | 75 Ų | 75 | 75.5 Ų | 75.5 | 39% | 0.393 | 44% | 0.442 | S | S | . | . | trans | -81 | 145.3 | 174.4 | -62 | 178.6 | 0 | 0 | 0 | 111.1 | W20 F23 G27 V34 | W20-L29 HydrophobicContact CH2-CD1 3.77Å; W20-L29 HydrophobicContact CZ3-CD1 3.66Å; F23-L29 HydrophobicContact CB-CD1 4.19Å; G27-L29 PolarHBondContact O-N 3.26Å; L29-V34 HydrophobicContact CB-CG2 3.74Å; L29-V34 HydrophobicContact CD1-CG2 4.21Å | ||
| 30 | R | 97.2 | Very high | 95.8 | Very high | 198 Ų | 198 | 74 Ų | 74 | 75% | 0.747 | 43% | 0.431 | S | S | * | . | trans | -70.4 | 141.3 | 171 | -62.4 | -177.1 | -65.6 | 172.9 | -0.8 | 110.2 | I32 G33 V34 | R30-I32 VanDerWaalsContact C-N 3.26Å; R30-I32 HydrophobicContact CB-CG2 4.2Å; R30-I32 PolarHBondContact O-N 3.43Å; R30-G33 WeakPolarHBondContact O-CA 3.43Å; R30-G33 PolarHBondContact O-N 2.92Å; R30-V34 PolarHBondContact O-N 2.88Å; R30-V34 VanDerWaalsContact O-N 3.09Å | ||
| 31 | D | 96.7 | Very high | 95.8 | Very high | 139 Ų | 139 | 74.1 Ų | 74.1 | 74% | 0.743 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -51.6 | -43.6 | 179.4 | -61 | -20.3 | 0 | 0 | 0 | 112.9 | G33 V34 E35 | D31-G33 VanDerWaalsContact C-N 3.27Å; D31-G33 PolarHBondContact O-N 3.03Å; D31-V34 WeakPolarHBondContact O-CB 3.49Å; D31-V34 PolarHBondContact O-N 3.33Å; D31-V34 VanDerWaalsContact O-N 3.15Å; D31-E35 WeakPolarHBondContact O-CB 3.47Å; D31-E35 PolarHBondContact O-N 2.77Å |
| 32 | I | 96.1 | Very high | 95.8 | Very high | 105 Ų | 105 | 71.8 Ų | 71.8 | 54% | 0.538 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -62.4 | -33.5 | 178.6 | -171.9 | 58.2 | 0 | 0 | 0 | 112.9 | R30 A36 | R30-I32 VanDerWaalsContact C-N 3.26Å; R30-I32 HydrophobicContact CB-CG2 4.2Å; R30-I32 PolarHBondContact O-N 3.43Å; I32-A36 WeakPolarHBondContact O-CB 3.5Å; I32-A36 PolarHBondContact O-N 3.37Å |
| 33 | G | 94.4 | Very high | 95.8 | Very high | 31 Ų | 31 | 68.6 Ų | 68.6 | 32% | 0.32 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -70.8 | -43.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | R30 D31 A36 V37 | R30-G33 WeakPolarHBondContact O-CA 3.43Å; R30-G33 PolarHBondContact O-N 2.92Å; D31-G33 VanDerWaalsContact C-N 3.27Å; D31-G33 PolarHBondContact O-N 3.03Å; G33-A36 PolarHBondContact O-N 3.44Å; G33-V37 WeakPolarHBondContact O-CG2 3.32Å; G33-V37 PolarHBondContact O-N 3.47Å |
| 34 | V | 96.7 | Very high | 95.8 | Very high | 39 Ų | 39 | 65 Ų | 65 | 24% | 0.236 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -59.9 | -48.1 | 175 | 173.4 | 0 | 0 | 0 | 0 | 110.9 | W20 L24 L29 R30 D31 T38 | W20-V34 HydrophobicContact CH2-CB 4.43Å; W20-V34 HydrophobicContact CH2-CG2 4.19Å; W20-V34 HydrophobicContact CZ2-CB 4.41Å; W20-V34 HydrophobicContact CZ2-CG1 4.17Å; L24-V34 HydrophobicContact CD2-CG1 3.83Å; L24-V34 HydrophobicContact CD2-CG2 4.04Å; L29-V34 HydrophobicContact CB-CG2 3.74Å; L29-V34 HydrophobicContact CD1-CG2 4.21Å; R30-V34 PolarHBondContact O-N 2.88Å; R30-V34 VanDerWaalsContact O-N 3.09Å; D31-V34 WeakPolarHBondContact O-CB 3.49Å; D31-V34 PolarHBondContact O-N 3.33Å; D31-V34 VanDerWaalsContact O-N 3.15Å; V34-T38 WeakPolarHBondContact O-CB 2.98Å; V34-T38 PolarHBondContact O-N 3.33Å; V34-T38 PolarHBondContact O-OG1 3.48Å |
| 35 | E | 96.1 | Very high | 95.7 | Very high | 91 Ų | 91 | 63.2 Ų | 63.2 | 43% | 0.425 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -61.7 | -46.4 | 178.4 | -170.4 | -170.3 | 154.4 | 0 | 0 | 111.4 | D31 T38 K39 | D31-E35 WeakPolarHBondContact O-CB 3.47Å; D31-E35 PolarHBondContact O-N 2.77Å; E35-T38 PolarHBondContact O-N 2.84Å; E35-K39 HydrophobicContact CG-CD 4.13Å; E35-K39 WeakPolarHBondContact O-CB 3.28Å; E35-K39 WeakPolarHBondContact O-CG 3.31Å; E35-K39 PolarHBondContact O-N 3.41Å; E35-K39 VanDerWaalsContact OE1-CE 3.27Å; E35-K39 WeakPolarHBondContact OE1-CE 3.41Å; E35-K39 IonicContact OE1-NZ 2.6Å; E35-K39 PolarHBondContact OE1-NZ 3.19Å |
| 36 | A | 95.2 | Very high | 95.7 | Very high | 22 Ų | 22 | 64.2 Ų | 64.2 | 18% | 0.182 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -61.4 | -48.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | I32 G33 M40 A74 | I32-A36 WeakPolarHBondContact O-CB 3.5Å; I32-A36 PolarHBondContact O-N 3.37Å; G33-A36 PolarHBondContact O-N 3.44Å; A36-M40 WeakPolarHBondContact O-CB 3.31Å; A36-M40 PolarHBondContact O-N 2.93Å; A36-A74 HydrophobicContact CB-CB 3.8Å |
| 37 | V | 95.3 | Very high | 95.7 | Very high | 24 Ų | 24 | 66.9 Ų | 66.9 | 15% | 0.145 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -67.6 | -43 | 179.1 | 176.7 | 0 | 0 | 0 | 0 | 110.5 | F14 W20 G33 K39 M40 L41 | F14-V37 HydrophobicContact CD1-CG1 3.91Å; F14-V37 HydrophobicContact CD2-CG1 4.33Å; F14-V37 HydrophobicContact CE1-CG1 4.14Å; F14-V37 HydrophobicContact CE1-CG2 4.39Å; F14-V37 HydrophobicContact CG-CG1 4.02Å; F14-V37 HydrophobicContact CZ-CG1 4.46Å; F14-V37 HydrophobicContact CZ-CG2 4.22Å; W20-V37 HydrophobicContact CD2-CB 4.47Å; W20-V37 HydrophobicContact CD2-CG1 3.61Å; W20-V37 HydrophobicContact CE3-CB 4.41Å; W20-V37 HydrophobicContact CE3-CG1 3.7Å; W20-V37 HydrophobicContact CG-CG1 4.27Å; W20-V37 HydrophobicContact CH2-CB 3.78Å; W20-V37 HydrophobicContact CH2-CG1 3.96Å; W20-V37 HydrophobicContact CH2-CG2 4.23Å; W20-V37 HydrophobicContact CZ2-CB 3.8Å; W20-V37 HydrophobicContact CZ2-CG1 3.84Å; W20-V37 HydrophobicContact CZ3-CB 4.09Å; W20-V37 HydrophobicContact CZ3-CG1 3.88Å; W20-V37 HydrophobicContact CZ3-CG2 4.28Å; G33-V37 WeakPolarHBondContact O-CG2 3.32Å; G33-V37 PolarHBondContact O-N 3.47Å; V37-K39 PolarHBondContact O-N 2.7Å; V37-M40 HydrophobicContact CG1-CE 4.11Å; V37-M40 PolarHBondContact O-N 3.39Å; V37-L41 HydrophobicContact CG1-CD1 3.97Å; V37-L41 HydrophobicContact CG1-CG 4.2Å; V37-L41 WeakPolarHBondContact O-CB 3.41Å; V37-L41 WeakPolarHBondContact O-CG 3.34Å; V37-L41 PolarHBondContact O-N 3Å |
| 38 | T | 95.9 | Very high | 95.7 | Very high | 64 Ų | 64 | 67.9 Ų | 67.9 | 39% | 0.393 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -61.1 | -45.5 | 178.5 | -58.8 | 0 | 0 | 0 | 0 | 111.5 | V34 E35 M40 L41 A42 | V34-T38 WeakPolarHBondContact O-CB 2.98Å; V34-T38 PolarHBondContact O-N 3.33Å; V34-T38 PolarHBondContact O-OG1 3.48Å; E35-T38 PolarHBondContact O-N 2.84Å; T38-M40 PolarHBondContact O-N 2.98Å; T38-L41 PolarHBondContact O-N 3.49Å; T38-A42 WeakPolarHBondContact O-CB 3.34Å; T38-A42 PolarHBondContact O-N 3.5Å |
| 39 | K | 96.2 | Very high | 95.7 | Very high | 84 Ų | 84 | 64.9 Ų | 64.9 | 37% | 0.365 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -61.3 | -43.8 | 174.2 | -77.3 | 179.3 | 173.4 | 175.9 | 0 | 111.9 | E35 V37 L41 A42 C43 C70 | E35-K39 HydrophobicContact CG-CD 4.13Å; E35-K39 WeakPolarHBondContact O-CB 3.28Å; E35-K39 WeakPolarHBondContact O-CG 3.31Å; E35-K39 PolarHBondContact O-N 3.41Å; E35-K39 VanDerWaalsContact OE1-CE 3.27Å; E35-K39 WeakPolarHBondContact OE1-CE 3.41Å; E35-K39 IonicContact OE1-NZ 2.6Å; E35-K39 PolarHBondContact OE1-NZ 3.19Å; V37-K39 PolarHBondContact O-N 2.7Å; K39-L41 PolarHBondContact O-N 3.19Å; K39-A42 PolarHBondContact O-N 2.91Å; K39-C43 PolarHBondContact O-N 3.01Å; K39-C70 HydrophobicContact CB-CB 4.14Å; K39-C70 VanDerWaalsContact O-CB 3.28Å; K39-C70 WeakPolarHBondContact O-CB 3.47Å |
| 40 | M | 95.7 | Very high | 95.9 | Very high | 11 Ų | 11 | 63.7 Ų | 63.7 | 5% | 0.054 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -61.7 | -41.6 | 177.2 | 177.8 | -78.4 | -62.4 | 0 | 0 | 112 | L10 K11 F14 A36 V37 T38 C43 C75 | L10-M40 HydrophobicContact CB-CE 4.34Å; L10-M40 HydrophobicContact CB-SD 4.36Å; K11-M40 HydrophobicContact CB-SD 3.98Å; F14-M40 HydrophobicContact CD2-CE 3.69Å; F14-M40 HydrophobicContact CE2-CE 4.27Å; F14-M40 HydrophobicContact CG-CE 4.36Å; A36-M40 WeakPolarHBondContact O-CB 3.31Å; A36-M40 PolarHBondContact O-N 2.93Å; V37-M40 HydrophobicContact CG1-CE 4.11Å; V37-M40 PolarHBondContact O-N 3.39Å; T38-M40 PolarHBondContact O-N 2.98Å; M40-C43 VanDerWaalsContact O-CB 3.31Å; M40-C43 WeakPolarHBondContact O-CB 3.48Å; M40-C43 PolarHBondContact O-N 3.33Å; M40-C75 HydrophobicContact CB-CB 4.22Å; M40-C75 HydrophobicContact CG-CB 4.32Å |
| 41 | L | 95.8 | Very high | 95.9 | Very high | 25 Ų | 25 | 59.9 Ų | 59.9 | 13% | 0.131 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -68.6 | -38.7 | 176 | -71.5 | 179.8 | 0 | 0 | 0 | 112.5 | K11 F14 T15 W20 V37 T38 K39 C43 | K11-L41 HydrophobicContact CB-CD2 4.43Å; K11-L41 WeakPolarHBondContact CE-O 3.41Å; K11-L41 HydrophobicContact CG-CD2 3.86Å; K11-L41 PolarHBondContact NZ-O 2.6Å; F14-L41 HydrophobicContact CB-CD1 4.25Å; F14-L41 HydrophobicContact CB-CD2 3.85Å; F14-L41 HydrophobicContact CB-CG 4.44Å; T15-L41 HydrophobicContact CG2-CD2 3.85Å; W20-L41 HydrophobicContact CB-CD1 3.95Å; W20-L41 HydrophobicContact CD2-CD1 4.32Å; W20-L41 HydrophobicContact CG-CD1 3.55Å; V37-L41 HydrophobicContact CG1-CD1 3.97Å; V37-L41 HydrophobicContact CG1-CG 4.2Å; V37-L41 WeakPolarHBondContact O-CB 3.41Å; V37-L41 WeakPolarHBondContact O-CG 3.34Å; V37-L41 PolarHBondContact O-N 3Å; T38-L41 PolarHBondContact O-N 3.49Å; K39-L41 PolarHBondContact O-N 3.19Å; L41-C43 VanDerWaalsContact C-N 3.3Å; L41-C43 PolarHBondContact O-N 3.48Å |
| 42 | A | 95.7 | Very high | 95.9 | Very high | 11 Ų | 11 | 57.5 Ų | 57.5 | 9% | 0.091 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -69.7 | -28.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | T38 K39 G44 T45 I47 L48 | T38-A42 WeakPolarHBondContact O-CB 3.34Å; T38-A42 PolarHBondContact O-N 3.5Å; K39-A42 PolarHBondContact O-N 2.91Å; A42-G44 PolarHBondContact O-N 2.69Å; A42-T45 WeakPolarHBondContact O-CB 3.35Å; A42-T45 WeakPolarHBondContact O-CG2 3.27Å; A42-T45 PolarHBondContact O-N 3.39Å; A42-T45 PolarHBondContact O-OG1 3.29Å; A42-I47 HydrophobicContact CB-CG2 4.31Å; A42-L48 HydrophobicContact CB-CD1 4.16Å; A42-L48 HydrophobicContact CB-CD2 3.93Å; A42-L48 HydrophobicContact CB-CG 3.89Å |
| 43 | C | 95.9 | Very high | 95.9 | Very high | 1 Ų | 1 | 57.7 Ų | 57.7 | 1% | 0.007 | 30% | 0.304 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.6 | 129.4 | -178.1 | -170.6 | 0 | 0 | 0 | 0 | 112.8 | K11 K39 M40 L41 T45 C70 | K11-C43 PolarHBondContact NZ-O 3Å; K39-C43 PolarHBondContact O-N 3.01Å; M40-C43 VanDerWaalsContact O-CB 3.31Å; M40-C43 WeakPolarHBondContact O-CB 3.48Å; M40-C43 PolarHBondContact O-N 3.33Å; L41-C43 VanDerWaalsContact C-N 3.3Å; L41-C43 PolarHBondContact O-N 3.48Å; C43-T45 PolarHBondContact O-N 3.46Å; C43-C70 HydrophobicContact CB-CB 3.87Å; C43-C70 PolarHBondContact SG-N 2.89Å |
| 44 | G | 93.9 | Very high | 96 | Very high | 24 Ų | 24 | 60.5 Ų | 60.5 | 25% | 0.247 | 31% | 0.312 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 72 | 9.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | A42 T67 N68 | A42-G44 PolarHBondContact O-N 2.69Å; G44-T67 WeakPolarHBondContact CA-OG1 3.22Å; G44-T67 WeakPolarHBondContact O-CB 3.36Å; G44-T67 PolarHBondContact O-OG1 3.44Å; G44-N68 PolarHBondContact N-O 2.89Å; G44-N68 VanDerWaalsContact N-O 3.09Å |
| 45 | T | 94.7 | Very high | 96 | Very high | 35 Ų | 35 | 61.6 Ų | 61.6 | 22% | 0.215 | 32% | 0.32 | C | S | . | . | S | Bend | trans | -100.9 | 170 | 168.6 | 75.1 | 0 | 0 | 0 | 0 | 110.5 | A42 C43 I47 | A42-T45 WeakPolarHBondContact O-CB 3.35Å; A42-T45 WeakPolarHBondContact O-CG2 3.27Å; A42-T45 PolarHBondContact O-N 3.39Å; A42-T45 PolarHBondContact O-OG1 3.29Å; C43-T45 PolarHBondContact O-N 3.46Å; T45-I47 PolarHBondContact O-N 2.88Å; T45-I47 VanDerWaalsContact OG1-CB 3.31Å; T45-I47 WeakPolarHBondContact OG1-CB 3.41Å; T45-I47 WeakPolarHBondContact OG1-CG1 3.24Å; T45-I47 PolarHBondContact OG1-N 3Å |
| 46 | R | 96.3 | Very high | 95.9 | Very high | 154 Ų | 154 | 65.1 Ų | 65.1 | 58% | 0.581 | 34% | 0.342 | S | S | * | . | G | 310 helix | trans | -69.2 | -11.6 | 174.1 | -66.2 | -178 | 177.9 | -106.9 | -0.3 | 113.6 | L48 G49 V50 T67 | R46-L48 VanDerWaalsContact C-N 3.25Å; R46-L48 PolarHBondContact O-N 2.81Å; R46-G49 PolarHBondContact O-N 3.04Å; R46-V50 HydrophobicContact CG-CB 4.41Å; R46-T67 HydrophobicContact CG-CG2 4.22Å |
| 47 | I | 95.6 | Very high | 95.9 | Very high | 139 Ų | 139 | 71.2 Ų | 71.2 | 71% | 0.713 | 36% | 0.364 | S | S | * | . | G | 310 helix | trans | -59 | -38.6 | 178.6 | -61.9 | 171.9 | 0 | 0 | 0 | 110.9 | A42 T45 G49 | A42-I47 HydrophobicContact CB-CG2 4.31Å; T45-I47 PolarHBondContact O-N 2.88Å; T45-I47 VanDerWaalsContact OG1-CB 3.31Å; T45-I47 WeakPolarHBondContact OG1-CB 3.41Å; T45-I47 WeakPolarHBondContact OG1-CG1 3.24Å; T45-I47 PolarHBondContact OG1-N 3Å; I47-G49 PolarHBondContact O-N 3.31Å |
| 48 | L | 95.6 | Very high | 95.8 | Very high | 62 Ų | 62 | 75 Ų | 75 | 33% | 0.325 | 39% | 0.389 | S | S | . | . | G | 310 helix | trans | -85.6 | 7.9 | 178.3 | -60.8 | -178.7 | 0 | 0 | 0 | 113.4 | A42 R46 N68 C70 | A42-L48 HydrophobicContact CB-CD1 4.16Å; A42-L48 HydrophobicContact CB-CD2 3.93Å; A42-L48 HydrophobicContact CB-CG 3.89Å; R46-L48 VanDerWaalsContact C-N 3.25Å; R46-L48 PolarHBondContact O-N 2.81Å; L48-N68 HydrophobicContact CB-CB 4.09Å; L48-N68 WeakPolarHBondContact O-CB 3.47Å; L48-N68 PolarHBondContact O-ND2 3.35Å; L48-C70 HydrophobicContact CD1-CB 3.61Å |
| 49 | G | 96.5 | Very high | 95.6 | Very high | 28 Ų | 28 | 80 Ų | 80 | 29% | 0.289 | 41% | 0.413 | S | S | . | . | trans | 89.1 | 162.8 | -172 | 0 | 0 | 0 | 0 | 0 | 113.5 | R46 I47 N68 | R46-G49 PolarHBondContact O-N 3.04Å; I47-G49 PolarHBondContact O-N 3.31Å; G49-N68 PolarHBondContact O-N 3.49Å | ||
| 50 | V | 97.5 | Very high | 95.5 | Very high | 51 Ų | 51 | 77.4 Ų | 77.4 | 31% | 0.309 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 138.4 | -176.7 | 65.6 | 0 | 0 | 0 | 0 | 108.7 | R46 Y65 V66 T67 | R46-V50 HydrophobicContact CG-CB 4.41Å; V50-Y65 HydrophobicContact CG2-CD1 4.02Å; V50-Y65 HydrophobicContact CG2-CG 4.33Å; V50-V66 WeakPolarHBondContact CA-O 3.36Å; V50-V66 WeakPolarHBondContact CG2-O 3.33Å; V50-T67 HydrophobicContact CB-CG2 4.47Å; V50-T67 HydrophobicContact CG2-CG2 4.16Å |
| 51 | K | 97.3 | Very high | 95.5 | Very high | 117 Ų | 117 | 82.4 Ų | 82.4 | 51% | 0.509 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 130.3 | 172 | -172.4 | 163.9 | 172.8 | 178.1 | 0 | 109.5 | Y53 Y65 V66 | K51-Y53 HydrophobicContact CB-CE2 3.88Å; K51-Y53 HydrophobicContact CD-CE1 4.38Å; K51-Y53 HydrophobicContact CD-CE2 3.91Å; K51-Y53 WeakPolarHBondContact CD-OH 3.46Å; K51-Y53 HydrophobicContact CG-CD2 4.22Å; K51-Y53 HydrophobicContact CG-CE2 3.63Å; K51-Y65 WeakPolarHBondContact O-CA 3.36Å; K51-V66 PolarHBondContact N-O 3.18Å; K51-V66 PolarHBondContact O-N 3.15Å |
| 52 | E | 97.4 | Very high | 95.5 | Very high | 89 Ų | 89 | 87.8 Ų | 87.8 | 42% | 0.416 | 46% | 0.463 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 134.7 | 173.9 | -169.1 | 179.2 | 108.7 | 0 | 0 | 109.6 | N54 V63 Y65 | E52-N54 PolarHBondContact OE1-ND2 3.12Å; E52-N54 PolarHBondContact OE1-OD1 3.35Å; E52-V63 HydrophobicContact CG-CG1 3.29Å; E52-Y65 HydrophobicContact CB-CD1 4.11Å; E52-Y65 HydrophobicContact CB-CE1 3.83Å; E52-Y65 HydrophobicContact CG-CD1 4.14Å; E52-Y65 HydrophobicContact CG-CE1 3.57Å; E52-Y65 WeakPolarHBondContact OE2-CE1 3.07Å; E52-Y65 VanDerWaalsContact OE2-CZ 3.23Å; E52-Y65 PolarHBondContact OE2-OH 3.09Å |
| 53 | Y | 97 | Very high | 95.5 | Very high | 110 Ų | 110 | 90.4 Ų | 90.4 | 43% | 0.431 | 48% | 0.478 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 121.7 | 175 | -68.3 | -92.5 | 0 | 0 | 0 | 108.4 | K51 V63 R64 V66 | K51-Y53 HydrophobicContact CB-CE2 3.88Å; K51-Y53 HydrophobicContact CD-CE1 4.38Å; K51-Y53 HydrophobicContact CD-CE2 3.91Å; K51-Y53 WeakPolarHBondContact CD-OH 3.46Å; K51-Y53 HydrophobicContact CG-CD2 4.22Å; K51-Y53 HydrophobicContact CG-CE2 3.63Å; Y53-V63 CarbonylContact O-C 3.56Å; Y53-V63 WeakPolarHBondContact O-CA 3.44Å; Y53-R64 PolarHBondContact N-O 3.03Å; Y53-R64 PolarHBondContact O-N 3.21Å; Y53-V66 HydrophobicContact CD2-CB 4.34Å; Y53-V66 HydrophobicContact CD2-CG2 3.8Å; Y53-V66 HydrophobicContact CE2-CB 3.93Å; Y53-V66 HydrophobicContact CE2-CG2 3.72Å |
| 54 | N | 96.6 | Very high | 95.6 | Very high | 90 Ų | 90 | 99.1 Ų | 99.1 | 48% | 0.481 | 51% | 0.511 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 149.2 | 177.3 | -67 | -64 | 0 | 0 | 0 | 109.3 | E52 V63 | E52-N54 PolarHBondContact OE1-ND2 3.12Å; E52-N54 PolarHBondContact OE1-OD1 3.35Å; N54-V63 VanDerWaalsContact OD1-CG2 3.26Å; N54-V63 WeakPolarHBondContact OD1-CG2 3.43Å |
| 55 | C | 95.4 | Very high | 95.7 | Very high | 61 Ų | 61 | 103.1 Ų | 103.1 | 41% | 0.412 | 52% | 0.519 | S | S | . | . | trans | -72 | 137.2 | 171.3 | -174.3 | 0 | 0 | 0 | 0 | 109.9 | K57 C60 H62 | C55-K57 PolarHBondContact O-N 2.91Å; C55-C60 HydrophobicContact CB-CB 4.05Å; C55-C60 VanDerWaalsContact CB-SG 3.53Å; C55-C60 VanDerWaalsContact SG-SG 3.63Å; C55-H62 HydrophobicContact CB-CB 4.16Å; C55-H62 PolarHBondContact N-O 3.15Å | ||
| 56 | D | 94.8 | Very high | 95.8 | Very high | 165 Ų | 165 | 104.3 Ų | 104.3 | 88% | 0.882 | 53% | 0.526 | S | S | * | . | S | Bend | trans | -71.7 | -10.2 | 179.3 | -60.1 | -36.8 | 0 | 0 | 0 | 113.4 | P58 | D56-P58 WeakPolarHBondContact O-CD 3.36Š|
| 57 | K | 95.3 | Very high | 95.8 | Very high | 151 Ų | 151 | 99.5 Ų | 99.5 | 66% | 0.657 | 51% | 0.514 | S | S | * | . | S | Bend | trans | -72.2 | 126.4 | 179.3 | -174.1 | -179.2 | 178.5 | -178.6 | 0 | 109.8 | C55 D59 C60 | C55-K57 PolarHBondContact O-N 2.91Å; K57-D59 PolarHBondContact O-N 3.07Å; K57-C60 HydrophobicContact CB-CB 3.84Å; K57-C60 HydrophobicContact CG-CB 4.34Å; K57-C60 WeakPolarHBondContact O-CB 3.16Å; K57-C60 PolarHBondContact O-N 2.96Å |
| 58 | P | 92 | Very high | 95.8 | Very high | 103 Ų | 103 | 96.4 Ų | 96.4 | 67% | 0.669 | 50% | 0.499 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.9 | 140.5 | 172.6 | -25.2 | 34.1 | 0 | 0 | 0 | 111.4 | D56 C60 | D56-P58 WeakPolarHBondContact O-CD 3.36Å; P58-C60 PolarHBondContact O-N 3.44Å; P58-C60 VanDerWaalsContact O-N 3.11Å |
| 59 | D | 91.8 | Very high | 95.8 | Very high | 168 Ų | 168 | 97.3 Ų | 97.3 | 90% | 0.898 | 51% | 0.51 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.9 | 13.1 | 179.6 | -48.6 | -48.8 | 0 | 0 | 0 | 115.6 | K57 P61 | K57-D59 PolarHBondContact O-N 3.07Å; D59-P61 VanDerWaalsContact O-CD 3.29Å; D59-P61 WeakPolarHBondContact O-CD 3.21Å |
| 60 | C | 95.4 | Very high | 95.8 | Very high | 31 Ų | 31 | 97.2 Ų | 97.2 | 21% | 0.209 | 51% | 0.505 | C | S | . | . | trans | -86.3 | 111.3 | 175.5 | -177 | 0 | 0 | 0 | 0 | 110.2 | C55 K57 P58 H62 | C55-C60 HydrophobicContact CB-CB 4.05Å; C55-C60 VanDerWaalsContact CB-SG 3.53Å; C55-C60 VanDerWaalsContact SG-SG 3.63Å; K57-C60 HydrophobicContact CB-CB 3.84Å; K57-C60 HydrophobicContact CG-CB 4.34Å; K57-C60 WeakPolarHBondContact O-CB 3.16Å; K57-C60 PolarHBondContact O-N 2.96Å; P58-C60 PolarHBondContact O-N 3.44Å; P58-C60 VanDerWaalsContact O-N 3.11Å; C60-H62 PolarHBondContact O-N 3.18Å; C60-H62 PolarHBondContact SG-ND1 3.5Å | ||
| 61 | P | 94.6 | Very high | 95.6 | Very high | 116 Ų | 116 | 97.6 Ų | 97.6 | 75% | 0.753 | 52% | 0.52 | S | S | * | . | trans | -76.9 | 8.2 | -176.9 | 34.4 | -38.3 | 0 | 0 | 0 | 113.3 | D59 V63 | D59-P61 VanDerWaalsContact O-CD 3.29Å; D59-P61 WeakPolarHBondContact O-CD 3.21Å; P61-V63 PolarHBondContact O-N 3.02Å | ||
| 62 | H | 96.9 | Very high | 95.4 | Very high | 138 Ų | 138 | 93.1 Ų | 93.1 | 64% | 0.639 | 50% | 0.503 | S | S | * | . | trans | -70.4 | 117.7 | -177.3 | -70.3 | 120.9 | 0 | 0 | 0 | 111 | C55 C60 | C55-H62 HydrophobicContact CB-CB 4.16Å; C55-H62 PolarHBondContact N-O 3.15Å; C60-H62 PolarHBondContact O-N 3.18Å; C60-H62 PolarHBondContact SG-ND1 3.5Å | ||
| 63 | V | 95.8 | Very high | 95.2 | Very high | 66 Ų | 66 | 100.2 Ų | 100.2 | 40% | 0.4 | 53% | 0.526 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 134.8 | 174.9 | -170.8 | 0 | 0 | 0 | 0 | 109.1 | E52 Y53 N54 P61 Y65 | E52-V63 HydrophobicContact CG-CG1 3.29Å; Y53-V63 CarbonylContact O-C 3.56Å; Y53-V63 WeakPolarHBondContact O-CA 3.44Å; N54-V63 VanDerWaalsContact OD1-CG2 3.26Å; N54-V63 WeakPolarHBondContact OD1-CG2 3.43Å; P61-V63 PolarHBondContact O-N 3.02Å; V63-Y65 HydrophobicContact CG1-CD2 4.5Å; V63-Y65 HydrophobicContact CG1-CE1 4.41Å; V63-Y65 HydrophobicContact CG1-CE2 3.83Å |
| 64 | R | 96.4 | Very high | 94.9 | Very high | 184 Ų | 184 | 97.6 Ų | 97.6 | 69% | 0.694 | 53% | 0.527 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 128.7 | 174.4 | -175.3 | 173.1 | -178.7 | 151.6 | -0.7 | 110.8 | Y53 V66 | Y53-R64 PolarHBondContact N-O 3.03Å; Y53-R64 PolarHBondContact O-N 3.21Å; R64-V66 HydrophobicContact CG-CG2 4.28Å |
| 65 | Y | 96.8 | Very high | 94.7 | Very high | 108 Ų | 108 | 93.4 Ų | 93.4 | 42% | 0.424 | 50% | 0.504 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 123 | 174.4 | -66.4 | -76.2 | 0 | 0 | 0 | 110.3 | V50 K51 E52 V63 | V50-Y65 HydrophobicContact CG2-CD1 4.02Å; V50-Y65 HydrophobicContact CG2-CG 4.33Å; K51-Y65 WeakPolarHBondContact O-CA 3.36Å; E52-Y65 HydrophobicContact CB-CD1 4.11Å; E52-Y65 HydrophobicContact CB-CE1 3.83Å; E52-Y65 HydrophobicContact CG-CD1 4.14Å; E52-Y65 HydrophobicContact CG-CE1 3.57Å; E52-Y65 WeakPolarHBondContact OE2-CE1 3.07Å; E52-Y65 VanDerWaalsContact OE2-CZ 3.23Å; E52-Y65 PolarHBondContact OE2-OH 3.09Å; V63-Y65 HydrophobicContact CG1-CD2 4.5Å; V63-Y65 HydrophobicContact CG1-CE1 4.41Å; V63-Y65 HydrophobicContact CG1-CE2 3.83Å |
| 66 | V | 96.3 | Very high | 94.4 | Very high | 59 Ų | 59 | 94.2 Ų | 94.2 | 36% | 0.358 | 51% | 0.509 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 119.5 | 176.2 | -177.1 | 0 | 0 | 0 | 0 | 108.7 | V50 K51 Y53 R64 | V50-V66 WeakPolarHBondContact CA-O 3.36Å; V50-V66 WeakPolarHBondContact CG2-O 3.33Å; K51-V66 PolarHBondContact N-O 3.18Å; K51-V66 PolarHBondContact O-N 3.15Å; Y53-V66 HydrophobicContact CD2-CB 4.34Å; Y53-V66 HydrophobicContact CD2-CG2 3.8Å; Y53-V66 HydrophobicContact CE2-CB 3.93Å; Y53-V66 HydrophobicContact CE2-CG2 3.72Å; R64-V66 HydrophobicContact CG-CG2 4.28Å |
| 67 | T | 96.6 | Very high | 94.1 | Very high | 53 Ų | 53 | 89.1 Ų | 89.1 | 33% | 0.325 | 49% | 0.487 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 146.3 | -179.7 | 46.8 | 0 | 0 | 0 | 0 | 111.6 | G44 R46 V50 | G44-T67 WeakPolarHBondContact CA-OG1 3.22Å; G44-T67 WeakPolarHBondContact O-CB 3.36Å; G44-T67 PolarHBondContact O-OG1 3.44Å; R46-T67 HydrophobicContact CG-CG2 4.22Å; V50-T67 HydrophobicContact CB-CG2 4.47Å; V50-T67 HydrophobicContact CG2-CG2 4.16Å |
| 68 | N | 95.6 | Very high | 93.9 | Very high | 74 Ų | 74 | 84.2 Ų | 84.2 | 40% | 0.396 | 47% | 0.47 | S | S | . | . | P | Polyproline II helix | trans | -72.1 | 151.4 | 179.1 | -67.5 | -21.6 | 0 | 0 | 0 | 111.8 | G44 L48 G49 | G44-N68 PolarHBondContact N-O 2.89Å; G44-N68 VanDerWaalsContact N-O 3.09Å; L48-N68 HydrophobicContact CB-CB 4.09Å; L48-N68 WeakPolarHBondContact O-CB 3.47Å; L48-N68 PolarHBondContact O-ND2 3.35Å; G49-N68 PolarHBondContact O-N 3.49Å |
| 69 | S | 95.5 | Very high | 93.3 | Very high | 81 Ų | 81 | 83.7 Ų | 83.7 | 57% | 0.566 | 48% | 0.484 | S | S | * | . | P | Polyproline II helix | trans | -90.8 | 155.7 | 173.1 | 89.5 | 0 | 0 | 0 | 0 | 110.5 | C78 | S69-C78 VanDerWaalsContact CB-SG 3.59Š|
| 70 | C | 96 | Very high | 93.4 | Very high | 26 Ų | 26 | 79.5 Ų | 79.5 | 18% | 0.176 | 46% | 0.463 | C | S | . | . | trans | -81.8 | -15 | -178 | 72.6 | 0 | 0 | 0 | 0 | 114.3 | K39 C43 L48 S72 C75 | K39-C70 HydrophobicContact CB-CB 4.14Å; K39-C70 VanDerWaalsContact O-CB 3.28Å; K39-C70 WeakPolarHBondContact O-CB 3.47Å; C43-C70 HydrophobicContact CB-CB 3.87Å; C43-C70 PolarHBondContact SG-N 2.89Å; L48-C70 HydrophobicContact CD1-CB 3.61Å; C70-S72 PolarHBondContact O-N 3.06Å; C70-S72 VanDerWaalsContact SG-CB 3.57Å; C70-S72 PolarHBondContact SG-N 2.96Å; C70-S72 VanDerWaalsContact SG-N 3.4Å; C70-C75 WeakPolarHBondContact SG-CB 3.47Å | ||
| 71 | G | 94.4 | Very high | 93.3 | Very high | 60 Ų | 60 | 82 Ų | 82 | 62% | 0.619 | 48% | 0.476 | S | S | * | . | trans | 64 | 5.4 | -176 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 72 | S | 93.7 | Very high | 93.2 | Very high | 22 Ų | 22 | 80.1 Ų | 80.1 | 15% | 0.154 | 46% | 0.461 | C | S | . | . | trans | -75.9 | 134.3 | -179.5 | -179.6 | 0 | 0 | 0 | 0 | 111.3 | C70 A74 C75 | C70-S72 PolarHBondContact O-N 3.06Å; C70-S72 VanDerWaalsContact SG-CB 3.57Å; C70-S72 PolarHBondContact SG-N 2.96Å; C70-S72 VanDerWaalsContact SG-N 3.4Å; S72-A74 PolarHBondContact O-N 3.3Å; S72-A74 PolarHBondContact OG-N 3.05Å; S72-C75 WeakPolarHBondContact O-CB 3.41Å; S72-C75 PolarHBondContact O-N 3.23Å | ||
| 73 | R | 92.1 | Very high | 93 | Very high | 239 Ų | 239 | 76.7 Ų | 76.7 | 90% | 0.902 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | -24.2 | 173.1 | -64.2 | -177.6 | -176.4 | 173.8 | 0.8 | 113.3 | C75 | R73-C75 VanDerWaalsContact C-N 3.3Š|
| 74 | A | 90.1 | Very high | 92.8 | Very high | 55 Ų | 55 | 77.4 Ų | 77.4 | 46% | 0.455 | 45% | 0.454 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | -8.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | A36 S72 P76 | A36-A74 HydrophobicContact CB-CB 3.8Å; S72-A74 PolarHBondContact O-N 3.3Å; S72-A74 PolarHBondContact OG-N 3.05Å; A74-P76 WeakPolarHBondContact O-CD 3.45Å |
| 75 | C | 93.4 | Very high | 92.6 | Very high | 1 Ų | 1 | 70.3 Ų | 70.3 | 1% | 0.007 | 44% | 0.438 | C | S | . | . | S | Bend | trans | -87.4 | 117.7 | 177.2 | -177.3 | 0 | 0 | 0 | 0 | 109.5 | M40 C70 S72 R73 S77 C78 G79 | M40-C75 HydrophobicContact CB-CB 4.22Å; M40-C75 HydrophobicContact CG-CB 4.32Å; C70-C75 WeakPolarHBondContact SG-CB 3.47Å; S72-C75 WeakPolarHBondContact O-CB 3.41Å; S72-C75 PolarHBondContact O-N 3.23Å; R73-C75 VanDerWaalsContact C-N 3.3Å; C75-S77 PolarHBondContact O-N 3.36Å; C75-C78 HydrophobicContact CB-CB 4.12Å; C75-C78 PolarHBondContact O-N 3.39Å; C75-G79 PolarHBondContact O-N 3.13Å; C75-G79 VanDerWaalsContact O-N 3.09Å |
| 76 | P | 89 | Confident | 92.3 | Very high | 79 Ų | 79 | 67.6 Ų | 67.6 | 51% | 0.513 | 44% | 0.439 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -0.7 | -179.8 | -20.3 | 31.3 | 0 | 0 | 0 | 115.2 | L10 A74 | L10-P76 HydrophobicContact CD1-CG 3.67Å; L10-P76 HydrophobicContact CG-CG 4.43Å; A74-P76 WeakPolarHBondContact O-CD 3.45Å |
| 77 | S | 87.8 | Confident | 92 | Very high | 58 Ų | 58 | 68.2 Ų | 68.2 | 41% | 0.406 | 45% | 0.445 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.9 | -2.4 | 176.9 | -53.5 | 0 | 0 | 0 | 0 | 112.9 | R8 C75 | R8-S77 VanDerWaalsContact CZ-OG 3.29Å; R8-S77 VanDerWaalsContact NH1-CB 3.27Å; R8-S77 PolarHBondContact NH1-OG 3.46Å; C75-S77 PolarHBondContact O-N 3.36Å |
| 78 | C | 91.8 | Very high | 91.6 | Very high | 47 Ų | 47 | 69.5 Ų | 69.5 | 32% | 0.318 | 46% | 0.455 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -127.9 | -43.2 | -175.3 | -63.7 | 0 | 0 | 0 | 0 | 113 | S69 C75 | S69-C78 VanDerWaalsContact CB-SG 3.59Å; C75-C78 HydrophobicContact CB-CB 4.12Å; C75-C78 PolarHBondContact O-N 3.39Å |
| 79 | G | 79.7 | Confident | 91.2 | Very high | 92 Ų | 92 | 69.1 Ų | 69.1 | 95% | 0.948 | 46% | 0.46 | S | S | * | . | trans | -92.7 | 0 | 169.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | C75 | C75-G79 PolarHBondContact O-N 3.13Å; C75-G79 VanDerWaalsContact O-N 3.09Å |
Retrieved 79 of 79 residues in 50.6 ms
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