| 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 | 48.6 | Very low | 62.7 | Low | 226 Ų | 226 | 106 Ų | 106 | 100% | 1.113 | 62% | 0.621 | S | S | * | * | 0 | -47.4 | 0 | -67.6 | 177.8 | 80.5 | 0 | 0 | 113.7 | Q3 G4 | M1-Q3 PolarHBondContact O-N 2.72Å; M1-G4 PolarHBondContact O-N 3.2Å | |||
| 2 | G | 52.7 | Low | 63.6 | Low | 60 Ų | 60 | 105 Ų | 105 | 62% | 0.619 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -52 | -48.3 | -170.2 | 0 | 0 | 0 | 0 | 0 | 117.7 | G4 A5 A6 | G2-G4 VanDerWaalsContact C-N 3.34Å; G2-G4 PolarHBondContact O-N 2.73Å; G2-A5 PolarHBondContact O-N 3.1Å; G2-A6 PolarHBondContact O-N 2.73Å; G2-A6 VanDerWaalsContact O-N 3.12Å |
| 3 | Q | 51.3 | Low | 64.2 | Low | 178 Ų | 178 | 105.5 Ų | 105.5 | 83% | 0.832 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -62.5 | -36.3 | -176.8 | -75.9 | 174.2 | -26.8 | 0 | 0 | 113.7 | M1 A5 A6 L7 | M1-Q3 PolarHBondContact O-N 2.72Å; Q3-A5 VanDerWaalsContact C-N 3.35Å; Q3-A5 PolarHBondContact O-N 3.16Å; Q3-A6 PolarHBondContact O-N 3.35Å; Q3-L7 PolarHBondContact O-N 2.93Å |
| 4 | G | 59.5 | Low | 64.5 | Low | 44 Ų | 44 | 106.4 Ų | 106.4 | 45% | 0.454 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -64.7 | -38.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | M1 G2 L7 L8 | M1-G4 PolarHBondContact O-N 3.2Å; G2-G4 VanDerWaalsContact C-N 3.34Å; G2-G4 PolarHBondContact O-N 2.73Å; G4-L7 PolarHBondContact O-N 3.26Å; G4-L8 WeakPolarHBondContact O-CB 3.44Å; G4-L8 PolarHBondContact O-N 3.16Å |
| 5 | A | 58.6 | Low | 64.2 | Low | 59 Ų | 59 | 107.1 Ų | 107.1 | 49% | 0.488 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -66.9 | -40.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | G2 Q3 L8 L9 | G2-A5 PolarHBondContact O-N 3.1Å; Q3-A5 VanDerWaalsContact C-N 3.35Å; Q3-A5 PolarHBondContact O-N 3.16Å; A5-L8 PolarHBondContact O-N 3.09Å; A5-L9 PolarHBondContact O-N 3.13Å |
| 6 | A | 63.8 | Low | 63.8 | Low | 64 Ų | 64 | 106.4 Ų | 106.4 | 53% | 0.529 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -64.6 | -41.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | G2 Q3 L9 S10 | G2-A6 PolarHBondContact O-N 2.73Å; G2-A6 VanDerWaalsContact O-N 3.12Å; Q3-A6 PolarHBondContact O-N 3.35Å; A6-L9 PolarHBondContact O-N 3.35Å; A6-S10 WeakPolarHBondContact O-CB 3.46Å; A6-S10 PolarHBondContact O-N 3.45Å |
| 7 | L | 68.4 | Low | 63.3 | Low | 109 Ų | 109 | 103.5 Ų | 103.5 | 57% | 0.571 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -67.9 | -37 | 176.5 | -158.5 | 77.7 | 0 | 0 | 0 | 111.9 | Q3 G4 K11 | Q3-L7 PolarHBondContact O-N 2.93Å; G4-L7 PolarHBondContact O-N 3.26Å; L7-K11 WeakPolarHBondContact O-CB 3.44Å; L7-K11 WeakPolarHBondContact O-CG 3.36Å; L7-K11 PolarHBondContact O-N 3.07Å |
| 8 | L | 70.8 | Confident | 62.6 | Low | 125 Ų | 125 | 100.1 Ų | 100.1 | 65% | 0.654 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -65.1 | -43.8 | 171.9 | -89.6 | 161.5 | 0 | 0 | 0 | 112.1 | G4 A5 S10 K11 L12 | G4-L8 WeakPolarHBondContact O-CB 3.44Å; G4-L8 PolarHBondContact O-N 3.16Å; A5-L8 PolarHBondContact O-N 3.09Å; L8-S10 PolarHBondContact O-N 3.05Å; L8-K11 PolarHBondContact O-N 3.27Å; L8-L12 VanDerWaalsContact O-CB 3.24Å; L8-L12 WeakPolarHBondContact O-CB 3.38Å; L8-L12 PolarHBondContact O-N 2.96Å |
| 9 | L | 72.1 | Confident | 61.7 | Low | 112 Ų | 112 | 97.8 Ų | 97.8 | 59% | 0.586 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -62 | -43.3 | 175 | -122.1 | 81.4 | 0 | 0 | 0 | 111.5 | A5 A6 L12 L13 | A5-L9 PolarHBondContact O-N 3.13Å; A6-L9 PolarHBondContact O-N 3.35Å; L9-L12 PolarHBondContact O-N 2.87Å; L9-L13 VanDerWaalsContact O-CD1 3.3Å; L9-L13 WeakPolarHBondContact O-CD1 3.38Å; L9-L13 PolarHBondContact O-N 2.77Å |
| 10 | S | 70.3 | Confident | 60.9 | Low | 63 Ų | 63 | 103.2 Ų | 103.2 | 44% | 0.441 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -61.8 | -48 | 176.6 | 179.7 | 0 | 0 | 0 | 0 | 111.8 | A6 L8 L12 L13 L14 | A6-S10 WeakPolarHBondContact O-CB 3.46Å; A6-S10 PolarHBondContact O-N 3.45Å; L8-S10 PolarHBondContact O-N 3.05Å; S10-L12 VanDerWaalsContact C-N 3.32Å; S10-L12 PolarHBondContact O-N 3.39Å; S10-L13 PolarHBondContact O-N 3.3Å; S10-L14 WeakPolarHBondContact O-CB 3.44Å; S10-L14 PolarHBondContact O-N 3.43Å |
| 11 | K | 73.6 | Confident | 60.1 | Low | 126 Ų | 126 | 103.8 Ų | 103.8 | 55% | 0.548 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -63.2 | -35.3 | 174.5 | -75.7 | -173.1 | 175.4 | -171.1 | 0 | 112.7 | L7 L8 L14 L15 | L7-K11 WeakPolarHBondContact O-CB 3.44Å; L7-K11 WeakPolarHBondContact O-CG 3.36Å; L7-K11 PolarHBondContact O-N 3.07Å; L8-K11 PolarHBondContact O-N 3.27Å; K11-L14 PolarHBondContact O-N 3.34Å; K11-L15 WeakPolarHBondContact O-CB 3.23Å; K11-L15 PolarHBondContact O-N 2.77Å |
| 12 | L | 73.7 | Confident | 59.8 | Low | 94 Ų | 94 | 100 Ų | 100 | 49% | 0.492 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -70.4 | -39.7 | 176 | -173.3 | 64.6 | 0 | 0 | 0 | 111.8 | L8 L9 S10 L15 L16 | L8-L12 VanDerWaalsContact O-CB 3.24Å; L8-L12 WeakPolarHBondContact O-CB 3.38Å; L8-L12 PolarHBondContact O-N 2.96Å; L9-L12 PolarHBondContact O-N 2.87Å; S10-L12 VanDerWaalsContact C-N 3.32Å; S10-L12 PolarHBondContact O-N 3.39Å; L12-L15 PolarHBondContact O-N 3.26Å; L12-L16 HydrophobicContact CG-CD1 4.07Å; L12-L16 WeakPolarHBondContact O-CB 3.5Å; L12-L16 VanDerWaalsContact O-CG 3.24Å; L12-L16 WeakPolarHBondContact O-CG 3.42Å; L12-L16 PolarHBondContact O-N 2.75Å |
| 13 | L | 71.5 | Confident | 59.4 | Low | 112 Ų | 112 | 103.4 Ų | 103.4 | 59% | 0.586 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -64.8 | -39.9 | 171.8 | -97.4 | 76.9 | 0 | 0 | 0 | 111.7 | L9 S10 L16 A17 | L9-L13 VanDerWaalsContact O-CD1 3.3Å; L9-L13 WeakPolarHBondContact O-CD1 3.38Å; L9-L13 PolarHBondContact O-N 2.77Å; S10-L13 PolarHBondContact O-N 3.3Å; L13-L16 PolarHBondContact O-N 3.09Å; L13-A17 WeakPolarHBondContact O-CB 3.45Å; L13-A17 PolarHBondContact O-N 2.98Å |
| 14 | L | 68.3 | Low | 59 | Low | 117 Ų | 117 | 98.8 Ų | 98.8 | 61% | 0.613 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -63.5 | -40.8 | 173 | -86.1 | 158 | 0 | 0 | 0 | 112 | S10 K11 A17 A18 | S10-L14 WeakPolarHBondContact O-CB 3.44Å; S10-L14 PolarHBondContact O-N 3.43Å; K11-L14 PolarHBondContact O-N 3.34Å; L14-A17 PolarHBondContact O-N 2.87Å; L14-A18 WeakPolarHBondContact O-CB 3.28Å; L14-A18 PolarHBondContact O-N 2.68Å |
| 15 | L | 59.9 | Low | 58.7 | Low | 118 Ų | 118 | 102.2 Ų | 102.2 | 62% | 0.618 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -67.3 | -34.8 | 173.3 | -88 | 157.7 | 0 | 0 | 0 | 112.8 | K11 L12 S19 | K11-L15 WeakPolarHBondContact O-CB 3.23Å; K11-L15 PolarHBondContact O-N 2.77Å; L12-L15 PolarHBondContact O-N 3.26Å; L15-S19 VanDerWaalsContact O-CB 3.24Å; L15-S19 WeakPolarHBondContact O-CB 3.38Å; L15-S19 PolarHBondContact O-N 2.95Å; L15-S19 PolarHBondContact O-OG 3.38Å |
| 16 | L | 57.4 | Low | 59.2 | Low | 96 Ų | 96 | 103.9 Ų | 103.9 | 50% | 0.503 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -76.5 | -29.6 | 176 | -73.4 | 166.9 | 0 | 0 | 0 | 112.9 | L12 L13 S19 R20 | L12-L16 HydrophobicContact CG-CD1 4.07Å; L12-L16 WeakPolarHBondContact O-CB 3.5Å; L12-L16 VanDerWaalsContact O-CG 3.24Å; L12-L16 WeakPolarHBondContact O-CG 3.42Å; L12-L16 PolarHBondContact O-N 2.75Å; L13-L16 PolarHBondContact O-N 3.09Å; L16-S19 WeakPolarHBondContact CA-OG 3.44Å; L16-S19 PolarHBondContact O-OG 3.24Å; L16-R20 WeakPolarHBondContact O-CG 2.81Å; L16-R20 PolarHBondContact O-N 3.25Å |
| 17 | A | 54.8 | Low | 60.1 | Low | 57 Ų | 57 | 104.1 Ų | 104.1 | 47% | 0.471 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -70.4 | -46.6 | 168.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | L13 L14 S19 R20 T21 | L13-A17 WeakPolarHBondContact O-CB 3.45Å; L13-A17 PolarHBondContact O-N 2.98Å; L14-A17 PolarHBondContact O-N 2.87Å; A17-S19 VanDerWaalsContact C-N 3.31Å; A17-S19 PolarHBondContact O-N 3.11Å; A17-R20 WeakPolarHBondContact O-CB 3.37Å; A17-R20 PolarHBondContact O-N 3.2Å; A17-R20 VanDerWaalsContact O-N 3.14Å; A17-T21 PolarHBondContact O-N 3.49Å |
| 18 | A | 50.9 | Low | 60.8 | Low | 41 Ų | 41 | 101.3 Ų | 101.3 | 34% | 0.339 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -63.3 | -34.2 | 175 | 0 | 0 | 0 | 0 | 0 | 112.5 | L14 R20 T21 L22 | L14-A18 WeakPolarHBondContact O-CB 3.28Å; L14-A18 PolarHBondContact O-N 2.68Å; A18-R20 VanDerWaalsContact C-N 3.34Å; A18-T21 WeakPolarHBondContact CA-OG1 3.38Å; A18-T21 CarbonylContact O-C 3.33Å; A18-T21 PolarHBondContact O-N 2.86Å; A18-T21 PolarHBondContact O-OG1 2.99Å; A18-L22 WeakPolarHBondContact O-CG 3.03Å; A18-L22 PolarHBondContact O-N 3.01Å |
| 19 | S | 45.3 | Very low | 61.6 | Low | 58 Ų | 58 | 101.5 Ų | 101.5 | 41% | 0.406 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -73.1 | -25.8 | 175.2 | 76.9 | 0 | 0 | 0 | 0 | 112.6 | L15 L16 A17 T21 L22 L23 | L15-S19 VanDerWaalsContact O-CB 3.24Å; L15-S19 WeakPolarHBondContact O-CB 3.38Å; L15-S19 PolarHBondContact O-N 2.95Å; L15-S19 PolarHBondContact O-OG 3.38Å; L16-S19 WeakPolarHBondContact CA-OG 3.44Å; L16-S19 PolarHBondContact O-OG 3.24Å; A17-S19 VanDerWaalsContact C-N 3.31Å; A17-S19 PolarHBondContact O-N 3.11Å; S19-T21 VanDerWaalsContact C-N 3.35Å; S19-L22 CarbonylContact O-C 3.55Å; S19-L22 PolarHBondContact O-N 3.1Å; S19-L23 PolarHBondContact O-N 2.69Å |
| 20 | R | 46.2 | Very low | 62.5 | Low | 205 Ų | 205 | 97.3 Ų | 97.3 | 77% | 0.774 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -69.2 | -32.4 | 168.1 | -79.4 | -176.3 | 173.2 | -141.9 | -2.5 | 112.2 | L16 A17 A18 L22 | L16-R20 WeakPolarHBondContact O-CG 2.81Å; L16-R20 PolarHBondContact O-N 3.25Å; A17-R20 WeakPolarHBondContact O-CB 3.37Å; A17-R20 PolarHBondContact O-N 3.2Å; A17-R20 VanDerWaalsContact O-N 3.14Å; A18-R20 VanDerWaalsContact C-N 3.34Å; R20-L22 VanDerWaalsContact C-N 3.27Å |
| 21 | T | 45.3 | Very low | 63.4 | Low | 116 Ų | 116 | 96.4 Ų | 96.4 | 71% | 0.712 | 53% | 0.53 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.8 | -2.4 | 168.4 | 49.7 | 0 | 0 | 0 | 0 | 114.2 | A17 A18 S19 | A17-T21 PolarHBondContact O-N 3.49Å; A18-T21 WeakPolarHBondContact CA-OG1 3.38Å; A18-T21 CarbonylContact O-C 3.33Å; A18-T21 PolarHBondContact O-N 2.86Å; A18-T21 PolarHBondContact O-OG1 2.99Å; S19-T21 VanDerWaalsContact C-N 3.35Å |
| 22 | L | 40.8 | Very low | 64.3 | Low | 146 Ų | 146 | 96 Ų | 96 | 76% | 0.764 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.8 | 20.6 | 171.5 | -72 | 165.1 | 0 | 0 | 0 | 112.1 | A18 S19 R20 A24 | A18-L22 WeakPolarHBondContact O-CG 3.03Å; A18-L22 PolarHBondContact O-N 3.01Å; S19-L22 CarbonylContact O-C 3.55Å; S19-L22 PolarHBondContact O-N 3.1Å; R20-L22 VanDerWaalsContact C-N 3.27Å; L22-A24 PolarHBondContact O-N 3.15Å; L22-A24 VanDerWaalsContact O-N 3.12Å |
| 23 | L | 44.8 | Very low | 65.3 | Low | 131 Ų | 131 | 93 Ų | 93 | 69% | 0.686 | 52% | 0.524 | S | S | * | . | S | Bend | trans | -63.4 | 108.7 | 150.4 | -74.4 | 172.4 | 0 | 0 | 0 | 106.5 | S19 V25 | S19-L23 PolarHBondContact O-N 2.69Å; L23-V25 PolarHBondContact O-N 3.41Å; L23-V25 VanDerWaalsContact O-N 3.13Å |
| 24 | A | 42.5 | Very low | 66.3 | Low | 81 Ų | 81 | 91.8 Ų | 91.8 | 67% | 0.669 | 52% | 0.518 | S | S | * | . | trans | -51.4 | 122.7 | 165.1 | 0 | 0 | 0 | 0 | 0 | 107.4 | L22 S26 | L22-A24 PolarHBondContact O-N 3.15Å; L22-A24 VanDerWaalsContact O-N 3.12Å; A24-S26 VanDerWaalsContact C-N 3.25Å; A24-S26 PolarHBondContact O-N 3.44Å | ||
| 25 | V | 52.8 | Low | 67.5 | Low | 117 Ų | 117 | 87.9 Ų | 87.9 | 71% | 0.709 | 50% | 0.497 | S | S | * | . | trans | -69.9 | 88.5 | -173.5 | -178.4 | 0 | 0 | 0 | 0 | 108.1 | L23 | L23-V25 PolarHBondContact O-N 3.41Å; L23-V25 VanDerWaalsContact O-N 3.13Å | ||
| 26 | S | 70.7 | Confident | 69.2 | Low | 93 Ų | 93 | 86.1 Ų | 86.1 | 65% | 0.65 | 49% | 0.491 | S | S | * | . | P | Polyproline II helix | trans | -57.5 | 136.9 | 174.5 | 53.2 | 0 | 0 | 0 | 0 | 108.9 | A24 | A24-S26 VanDerWaalsContact C-N 3.25Å; A24-S26 PolarHBondContact O-N 3.44Å |
| 27 | F | 81.4 | Confident | 71 | Confident | 69 Ų | 69 | 81.6 Ų | 81.6 | 30% | 0.303 | 47% | 0.468 | S | S | . | . | P | Polyproline II helix | trans | -51.2 | 130.3 | 176.8 | -169.3 | -80 | 0 | 0 | 0 | 110.1 | E29 V294 F300 F302 T423 | F27-E29 PolarHBondContact O-N 3.4Å; F27-V294 HydrophobicContact CE2-CB 4.04Å; F27-V294 HydrophobicContact CE2-CG1 4.28Å; F27-V294 HydrophobicContact CE2-CG2 3.94Å; F27-V294 HydrophobicContact CZ-CG2 3.92Å; F27-F300 HydrophobicContact CD2-CB 4.4Å; F27-F300 HydrophobicContact CD2-CG 4.34Å; F27-F300 HydrophobicContact CE2-CB 3.94Å; F27-F300 AromaticContact CE2-CD1 3.65Å; F27-F300 HydrophobicContact CE2-CD1 3.65Å; F27-F300 HydrophobicContact CE2-CD2 4.44Å; F27-F300 HydrophobicContact CE2-CE1 4.27Å; F27-F300 AromaticContact CE2-CG 3.75Å; F27-F300 HydrophobicContact CE2-CG 3.75Å; F27-F300 HydrophobicContact CZ-CD1 4.22Å; F27-F302 HydrophobicContact CZ-CE2 4.33Å; F27-F302 AromaticContact CZ-CZ 3.98Å; F27-F302 HydrophobicContact CZ-CZ 3.98Å; F27-T423 HydrophobicContact CE1-CG2 3.56Å; F27-T423 HydrophobicContact CZ-CG2 3.99Å |
| 28 | P | 83.9 | Confident | 72.8 | Confident | 51 Ų | 51 | 82.5 Ų | 82.5 | 33% | 0.331 | 47% | 0.465 | S | S | . | . | P | Polyproline II helix | trans | -49.2 | 135.2 | -173 | -31.1 | 35.6 | 0 | 0 | 0 | 113.6 | V294 | P28-V294 HydrophobicContact CG-CG1 4.12Š|
| 29 | E | 88.1 | Confident | 74.6 | Confident | 128 Ų | 128 | 81.9 Ų | 81.9 | 60% | 0.598 | 46% | 0.459 | S | S | * | . | P | Polyproline II helix | trans | -73.1 | 147.6 | 176.2 | -55.6 | -143.8 | 123.8 | 0 | 0 | 111.2 | F27 I31 R424 | F27-E29 PolarHBondContact O-N 3.4Å; E29-I31 PolarHBondContact O-N 3.1Å; E29-R424 VanDerWaalsContact CD-NH1 3.25Å; E29-R424 IonicContact OE1-CZ 2.71Å; E29-R424 IonicContact OE1-NH1 3.97Å; E29-R424 PolarHBondContact OE1-NH1 2.77Å; E29-R424 IonicContact OE1-NH2 3.86Å; E29-R424 PolarHBondContact OE1-NH2 3.23Å; E29-R424 IonicContact OE2-NH1 3.15Å |
| 30 | D | 89.5 | Confident | 76.7 | Confident | 24 Ų | 24 | 85.9 Ų | 85.9 | 13% | 0.128 | 47% | 0.471 | C | S | . | . | P | Polyproline II helix | trans | -63.5 | 116.7 | 177 | -82.4 | 37.2 | 0 | 0 | 0 | 110.6 | V32 K422 T423 R424 | D30-V32 PolarHBondContact O-N 2.84Å; D30-K422 HydrophobicContact CB-CD 4.43Å; D30-K422 WeakPolarHBondContact OD2-CA 3.12Å; D30-K422 WeakPolarHBondContact OD2-CD 3.39Å; D30-K422 WeakPolarHBondContact OD2-CG 3.5Å; D30-T423 WeakPolarHBondContact OD1-CA 3.43Å; D30-T423 PolarHBondContact OD1-N 3.15Å; D30-T423 PolarHBondContact OD1-OG1 2.84Å; D30-T423 PolarHBondContact OD2-N 2.95Å; D30-R424 HydrophobicContact CB-CB 4.27Å; D30-R424 HydrophobicContact CB-CG 4.38Å; D30-R424 VanDerWaalsContact CG-N 3.29Å; D30-R424 PolarHBondContact OD1-N 3.02Å; D30-R424 VanDerWaalsContact OD1-N 3.12Å; D30-R424 PolarHBondContact OD2-N 2.72Å |
| 31 | I | 89.3 | Confident | 78.8 | Confident | 45 Ų | 45 | 78.4 Ų | 78.4 | 23% | 0.231 | 44% | 0.444 | C | S | . | . | P | Polyproline II helix | trans | -60.3 | 132.8 | -179.3 | -53.2 | -179.8 | 0 | 0 | 0 | 110.6 | E29 F420 S471 L473 | E29-I31 PolarHBondContact O-N 3.1Å; I31-F420 HydrophobicContact CB-CE2 4.37Å; I31-F420 HydrophobicContact CD1-CD2 4.42Å; I31-F420 HydrophobicContact CD1-CE2 4.49Å; I31-S471 WeakPolarHBondContact CD1-O 3.41Å; I31-L473 HydrophobicContact CB-CB 4.46Å; I31-L473 HydrophobicContact CG2-CB 4.06Å; I31-L473 WeakPolarHBondContact O-CD2 3.49Å |
| 32 | V | 92.3 | Very high | 81 | Confident | 118 Ų | 118 | 73 Ų | 73 | 72% | 0.715 | 41% | 0.411 | S | S | * | . | P | Polyproline II helix | trans | -78.8 | 135 | 177.8 | -177.8 | 0 | 0 | 0 | 0 | 109.9 | D30 | D30-V32 PolarHBondContact O-N 2.84Š|
| 33 | P | 94.7 | Very high | 83.4 | Confident | 31 Ų | 31 | 72.4 Ų | 72.4 | 20% | 0.201 | 40% | 0.399 | C | S | . | . | P | Polyproline II helix | trans | -68.4 | 143.3 | 177.5 | 27.6 | -34.7 | 0 | 0 | 0 | 112.6 | V36 L473 E476 | P33-V36 HydrophobicContact CB-CG2 4.32Å; P33-V36 HydrophobicContact CG-CG2 3.68Å; P33-L473 WeakPolarHBondContact CA-O 3.13Å; P33-L473 HydrophobicContact CB-CD2 3.81Å; P33-L473 HydrophobicContact CB-CG 3.87Å; P33-L473 HydrophobicContact CG-CD2 4.32Å; P33-E476 HydrophobicContact CB-CB 3.91Å; P33-E476 HydrophobicContact CG-CB 3.99Å |
| 34 | L | 94 | Very high | 85.6 | Confident | 86 Ų | 86 | 72.5 Ų | 72.5 | 45% | 0.45 | 39% | 0.39 | S | S | . | . | S | Bend | trans | -71.1 | -34.6 | 173.5 | -59.1 | 179.9 | 0 | 0 | 0 | 112.6 | L473 L474 R537 | L34-L473 PolarHBondContact N-O 3.43Å; L34-L474 WeakPolarHBondContact CB-O 3.09Å; L34-L474 HydrophobicContact CD1-CD2 4Å; L34-L474 PolarHBondContact N-O 3.01Å; L34-R537 HydrophobicContact CD1-CB 4.11Å; L34-R537 HydrophobicContact CD1-CG 4.31Å |
| 35 | D | 93.8 | Very high | 88 | Confident | 35 Ų | 35 | 69.2 Ų | 69.2 | 19% | 0.187 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 149.7 | 171.8 | -173.1 | 20.7 | 0 | 0 | 0 | 111.5 | L474 E475 E476 R525 | D35-L474 PolarHBondContact N-O 3.1Å; D35-E475 HydrophobicContact CB-CG 4.45Å; D35-E475 VanDerWaalsContact O-CA 3.3Å; D35-E475 WeakPolarHBondContact O-CA 3.23Å; D35-E476 PolarHBondContact O-N 3.47Å; D35-E476 VanDerWaalsContact O-N 3.1Å; D35-R525 IonicContact OD1-CZ 2.69Å; D35-R525 VanDerWaalsContact OD1-CZ 3.23Å; D35-R525 IonicContact OD1-NH1 2.75Å; D35-R525 PolarHBondContact OD1-NH1 2.68Å; D35-R525 IonicContact OD1-NH2 2.68Å; D35-R525 PolarHBondContact OD1-NH2 3.17Å; D35-R525 IonicContact OD2-CZ 3.92Å; D35-R525 IonicContact OD2-NE 3.92Å; D35-R525 IonicContact OD2-NH1 2.87Å; D35-R525 PolarHBondContact OD2-NH1 2.86Å |
| 36 | V | 95.3 | Very high | 89.9 | Confident | 81 Ų | 81 | 64.4 Ų | 64.4 | 49% | 0.491 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 128.3 | 175.8 | -179.1 | 0 | 0 | 0 | 0 | 109.2 | P33 E476 R525 | P33-V36 HydrophobicContact CB-CG2 4.32Å; P33-V36 HydrophobicContact CG-CG2 3.68Å; V36-E476 WeakPolarHBondContact CA-O 3.21Å; V36-R525 PolarHBondContact O-NH1 2.85Å; V36-R525 PolarHBondContact O-NH2 2.92Å |
| 37 | V | 94.8 | Very high | 91 | Very high | 1 Ų | 1 | 60 Ų | 60 | 1% | 0.006 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 104.8 | -178.3 | -172.4 | 0 | 0 | 0 | 0 | 108.9 | F41 T42 E476 I477 D478 | V37-F41 HydrophobicContact CG1-CB 4.38Å; V37-F41 HydrophobicContact CG1-CD1 3.46Å; V37-F41 VanDerWaalsContact CG1-CD1 3.46Å; V37-F41 HydrophobicContact CG1-CE1 4.04Å; V37-F41 HydrophobicContact CG1-CG 4.25Å; V37-T42 HydrophobicContact CG1-CG2 3.77Å; V37-E476 PolarHBondContact N-O 3.08Å; V37-I477 HydrophobicContact CB-CB 4.2Å; V37-I477 HydrophobicContact CB-CG1 4.09Å; V37-I477 HydrophobicContact CB-CG2 3.93Å; V37-I477 HydrophobicContact CG1-CG2 4.11Å; V37-I477 HydrophobicContact CG2-CG1 3.97Å; V37-D478 PolarHBondContact O-N 3.35Å |
| 38 | D | 92.6 | Very high | 91.6 | Very high | 76 Ų | 76 | 56.9 Ų | 56.9 | 41% | 0.406 | 29% | 0.287 | S | S | . | . | trans | -76.3 | 162.2 | -172.9 | 66.3 | 69.4 | 0 | 0 | 0 | 114.8 | H40 F41 T42 | D38-H40 PolarHBondContact O-N 3.05Å; D38-H40 VanDerWaalsContact O-N 3.12Å; D38-H40 VanDerWaalsContact OD1-CA 3.24Å; D38-H40 WeakPolarHBondContact OD1-CA 3.25Å; D38-H40 WeakPolarHBondContact OD1-CB 3.42Å; D38-H40 PolarHBondContact OD1-N 3.47Å; D38-F41 PolarHBondContact O-N 3.07Å; D38-F41 PolarHBondContact OD1-N 3.37Å; D38-T42 WeakPolarHBondContact O-CG2 3.44Å; D38-T42 PolarHBondContact O-N 2.93Å; D38-T42 VanDerWaalsContact O-N 3.08Å | ||
| 39 | A | 88.8 | Confident | 91.8 | Very high | 27 Ų | 27 | 57.2 Ų | 57.2 | 22% | 0.223 | 28% | 0.282 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | -2.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | R43 D478 | A39-R43 WeakPolarHBondContact O-CD 3.43Å; A39-R43 VanDerWaalsContact O-CG 3.24Å; A39-R43 WeakPolarHBondContact O-CG 3.2Å; A39-R43 PolarHBondContact O-NE 2.7Å; A39-D478 HydrophobicContact CB-CB 4.11Å; A39-D478 WeakPolarHBondContact CB-OD2 3.38Å |
| 40 | H | 89.6 | Confident | 91.5 | Very high | 143 Ų | 143 | 51.4 Ų | 51.4 | 66% | 0.662 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.1 | -45.5 | 169.2 | 175.8 | -94.6 | 0 | 0 | 0 | 109.8 | D38 T42 R43 | D38-H40 PolarHBondContact O-N 3.05Å; D38-H40 VanDerWaalsContact O-N 3.12Å; D38-H40 VanDerWaalsContact OD1-CA 3.24Å; D38-H40 WeakPolarHBondContact OD1-CA 3.25Å; D38-H40 WeakPolarHBondContact OD1-CB 3.42Å; D38-H40 PolarHBondContact OD1-N 3.47Å; H40-T42 PolarHBondContact O-N 3.34Å; H40-R43 WeakPolarHBondContact O-CB 3.18Å; H40-R43 PolarHBondContact O-N 2.73Å |
| 41 | F | 90.3 | Very high | 90.7 | Very high | 47 Ų | 47 | 56 Ų | 56 | 21% | 0.206 | 27% | 0.272 | C | S | . | . | G | 310 helix | trans | -60.7 | -42.8 | 173.9 | -170.6 | -93.1 | 0 | 0 | 0 | 112.3 | V37 D38 R43 R44 Y45 R522 | V37-F41 HydrophobicContact CG1-CB 4.38Å; V37-F41 HydrophobicContact CG1-CD1 3.46Å; V37-F41 VanDerWaalsContact CG1-CD1 3.46Å; V37-F41 HydrophobicContact CG1-CE1 4.04Å; V37-F41 HydrophobicContact CG1-CG 4.25Å; D38-F41 PolarHBondContact O-N 3.07Å; D38-F41 PolarHBondContact OD1-N 3.37Å; F41-R43 VanDerWaalsContact C-N 3.27Å; F41-R43 PolarHBondContact O-N 3.4Å; F41-R44 VanDerWaalsContact CZ-CZ 3.42Å; F41-R44 VanDerWaalsContact O-CD 3.25Å; F41-R44 WeakPolarHBondContact O-CD 3.4Å; F41-R44 VanDerWaalsContact O-CG 3.22Å; F41-R44 WeakPolarHBondContact O-CG 3.11Å; F41-Y45 WeakPolarHBondContact CE1-OH 3.46Å; F41-R522 HydrophobicContact CE1-CG 4.32Å |
| 42 | T | 92.1 | Very high | 89.1 | Confident | 2 Ų | 2 | 55.5 Ų | 55.5 | 1% | 0.012 | 27% | 0.271 | C | S | . | . | G | 310 helix | trans | -70.8 | -17.1 | -178.6 | 64 | 0 | 0 | 0 | 0 | 114.3 | V37 D38 H40 R44 Y45 I477 D478 | V37-T42 HydrophobicContact CG1-CG2 3.77Å; D38-T42 WeakPolarHBondContact O-CG2 3.44Å; D38-T42 PolarHBondContact O-N 2.93Å; D38-T42 VanDerWaalsContact O-N 3.08Å; H40-T42 PolarHBondContact O-N 3.34Å; T42-R44 PolarHBondContact O-N 3.04Å; T42-R44 VanDerWaalsContact O-N 3.08Å; T42-Y45 HydrophobicContact CG2-CD2 4.23Å; T42-Y45 HydrophobicContact CG2-CE2 3.81Å; T42-Y45 WeakPolarHBondContact O-CB 3.48Å; T42-Y45 VanDerWaalsContact O-CD2 3.24Å; T42-Y45 WeakPolarHBondContact O-CD2 3.39Å; T42-Y45 PolarHBondContact O-N 3.48Å; T42-Y45 VanDerWaalsContact O-N 3.08Å; T42-I477 HydrophobicContact CG2-CG2 3.94Å; T42-D478 VanDerWaalsContact CB-O 3.32Å; T42-D478 WeakPolarHBondContact CB-O 3.46Å; T42-D478 WeakPolarHBondContact CG2-O 3.39Å; T42-D478 PolarHBondContact OG1-O 2.65Å |
| 43 | R | 90.2 | Very high | 87.1 | Confident | 134 Ų | 134 | 54.4 Ų | 54.4 | 51% | 0.506 | 27% | 0.269 | S | S | . | . | G | 310 helix | trans | -57.5 | -28.1 | 178.7 | -76.3 | 165.1 | -161.3 | -159.4 | 2.4 | 113.9 | A39 H40 F41 Y45 N481 K484 | A39-R43 WeakPolarHBondContact O-CD 3.43Å; A39-R43 VanDerWaalsContact O-CG 3.24Å; A39-R43 WeakPolarHBondContact O-CG 3.2Å; A39-R43 PolarHBondContact O-NE 2.7Å; H40-R43 WeakPolarHBondContact O-CB 3.18Å; H40-R43 PolarHBondContact O-N 2.73Å; F41-R43 VanDerWaalsContact C-N 3.27Å; F41-R43 PolarHBondContact O-N 3.4Å; R43-Y45 VanDerWaalsContact C-N 3.26Å; R43-Y45 PolarHBondContact O-N 3.11Å; R43-N481 WeakPolarHBondContact CA-ND2 3.29Å; R43-N481 PolarHBondContact O-ND2 3.38Å; R43-K484 VanDerWaalsContact O-CE 3.23Å; R43-K484 WeakPolarHBondContact O-CE 3.39Å; R43-K484 PolarHBondContact O-NZ 3.32Å |
| 44 | R | 90.3 | Very high | 85 | Confident | 133 Ų | 133 | 59.7 Ų | 59.7 | 50% | 0.502 | 30% | 0.3 | S | S | . | . | G | 310 helix | trans | -65.1 | -27.1 | -179.9 | 76.2 | -161.3 | -173.2 | 144.4 | 10.7 | 113 | F41 T42 | F41-R44 VanDerWaalsContact CZ-CZ 3.42Å; F41-R44 VanDerWaalsContact O-CD 3.25Å; F41-R44 WeakPolarHBondContact O-CD 3.4Å; F41-R44 VanDerWaalsContact O-CG 3.22Å; F41-R44 WeakPolarHBondContact O-CG 3.11Å; T42-R44 PolarHBondContact O-N 3.04Å; T42-R44 VanDerWaalsContact O-N 3.08Å |
| 45 | Y | 93.6 | Very high | 82.9 | Confident | 13 Ų | 13 | 62.8 Ų | 62.8 | 5% | 0.051 | 32% | 0.317 | C | S | . | . | S | Bend | trans | -65.2 | 149 | -171.3 | -65.2 | -45.9 | 0 | 0 | 0 | 114.1 | F41 T42 R43 K484 R517 I518 P519 R522 | F41-Y45 WeakPolarHBondContact CE1-OH 3.46Å; T42-Y45 HydrophobicContact CG2-CD2 4.23Å; T42-Y45 HydrophobicContact CG2-CE2 3.81Å; T42-Y45 WeakPolarHBondContact O-CB 3.48Å; T42-Y45 VanDerWaalsContact O-CD2 3.24Å; T42-Y45 WeakPolarHBondContact O-CD2 3.39Å; T42-Y45 PolarHBondContact O-N 3.48Å; T42-Y45 VanDerWaalsContact O-N 3.08Å; R43-Y45 VanDerWaalsContact C-N 3.26Å; R43-Y45 PolarHBondContact O-N 3.11Å; Y45-K484 PolarHBondContact O-NZ 2.9Å; Y45-R517 WeakPolarHBondContact CB-O 3.13Å; Y45-I518 HydrophobicContact CD2-CB 4.06Å; Y45-I518 HydrophobicContact CD2-CG2 3.4Å; Y45-I518 VanDerWaalsContact CD2-CG2 3.4Å; Y45-I518 HydrophobicContact CE2-CB 4.02Å; Y45-I518 HydrophobicContact CE2-CG2 3.77Å; Y45-I518 HydrophobicContact CG-CB 4.42Å; Y45-I518 HydrophobicContact CG-CG2 3.91Å; Y45-P519 VanDerWaalsContact CE1-CD 3.42Å; Y45-P519 HydrophobicContact CE1-CG 4.14Å; Y45-R522 WeakPolarHBondContact OH-CD 3.45Å |
| 46 | P | 93.8 | Very high | 81 | Confident | 15 Ų | 15 | 65.3 Ų | 65.3 | 10% | 0.097 | 33% | 0.331 | C | S | . | . | trans | -62.8 | 140.3 | 175.6 | -21.7 | 32.9 | 0 | 0 | 0 | 112.7 | Y90 I94 R517 | P46-Y90 WeakPolarHBondContact CG-O 3.47Å; P46-I94 HydrophobicContact CB-CD1 4.14Å; P46-I94 HydrophobicContact CB-CG1 3.63Å; P46-R517 PolarHBondContact O-N 3.5Å | ||
| 47 | V | 93.6 | Very high | 79.1 | Confident | 1 Ų | 1 | 65.4 Ų | 65.4 | 1% | 0.006 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 134 | 179.5 | -178.8 | 0 | 0 | 0 | 0 | 110.5 | R49 E93 I94 K484 C514 V515 I516 | V47-R49 HydrophobicContact CG1-CG 4.18Å; V47-E93 WeakPolarHBondContact O-CA 3.48Å; V47-I94 PolarHBondContact O-N 3.31Å; V47-K484 HydrophobicContact CB-CB 4.07Å; V47-K484 HydrophobicContact CB-CD 3.95Å; V47-K484 HydrophobicContact CG1-CB 4.15Å; V47-K484 HydrophobicContact CG2-CB 3.8Å; V47-K484 HydrophobicContact CG2-CD 3.42Å; V47-K484 VanDerWaalsContact CG2-CD 3.42Å; V47-K484 HydrophobicContact CG2-CG 4.26Å; V47-C514 HydrophobicContact CG1-CB 3.76Å; V47-V515 CarbonylContact C-O 3.54Å; V47-V515 WeakPolarHBondContact CA-O 3.27Å; V47-I516 HydrophobicContact CG1-CG1 4.23Å; V47-I516 HydrophobicContact CG2-CB 4.41Å; V47-I516 HydrophobicContact CG2-CD1 4.1Å; V47-I516 HydrophobicContact CG2-CG1 3.87Å; V47-I516 HydrophobicContact CG2-CG2 4.17Å |
| 48 | F | 93.1 | Very high | 77.3 | Confident | 4 Ų | 4 | 70.3 Ų | 70.3 | 2% | 0.018 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 136.6 | 167.6 | -176.5 | -106.7 | 0 | 0 | 0 | 110.1 | G50 L61 I75 Y82 V84 I94 C514 V515 | F48-G50 VanDerWaalsContact CZ-CA 3.5Å; F48-L61 HydrophobicContact CD1-CD2 4.18Å; F48-L61 HydrophobicContact CE1-CD1 4.03Å; F48-L61 HydrophobicContact CE1-CD2 4.31Å; F48-I75 HydrophobicContact CB-CD1 4.49Å; F48-I75 HydrophobicContact CD1-CD1 3.66Å; F48-I75 HydrophobicContact CD1-CG2 4.25Å; F48-I75 HydrophobicContact CE1-CB 4.37Å; F48-I75 HydrophobicContact CE1-CD1 3.99Å; F48-I75 HydrophobicContact CE1-CG2 4.03Å; F48-I75 HydrophobicContact CG-CD1 3.97Å; F48-Y82 HydrophobicContact CE1-CD2 4.04Å; F48-Y82 HydrophobicContact CE1-CG 4.1Å; F48-Y82 AromaticContact CZ-CD1 3.78Å; F48-Y82 HydrophobicContact CZ-CD1 3.78Å; F48-Y82 AromaticContact CZ-CD2 3.93Å; F48-Y82 HydrophobicContact CZ-CD2 3.93Å; F48-Y82 HydrophobicContact CZ-CE1 4.39Å; F48-Y82 AromaticContact CZ-CG 3.52Å; F48-Y82 HydrophobicContact CZ-CG 3.52Å; F48-V84 HydrophobicContact CD2-CG2 4.08Å; F48-V84 HydrophobicContact CE2-CG2 4.09Å; F48-I94 HydrophobicContact CB-CB 3.82Å; F48-I94 HydrophobicContact CB-CD1 4.2Å; F48-I94 HydrophobicContact CB-CG2 4.05Å; F48-I94 HydrophobicContact CD2-CB 4.24Å; F48-I94 HydrophobicContact CD2-CG2 4Å; F48-I94 WeakPolarHBondContact CD2-O 3.39Å; F48-I94 HydrophobicContact CG-CG2 4.44Å; F48-C514 VanDerWaalsContact O-CA 3.23Å; F48-C514 WeakPolarHBondContact O-CA 3.37Å; F48-C514 WeakPolarHBondContact O-CB 3.37Å; F48-V515 HydrophobicContact CB-CB 4.17Å; F48-V515 PolarHBondContact N-O 2.93Å; F48-V515 PolarHBondContact O-N 3.33Å |
| 49 | R | 88.8 | Confident | 76 | Confident | 57 Ų | 57 | 72.2 Ų | 72.2 | 22% | 0.215 | 36% | 0.364 | C | S | . | . | trans | -129.3 | 3.7 | 179.9 | -50.7 | -171.5 | -137.2 | -150.4 | 10.5 | 114.9 | V47 R51 E93 K484 | V47-R49 HydrophobicContact CG1-CG 4.18Å; R49-R51 HydrophobicContact CB-CG 4.24Å; R49-R51 PolarHBondContact O-N 3.26Å; R49-E93 IonicContact CZ-OE1 3.23Å; R49-E93 IonicContact NE-OE1 2.85Å; R49-E93 PolarHBondContact NE-OE1 2.86Å; R49-E93 IonicContact NH2-OE1 2.68Å; R49-E93 PolarHBondContact NH2-OE1 2.88Å; R49-K484 VanDerWaalsContact CD-O 3.26Å; R49-K484 WeakPolarHBondContact CD-O 3.3Å; R49-K484 PolarHBondContact NE-O 2.96Å; R49-K484 PolarHBondContact NH1-O 2.81Å | ||
| 50 | G | 81.2 | Confident | 75.6 | Confident | 6 Ų | 6 | 74.5 Ų | 74.5 | 6% | 0.062 | 37% | 0.367 | C | S | . | . | trans | 70.6 | 9.4 | -173.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | F48 P52 Y82 | F48-G50 VanDerWaalsContact CZ-CA 3.5Å; G50-P52 WeakPolarHBondContact O-CD 3.5Å; G50-Y82 WeakPolarHBondContact O-CE1 3.43Å; G50-Y82 PolarHBondContact O-OH 2.85Å | ||
| 51 | R | 72 | Confident | 75.5 | Confident | 122 Ų | 122 | 67.9 Ų | 67.9 | 46% | 0.46 | 34% | 0.336 | S | S | . | . | trans | -69.7 | 119.6 | -178.2 | -78.2 | -179.8 | 166.6 | -161.5 | -7.2 | 112.4 | R49 | R49-R51 HydrophobicContact CB-CG 4.24Å; R49-R51 PolarHBondContact O-N 3.26Å | ||
| 52 | P | 56.1 | Low | 75.7 | Confident | 33 Ų | 33 | 66.7 Ų | 66.7 | 21% | 0.214 | 33% | 0.332 | C | S | . | . | trans | -100 | 96.3 | 172.6 | 6.5 | 17.2 | 0 | 0 | 0 | 109.8 | G50 D56 K99 | G50-P52 WeakPolarHBondContact O-CD 3.5Å; P52-D56 HydrophobicContact CG-CB 4.42Å; P52-D56 WeakPolarHBondContact CG-OD2 3.22Å; P52-K99 HydrophobicContact CB-CD 4.2Å; P52-K99 VanDerWaalsContact CB-NZ 3.33Å; P52-K99 HydrophobicContact CG-CD 4.36Å; P52-K99 VanDerWaalsContact CG-NZ 3.35Å | ||
| 53 | S | 49.9 | Very low | 75.8 | Confident | 96 Ų | 96 | 66.9 Ų | 66.9 | 67% | 0.671 | 33% | 0.333 | S | S | * | . | S | Bend | trans | 66.6 | -178.6 | -173.7 | 87.8 | 0 | 0 | 0 | 0 | 115.1 | ||
| 54 | V | 51.3 | Low | 76.1 | Confident | 141 Ų | 141 | 62.6 Ų | 62.6 | 86% | 0.855 | 32% | 0.319 | S | S | * | . | S | Bend | trans | -81.4 | -19.8 | -172 | 179.7 | 0 | 0 | 0 | 0 | 113 | ||
| 55 | N | 49.2 | Very low | 76.4 | Confident | 151 Ų | 151 | 58.1 Ų | 58.1 | 81% | 0.807 | 30% | 0.304 | S | S | * | . | S | Bend | trans | -107.5 | -7.6 | -167.8 | -70.4 | 12.5 | 0 | 0 | 0 | 115.4 | ||
| 56 | D | 53.6 | Low | 76.5 | Confident | 89 Ų | 89 | 58.4 Ų | 58.4 | 48% | 0.476 | 31% | 0.306 | S | S | . | . | S | Bend | trans | -74.6 | 135.6 | 176.9 | -113.8 | -19.6 | 0 | 0 | 0 | 110.3 | P52 Q58 K99 | P52-D56 HydrophobicContact CG-CB 4.42Å; P52-D56 WeakPolarHBondContact CG-OD2 3.22Å; D56-Q58 PolarHBondContact O-N 2.82Å; D56-K99 IonicContact OD2-NZ 3.51Å |
| 57 | S | 56.2 | Low | 76.5 | Confident | 82 Ų | 82 | 59.9 Ų | 59.9 | 57% | 0.573 | 32% | 0.315 | S | S | * | . | trans | -61.1 | 132.5 | 178.3 | 49.3 | 0 | 0 | 0 | 0 | 111.1 | H59 | S57-H59 VanDerWaalsContact C-N 3.31Å; S57-H59 PolarHBondContact O-CD2 2.86Å; S57-H59 PolarHBondContact O-N 3.34Å; S57-H59 PolarHBondContact OG-NE2 3.36Å | ||
| 58 | Q | 57.8 | Low | 76.5 | Confident | 105 Ų | 105 | 62.7 Ų | 62.7 | 49% | 0.491 | 33% | 0.327 | S | S | . | . | trans | -70.7 | 81.9 | -171.1 | -171 | 177.7 | -59.8 | 0 | 0 | 112.9 | D56 | D56-Q58 PolarHBondContact O-N 2.82Š| ||
| 59 | H | 64.8 | Low | 76.4 | Confident | 116 Ų | 116 | 63.5 Ų | 63.5 | 54% | 0.537 | 33% | 0.331 | S | S | . | . | trans | -70.6 | 137.2 | 166.1 | -71 | -73.2 | 0 | 0 | 0 | 110.5 | S57 | S57-H59 VanDerWaalsContact C-N 3.31Å; S57-H59 PolarHBondContact O-CD2 2.86Å; S57-H59 PolarHBondContact O-N 3.34Å; S57-H59 PolarHBondContact OG-NE2 3.36Å | ||
| 60 | R | 80.1 | Confident | 76.4 | Confident | 75 Ų | 75 | 67.6 Ų | 67.6 | 28% | 0.283 | 35% | 0.353 | S | S | . | . | trans | -61.7 | 142.3 | 175.4 | -173.5 | 175.7 | 153.4 | 122.8 | 0.8 | 110.3 | D62 R78 D492 S512 | R60-D62 VanDerWaalsContact C-N 3.35Å; R60-D62 WeakPolarHBondContact CD-OD1 3.17Å; R60-D62 VanDerWaalsContact CG-OD1 3.25Å; R60-D62 WeakPolarHBondContact CG-OD1 3.33Å; R60-D62 IonicContact CZ-OD1 3.77Å; R60-D62 IonicContact NE-OD1 3.48Å; R60-D62 PolarHBondContact NE-OD1 2.99Å; R60-R78 PolarHBondContact O-NH2 2.72Å; R60-D492 IonicContact CZ-OD1 3.79Å; R60-D492 IonicContact NH1-OD1 2.61Å; R60-D492 PolarHBondContact NH1-OD1 3.24Å; R60-D492 IonicContact NH1-OD2 2.68Å; R60-D492 PolarHBondContact NH1-OD2 3.08Å; R60-D492 IonicContact NH2-OD1 3.55Å; R60-D492 PolarHBondContact NH2-OD1 2.85Å; R60-S512 PolarHBondContact NH2-OG 3.17Å | ||
| 61 | L | 88.6 | Confident | 76.8 | Confident | 3 Ų | 3 | 69.4 Ų | 69.4 | 2% | 0.016 | 36% | 0.361 | C | S | . | . | trans | -64.7 | -40.1 | -177.7 | 178.1 | 60.5 | 0 | 0 | 0 | 112.2 | F48 F63 G77 R78 Y82 V515 | F48-L61 HydrophobicContact CD1-CD2 4.18Å; F48-L61 HydrophobicContact CE1-CD1 4.03Å; F48-L61 HydrophobicContact CE1-CD2 4.31Å; L61-F63 VanDerWaalsContact C-N 3.31Å; L61-F63 HydrophobicContact CD2-CB 4.32Å; L61-F63 HydrophobicContact CG-CB 4.4Å; L61-F63 PolarHBondContact O-N 2.77Å; L61-G77 WeakPolarHBondContact O-CA 3.47Å; L61-R78 PolarHBondContact O-N 3.07Å; L61-Y82 HydrophobicContact CD1-CD2 4.11Å; L61-Y82 HydrophobicContact CD1-CE2 3.5Å; L61-V515 HydrophobicContact CD2-CG2 4.42Å | ||
| 62 | D | 92.5 | Very high | 77.9 | Confident | 22 Ų | 22 | 64.7 Ų | 64.7 | 12% | 0.118 | 35% | 0.346 | C | S | . | . | trans | 51.6 | 50.3 | -178.2 | -60 | -51.8 | 0 | 0 | 0 | 112 | R60 Q64 G77 R78 F125 S512 | R60-D62 VanDerWaalsContact C-N 3.35Å; R60-D62 WeakPolarHBondContact CD-OD1 3.17Å; R60-D62 VanDerWaalsContact CG-OD1 3.25Å; R60-D62 WeakPolarHBondContact CG-OD1 3.33Å; R60-D62 IonicContact CZ-OD1 3.77Å; R60-D62 IonicContact NE-OD1 3.48Å; R60-D62 PolarHBondContact NE-OD1 2.99Å; D62-Q64 PolarHBondContact O-N 2.04Å; D62-Q64 PolarHBondContact O-NE2 2.8Å; D62-G77 WeakPolarHBondContact O-CA 3.39Å; D62-R78 HydrophobicContact CB-CB 3.69Å; D62-R78 IonicContact OD2-CZ 2.9Å; D62-R78 IonicContact OD2-NE 2.83Å; D62-R78 PolarHBondContact OD2-NE 2.69Å; D62-R78 IonicContact OD2-NH2 3Å; D62-R78 PolarHBondContact OD2-NH2 3.2Å; D62-F125 HydrophobicContact CB-CD1 4.38Å; D62-F125 HydrophobicContact CB-CE1 3.94Å; D62-S512 VanDerWaalsContact CA-O 3.28Å; D62-S512 WeakPolarHBondContact CA-O 3.23Å; D62-S512 PolarHBondContact N-O 2.93Å | ||
| 63 | F | 95.6 | Very high | 79.7 | Confident | 6 Ų | 6 | 63.1 Ų | 63.1 | 3% | 0.026 | 34% | 0.336 | C | S | . | . | trans | -47.5 | 133.6 | -176.1 | 176.2 | -85.6 | 0 | 0 | 0 | 112.4 | L61 L65 M66 I75 L496 A510 F511 S512 V515 | L61-F63 VanDerWaalsContact C-N 3.31Å; L61-F63 HydrophobicContact CD2-CB 4.32Å; L61-F63 HydrophobicContact CG-CB 4.4Å; L61-F63 PolarHBondContact O-N 2.77Å; F63-L65 WeakPolarHBondContact CE2-O 3.2Å; F63-M66 HydrophobicContact CE2-CB 3.94Å; F63-M66 HydrophobicContact CE2-CG 4.16Å; F63-M66 HydrophobicContact CE2-SD 4.43Å; F63-M66 HydrophobicContact CZ-CB 4.1Å; F63-M66 HydrophobicContact CZ-CG 3.95Å; F63-M66 HydrophobicContact CZ-SD 4.46Å; F63-I75 HydrophobicContact CD2-CG2 4Å; F63-I75 HydrophobicContact CE2-CG2 4.16Å; F63-L496 HydrophobicContact CD1-CB 4.04Å; F63-L496 HydrophobicContact CD1-CD1 3.9Å; F63-L496 HydrophobicContact CE1-CB 4.13Å; F63-A510 HydrophobicContact CD1-CB 4.04Å; F63-A510 HydrophobicContact CD2-CB 3.95Å; F63-A510 HydrophobicContact CE1-CB 3.62Å; F63-A510 HydrophobicContact CE2-CB 3.5Å; F63-A510 HydrophobicContact CG-CB 4.2Å; F63-A510 HydrophobicContact CZ-CB 3.33Å; F63-F511 VanDerWaalsContact CB-O 3.25Å; F63-F511 WeakPolarHBondContact CB-O 3.44Å; F63-S512 PolarHBondContact N-O 2.96Å; F63-V515 HydrophobicContact CD2-CG2 3.97Å; F63-V515 HydrophobicContact CE2-CG2 4.1Å | ||
| 64 | Q | 96.4 | Very high | 82 | Confident | 45 Ų | 45 | 58.7 Ų | 58.7 | 21% | 0.21 | 31% | 0.305 | C | S | . | . | trans | -117.3 | -46.7 | 177.8 | -62.8 | -53.7 | -54.9 | 0 | 0 | 112.5 | D62 A76 F125 I126 K127 A174 | D62-Q64 PolarHBondContact O-N 2.04Å; D62-Q64 PolarHBondContact O-NE2 2.8Å; Q64-A76 PolarHBondContact N-O 3.14Å; Q64-F125 HydrophobicContact CG-CB 4.21Å; Q64-I126 WeakPolarHBondContact CB-O 3.27Å; Q64-I126 WeakPolarHBondContact CG-O 3.33Å; Q64-K127 HydrophobicContact CB-CD 4.22Å; Q64-K127 HydrophobicContact CG-CD 4Å; Q64-A174 PolarHBondContact OE1-O 3.4Å | ||
| 65 | L | 96.2 | Very high | 84.1 | Confident | 38 Ų | 38 | 52.1 Ų | 52.1 | 20% | 0.199 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.2 | 162 | 179.8 | 59.8 | 82.5 | 0 | 0 | 0 | 111.3 | F63 A76 K127 L129 | F63-L65 WeakPolarHBondContact CE2-O 3.2Å; L65-A76 HydrophobicContact CD1-CB 3.59Å; L65-A76 HydrophobicContact CG-CB 3.91Å; L65-A76 PolarHBondContact N-O 3.22Å; L65-A76 PolarHBondContact O-N 3.01Å; L65-K127 WeakPolarHBondContact CD2-O 3.46Å; L65-L129 HydrophobicContact CD1-CB 3.83Å; L65-L129 HydrophobicContact CD1-CD1 4.44Å |
| 66 | M | 95.9 | Very high | 86.4 | Confident | 19 Ų | 19 | 44.9 Ų | 44.9 | 9% | 0.094 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 151 | 161.3 | 60.7 | -175 | 164.5 | 0 | 0 | 110.2 | F63 L73 F74 I75 S497 H499 A510 V515 | F63-M66 HydrophobicContact CE2-CB 3.94Å; F63-M66 HydrophobicContact CE2-CG 4.16Å; F63-M66 HydrophobicContact CE2-SD 4.43Å; F63-M66 HydrophobicContact CZ-CB 4.1Å; F63-M66 HydrophobicContact CZ-CG 3.95Å; F63-M66 HydrophobicContact CZ-SD 4.46Å; M66-L73 HydrophobicContact CB-CD1 4.19Å; M66-L73 HydrophobicContact CG-CD1 4.46Å; M66-L73 HydrophobicContact SD-CD1 4.43Å; M66-L73 HydrophobicContact SD-CD2 4.47Å; M66-F74 CarbonylContact C-O 3.51Å; M66-F74 WeakPolarHBondContact CA-O 3.41Å; M66-F74 WeakPolarHBondContact CB-O 3.45Å; M66-I75 HydrophobicContact CB-CG1 4.49Å; M66-S497 WeakPolarHBondContact CE-OG 3.02Å; M66-H499 HydrophobicContact CE-CB 3.69Å; M66-H499 HydrophobicContact CG-CB 4.47Å; M66-H499 HydrophobicContact SD-CB 4.05Å; M66-A510 HydrophobicContact CE-CB 3.86Å; M66-A510 HydrophobicContact SD-CB 4.31Å; M66-V515 HydrophobicContact SD-CG1 4.32Å |
| 67 | T | 93.9 | Very high | 88.4 | Confident | 46 Ų | 46 | 40.7 Ų | 40.7 | 28% | 0.282 | 20% | 0.203 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 152.7 | 171.4 | -174 | 0 | 0 | 0 | 0 | 110.7 | I69 F74 L129 | T67-I69 HydrophobicContact CG2-CG1 4.48Å; T67-F74 HydrophobicContact CG2-CB 4.34Å; T67-F74 PolarHBondContact N-O 2.83Å; T67-F74 PolarHBondContact O-N 2.66Å; T67-L129 HydrophobicContact CG2-CD2 3.67Å |
| 68 | K | 93 | Very high | 90.2 | Very high | 60 Ų | 60 | 38 Ų | 38 | 26% | 0.261 | 18% | 0.181 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 124.3 | 178.5 | 172.5 | -179 | 175.8 | -176.4 | 0 | 109.1 | Q70 T72 L86 H499 D501 | K68-Q70 WeakPolarHBondContact CE-O 3.16Å; K68-Q70 WeakPolarHBondContact CG-O 3.21Å; K68-T72 WeakPolarHBondContact CA-O 3.26Å; K68-L86 HydrophobicContact CD-CD1 3.57Å; K68-L86 HydrophobicContact CG-CD1 3.82Å; K68-H499 WeakPolarHBondContact CB-NE2 3.17Å; K68-D501 IonicContact NZ-OD1 3.23Å; K68-D501 PolarHBondContact NZ-OD1 2.85Å |
| 69 | I | 91.8 | Very high | 91.9 | Very high | 21 Ų | 21 | 33.3 Ų | 33.3 | 11% | 0.108 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 118.6 | 171 | -54.6 | 177 | 0 | 0 | 0 | 106.4 | T67 D71 T72 F74 L129 P131 V137 L154 | T67-I69 HydrophobicContact CG2-CG1 4.48Å; I69-D71 PolarHBondContact O-N 2.96Å; I69-T72 PolarHBondContact N-O 2.62Å; I69-T72 PolarHBondContact O-N 2.99Å; I69-F74 HydrophobicContact CB-CD2 4.15Å; I69-F74 HydrophobicContact CB-CE2 3.8Å; I69-F74 HydrophobicContact CD1-CD2 4.13Å; I69-F74 HydrophobicContact CD1-CE2 4.03Å; I69-F74 HydrophobicContact CD1-CZ 4.34Å; I69-F74 HydrophobicContact CG1-CD2 4.14Å; I69-F74 HydrophobicContact CG1-CE2 4.16Å; I69-L129 HydrophobicContact CD1-CD2 4.13Å; I69-P131 HydrophobicContact CD1-CB 4.35Å; I69-V137 HydrophobicContact CD1-CG2 4.41Å; I69-L154 HydrophobicContact CD1-CD2 3.86Å; I69-L154 HydrophobicContact CG2-CD1 4.39Å; I69-L154 HydrophobicContact CG2-CD2 4.11Å |
| 70 | Q | 88.8 | Confident | 93.3 | Very high | 144 Ų | 144 | 28.8 Ų | 28.8 | 67% | 0.673 | 14% | 0.138 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.5 | -124.4 | -169.3 | -55.9 | 173.6 | 6.3 | 0 | 0 | 110.8 | K68 | K68-Q70 WeakPolarHBondContact CE-O 3.16Å; K68-Q70 WeakPolarHBondContact CG-O 3.21Å |
| 71 | D | 90.1 | Very high | 94.1 | Very high | 43 Ų | 43 | 25.3 Ų | 25.3 | 23% | 0.23 | 13% | 0.125 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.3 | 17.6 | 175.9 | -71.8 | -45.7 | 0 | 0 | 0 | 113.8 | I69 L86 R87 | I69-D71 PolarHBondContact O-N 2.96Å; D71-L86 VanDerWaalsContact O-CB 3.3Å; D71-L86 WeakPolarHBondContact O-CB 3.28Å; D71-L86 WeakPolarHBondContact O-CG 3.41Å; D71-L86 PolarHBondContact O-N 3.3Å; D71-R87 HydrophobicContact CB-CG 4.19Å; D71-R87 IonicContact OD2-CZ 3.33Å; D71-R87 IonicContact OD2-NE 2.77Å; D71-R87 PolarHBondContact OD2-NE 2.89Å; D71-R87 IonicContact OD2-NH2 3.1Å; D71-R87 PolarHBondContact OD2-NH2 2.83Å |
| 72 | T | 93.4 | Very high | 94.3 | Very high | 23 Ų | 23 | 25.6 Ų | 25.6 | 14% | 0.141 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 128.7 | 179.6 | -57.8 | 0 | 0 | 0 | 0 | 110.9 | K68 I69 F74 L83 Y97 | K68-T72 WeakPolarHBondContact CA-O 3.26Å; I69-T72 PolarHBondContact N-O 2.62Å; I69-T72 PolarHBondContact O-N 2.99Å; T72-F74 HydrophobicContact CG2-CD2 3.86Å; T72-F74 HydrophobicContact CG2-CE2 3.59Å; T72-F74 HydrophobicContact CG2-CZ 4.33Å; T72-L83 HydrophobicContact CG2-CB 3.76Å; T72-L83 HydrophobicContact CG2-CD2 4.12Å; T72-L83 HydrophobicContact CG2-CG 3.72Å; T72-Y97 HydrophobicContact CG2-CE1 4.09Å; T72-Y97 WeakPolarHBondContact CG2-OH 3.38Å; T72-Y97 PolarHBondContact OG1-OH 3Å; T72-Y97 VanDerWaalsContact OG1-OH 3.12Å |
| 73 | L | 95.5 | Very high | 94.4 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 115.2 | 168.8 | -173.9 | 67.6 | 0 | 0 | 0 | 109.3 | M66 I75 V84 L86 Y508 | M66-L73 HydrophobicContact CB-CD1 4.19Å; M66-L73 HydrophobicContact CG-CD1 4.46Å; M66-L73 HydrophobicContact SD-CD1 4.43Å; M66-L73 HydrophobicContact SD-CD2 4.47Å; L73-I75 HydrophobicContact CD2-CD1 4.19Å; L73-I75 HydrophobicContact CD2-CG1 4.18Å; L73-I75 HydrophobicContact CG-CG1 4.1Å; L73-V84 HydrophobicContact CB-CB 4.41Å; L73-V84 PolarHBondContact N-O 3.24Å; L73-V84 PolarHBondContact O-N 2.96Å; L73-L86 HydrophobicContact CB-CD2 3.91Å; L73-L86 HydrophobicContact CB-CG 4.35Å; L73-Y508 HydrophobicContact CD2-CD1 3.47Å; L73-Y508 VanDerWaalsContact CD2-CD1 3.47Å; L73-Y508 HydrophobicContact CD2-CD2 4.38Å; L73-Y508 HydrophobicContact CD2-CE1 3.79Å; L73-Y508 HydrophobicContact CD2-CG 3.8Å |
| 74 | F | 96.6 | Very high | 94.4 | Very high | 4 Ų | 4 | 24.3 Ų | 24.3 | 2% | 0.018 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 121.4 | 172.2 | -72.1 | -112.5 | 0 | 0 | 0 | 108.1 | M66 T67 I69 T72 V81 Y82 L83 L129 L154 L157 | M66-F74 CarbonylContact C-O 3.51Å; M66-F74 WeakPolarHBondContact CA-O 3.41Å; M66-F74 WeakPolarHBondContact CB-O 3.45Å; T67-F74 HydrophobicContact CG2-CB 4.34Å; T67-F74 PolarHBondContact N-O 2.83Å; T67-F74 PolarHBondContact O-N 2.66Å; I69-F74 HydrophobicContact CB-CD2 4.15Å; I69-F74 HydrophobicContact CB-CE2 3.8Å; I69-F74 HydrophobicContact CD1-CD2 4.13Å; I69-F74 HydrophobicContact CD1-CE2 4.03Å; I69-F74 HydrophobicContact CD1-CZ 4.34Å; I69-F74 HydrophobicContact CG1-CD2 4.14Å; I69-F74 HydrophobicContact CG1-CE2 4.16Å; T72-F74 HydrophobicContact CG2-CD2 3.86Å; T72-F74 HydrophobicContact CG2-CE2 3.59Å; T72-F74 HydrophobicContact CG2-CZ 4.33Å; F74-V81 HydrophobicContact CD1-CG1 4.23Å; F74-Y82 WeakPolarHBondContact CA-O 3.19Å; F74-L83 HydrophobicContact CD1-CD1 3.5Å; F74-L83 VanDerWaalsContact CD1-CD1 3.5Å; F74-L83 HydrophobicContact CD1-CG 3.92Å; F74-L83 HydrophobicContact CD2-CG 4.46Å; F74-L83 HydrophobicContact CE1-CD1 3.55Å; F74-L83 HydrophobicContact CE1-CD2 3.85Å; F74-L83 HydrophobicContact CE1-CG 3.72Å; F74-L83 HydrophobicContact CE2-CD2 4.43Å; F74-L83 HydrophobicContact CE2-CG 4.24Å; F74-L83 HydrophobicContact CG-CD1 4.19Å; F74-L83 HydrophobicContact CG-CG 4.29Å; F74-L83 HydrophobicContact CZ-CD1 4.24Å; F74-L83 HydrophobicContact CZ-CD2 3.76Å; F74-L83 HydrophobicContact CZ-CG 3.87Å; F74-L129 HydrophobicContact CB-CD1 3.98Å; F74-L129 HydrophobicContact CB-CD2 4.28Å; F74-L129 HydrophobicContact CD1-CD1 4.05Å; F74-L129 HydrophobicContact CD1-CD2 4.21Å; F74-L129 HydrophobicContact CG-CD1 4.43Å; F74-L129 HydrophobicContact CG-CD2 4.34Å; F74-L154 HydrophobicContact CE1-CD2 4.22Å; F74-L154 HydrophobicContact CE2-CD2 4.37Å; F74-L154 HydrophobicContact CZ-CD2 3.64Å; F74-L157 HydrophobicContact CE1-CD2 4.09Å |
| 75 | I | 97 | Very high | 94.1 | Very high | 2 Ų | 2 | 23.1 Ų | 23.1 | 1% | 0.01 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 119.2 | 177.8 | -57.3 | 175.1 | 0 | 0 | 0 | 107.7 | F48 F63 M66 L73 V81 Y82 V84 V515 | F48-I75 HydrophobicContact CB-CD1 4.49Å; F48-I75 HydrophobicContact CD1-CD1 3.66Å; F48-I75 HydrophobicContact CD1-CG2 4.25Å; F48-I75 HydrophobicContact CE1-CB 4.37Å; F48-I75 HydrophobicContact CE1-CD1 3.99Å; F48-I75 HydrophobicContact CE1-CG2 4.03Å; F48-I75 HydrophobicContact CG-CD1 3.97Å; F63-I75 HydrophobicContact CD2-CG2 4Å; F63-I75 HydrophobicContact CE2-CG2 4.16Å; M66-I75 HydrophobicContact CB-CG1 4.49Å; L73-I75 HydrophobicContact CD2-CD1 4.19Å; L73-I75 HydrophobicContact CD2-CG1 4.18Å; L73-I75 HydrophobicContact CG-CG1 4.1Å; I75-V81 WeakPolarHBondContact O-CA 3.23Å; I75-Y82 PolarHBondContact N-O 2.98Å; I75-Y82 PolarHBondContact O-N 3.5Å; I75-V84 HydrophobicContact CD1-CG2 3.92Å; I75-V515 HydrophobicContact CD1-CB 4.42Å; I75-V515 HydrophobicContact CD1-CG2 4.21Å; I75-V515 HydrophobicContact CG2-CG2 4.09Å |
| 76 | A | 96.7 | Very high | 93.9 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 139.6 | -175.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q64 L65 V81 I126 L129 | Q64-A76 PolarHBondContact N-O 3.14Å; L65-A76 HydrophobicContact CD1-CB 3.59Å; L65-A76 HydrophobicContact CG-CB 3.91Å; L65-A76 PolarHBondContact N-O 3.22Å; L65-A76 PolarHBondContact O-N 3.01Å; A76-V81 HydrophobicContact CB-CG2 4.17Å; A76-I126 HydrophobicContact CB-CB 4.08Å; A76-I126 HydrophobicContact CB-CG2 3.9Å; A76-L129 HydrophobicContact CB-CD1 4.41Å |
| 77 | G | 95.2 | Very high | 93.4 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 14% | 0.137 | C | C | . | . | trans | -150.1 | -144.4 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | L61 D62 Q80 I126 | L61-G77 WeakPolarHBondContact O-CA 3.47Å; D62-G77 WeakPolarHBondContact O-CA 3.39Å; G77-Q80 PolarHBondContact N-O 3.27Å; G77-Q80 VanDerWaalsContact N-O 3.14Å; G77-I126 PolarHBondContact O-N 2.86Å | ||
| 78 | R | 94.2 | Very high | 92.9 | Very high | 26 Ų | 26 | 31.3 Ų | 31.3 | 10% | 0.098 | 14% | 0.142 | C | C | . | . | B | Isolated β-bridge | trans | -84 | 129.1 | 176.2 | -174.5 | -176.8 | 47.1 | 59.5 | 11.5 | 112 | R60 L61 D62 Q80 H123 F125 | R60-R78 PolarHBondContact O-NH2 2.72Å; L61-R78 PolarHBondContact O-N 3.07Å; D62-R78 HydrophobicContact CB-CB 3.69Å; D62-R78 IonicContact OD2-CZ 2.9Å; D62-R78 IonicContact OD2-NE 2.83Å; D62-R78 PolarHBondContact OD2-NE 2.69Å; D62-R78 IonicContact OD2-NH2 3Å; D62-R78 PolarHBondContact OD2-NH2 3.2Å; R78-Q80 PolarHBondContact O-N 3.4Å; R78-H123 HydrophobicContact CG-CB 3.58Å; R78-F125 HydrophobicContact CB-CD1 3.72Å; R78-F125 HydrophobicContact CB-CE1 3.71Å; R78-F125 HydrophobicContact CB-CG 4.45Å; R78-F125 HydrophobicContact CB-CZ 4.41Å; R78-F125 HydrophobicContact CG-CD1 3.98Å; R78-F125 HydrophobicContact CG-CE1 3.74Å; R78-F125 HydrophobicContact CG-CE2 4.33Å; R78-F125 HydrophobicContact CG-CG 4.39Å; R78-F125 HydrophobicContact CG-CZ 3.93Å |
| 79 | D | 94.4 | Very high | 92.2 | Very high | 6 Ų | 6 | 33.9 Ų | 33.9 | 3% | 0.032 | 17% | 0.167 | C | C | . | . | S | Bend | trans | 55.8 | 0.7 | -178.3 | -52.7 | -65.7 | 0 | 0 | 0 | 116 | T101 W102 R103 R109 H123 N124 | D79-T101 WeakPolarHBondContact O-CA 3.44Å; D79-W102 CarbonylContact O-C 3.56Å; D79-W102 PolarHBondContact O-N 2.77Å; D79-R103 HydrophobicContact CB-CB 4.5Å; D79-R103 HydrophobicContact CB-CG 3.73Å; D79-R109 IonicContact OD1-NH2 2.91Å; D79-R109 PolarHBondContact OD1-NH2 3.36Å; D79-R109 IonicContact OD2-NH2 2.65Å; D79-H123 IonicContact OD1-ND1 2.76Å; D79-H123 PolarHBondContact OD1-ND1 3.16Å; D79-H123 IonicContact OD2-CE1 3.71Å; D79-H123 IonicContact OD2-CG 3.64Å; D79-H123 IonicContact OD2-ND1 3.16Å; D79-H123 PolarHBondContact OD2-ND1 3.47Å; D79-N124 WeakPolarHBondContact CA-O 3.11Å; D79-N124 PolarHBondContact N-O 2.85Å; D79-N124 PolarHBondContact OD1-N 2.79Å |
| 80 | Q | 93.9 | Very high | 91.6 | Very high | 22 Ų | 22 | 34.2 Ų | 34.2 | 10% | 0.103 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 152.5 | -169.3 | -69.5 | -176.7 | 88 | 0 | 0 | 114.1 | G77 R78 Y82 L100 T101 | G77-Q80 PolarHBondContact N-O 3.27Å; G77-Q80 VanDerWaalsContact N-O 3.14Å; R78-Q80 PolarHBondContact O-N 3.4Å; Q80-Y82 HydrophobicContact CB-CE1 4.4Å; Q80-Y82 HydrophobicContact CB-CE2 3.79Å; Q80-Y82 PolarHBondContact NE2-OH 2.82Å; Q80-L100 VanDerWaalsContact CA-O 3.29Å; Q80-L100 WeakPolarHBondContact CA-O 3.44Å; Q80-T101 HydrophobicContact CG-CG2 4.24Å |
| 81 | V | 95.7 | Very high | 91 | Very high | 2 Ų | 2 | 38 Ų | 38 | 1% | 0.012 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 134.4 | 165.8 | -176.7 | 0 | 0 | 0 | 0 | 108.3 | F74 I75 A76 L83 K99 L100 I126 L129 | F74-V81 HydrophobicContact CD1-CG1 4.23Å; I75-V81 WeakPolarHBondContact O-CA 3.23Å; A76-V81 HydrophobicContact CB-CG2 4.17Å; V81-L83 HydrophobicContact CG1-CD1 4.31Å; V81-K99 CarbonylContact O-C 3.6Å; V81-K99 WeakPolarHBondContact O-CA 3.25Å; V81-L100 HydrophobicContact CB-CB 4.29Å; V81-L100 HydrophobicContact CG2-CD2 4.42Å; V81-L100 PolarHBondContact N-O 2.84Å; V81-L100 PolarHBondContact O-N 3.34Å; V81-I126 HydrophobicContact CG2-CB 4.29Å; V81-I126 HydrophobicContact CG2-CG1 3.95Å; V81-I126 HydrophobicContact CG2-CG2 3.91Å; V81-L129 HydrophobicContact CG1-CD1 3.62Å; V81-L129 HydrophobicContact CG2-CD1 4.34Å |
| 82 | Y | 94.6 | Very high | 90.5 | Very high | 9 Ų | 9 | 41.6 Ų | 41.6 | 4% | 0.035 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 139.4 | -175.9 | -51.1 | -96.9 | 0 | 0 | 0 | 110.3 | F48 G50 L61 F74 I75 Q80 K99 | F48-Y82 HydrophobicContact CE1-CD2 4.04Å; F48-Y82 HydrophobicContact CE1-CG 4.1Å; F48-Y82 AromaticContact CZ-CD1 3.78Å; F48-Y82 HydrophobicContact CZ-CD1 3.78Å; F48-Y82 AromaticContact CZ-CD2 3.93Å; F48-Y82 HydrophobicContact CZ-CD2 3.93Å; F48-Y82 HydrophobicContact CZ-CE1 4.39Å; F48-Y82 AromaticContact CZ-CG 3.52Å; F48-Y82 HydrophobicContact CZ-CG 3.52Å; G50-Y82 WeakPolarHBondContact O-CE1 3.43Å; G50-Y82 PolarHBondContact O-OH 2.85Å; L61-Y82 HydrophobicContact CD1-CD2 4.11Å; L61-Y82 HydrophobicContact CD1-CE2 3.5Å; F74-Y82 WeakPolarHBondContact CA-O 3.19Å; I75-Y82 PolarHBondContact N-O 2.98Å; I75-Y82 PolarHBondContact O-N 3.5Å; Q80-Y82 HydrophobicContact CB-CE1 4.4Å; Q80-Y82 HydrophobicContact CB-CE2 3.79Å; Q80-Y82 PolarHBondContact NE2-OH 2.82Å; Y82-K99 HydrophobicContact CD1-CB 4.08Å |
| 83 | L | 94.5 | Very high | 90.3 | Very high | 1 Ų | 1 | 43.7 Ų | 43.7 | 1% | 0.005 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 122 | 177.4 | -81.6 | 57.6 | 0 | 0 | 0 | 109.3 | T72 F74 V81 S96 Y97 R98 L157 | T72-L83 HydrophobicContact CG2-CB 3.76Å; T72-L83 HydrophobicContact CG2-CD2 4.12Å; T72-L83 HydrophobicContact CG2-CG 3.72Å; F74-L83 HydrophobicContact CD1-CD1 3.5Å; F74-L83 VanDerWaalsContact CD1-CD1 3.5Å; F74-L83 HydrophobicContact CD1-CG 3.92Å; F74-L83 HydrophobicContact CD2-CG 4.46Å; F74-L83 HydrophobicContact CE1-CD1 3.55Å; F74-L83 HydrophobicContact CE1-CD2 3.85Å; F74-L83 HydrophobicContact CE1-CG 3.72Å; F74-L83 HydrophobicContact CE2-CD2 4.43Å; F74-L83 HydrophobicContact CE2-CG 4.24Å; F74-L83 HydrophobicContact CG-CD1 4.19Å; F74-L83 HydrophobicContact CG-CG 4.29Å; F74-L83 HydrophobicContact CZ-CD1 4.24Å; F74-L83 HydrophobicContact CZ-CD2 3.76Å; F74-L83 HydrophobicContact CZ-CG 3.87Å; V81-L83 HydrophobicContact CG1-CD1 4.31Å; L83-S96 CarbonylContact O-C 3.51Å; L83-S96 WeakPolarHBondContact O-CA 3.28Å; L83-S96 VanDerWaalsContact O-CB 3.31Å; L83-S96 WeakPolarHBondContact O-CB 3.47Å; L83-Y97 HydrophobicContact CB-CE1 3.88Å; L83-Y97 HydrophobicContact CB-CE2 4.41Å; L83-Y97 WeakPolarHBondContact O-CD1 3.18Å; L83-Y97 PolarHBondContact O-N 2.92Å; L83-R98 HydrophobicContact CB-CB 4.34Å; L83-R98 HydrophobicContact CD2-CB 4.45Å; L83-R98 PolarHBondContact N-O 2.9Å; L83-L157 HydrophobicContact CD1-CD1 3.54Å; L83-L157 HydrophobicContact CD1-CD2 4.2Å; L83-L157 HydrophobicContact CD1-CG 4.42Å; L83-L157 HydrophobicContact CD2-CD1 3.88Å; L83-L157 HydrophobicContact CD2-CD2 4.11Å; L83-L157 HydrophobicContact CD2-CG 4.16Å; L83-L157 HydrophobicContact CG-CD1 4.32Å |
| 84 | V | 93.9 | Very high | 90.1 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 132.8 | 179.8 | 172 | 0 | 0 | 0 | 0 | 108.9 | F48 L73 I75 Y90 I94 | F48-V84 HydrophobicContact CD2-CG2 4.08Å; F48-V84 HydrophobicContact CE2-CG2 4.09Å; L73-V84 HydrophobicContact CB-CB 4.41Å; L73-V84 PolarHBondContact N-O 3.24Å; L73-V84 PolarHBondContact O-N 2.96Å; I75-V84 HydrophobicContact CD1-CG2 3.92Å; V84-Y90 HydrophobicContact CG1-CE2 3.76Å; V84-I94 HydrophobicContact CB-CG2 4.39Å; V84-I94 HydrophobicContact CG1-CG2 3.46Å; V84-I94 VanDerWaalsContact CG1-CG2 3.46Å; V84-I94 HydrophobicContact CG2-CG2 3.96Å |
| 85 | S | 91.9 | Very high | 89.7 | Confident | 20 Ų | 20 | 49.1 Ų | 49.1 | 14% | 0.14 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 122.9 | 176.6 | 178.1 | 0 | 0 | 0 | 0 | 109.7 | R87 E88 Y90 | S85-R87 VanDerWaalsContact C-N 3.29Å; S85-E88 VanDerWaalsContact CB-CD 3.47Å; S85-E88 VanDerWaalsContact CB-OE1 3.24Å; S85-E88 WeakPolarHBondContact CB-OE1 3.38Å; S85-Y90 PolarHBondContact N-OH 2.84Å; S85-Y90 WeakPolarHBondContact O-CE2 3.23Å; S85-Y90 PolarHBondContact O-OH 2.83Å |
| 86 | L | 90.8 | Very high | 89.4 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -34.4 | 174.2 | -66.5 | 175.8 | 0 | 0 | 0 | 111 | K68 D71 L73 E88 T504 Y508 | K68-L86 HydrophobicContact CD-CD1 3.57Å; K68-L86 HydrophobicContact CG-CD1 3.82Å; D71-L86 VanDerWaalsContact O-CB 3.3Å; D71-L86 WeakPolarHBondContact O-CB 3.28Å; D71-L86 WeakPolarHBondContact O-CG 3.41Å; D71-L86 PolarHBondContact O-N 3.3Å; L73-L86 HydrophobicContact CB-CD2 3.91Å; L73-L86 HydrophobicContact CB-CG 4.35Å; L86-E88 PolarHBondContact O-N 2.87Å; L86-T504 HydrophobicContact CB-CG2 4.2Å; L86-T504 VanDerWaalsContact O-CG2 3.25Å; L86-T504 WeakPolarHBondContact O-CG2 3.33Å; L86-Y508 HydrophobicContact CD2-CE1 4.44Å; L86-Y508 HydrophobicContact CD2-CE2 3.6Å; L86-Y508 WeakPolarHBondContact CD2-OH 3.41Å |
| 87 | R | 86.1 | Confident | 89.1 | Confident | 194 Ų | 194 | 55.5 Ų | 55.5 | 73% | 0.732 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.4 | -15.9 | -177 | -63.2 | -176.5 | 178.3 | -161.7 | 2.8 | 114.1 | D71 S85 | D71-R87 HydrophobicContact CB-CG 4.19Å; D71-R87 IonicContact OD2-CZ 3.33Å; D71-R87 IonicContact OD2-NE 2.77Å; D71-R87 PolarHBondContact OD2-NE 2.89Å; D71-R87 IonicContact OD2-NH2 3.1Å; D71-R87 PolarHBondContact OD2-NH2 2.83Å; S85-R87 VanDerWaalsContact C-N 3.29Å |
| 88 | E | 83.3 | Confident | 88.9 | Confident | 80 Ų | 80 | 60.1 Ų | 60.1 | 37% | 0.374 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -80.9 | 141.6 | -177.2 | -82.1 | 167.5 | -146.6 | 0 | 0 | 113.7 | S85 L86 Y90 R517 | S85-E88 VanDerWaalsContact CB-CD 3.47Å; S85-E88 VanDerWaalsContact CB-OE1 3.24Å; S85-E88 WeakPolarHBondContact CB-OE1 3.38Å; L86-E88 PolarHBondContact O-N 2.87Å; E88-Y90 HydrophobicContact CB-CD1 4.49Å; E88-Y90 HydrophobicContact CB-CE1 3.84Å; E88-Y90 HydrophobicContact CB-CE2 3.94Å; E88-Y90 PolarHBondContact O-N 3Å; E88-Y90 WeakPolarHBondContact OE2-CE1 3.49Å; E88-Y90 PolarHBondContact OE2-OH 3.07Å; E88-R517 PolarHBondContact O-NH1 3.39Å |
| 89 | S | 77.4 | Confident | 88.8 | Confident | 114 Ų | 114 | 63 Ų | 63 | 80% | 0.797 | 29% | 0.29 | S | S | * | . | trans | -92.9 | 71.3 | 179.4 | 51.9 | 0 | 0 | 0 | 0 | 112.2 | R91 | S89-R91 PolarHBondContact O-N 3.4Š| ||
| 90 | Y | 79.2 | Confident | 88.7 | Confident | 28 Ų | 28 | 63.5 Ų | 63.5 | 11% | 0.11 | 29% | 0.292 | C | S | . | . | trans | -59.4 | 125.9 | 175 | -56.2 | -59.7 | 0 | 0 | 0 | 111.7 | P46 V84 S85 E88 I94 I95 | P46-Y90 WeakPolarHBondContact CG-O 3.47Å; V84-Y90 HydrophobicContact CG1-CE2 3.76Å; S85-Y90 PolarHBondContact N-OH 2.84Å; S85-Y90 WeakPolarHBondContact O-CE2 3.23Å; S85-Y90 PolarHBondContact O-OH 2.83Å; E88-Y90 HydrophobicContact CB-CD1 4.49Å; E88-Y90 HydrophobicContact CB-CE1 3.84Å; E88-Y90 HydrophobicContact CB-CE2 3.94Å; E88-Y90 PolarHBondContact O-N 3Å; E88-Y90 WeakPolarHBondContact OE2-CE1 3.49Å; E88-Y90 PolarHBondContact OE2-OH 3.07Å; Y90-I94 HydrophobicContact CD2-CB 4.23Å; Y90-I94 HydrophobicContact CD2-CG1 3.93Å; Y90-I94 HydrophobicContact CD2-CG2 3.91Å; Y90-I94 HydrophobicContact CE2-CG2 3.78Å; Y90-I94 HydrophobicContact CG-CB 4.29Å; Y90-I94 HydrophobicContact CG-CG1 4.06Å; Y90-I94 HydrophobicContact CG-CG2 4.37Å; Y90-I95 PolarHBondContact OH-O 2.85Å | ||
| 91 | R | 76.1 | Confident | 88.7 | Confident | 223 Ų | 223 | 65.4 Ų | 65.4 | 84% | 0.842 | 31% | 0.305 | S | S | * | . | S | Bend | trans | -86.8 | -55.4 | 175.9 | -71.6 | -168.3 | 178.1 | -150.4 | 0.8 | 113.3 | S89 | S89-R91 PolarHBondContact O-N 3.4Š|
| 92 | N | 80.7 | Confident | 88.7 | Confident | 119 Ų | 119 | 65.6 Ų | 65.6 | 64% | 0.636 | 31% | 0.306 | S | S | * | . | S | Bend | trans | -121 | -35.9 | -169.3 | -73.3 | -18.5 | 0 | 0 | 0 | 114.2 | K484 | N92-K484 PolarHBondContact O-NZ 3.03Š|
| 93 | E | 88.1 | Confident | 88.7 | Confident | 68 Ų | 68 | 72.6 Ų | 72.6 | 32% | 0.318 | 33% | 0.332 | S | S | . | . | B | Isolated β-bridge | trans | -139.2 | 145.4 | -176.4 | -178.2 | 146.2 | -112.4 | 0 | 0 | 108 | V47 R49 | V47-E93 WeakPolarHBondContact O-CA 3.48Å; R49-E93 IonicContact CZ-OE1 3.23Å; R49-E93 IonicContact NE-OE1 2.85Å; R49-E93 PolarHBondContact NE-OE1 2.86Å; R49-E93 IonicContact NH2-OE1 2.68Å; R49-E93 PolarHBondContact NH2-OE1 2.88Å |
| 94 | I | 91 | Very high | 88.8 | Confident | 6 Ų | 6 | 72.9 Ų | 72.9 | 3% | 0.031 | 33% | 0.334 | C | S | . | . | trans | -96.6 | 131.1 | 177.9 | -59.6 | 173.1 | 0 | 0 | 0 | 107.1 | P46 V47 F48 V84 Y90 Y508 R517 | P46-I94 HydrophobicContact CB-CD1 4.14Å; P46-I94 HydrophobicContact CB-CG1 3.63Å; V47-I94 PolarHBondContact O-N 3.31Å; F48-I94 HydrophobicContact CB-CB 3.82Å; F48-I94 HydrophobicContact CB-CD1 4.2Å; F48-I94 HydrophobicContact CB-CG2 4.05Å; F48-I94 HydrophobicContact CD2-CB 4.24Å; F48-I94 HydrophobicContact CD2-CG2 4Å; F48-I94 WeakPolarHBondContact CD2-O 3.39Å; F48-I94 HydrophobicContact CG-CG2 4.44Å; V84-I94 HydrophobicContact CB-CG2 4.39Å; V84-I94 HydrophobicContact CG1-CG2 3.46Å; V84-I94 VanDerWaalsContact CG1-CG2 3.46Å; V84-I94 HydrophobicContact CG2-CG2 3.96Å; Y90-I94 HydrophobicContact CD2-CB 4.23Å; Y90-I94 HydrophobicContact CD2-CG1 3.93Å; Y90-I94 HydrophobicContact CD2-CG2 3.91Å; Y90-I94 HydrophobicContact CE2-CG2 3.78Å; Y90-I94 HydrophobicContact CG-CB 4.29Å; Y90-I94 HydrophobicContact CG-CG1 4.06Å; Y90-I94 HydrophobicContact CG-CG2 4.37Å; I94-Y508 HydrophobicContact CD1-CE1 4.45Å; I94-R517 HydrophobicContact CD1-CB 3.77Å | ||
| 95 | I | 89.1 | Confident | 88.8 | Confident | 111 Ų | 111 | 74.6 Ų | 74.6 | 57% | 0.569 | 35% | 0.352 | S | S | * | . | trans | -116 | 133.5 | -175 | -56.4 | 176.8 | 0 | 0 | 0 | 108.7 | Y90 | Y90-I95 PolarHBondContact OH-O 2.85Š| ||
| 96 | S | 91 | Very high | 88.9 | Confident | 22 Ų | 22 | 78.9 Ų | 78.9 | 15% | 0.154 | 37% | 0.37 | C | S | . | . | trans | -84.9 | 126.5 | 173.1 | 55.4 | 0 | 0 | 0 | 0 | 110.7 | L83 | L83-S96 CarbonylContact O-C 3.51Å; L83-S96 WeakPolarHBondContact O-CA 3.28Å; L83-S96 VanDerWaalsContact O-CB 3.31Å; L83-S96 WeakPolarHBondContact O-CB 3.47Å | ||
| 97 | Y | 90.6 | Very high | 89.1 | Confident | 115 Ų | 115 | 81.2 Ų | 81.2 | 45% | 0.451 | 39% | 0.394 | S | S | . | . | S | Bend | trans | -78.8 | -21.4 | 179.3 | 70 | -93.1 | 0 | 0 | 0 | 113 | T72 L83 | T72-Y97 HydrophobicContact CG2-CE1 4.09Å; T72-Y97 WeakPolarHBondContact CG2-OH 3.38Å; T72-Y97 PolarHBondContact OG1-OH 3Å; T72-Y97 VanDerWaalsContact OG1-OH 3.12Å; L83-Y97 HydrophobicContact CB-CE1 3.88Å; L83-Y97 HydrophobicContact CB-CE2 4.41Å; L83-Y97 WeakPolarHBondContact O-CD1 3.18Å; L83-Y97 PolarHBondContact O-N 2.92Å |
| 98 | R | 90.4 | Very high | 89.5 | Confident | 97 Ų | 97 | 73.8 Ų | 73.8 | 37% | 0.366 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 148.7 | 173.7 | -162.1 | -170.9 | -74.7 | -89 | 3.6 | 109.9 | L83 D155 N156 L157 | L83-R98 HydrophobicContact CB-CB 4.34Å; L83-R98 HydrophobicContact CD2-CB 4.45Å; L83-R98 PolarHBondContact N-O 2.9Å; R98-D155 VanDerWaalsContact CZ-O 3.31Å; R98-D155 PolarHBondContact NE-O 3.27Å; R98-D155 PolarHBondContact NH2-O 3.48Å; R98-N156 WeakPolarHBondContact CD-O 3.43Å; R98-N156 VanDerWaalsContact CZ-CA 3.48Å; R98-N156 PolarHBondContact NH1-O 2.91Å; R98-L157 HydrophobicContact CB-CD1 4.48Å; R98-L157 HydrophobicContact CG-CD1 3.9Å |
| 99 | K | 91.5 | Very high | 90.1 | Very high | 86 Ų | 86 | 72.5 Ų | 72.5 | 37% | 0.374 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 141 | 170.8 | 68.5 | 177 | -173.4 | 170.7 | 0 | 111.1 | P52 D56 V81 Y82 | P52-K99 HydrophobicContact CB-CD 4.2Å; P52-K99 VanDerWaalsContact CB-NZ 3.33Å; P52-K99 HydrophobicContact CG-CD 4.36Å; P52-K99 VanDerWaalsContact CG-NZ 3.35Å; D56-K99 IonicContact OD2-NZ 3.51Å; V81-K99 CarbonylContact O-C 3.6Å; V81-K99 WeakPolarHBondContact O-CA 3.25Å; Y82-K99 HydrophobicContact CD1-CB 4.08Å |
| 100 | L | 93.9 | Very high | 90.9 | Very high | 16 Ų | 16 | 72.1 Ų | 72.1 | 8% | 0.084 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 138.2 | 162.7 | 168.6 | 64.1 | 0 | 0 | 0 | 108.1 | Q80 V81 I139 Y152 L157 | Q80-L100 VanDerWaalsContact CA-O 3.29Å; Q80-L100 WeakPolarHBondContact CA-O 3.44Å; V81-L100 HydrophobicContact CB-CB 4.29Å; V81-L100 HydrophobicContact CG2-CD2 4.42Å; V81-L100 PolarHBondContact N-O 2.84Å; V81-L100 PolarHBondContact O-N 3.34Å; L100-I139 HydrophobicContact CD2-CD1 3.92Å; L100-Y152 HydrophobicContact CD1-CD1 4.06Å; L100-Y152 HydrophobicContact CD1-CE1 3.46Å; L100-Y152 VanDerWaalsContact CD1-CE1 3.46Å; L100-Y152 HydrophobicContact CD2-CD1 4.07Å; L100-Y152 HydrophobicContact CD2-CD2 4.03Å; L100-Y152 HydrophobicContact CD2-CE1 3.86Å; L100-Y152 HydrophobicContact CD2-CE2 3.78Å; L100-Y152 HydrophobicContact CD2-CG 4.15Å; L100-Y152 HydrophobicContact CG-CE1 4.32Å; L100-L157 HydrophobicContact CB-CB 4.33Å; L100-L157 HydrophobicContact CB-CD1 3.94Å |
| 101 | T | 93.8 | Very high | 91.7 | Very high | 62 Ų | 62 | 75.7 Ų | 75.7 | 38% | 0.38 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 118.1 | 172.1 | -62.1 | 0 | 0 | 0 | 0 | 109.4 | D79 Q80 R103 | D79-T101 WeakPolarHBondContact O-CA 3.44Å; Q80-T101 HydrophobicContact CG-CG2 4.24Å; T101-R103 HydrophobicContact CG2-CG 4.13Å |
| 102 | W | 95 | Very high | 92.6 | Very high | 7 Ų | 7 | 65 Ų | 65 | 3% | 0.027 | 33% | 0.325 | C | S | . | . | trans | -134.1 | 88 | 178.8 | 177.7 | 15.6 | 0 | 0 | 0 | 108.6 | D79 N124 I126 I139 M148 R150 Y152 | D79-W102 CarbonylContact O-C 3.56Å; D79-W102 PolarHBondContact O-N 2.77Å; W102-N124 VanDerWaalsContact CG-ND2 3.34Å; W102-N124 WeakPolarHBondContact O-CB 3.4Å; W102-N124 PolarHBondContact O-ND2 2.67Å; W102-I126 HydrophobicContact CD2-CD1 4.44Å; W102-I126 HydrophobicContact CE3-CD1 3.7Å; W102-I126 HydrophobicContact CZ3-CD1 4.15Å; W102-I139 HydrophobicContact CE3-CG2 4.43Å; W102-I139 HydrophobicContact CZ3-CB 4.46Å; W102-I139 HydrophobicContact CZ3-CG2 4.12Å; W102-M148 HydrophobicContact CH2-CB 4.42Å; W102-M148 WeakPolarHBondContact CH2-O 3.38Å; W102-M148 HydrophobicContact CZ2-CB 3.98Å; W102-R150 HydrophobicContact CH2-CB 4.29Å; W102-R150 HydrophobicContact CH2-CG 3.89Å; W102-R150 HydrophobicContact CZ2-CG 3.91Å; W102-R150 HydrophobicContact CZ3-CB 4.47Å; W102-R150 HydrophobicContact CZ3-CG 4.43Å; W102-R150 VanDerWaalsContact NE1-CZ 3.33Å; W102-Y152 HydrophobicContact CE3-CE2 4.19Å; W102-Y152 HydrophobicContact CZ3-CE2 4.4Å | ||
| 103 | R | 95 | Very high | 93.2 | Very high | 155 Ų | 155 | 61.5 Ų | 61.5 | 59% | 0.585 | 31% | 0.312 | S | S | * | . | P | Polyproline II helix | trans | -82.7 | 150.6 | 175.4 | -67.7 | 167.8 | -178.5 | -169.8 | 0 | 110 | D79 T101 | D79-R103 HydrophobicContact CB-CB 4.5Å; D79-R103 HydrophobicContact CB-CG 3.73Å; T101-R103 HydrophobicContact CG2-CG 4.13Å |
| 104 | S | 95.6 | Very high | 93.6 | Very high | 7 Ų | 7 | 64.1 Ų | 64.1 | 5% | 0.049 | 33% | 0.332 | C | S | . | . | P | Polyproline II helix | trans | -63.3 | 150 | 168.8 | -32.6 | 0 | 0 | 0 | 0 | 111.8 | H123 N124 N143 G144 | S104-H123 VanDerWaalsContact OG-C 3.29Å; S104-N124 PolarHBondContact OG-N 2.7Å; S104-N124 VanDerWaalsContact OG-N 3.1Å; S104-N143 VanDerWaalsContact CA-OD1 3.23Å; S104-N143 WeakPolarHBondContact CA-OD1 3.43Å; S104-N143 WeakPolarHBondContact CB-OD1 3.17Å; S104-G144 PolarHBondContact OG-N 2.8Å |
| 105 | G | 94.4 | Very high | 93.7 | Very high | 37 Ų | 37 | 68 Ų | 68 | 38% | 0.381 | 35% | 0.349 | S | S | . | . | P | Polyproline II helix | trans | -63.6 | 150.1 | 170 | 0 | 0 | 0 | 0 | 0 | 111.5 | G107 D108 R109 | G105-G107 VanDerWaalsContact C-N 3.27Å; G105-G107 PolarHBondContact O-N 3.47Å; G105-D108 WeakPolarHBondContact O-CB 3.39Å; G105-D108 PolarHBondContact O-N 2.82Å; G105-D108 VanDerWaalsContact O-N 3.08Å; G105-R109 PolarHBondContact O-N 3.3Å |
| 106 | Q | 94.4 | Very high | 93.9 | Very high | 110 Ų | 110 | 66 Ų | 66 | 51% | 0.514 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -58.9 | -40.2 | -177.5 | -177.2 | 60.3 | 18.5 | 0 | 0 | 112.1 | D108 R109 E110 | Q106-D108 PolarHBondContact O-N 2.74Å; Q106-R109 WeakPolarHBondContact O-CB 3.4Å; Q106-R109 PolarHBondContact O-N 3.15Å; Q106-R109 VanDerWaalsContact O-N 3.16Å; Q106-E110 WeakPolarHBondContact CG-OE1 3.26Å; Q106-E110 PolarHBondContact NE2-OE1 2.78Å; Q106-E110 WeakPolarHBondContact O-CG 3.32Å; Q106-E110 PolarHBondContact O-N 2.84Å |
| 107 | G | 95.1 | Very high | 94 | Very high | 48 Ų | 48 | 67.7 Ų | 67.7 | 50% | 0.495 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -63.3 | -35.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | G105 R109 M111 | G105-G107 VanDerWaalsContact C-N 3.27Å; G105-G107 PolarHBondContact O-N 3.47Å; G107-R109 VanDerWaalsContact C-N 3.34Å; G107-M111 WeakPolarHBondContact O-CB 3.41Å; G107-M111 PolarHBondContact O-N 2.67Å |
| 108 | D | 94.1 | Very high | 94.1 | Very high | 38 Ų | 38 | 68.7 Ų | 68.7 | 20% | 0.203 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -63.4 | -42.1 | 172.4 | -72.2 | -53.4 | 0 | 0 | 0 | 110.8 | G105 Q106 M111 C112 N143 N146 | G105-D108 WeakPolarHBondContact O-CB 3.39Å; G105-D108 PolarHBondContact O-N 2.82Å; G105-D108 VanDerWaalsContact O-N 3.08Å; Q106-D108 PolarHBondContact O-N 2.74Å; D108-M111 PolarHBondContact O-N 2.85Å; D108-C112 WeakPolarHBondContact O-CB 3.25Å; D108-C112 PolarHBondContact O-N 3.39Å; D108-N143 VanDerWaalsContact CG-ND2 3.31Å; D108-N143 PolarHBondContact OD2-ND2 3.42Å; D108-N146 PolarHBondContact OD1-ND2 3.2Å |
| 109 | R | 94.9 | Very high | 94.1 | Very high | 53 Ų | 53 | 73.6 Ų | 73.6 | 20% | 0.2 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -67.3 | -40.5 | -179.8 | -60.4 | -165.9 | 164.7 | 143.1 | -5.8 | 112.5 | D79 G105 Q106 G107 C112 A113 C122 H123 | D79-R109 IonicContact OD1-NH2 2.91Å; D79-R109 PolarHBondContact OD1-NH2 3.36Å; D79-R109 IonicContact OD2-NH2 2.65Å; G105-R109 PolarHBondContact O-N 3.3Å; Q106-R109 WeakPolarHBondContact O-CB 3.4Å; Q106-R109 PolarHBondContact O-N 3.15Å; Q106-R109 VanDerWaalsContact O-N 3.16Å; G107-R109 VanDerWaalsContact C-N 3.34Å; R109-C112 WeakPolarHBondContact O-CB 3.35Å; R109-C112 PolarHBondContact O-N 3.12Å; R109-A113 PolarHBondContact O-N 3.22Å; R109-C122 WeakPolarHBondContact CD-O 3.49Å; R109-C122 VanDerWaalsContact CG-O 3.28Å; R109-C122 WeakPolarHBondContact CG-O 3.26Å; R109-C122 PolarHBondContact NE-O 3.29Å; R109-H123 PolarHBondContact NH2-ND1 2.99Å |
| 110 | E | 95.1 | Very high | 93.9 | Very high | 107 Ų | 107 | 75.8 Ų | 75.8 | 50% | 0.5 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -68.4 | -45.6 | 175.7 | -72.8 | 166.7 | -177.5 | 0 | 0 | 111 | Q106 C112 A113 V114 | Q106-E110 WeakPolarHBondContact CG-OE1 3.26Å; Q106-E110 PolarHBondContact NE2-OE1 2.78Å; Q106-E110 WeakPolarHBondContact O-CG 3.32Å; Q106-E110 PolarHBondContact O-N 2.84Å; E110-C112 VanDerWaalsContact C-N 3.27Å; E110-C112 PolarHBondContact O-N 3.42Å; E110-A113 PolarHBondContact O-N 3.31Å; E110-V114 WeakPolarHBondContact O-CG2 3.12Å; E110-V114 PolarHBondContact O-N 2.85Å |
| 111 | M | 95.1 | Very high | 93.8 | Very high | 102 Ų | 102 | 76.5 Ų | 76.5 | 50% | 0.502 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -59.8 | -36.4 | 173.3 | -178.6 | 56.5 | 59.6 | 0 | 0 | 112.4 | G107 D108 K115 | G107-M111 WeakPolarHBondContact O-CB 3.41Å; G107-M111 PolarHBondContact O-N 2.67Å; D108-M111 PolarHBondContact O-N 2.85Å; M111-K115 WeakPolarHBondContact O-CD 3.23Å; M111-K115 VanDerWaalsContact O-CG 3.24Å; M111-K115 WeakPolarHBondContact O-CG 3.21Å; M111-K115 PolarHBondContact O-N 3.14Å; M111-K115 VanDerWaalsContact O-N 3.09Å |
| 112 | C | 95.6 | Very high | 93.9 | Very high | 0 Ų | 0 | 73.6 Ų | 73.6 | 0% | 0 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -64.8 | -46.2 | 173.2 | 174.8 | 0 | 0 | 0 | 0 | 112.6 | D108 R109 E110 K115 K117 C122 G144 F145 | D108-C112 WeakPolarHBondContact O-CB 3.25Å; D108-C112 PolarHBondContact O-N 3.39Å; R109-C112 WeakPolarHBondContact O-CB 3.35Å; R109-C112 PolarHBondContact O-N 3.12Å; E110-C112 VanDerWaalsContact C-N 3.27Å; E110-C112 PolarHBondContact O-N 3.42Å; C112-K115 WeakPolarHBondContact O-CB 3.41Å; C112-K115 PolarHBondContact O-N 3.04Å; C112-K117 PolarHBondContact O-N 3.36Å; C112-C122 VanDerWaalsContact C-SG 3.54Å; C112-C122 HydrophobicContact CB-CB 3.67Å; C112-C122 WeakPolarHBondContact CB-SG 3.35Å; C112-C122 WeakPolarHBondContact SG-CA 3.29Å; C112-C122 WeakPolarHBondContact SG-CB 3.26Å; C112-C122 CovalentContact SG-SG 2.04Å; C112-C122 PolarHBondContact SG-SG 2.9Å; C112-G144 WeakPolarHBondContact CB-O 3.22Å; C112-F145 VanDerWaalsContact SG-CD2 3.52Å |
| 113 | A | 94.4 | Very high | 93.9 | Very high | 44 Ų | 44 | 75.2 Ų | 75.2 | 36% | 0.364 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -64.8 | -39 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112 | R109 E110 K115 G116 | R109-A113 PolarHBondContact O-N 3.22Å; E110-A113 PolarHBondContact O-N 3.31Å; A113-K115 VanDerWaalsContact C-N 3.26Å; A113-K115 PolarHBondContact O-N 3.19Å; A113-G116 WeakPolarHBondContact O-CA 3.12Å; A113-G116 PolarHBondContact O-N 3.17Å |
| 114 | V | 94.9 | Very high | 94 | Very high | 123 Ų | 123 | 67.8 Ų | 67.8 | 75% | 0.745 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -63.7 | -29.7 | 174.1 | 169.6 | 0 | 0 | 0 | 0 | 112.2 | E110 G116 | E110-V114 WeakPolarHBondContact O-CG2 3.12Å; E110-V114 PolarHBondContact O-N 2.85Å; V114-G116 PolarHBondContact O-N 2.73Å |
| 115 | K | 93.1 | Very high | 94.1 | Very high | 89 Ų | 89 | 68.3 Ų | 68.3 | 39% | 0.387 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.3 | 9 | 169.7 | -66.9 | 164.2 | -175.7 | 169.8 | 0 | 113.8 | M111 C112 A113 F198 | M111-K115 WeakPolarHBondContact O-CD 3.23Å; M111-K115 VanDerWaalsContact O-CG 3.24Å; M111-K115 WeakPolarHBondContact O-CG 3.21Å; M111-K115 PolarHBondContact O-N 3.14Å; M111-K115 VanDerWaalsContact O-N 3.09Å; C112-K115 WeakPolarHBondContact O-CB 3.41Å; C112-K115 PolarHBondContact O-N 3.04Å; A113-K115 VanDerWaalsContact C-N 3.26Å; A113-K115 PolarHBondContact O-N 3.19Å; K115-F198 HydrophobicContact CB-CE1 4.4Å; K115-F198 HydrophobicContact CB-CE2 4.17Å; K115-F198 HydrophobicContact CB-CZ 3.7Å; K115-F198 HydrophobicContact CD-CD2 4.25Å; K115-F198 HydrophobicContact CD-CE2 3.77Å; K115-F198 HydrophobicContact CD-CZ 4.08Å; K115-F198 HydrophobicContact CG-CZ 4.37Å |
| 116 | G | 93.7 | Very high | 94.3 | Very high | 67 Ų | 67 | 66.6 Ų | 66.6 | 69% | 0.691 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.6 | 17.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | A113 V114 | A113-G116 WeakPolarHBondContact O-CA 3.12Å; A113-G116 PolarHBondContact O-N 3.17Å; V114-G116 PolarHBondContact O-N 2.73Å |
| 117 | K | 94.3 | Very high | 94.4 | Very high | 58 Ų | 58 | 62.4 Ų | 62.4 | 25% | 0.252 | 33% | 0.331 | S | S | . | . | trans | -88.4 | 150.5 | 175.8 | -74.9 | -74.6 | -178.2 | 166.1 | 0 | 111.9 | C112 E121 F145 D173 F198 | C112-K117 PolarHBondContact O-N 3.36Å; K117-E121 VanDerWaalsContact CD-OE2 3.32Å; K117-E121 WeakPolarHBondContact CD-OE2 3.47Å; K117-F145 HydrophobicContact CB-CD2 4.49Å; K117-F145 HydrophobicContact CB-CE2 4.29Å; K117-F145 HydrophobicContact CD-CD1 4.37Å; K117-F145 HydrophobicContact CD-CD2 4.49Å; K117-F145 HydrophobicContact CD-CE1 3.77Å; K117-F145 HydrophobicContact CD-CE2 3.87Å; K117-F145 HydrophobicContact CD-CZ 3.48Å; K117-F145 VanDerWaalsContact CD-CZ 3.48Å; K117-F145 VanDerWaalsContact CE-CZ 3.46Å; K117-F145 HydrophobicContact CG-CD1 4.32Å; K117-F145 HydrophobicContact CG-CD2 4.13Å; K117-F145 HydrophobicContact CG-CE1 4.2Å; K117-F145 HydrophobicContact CG-CE2 3.96Å; K117-F145 HydrophobicContact CG-CG 4.33Å; K117-F145 HydrophobicContact CG-CZ 4.01Å; K117-D173 IonicContact NZ-OD2 3.21Å; K117-D173 PolarHBondContact NZ-OD2 2.87Å; K117-F198 HydrophobicContact CG-CE2 4.5Å; K117-F198 HydrophobicContact CG-CZ 4.19Å | ||
| 118 | H | 92.3 | Very high | 94.6 | Very high | 137 Ų | 137 | 60.3 Ų | 60.3 | 63% | 0.634 | 31% | 0.309 | S | S | * | . | trans | -69.3 | 145.8 | 178.4 | -70.5 | -83.3 | 0 | 0 | 0 | 110.9 | D120 E121 C122 | H118-D120 PolarHBondContact O-N 3.01Å; H118-D120 VanDerWaalsContact O-N 3.17Å; H118-E121 HydrophobicContact CB-CG 4.1Å; H118-E121 IonicContact CD2-OE2 2.75Å; H118-E121 PolarHBondContact N-OE2 2.84Å; H118-E121 WeakPolarHBondContact O-CA 3.11Å; H118-E121 WeakPolarHBondContact O-CB 3.49Å; H118-E121 PolarHBondContact O-N 2.85Å; H118-C122 PolarHBondContact O-N 3.23Å; H118-C122 VanDerWaalsContact O-N 3.16Å; H118-C122 PolarHBondContact O-SG 3.19Å; H118-C122 VanDerWaalsContact O-SG 3.39Å | ||
| 119 | R | 89.9 | Confident | 94.7 | Very high | 200 Ų | 200 | 59 Ų | 59 | 76% | 0.755 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | -36.7 | -175.9 | -60.9 | -173.9 | 75.6 | 177.9 | 4.8 | 112.8 | E121 C122 H123 | R119-E121 VanDerWaalsContact C-N 3.28Å; R119-E121 PolarHBondContact O-N 2.97Å; R119-C122 WeakPolarHBondContact O-CB 3.25Å; R119-C122 PolarHBondContact O-N 3.41Å; R119-C122 VanDerWaalsContact O-N 3.11Å; R119-H123 PolarHBondContact O-CD2 3.23Å |
| 120 | D | 87.5 | Confident | 94.7 | Very high | 131 Ų | 131 | 57.4 Ų | 57.4 | 70% | 0.701 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.7 | -26.3 | 177.7 | -52.6 | -37.1 | 0 | 0 | 0 | 113 | H118 F125 | H118-D120 PolarHBondContact O-N 3.01Å; H118-D120 VanDerWaalsContact O-N 3.17Å; D120-F125 WeakPolarHBondContact O-CZ 3.45Å |
| 121 | E | 91.6 | Very high | 94.5 | Very high | 31 Ų | 31 | 55.4 Ų | 55.4 | 15% | 0.145 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.6 | -23.1 | 173.8 | -53.1 | -178.6 | 137.8 | 0 | 0 | 111.5 | K117 H118 R119 H123 F145 K175 | K117-E121 VanDerWaalsContact CD-OE2 3.32Å; K117-E121 WeakPolarHBondContact CD-OE2 3.47Å; H118-E121 HydrophobicContact CB-CG 4.1Å; H118-E121 IonicContact CD2-OE2 2.75Å; H118-E121 PolarHBondContact N-OE2 2.84Å; H118-E121 WeakPolarHBondContact O-CA 3.11Å; H118-E121 WeakPolarHBondContact O-CB 3.49Å; H118-E121 PolarHBondContact O-N 2.85Å; R119-E121 VanDerWaalsContact C-N 3.28Å; R119-E121 PolarHBondContact O-N 2.97Å; E121-H123 PolarHBondContact O-N 2.95Å; E121-F145 HydrophobicContact CB-CE2 3.82Å; E121-F145 HydrophobicContact CB-CZ 4.28Å; E121-F145 WeakPolarHBondContact O-CE2 3.06Å; E121-K175 IonicContact OE1-NZ 2.76Å; E121-K175 PolarHBondContact OE1-NZ 2.93Å |
| 122 | C | 95.5 | Very high | 94.2 | Very high | 2 Ų | 2 | 54.1 Ų | 54.1 | 1% | 0.014 | 28% | 0.283 | C | S | . | . | S | Bend | trans | -78.8 | 49.3 | 179 | -62.7 | 0 | 0 | 0 | 0 | 113.4 | R109 C112 H118 R119 | R109-C122 WeakPolarHBondContact CD-O 3.49Å; R109-C122 VanDerWaalsContact CG-O 3.28Å; R109-C122 WeakPolarHBondContact CG-O 3.26Å; R109-C122 PolarHBondContact NE-O 3.29Å; C112-C122 VanDerWaalsContact C-SG 3.54Å; C112-C122 HydrophobicContact CB-CB 3.67Å; C112-C122 WeakPolarHBondContact CB-SG 3.35Å; C112-C122 WeakPolarHBondContact SG-CA 3.29Å; C112-C122 WeakPolarHBondContact SG-CB 3.26Å; C112-C122 CovalentContact SG-SG 2.04Å; C112-C122 PolarHBondContact SG-SG 2.9Å; H118-C122 PolarHBondContact O-N 3.23Å; H118-C122 VanDerWaalsContact O-N 3.16Å; H118-C122 PolarHBondContact O-SG 3.19Å; H118-C122 VanDerWaalsContact O-SG 3.39Å; R119-C122 WeakPolarHBondContact O-CB 3.25Å; R119-C122 PolarHBondContact O-N 3.41Å; R119-C122 VanDerWaalsContact O-N 3.11Å |
| 123 | H | 95.4 | Very high | 93.7 | Very high | 40 Ų | 40 | 57 Ų | 57 | 19% | 0.185 | 30% | 0.299 | C | S | . | . | S | Bend | trans | -124.1 | 171.9 | 175.9 | -79 | -106 | 0 | 0 | 0 | 111.5 | R78 D79 S104 R109 R119 E121 F125 T142 G144 | R78-H123 HydrophobicContact CG-CB 3.58Å; D79-H123 IonicContact OD1-ND1 2.76Å; D79-H123 PolarHBondContact OD1-ND1 3.16Å; D79-H123 IonicContact OD2-CE1 3.71Å; D79-H123 IonicContact OD2-CG 3.64Å; D79-H123 IonicContact OD2-ND1 3.16Å; D79-H123 PolarHBondContact OD2-ND1 3.47Å; S104-H123 VanDerWaalsContact OG-C 3.29Å; R109-H123 PolarHBondContact NH2-ND1 2.99Å; R119-H123 PolarHBondContact O-CD2 3.23Å; E121-H123 PolarHBondContact O-N 2.95Å; H123-F125 HydrophobicContact CB-CD2 4.22Å; H123-F125 HydrophobicContact CB-CE2 3.74Å; H123-F125 HydrophobicContact CB-CZ 4.27Å; H123-F125 PolarHBondContact O-N 3.31Å; H123-T142 PolarHBondContact O-OG1 2.83Å; H123-G144 PolarHBondContact O-N 2.78Å |
| 124 | N | 97.1 | Very high | 93.4 | Very high | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 31% | 0.311 | C | S | . | . | trans | -92.2 | 94.3 | 174.9 | -172.6 | 27.8 | 0 | 0 | 0 | 109.8 | D79 W102 S104 G141 T142 N143 | D79-N124 WeakPolarHBondContact CA-O 3.11Å; D79-N124 PolarHBondContact N-O 2.85Å; D79-N124 PolarHBondContact OD1-N 2.79Å; W102-N124 VanDerWaalsContact CG-ND2 3.34Å; W102-N124 WeakPolarHBondContact O-CB 3.4Å; W102-N124 PolarHBondContact O-ND2 2.67Å; S104-N124 PolarHBondContact OG-N 2.7Å; S104-N124 VanDerWaalsContact OG-N 3.1Å; N124-G141 VanDerWaalsContact OD1-CA 3.24Å; N124-G141 WeakPolarHBondContact OD1-CA 3.04Å; N124-T142 PolarHBondContact OD1-N 2.8Å; N124-N143 WeakPolarHBondContact OD1-CA 3.47Å; N124-N143 PolarHBondContact OD1-N 2.96Å | ||
| 125 | F | 97.6 | Very high | 93.2 | Very high | 18 Ų | 18 | 59.6 Ų | 59.6 | 8% | 0.079 | 30% | 0.302 | C | S | . | . | B | Isolated β-bridge | trans | -85.4 | 124.4 | 173.8 | -62.7 | -98.8 | 0 | 0 | 0 | 108.3 | D62 Q64 R78 D120 H123 K127 G141 T142 A174 | D62-F125 HydrophobicContact CB-CD1 4.38Å; D62-F125 HydrophobicContact CB-CE1 3.94Å; Q64-F125 HydrophobicContact CG-CB 4.21Å; R78-F125 HydrophobicContact CB-CD1 3.72Å; R78-F125 HydrophobicContact CB-CE1 3.71Å; R78-F125 HydrophobicContact CB-CG 4.45Å; R78-F125 HydrophobicContact CB-CZ 4.41Å; R78-F125 HydrophobicContact CG-CD1 3.98Å; R78-F125 HydrophobicContact CG-CE1 3.74Å; R78-F125 HydrophobicContact CG-CE2 4.33Å; R78-F125 HydrophobicContact CG-CG 4.39Å; R78-F125 HydrophobicContact CG-CZ 3.93Å; D120-F125 WeakPolarHBondContact O-CZ 3.45Å; H123-F125 HydrophobicContact CB-CD2 4.22Å; H123-F125 HydrophobicContact CB-CE2 3.74Å; H123-F125 HydrophobicContact CB-CZ 4.27Å; H123-F125 PolarHBondContact O-N 3.31Å; F125-K127 WeakPolarHBondContact O-CG 3.47Å; F125-K127 PolarHBondContact O-N 2.89Å; F125-G141 CarbonylContact O-C 3.57Å; F125-G141 WeakPolarHBondContact O-CA 3.2Å; F125-T142 HydrophobicContact CB-CG2 4.09Å; F125-T142 PolarHBondContact N-OG1 2.99Å; F125-T142 PolarHBondContact O-N 3.01Å; F125-A174 HydrophobicContact CB-CB 3.74Å; F125-A174 HydrophobicContact CD1-CB 3.7Å; F125-A174 HydrophobicContact CD2-CB 3.61Å; F125-A174 HydrophobicContact CE1-CB 4.12Å; F125-A174 HydrophobicContact CE2-CB 4.05Å; F125-A174 HydrophobicContact CG-CB 3.4Å; F125-A174 VanDerWaalsContact CG-CB 3.4Å; F125-A174 HydrophobicContact CZ-CB 4.29Å |
| 126 | I | 98.1 | Very high | 93.1 | Very high | 1 Ų | 1 | 56.7 Ų | 56.7 | 1% | 0.005 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 113.8 | -177.5 | -56.7 | -57.5 | 0 | 0 | 0 | 109.2 | Q64 A76 G77 V81 W102 I139 | Q64-I126 WeakPolarHBondContact CB-O 3.27Å; Q64-I126 WeakPolarHBondContact CG-O 3.33Å; A76-I126 HydrophobicContact CB-CB 4.08Å; A76-I126 HydrophobicContact CB-CG2 3.9Å; G77-I126 PolarHBondContact O-N 2.86Å; V81-I126 HydrophobicContact CG2-CB 4.29Å; V81-I126 HydrophobicContact CG2-CG1 3.95Å; V81-I126 HydrophobicContact CG2-CG2 3.91Å; W102-I126 HydrophobicContact CD2-CD1 4.44Å; W102-I126 HydrophobicContact CE3-CD1 3.7Å; W102-I126 HydrophobicContact CZ3-CD1 4.15Å; I126-I139 HydrophobicContact CD1-CG2 4.35Å; I126-I139 HydrophobicContact CG2-CG2 3.53Å |
| 127 | K | 97.8 | Very high | 93.2 | Very high | 21 Ų | 21 | 53.5 Ų | 53.5 | 9% | 0.091 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | -11.8 | -169.7 | -63.9 | -67.3 | -64 | -171 | 0 | 113.8 | Q64 L65 F125 C140 T142 P171 A174 Q176 N178 | Q64-K127 HydrophobicContact CB-CD 4.22Å; Q64-K127 HydrophobicContact CG-CD 4Å; L65-K127 WeakPolarHBondContact CD2-O 3.46Å; F125-K127 WeakPolarHBondContact O-CG 3.47Å; F125-K127 PolarHBondContact O-N 2.89Å; K127-C140 PolarHBondContact N-O 2.86Å; K127-T142 HydrophobicContact CG-CG2 3.95Å; K127-P171 HydrophobicContact CB-CG 4.03Å; K127-P171 HydrophobicContact CD-CG 4.49Å; K127-P171 HydrophobicContact CG-CG 3.94Å; K127-A174 PolarHBondContact NZ-O 3.14Å; K127-Q176 VanDerWaalsContact CE-O 3.3Å; K127-Q176 WeakPolarHBondContact CE-O 3.39Å; K127-Q176 PolarHBondContact NZ-O 3.27Å; K127-N178 WeakPolarHBondContact CE-OD1 3.29Å; K127-N178 PolarHBondContact O-ND2 2.8Å |
| 128 | V | 97.9 | Very high | 93.2 | Very high | 5 Ų | 5 | 50.8 Ų | 50.8 | 3% | 0.03 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 133.5 | 172 | 174.2 | 0 | 0 | 0 | 0 | 108.3 | V130 F138 I139 C140 R169 A180 | V128-V130 HydrophobicContact CG1-CG1 4.33Å; V128-V130 HydrophobicContact CG1-CG2 4.12Å; V128-F138 HydrophobicContact CG1-CD1 4.3Å; V128-I139 VanDerWaalsContact O-CA 3.31Å; V128-I139 WeakPolarHBondContact O-CA 3.04Å; V128-I139 WeakPolarHBondContact O-CG2 3.45Å; V128-C140 HydrophobicContact CB-CB 3.79Å; V128-C140 HydrophobicContact CG2-CB 4.15Å; V128-C140 PolarHBondContact N-O 3.07Å; V128-C140 VanDerWaalsContact N-O 3.1Å; V128-C140 PolarHBondContact O-N 2.95Å; V128-R169 WeakPolarHBondContact CG2-O 3.16Å; V128-A180 HydrophobicContact CB-CB 4.33Å; V128-A180 HydrophobicContact CG1-CB 3.59Å; V128-A180 HydrophobicContact CG2-CB 3.8Å |
| 129 | L | 96.8 | Very high | 93.5 | Very high | 11 Ų | 11 | 44.2 Ų | 44.2 | 6% | 0.058 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | 102 | 169.2 | -167.5 | 164.2 | 0 | 0 | 0 | 106.6 | L65 T67 I69 F74 A76 V81 V137 F138 I139 | L65-L129 HydrophobicContact CD1-CB 3.83Å; L65-L129 HydrophobicContact CD1-CD1 4.44Å; T67-L129 HydrophobicContact CG2-CD2 3.67Å; I69-L129 HydrophobicContact CD1-CD2 4.13Å; F74-L129 HydrophobicContact CB-CD1 3.98Å; F74-L129 HydrophobicContact CB-CD2 4.28Å; F74-L129 HydrophobicContact CD1-CD1 4.05Å; F74-L129 HydrophobicContact CD1-CD2 4.21Å; F74-L129 HydrophobicContact CG-CD1 4.43Å; F74-L129 HydrophobicContact CG-CD2 4.34Å; A76-L129 HydrophobicContact CB-CD1 4.41Å; V81-L129 HydrophobicContact CG1-CD1 3.62Å; V81-L129 HydrophobicContact CG2-CD1 4.34Å; L129-V137 HydrophobicContact CD2-CG2 3.5Å; L129-V137 VanDerWaalsContact CD2-CG2 3.5Å; L129-V137 HydrophobicContact CG-CG2 3.94Å; L129-F138 WeakPolarHBondContact CA-O 3.48Å; L129-I139 HydrophobicContact CD1-CD1 4.36Å; L129-I139 HydrophobicContact CG-CD1 4.27Å; L129-I139 HydrophobicContact CG-CG1 4.18Å |
| 130 | V | 94.3 | Very high | 93.9 | Very high | 18 Ų | 18 | 34.7 Ų | 34.7 | 11% | 0.109 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 134.8 | -177.4 | -66.2 | 0 | 0 | 0 | 0 | 110.6 | V128 V137 F138 A180 F182 L190 | V128-V130 HydrophobicContact CG1-CG1 4.33Å; V128-V130 HydrophobicContact CG1-CG2 4.12Å; V130-V137 WeakPolarHBondContact O-CG2 3.42Å; V130-F138 HydrophobicContact CG2-CB 4.07Å; V130-F138 HydrophobicContact CG2-CD1 4Å; V130-F138 PolarHBondContact N-O 2.03Å; V130-F138 PolarHBondContact O-N 2.75Å; V130-A180 HydrophobicContact CG1-CB 4.32Å; V130-A180 WeakPolarHBondContact CG1-O 3.4Å; V130-F182 HydrophobicContact CG2-CD2 3.78Å; V130-F182 HydrophobicContact CG2-CE2 3.92Å; V130-L190 HydrophobicContact CG2-CD1 4.39Å |
| 131 | P | 91.9 | Very high | 94.4 | Very high | 65 Ų | 65 | 28.5 Ų | 28.5 | 42% | 0.422 | 15% | 0.147 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.5 | 138.6 | 173.8 | 27.9 | -33.8 | 0 | 0 | 0 | 109.8 | I69 F182 | I69-P131 HydrophobicContact CD1-CB 4.35Å; P131-F182 WeakPolarHBondContact O-CD2 3.33Å |
| 132 | R | 87.7 | Confident | 94.6 | Very high | 76 Ų | 76 | 27 Ų | 27 | 29% | 0.287 | 14% | 0.14 | S | C | . | . | trans | -96 | -42.2 | 176.8 | 167.6 | 60.7 | -169 | -164.4 | 4.6 | 111 | L136 Y151 F182 G188 | R132-L136 HydrophobicContact CB-CB 4.08Å; R132-L136 WeakPolarHBondContact CB-O 3.46Å; R132-L136 HydrophobicContact CG-CB 4.36Å; R132-L136 PolarHBondContact N-O 3.46Å; R132-Y151 HydrophobicContact CB-CD1 4.39Å; R132-Y151 HydrophobicContact CB-CE1 3.99Å; R132-Y151 HydrophobicContact CG-CD1 4.44Å; R132-Y151 HydrophobicContact CG-CE1 3.82Å; R132-F182 HydrophobicContact CB-CD2 4.44Å; R132-F182 HydrophobicContact CB-CE2 4.14Å; R132-G188 PolarHBondContact NH1-O 2.94Å | ||
| 133 | N | 86.9 | Confident | 94.7 | Very high | 60 Ų | 60 | 27 Ų | 27 | 32% | 0.321 | 14% | 0.14 | S | C | . | . | S | Bend | trans | -160.4 | -167.4 | 174.3 | 62.5 | -8.5 | 0 | 0 | 0 | 106.7 | D135 L136 | N133-D135 VanDerWaalsContact C-N 3.26Å; N133-D135 PolarHBondContact O-N 3.12Å; N133-D135 PolarHBondContact OD1-N 2.7Å; N133-L136 PolarHBondContact N-O 3.38Å; N133-L136 VanDerWaalsContact OD1-CB 3.3Å; N133-L136 WeakPolarHBondContact OD1-CB 3.47Å; N133-L136 PolarHBondContact OD1-N 2.97Å |
| 134 | D | 87.3 | Confident | 94.7 | Very high | 116 Ų | 116 | 25.1 Ų | 25.1 | 62% | 0.62 | 13% | 0.131 | S | C | * | . | S | Bend | trans | -70 | -19 | -178 | -56.5 | -65.9 | 0 | 0 | 0 | 114.3 | L154 | D134-L154 WeakPolarHBondContact O-CD1 3.46Š|
| 135 | D | 89.8 | Confident | 94.7 | Very high | 105 Ų | 105 | 25.3 Ų | 25.3 | 56% | 0.561 | 13% | 0.132 | S | C | * | . | S | Bend | trans | -100 | -30.4 | -178.2 | -61.7 | -50.9 | 0 | 0 | 0 | 114.1 | N133 R153 L154 | N133-D135 VanDerWaalsContact C-N 3.26Å; N133-D135 PolarHBondContact O-N 3.12Å; N133-D135 PolarHBondContact OD1-N 2.7Å; D135-R153 CarbonylContact O-C 3.45Å; D135-R153 WeakPolarHBondContact O-CA 3.41Å; D135-L154 PolarHBondContact O-N 2.7Å |
| 136 | L | 92.4 | Very high | 94.6 | Very high | 29 Ų | 29 | 27.8 Ų | 27.8 | 15% | 0.152 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 142.1 | -168.8 | -62.4 | 175.3 | 0 | 0 | 0 | 113 | R132 N133 Y152 R153 D160 | R132-L136 HydrophobicContact CB-CB 4.08Å; R132-L136 WeakPolarHBondContact CB-O 3.46Å; R132-L136 HydrophobicContact CG-CB 4.36Å; R132-L136 PolarHBondContact N-O 3.46Å; N133-L136 PolarHBondContact N-O 3.38Å; N133-L136 VanDerWaalsContact OD1-CB 3.3Å; N133-L136 WeakPolarHBondContact OD1-CB 3.47Å; N133-L136 PolarHBondContact OD1-N 2.97Å; L136-Y152 WeakPolarHBondContact CA-O 3.48Å; L136-R153 HydrophobicContact CD2-CG 3.84Å; L136-D160 HydrophobicContact CD2-CB 4.05Å |
| 137 | V | 94.2 | Very high | 94.6 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 136.5 | 168.5 | 62 | 0 | 0 | 0 | 0 | 110 | I69 L129 V130 I139 Y152 L154 | I69-V137 HydrophobicContact CD1-CG2 4.41Å; L129-V137 HydrophobicContact CD2-CG2 3.5Å; L129-V137 VanDerWaalsContact CD2-CG2 3.5Å; L129-V137 HydrophobicContact CG-CG2 3.94Å; V130-V137 WeakPolarHBondContact O-CG2 3.42Å; V137-I139 HydrophobicContact CG1-CD1 4.01Å; V137-I139 HydrophobicContact CG1-CG1 4.16Å; V137-I139 HydrophobicContact CG2-CD1 4.46Å; V137-I139 HydrophobicContact CG2-CG1 4.07Å; V137-Y152 WeakPolarHBondContact CG1-O 3.43Å; V137-Y152 PolarHBondContact N-O 3.39Å; V137-Y152 PolarHBondContact O-N 2.84Å; V137-L154 HydrophobicContact CB-CD2 3.81Å; V137-L154 HydrophobicContact CB-CG 4.08Å; V137-L154 HydrophobicContact CG1-CD2 4.04Å; V137-L154 HydrophobicContact CG1-CG 4.32Å |
| 138 | F | 95.4 | Very high | 94.5 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 122.2 | 176.5 | -178.6 | -111.4 | 0 | 0 | 0 | 109.6 | V128 L129 V130 C140 C149 Y151 I164 F182 L190 M209 | V128-F138 HydrophobicContact CG1-CD1 4.3Å; L129-F138 WeakPolarHBondContact CA-O 3.48Å; V130-F138 HydrophobicContact CG2-CB 4.07Å; V130-F138 HydrophobicContact CG2-CD1 4Å; V130-F138 PolarHBondContact N-O 2.03Å; V130-F138 PolarHBondContact O-N 2.75Å; F138-C140 WeakPolarHBondContact CE1-SG 3.31Å; F138-C140 VanDerWaalsContact CZ-SG 3.59Å; F138-C149 HydrophobicContact CE1-CB 4.28Å; F138-C149 HydrophobicContact CE2-CB 3.61Å; F138-C149 HydrophobicContact CZ-CB 3.37Å; F138-C149 VanDerWaalsContact CZ-SG 3.57Å; F138-Y151 HydrophobicContact CB-CD1 3.92Å; F138-Y151 HydrophobicContact CB-CE1 3.74Å; F138-Y151 AromaticContact CD2-CD1 3.81Å; F138-Y151 HydrophobicContact CD2-CD1 3.81Å; F138-Y151 HydrophobicContact CD2-CD2 4.31Å; F138-Y151 AromaticContact CD2-CE1 3.55Å; F138-Y151 HydrophobicContact CD2-CE1 3.55Å; F138-Y151 HydrophobicContact CD2-CE2 4.07Å; F138-Y151 HydrophobicContact CD2-CG 4.19Å; F138-Y151 AromaticContact CD2-CZ 3.69Å; F138-Y151 HydrophobicContact CE2-CE2 4.36Å; F138-Y151 HydrophobicContact CG-CD1 4.35Å; F138-Y151 AromaticContact CG-CE1 3.99Å; F138-Y151 HydrophobicContact CG-CE1 3.99Å; F138-I164 HydrophobicContact CE2-CD1 4.15Å; F138-F182 HydrophobicContact CB-CE2 3.69Å; F138-F182 HydrophobicContact CB-CZ 4.34Å; F138-F182 HydrophobicContact CD1-CE2 4.12Å; F138-F182 HydrophobicContact CD1-CZ 4.33Å; F138-F182 HydrophobicContact CG-CE2 4.03Å; F138-F182 HydrophobicContact CG-CZ 4.27Å; F138-L190 HydrophobicContact CD1-CD1 4.23Å; F138-L190 HydrophobicContact CD1-CD2 4.34Å; F138-L190 HydrophobicContact CE1-CD1 4.19Å; F138-L190 HydrophobicContact CE1-CD2 3.53Å; F138-L190 HydrophobicContact CZ-CD2 4.06Å; F138-M209 HydrophobicContact CE1-CE 4.24Å; F138-M209 HydrophobicContact CE2-CE 3.59Å; F138-M209 HydrophobicContact CE2-SD 4.43Å; F138-M209 HydrophobicContact CZ-CE 3.38Å; F138-M209 HydrophobicContact CZ-SD 4.35Å |
| 139 | I | 97.5 | Very high | 94.5 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 131.1 | -172.6 | -50.4 | -169.5 | 0 | 0 | 0 | 109.3 | L100 W102 I126 V128 L129 V137 C149 R150 Y152 | L100-I139 HydrophobicContact CD2-CD1 3.92Å; W102-I139 HydrophobicContact CE3-CG2 4.43Å; W102-I139 HydrophobicContact CZ3-CB 4.46Å; W102-I139 HydrophobicContact CZ3-CG2 4.12Å; I126-I139 HydrophobicContact CD1-CG2 4.35Å; I126-I139 HydrophobicContact CG2-CG2 3.53Å; V128-I139 VanDerWaalsContact O-CA 3.31Å; V128-I139 WeakPolarHBondContact O-CA 3.04Å; V128-I139 WeakPolarHBondContact O-CG2 3.45Å; L129-I139 HydrophobicContact CD1-CD1 4.36Å; L129-I139 HydrophobicContact CG-CD1 4.27Å; L129-I139 HydrophobicContact CG-CG1 4.18Å; V137-I139 HydrophobicContact CG1-CD1 4.01Å; V137-I139 HydrophobicContact CG1-CG1 4.16Å; V137-I139 HydrophobicContact CG2-CD1 4.46Å; V137-I139 HydrophobicContact CG2-CG1 4.07Å; I139-C149 CarbonylContact O-C 3.57Å; I139-C149 VanDerWaalsContact O-CA 3.3Å; I139-C149 WeakPolarHBondContact O-CA 3.31Å; I139-R150 PolarHBondContact N-O 2.87Å; I139-R150 PolarHBondContact O-N 3.15Å; I139-Y152 HydrophobicContact CB-CD2 4.01Å; I139-Y152 HydrophobicContact CB-CE2 4.2Å; I139-Y152 HydrophobicContact CD1-CD2 3.7Å; I139-Y152 HydrophobicContact CD1-CE2 4.32Å; I139-Y152 HydrophobicContact CD1-CG 4.32Å; I139-Y152 HydrophobicContact CG1-CD2 3.88Å |
| 140 | C | 98.1 | Very high | 94.5 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 151.3 | 171 | -45.2 | 0 | 0 | 0 | 0 | 111.9 | K127 V128 F138 M148 C149 C170 | K127-C140 PolarHBondContact N-O 2.86Å; V128-C140 HydrophobicContact CB-CB 3.79Å; V128-C140 HydrophobicContact CG2-CB 4.15Å; V128-C140 PolarHBondContact N-O 3.07Å; V128-C140 VanDerWaalsContact N-O 3.1Å; V128-C140 PolarHBondContact O-N 2.95Å; F138-C140 WeakPolarHBondContact CE1-SG 3.31Å; F138-C140 VanDerWaalsContact CZ-SG 3.59Å; C140-M148 CarbonylContact C-O 3.53Å; C140-M148 WeakPolarHBondContact CA-O 3.3Å; C140-M148 VanDerWaalsContact CB-O 3.29Å; C140-M148 WeakPolarHBondContact CB-O 3.48Å; C140-C149 HydrophobicContact CB-CB 3.96Å; C140-C149 WeakPolarHBondContact CB-SG 3.29Å; C140-C149 WeakPolarHBondContact SG-CB 3.22Å; C140-C149 CovalentContact SG-SG 2.03Å; C140-C149 PolarHBondContact SG-SG 2.95Å; C140-C170 HydrophobicContact CB-CB 3.6Å |
| 141 | G | 98.1 | Very high | 94.6 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 166.3 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | N124 F125 N143 P147 M148 | N124-G141 VanDerWaalsContact OD1-CA 3.24Å; N124-G141 WeakPolarHBondContact OD1-CA 3.04Å; F125-G141 CarbonylContact O-C 3.57Å; F125-G141 WeakPolarHBondContact O-CA 3.2Å; G141-N143 PolarHBondContact O-N 3.08Å; G141-P147 WeakPolarHBondContact O-CA 3.29Å; G141-M148 PolarHBondContact N-O 3.42Å; G141-M148 PolarHBondContact O-N 2.76Å; G141-M148 VanDerWaalsContact O-N 3.08Å |
| 142 | T | 97.7 | Very high | 94.7 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 14% | 0.138 | C | C | . | . | trans | -62.5 | -23.3 | -175.6 | 58.8 | 0 | 0 | 0 | 0 | 113.5 | H123 N124 F125 K127 G144 F145 N146 F172 | H123-T142 PolarHBondContact O-OG1 2.83Å; N124-T142 PolarHBondContact OD1-N 2.8Å; F125-T142 HydrophobicContact CB-CG2 4.09Å; F125-T142 PolarHBondContact N-OG1 2.99Å; F125-T142 PolarHBondContact O-N 3.01Å; K127-T142 HydrophobicContact CG-CG2 3.95Å; T142-G144 VanDerWaalsContact C-N 3.26Å; T142-G144 PolarHBondContact O-N 2.91Å; T142-G144 VanDerWaalsContact O-N 3.12Å; T142-F145 PolarHBondContact O-N 2.92Å; T142-N146 CarbonylContact O-C 3.53Å; T142-N146 PolarHBondContact O-N 3.09Å; T142-F172 WeakPolarHBondContact CB-O 2.94Å | ||
| 143 | N | 97.3 | Very high | 95 | Very high | 2 Ų | 2 | 29.2 Ų | 29.2 | 1% | 0.011 | 14% | 0.141 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 39.5 | 49.5 | -178.2 | -174.7 | 61.9 | 0 | 0 | 0 | 113.6 | S104 D108 N124 G141 N146 M148 | S104-N143 VanDerWaalsContact CA-OD1 3.23Å; S104-N143 WeakPolarHBondContact CA-OD1 3.43Å; S104-N143 WeakPolarHBondContact CB-OD1 3.17Å; D108-N143 VanDerWaalsContact CG-ND2 3.31Å; D108-N143 PolarHBondContact OD2-ND2 3.42Å; N124-N143 WeakPolarHBondContact OD1-CA 3.47Å; N124-N143 PolarHBondContact OD1-N 2.96Å; G141-N143 PolarHBondContact O-N 3.08Å; N143-N146 WeakPolarHBondContact CB-O 3.45Å; N143-N146 PolarHBondContact ND2-O 2.93Å; N143-N146 PolarHBondContact O-N 3.38Å; N143-M148 HydrophobicContact CB-CB 4.37Å; N143-M148 HydrophobicContact CB-CG 4.18Å |
| 144 | G | 95.3 | Very high | 95.2 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 13% | 0.132 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 62.4 | 51.9 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | S104 C112 H123 T142 N146 | S104-G144 PolarHBondContact OG-N 2.8Å; C112-G144 WeakPolarHBondContact CB-O 3.22Å; H123-G144 PolarHBondContact O-N 2.78Å; T142-G144 VanDerWaalsContact C-N 3.26Å; T142-G144 PolarHBondContact O-N 2.91Å; T142-G144 VanDerWaalsContact O-N 3.12Å; G144-N146 VanDerWaalsContact C-N 3.25Å; G144-N146 PolarHBondContact O-N 2.91Å |
| 145 | F | 95.9 | Very high | 95.2 | Very high | 4 Ų | 4 | 27.1 Ų | 27.1 | 2% | 0.018 | 13% | 0.13 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 57 | 37.2 | -176.7 | -64 | -105.2 | 0 | 0 | 0 | 113.4 | C112 K117 E121 T142 F172 D173 F198 | C112-F145 VanDerWaalsContact SG-CD2 3.52Å; K117-F145 HydrophobicContact CB-CD2 4.49Å; K117-F145 HydrophobicContact CB-CE2 4.29Å; K117-F145 HydrophobicContact CD-CD1 4.37Å; K117-F145 HydrophobicContact CD-CD2 4.49Å; K117-F145 HydrophobicContact CD-CE1 3.77Å; K117-F145 HydrophobicContact CD-CE2 3.87Å; K117-F145 HydrophobicContact CD-CZ 3.48Å; K117-F145 VanDerWaalsContact CD-CZ 3.48Å; K117-F145 VanDerWaalsContact CE-CZ 3.46Å; K117-F145 HydrophobicContact CG-CD1 4.32Å; K117-F145 HydrophobicContact CG-CD2 4.13Å; K117-F145 HydrophobicContact CG-CE1 4.2Å; K117-F145 HydrophobicContact CG-CE2 3.96Å; K117-F145 HydrophobicContact CG-CG 4.33Å; K117-F145 HydrophobicContact CG-CZ 4.01Å; E121-F145 HydrophobicContact CB-CE2 3.82Å; E121-F145 HydrophobicContact CB-CZ 4.28Å; E121-F145 WeakPolarHBondContact O-CE2 3.06Å; T142-F145 PolarHBondContact O-N 2.92Å; F145-F172 HydrophobicContact CB-CD1 4.39Å; F145-F172 HydrophobicContact CD1-CB 3.83Å; F145-F172 WeakPolarHBondContact CD1-O 3.35Å; F145-F172 HydrophobicContact CE1-CB 4.46Å; F145-F172 WeakPolarHBondContact O-CD1 3.19Å; F145-D173 HydrophobicContact CE1-CB 3.65Å; F145-D173 WeakPolarHBondContact CE1-OD2 3.49Å; F145-D173 HydrophobicContact CZ-CB 3.95Å; F145-D173 VanDerWaalsContact CZ-OD2 3.27Å; F145-D173 WeakPolarHBondContact CZ-OD2 3.22Å; F145-F198 HydrophobicContact CB-CD2 3.91Å; F145-F198 HydrophobicContact CB-CE2 3.63Å; F145-F198 HydrophobicContact CD1-CD2 4.05Å; F145-F198 AromaticContact CD1-CE2 3.67Å; F145-F198 HydrophobicContact CD1-CE2 3.67Å; F145-F198 HydrophobicContact CG-CD2 4.4Å; F145-F198 AromaticContact CG-CE2 3.9Å; F145-F198 HydrophobicContact CG-CE2 3.9Å |
| 146 | N | 96.3 | Very high | 95.2 | Very high | 71 Ų | 71 | 23.6 Ų | 23.6 | 38% | 0.38 | 11% | 0.111 | S | C | . | . | S | Bend | trans | -141.7 | 69.4 | 171.3 | -175.8 | 24.5 | 0 | 0 | 0 | 109.3 | D108 T142 N143 G144 M148 | D108-N146 PolarHBondContact OD1-ND2 3.2Å; T142-N146 CarbonylContact O-C 3.53Å; T142-N146 PolarHBondContact O-N 3.09Å; N143-N146 WeakPolarHBondContact CB-O 3.45Å; N143-N146 PolarHBondContact ND2-O 2.93Å; N143-N146 PolarHBondContact O-N 3.38Å; G144-N146 VanDerWaalsContact C-N 3.25Å; G144-N146 PolarHBondContact O-N 2.91Å; N146-M148 VanDerWaalsContact O-CG 3.29Å; N146-M148 WeakPolarHBondContact O-CG 3.47Å; N146-M148 PolarHBondContact O-N 3.49Å |
| 147 | P | 97.4 | Very high | 95.1 | Very high | 3 Ų | 3 | 22.8 Ų | 22.8 | 2% | 0.019 | 11% | 0.107 | C | C | . | . | trans | -57.9 | 133.8 | -160.9 | -27.6 | 36.7 | 0 | 0 | 0 | 113.9 | G141 G166 C170 P171 F172 | G141-P147 WeakPolarHBondContact O-CA 3.29Å; P147-G166 WeakPolarHBondContact O-CA 3.46Å; P147-G166 PolarHBondContact O-N 2.83Å; P147-C170 HydrophobicContact CB-CB 4.08Å; P147-P171 WeakPolarHBondContact CG-O 3.39Å; P147-F172 HydrophobicContact CG-CB 4.34Å; P147-F172 HydrophobicContact CG-CD1 3.93Å; P147-F172 HydrophobicContact CG-CD2 3.93Å; P147-F172 HydrophobicContact CG-CE1 4.24Å; P147-F172 HydrophobicContact CG-CE2 4.24Å; P147-F172 HydrophobicContact CG-CG 3.78Å; P147-F172 HydrophobicContact CG-CZ 4.41Å | ||
| 148 | M | 97.3 | Very high | 95 | Very high | 32 Ų | 32 | 28.7 Ų | 28.7 | 16% | 0.158 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 157.2 | -179.5 | -59.2 | -147.7 | -58 | 0 | 0 | 111.6 | W102 C140 G141 N143 N146 E163 | W102-M148 HydrophobicContact CH2-CB 4.42Å; W102-M148 WeakPolarHBondContact CH2-O 3.38Å; W102-M148 HydrophobicContact CZ2-CB 3.98Å; C140-M148 CarbonylContact C-O 3.53Å; C140-M148 WeakPolarHBondContact CA-O 3.3Å; C140-M148 VanDerWaalsContact CB-O 3.29Å; C140-M148 WeakPolarHBondContact CB-O 3.48Å; G141-M148 PolarHBondContact N-O 3.42Å; G141-M148 PolarHBondContact O-N 2.76Å; G141-M148 VanDerWaalsContact O-N 3.08Å; N143-M148 HydrophobicContact CB-CB 4.37Å; N143-M148 HydrophobicContact CB-CG 4.18Å; N146-M148 VanDerWaalsContact O-CG 3.29Å; N146-M148 WeakPolarHBondContact O-CG 3.47Å; N146-M148 PolarHBondContact O-N 3.49Å; M148-E163 WeakPolarHBondContact CE-OE1 3.16Å |
| 149 | C | 97.6 | Very high | 94.9 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 151.2 | 179.5 | -62.9 | 0 | 0 | 0 | 0 | 110.8 | F138 I139 C140 I164 | F138-C149 HydrophobicContact CE1-CB 4.28Å; F138-C149 HydrophobicContact CE2-CB 3.61Å; F138-C149 HydrophobicContact CZ-CB 3.37Å; F138-C149 VanDerWaalsContact CZ-SG 3.57Å; I139-C149 CarbonylContact O-C 3.57Å; I139-C149 VanDerWaalsContact O-CA 3.3Å; I139-C149 WeakPolarHBondContact O-CA 3.31Å; C140-C149 HydrophobicContact CB-CB 3.96Å; C140-C149 WeakPolarHBondContact CB-SG 3.29Å; C140-C149 WeakPolarHBondContact SG-CB 3.22Å; C140-C149 CovalentContact SG-SG 2.03Å; C140-C149 PolarHBondContact SG-SG 2.95Å; C149-I164 WeakPolarHBondContact CA-O 3.4Å; C149-I164 HydrophobicContact CB-CB 4.08Å; C149-I164 HydrophobicContact CB-CG2 4.28Å; C149-I164 WeakPolarHBondContact CB-O 3.44Å; C149-I164 PolarHBondContact N-O 3.15Å; C149-I164 PolarHBondContact O-N 2.97Å |
| 150 | R | 96.4 | Very high | 94.6 | Very high | 50 Ų | 50 | 35.1 Ų | 35.1 | 19% | 0.189 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 153 | 178.7 | -68.8 | 178.4 | 179.2 | -174.4 | -2 | 109.9 | W102 I139 Y152 F159 E163 | W102-R150 HydrophobicContact CH2-CB 4.29Å; W102-R150 HydrophobicContact CH2-CG 3.89Å; W102-R150 HydrophobicContact CZ2-CG 3.91Å; W102-R150 HydrophobicContact CZ3-CB 4.47Å; W102-R150 HydrophobicContact CZ3-CG 4.43Å; W102-R150 VanDerWaalsContact NE1-CZ 3.33Å; I139-R150 PolarHBondContact N-O 2.87Å; I139-R150 PolarHBondContact O-N 3.15Å; R150-Y152 HydrophobicContact CB-CD2 4.15Å; R150-Y152 HydrophobicContact CB-CE2 3.6Å; R150-Y152 WeakPolarHBondContact CD-OH 3.38Å; R150-Y152 HydrophobicContact CG-CE2 4.46Å; R150-Y152 PolarHBondContact NH1-OH 3.06Å; R150-Y152 VanDerWaalsContact NH1-OH 3.09Å; R150-F159 HydrophobicContact CB-CD2 3.89Å; R150-F159 HydrophobicContact CB-CE2 3.73Å; R150-F159 HydrophobicContact CG-CD2 4.01Å; R150-F159 HydrophobicContact CG-CE2 3.59Å; R150-F159 HydrophobicContact CG-CZ 4.44Å; R150-E163 HydrophobicContact CG-CG 4.4Å; R150-E163 IonicContact CZ-OE1 3.43Å; R150-E163 IonicContact NE-OE1 2.7Å; R150-E163 PolarHBondContact NE-OE1 3.38Å; R150-E163 IonicContact NH2-OE1 2.8Å; R150-E163 PolarHBondContact NH2-OE1 2.99Å |
| 151 | Y | 95.3 | Very high | 94.2 | Very high | 39 Ų | 39 | 38 Ų | 38 | 15% | 0.153 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 145.4 | 161.8 | -69.2 | -78.8 | 0 | 0 | 0 | 110 | R132 F138 F159 D160 I164 F182 M209 | R132-Y151 HydrophobicContact CB-CD1 4.39Å; R132-Y151 HydrophobicContact CB-CE1 3.99Å; R132-Y151 HydrophobicContact CG-CD1 4.44Å; R132-Y151 HydrophobicContact CG-CE1 3.82Å; F138-Y151 HydrophobicContact CB-CD1 3.92Å; F138-Y151 HydrophobicContact CB-CE1 3.74Å; F138-Y151 AromaticContact CD2-CD1 3.81Å; F138-Y151 HydrophobicContact CD2-CD1 3.81Å; F138-Y151 HydrophobicContact CD2-CD2 4.31Å; F138-Y151 AromaticContact CD2-CE1 3.55Å; F138-Y151 HydrophobicContact CD2-CE1 3.55Å; F138-Y151 HydrophobicContact CD2-CE2 4.07Å; F138-Y151 HydrophobicContact CD2-CG 4.19Å; F138-Y151 AromaticContact CD2-CZ 3.69Å; F138-Y151 HydrophobicContact CE2-CE2 4.36Å; F138-Y151 HydrophobicContact CG-CD1 4.35Å; F138-Y151 AromaticContact CG-CE1 3.99Å; F138-Y151 HydrophobicContact CG-CE1 3.99Å; Y151-F159 WeakPolarHBondContact O-CD2 3.49Å; Y151-D160 PolarHBondContact O-N 2.93Å; Y151-I164 HydrophobicContact CD2-CD1 3.92Å; Y151-I164 HydrophobicContact CE2-CD1 3.54Å; Y151-F182 HydrophobicContact CE1-CZ 4.41Å; Y151-M209 PolarHBondContact OH-SD 2.9Å; Y151-M209 VanDerWaalsContact OH-SD 3.36Å |
| 152 | Y | 95.7 | Very high | 93.7 | Very high | 6 Ų | 6 | 45.8 Ų | 45.8 | 2% | 0.024 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 150.4 | 173.4 | -70.5 | -86.8 | 0 | 0 | 0 | 109.3 | L100 W102 L136 V137 I139 R150 L157 E158 F159 | L100-Y152 HydrophobicContact CD1-CD1 4.06Å; L100-Y152 HydrophobicContact CD1-CE1 3.46Å; L100-Y152 VanDerWaalsContact CD1-CE1 3.46Å; L100-Y152 HydrophobicContact CD2-CD1 4.07Å; L100-Y152 HydrophobicContact CD2-CD2 4.03Å; L100-Y152 HydrophobicContact CD2-CE1 3.86Å; L100-Y152 HydrophobicContact CD2-CE2 3.78Å; L100-Y152 HydrophobicContact CD2-CG 4.15Å; L100-Y152 HydrophobicContact CG-CE1 4.32Å; W102-Y152 HydrophobicContact CE3-CE2 4.19Å; W102-Y152 HydrophobicContact CZ3-CE2 4.4Å; L136-Y152 WeakPolarHBondContact CA-O 3.48Å; V137-Y152 WeakPolarHBondContact CG1-O 3.43Å; V137-Y152 PolarHBondContact N-O 3.39Å; V137-Y152 PolarHBondContact O-N 2.84Å; I139-Y152 HydrophobicContact CB-CD2 4.01Å; I139-Y152 HydrophobicContact CB-CE2 4.2Å; I139-Y152 HydrophobicContact CD1-CD2 3.7Å; I139-Y152 HydrophobicContact CD1-CE2 4.32Å; I139-Y152 HydrophobicContact CD1-CG 4.32Å; I139-Y152 HydrophobicContact CG1-CD2 3.88Å; R150-Y152 HydrophobicContact CB-CD2 4.15Å; R150-Y152 HydrophobicContact CB-CE2 3.6Å; R150-Y152 WeakPolarHBondContact CD-OH 3.38Å; R150-Y152 HydrophobicContact CG-CE2 4.46Å; R150-Y152 PolarHBondContact NH1-OH 3.06Å; R150-Y152 VanDerWaalsContact NH1-OH 3.09Å; Y152-L157 WeakPolarHBondContact CD1-O 3.47Å; Y152-E158 VanDerWaalsContact CA-O 3.25Å; Y152-E158 WeakPolarHBondContact CA-O 3.47Å; Y152-F159 HydrophobicContact CD1-CB 4.14Å; Y152-F159 HydrophobicContact CE1-CB 3.82Å |
| 153 | R | 94.1 | Very high | 93.4 | Very high | 97 Ų | 97 | 50.2 Ų | 50.2 | 37% | 0.366 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 139.6 | 175.3 | -62.3 | 177.1 | 168 | -86.5 | -16.7 | 111.4 | D135 L136 D155 N156 L157 E158 D160 | D135-R153 CarbonylContact O-C 3.45Å; D135-R153 WeakPolarHBondContact O-CA 3.41Å; L136-R153 HydrophobicContact CD2-CG 3.84Å; R153-D155 WeakPolarHBondContact CB-OD1 3.46Å; R153-N156 WeakPolarHBondContact CB-OD1 3.12Å; R153-L157 VanDerWaalsContact O-CA 3.26Å; R153-L157 WeakPolarHBondContact O-CA 3.43Å; R153-L157 PolarHBondContact O-N 3.29Å; R153-E158 PolarHBondContact N-O 2.92Å; R153-D160 HydrophobicContact CG-CB 4.32Å; R153-D160 IonicContact CZ-OD1 3.4Å; R153-D160 IonicContact NE-OD1 2.69Å; R153-D160 PolarHBondContact NE-OD1 3.42Å; R153-D160 IonicContact NH2-OD1 3.52Å; R153-D160 PolarHBondContact NH2-OD1 3.23Å; R153-D160 IonicContact NH2-OD2 2.74Å |
| 154 | L | 90.7 | Very high | 93.3 | Very high | 24 Ų | 24 | 52.2 Ų | 52.2 | 13% | 0.126 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | -28.8 | -174.7 | -84.5 | 166.7 | 0 | 0 | 0 | 113.5 | I69 F74 D134 D135 V137 | I69-L154 HydrophobicContact CD1-CD2 3.86Å; I69-L154 HydrophobicContact CG2-CD1 4.39Å; I69-L154 HydrophobicContact CG2-CD2 4.11Å; F74-L154 HydrophobicContact CE1-CD2 4.22Å; F74-L154 HydrophobicContact CE2-CD2 4.37Å; F74-L154 HydrophobicContact CZ-CD2 3.64Å; D134-L154 WeakPolarHBondContact O-CD1 3.46Å; D135-L154 PolarHBondContact O-N 2.7Å; V137-L154 HydrophobicContact CB-CD2 3.81Å; V137-L154 HydrophobicContact CB-CG 4.08Å; V137-L154 HydrophobicContact CG1-CD2 4.04Å; V137-L154 HydrophobicContact CG1-CG 4.32Å |
| 155 | D | 86.4 | Confident | 93.3 | Very high | 107 Ų | 107 | 56.6 Ų | 56.6 | 57% | 0.572 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.9 | -41.6 | -179.9 | 71.2 | -46.5 | 0 | 0 | 0 | 112.6 | R98 R153 | R98-D155 VanDerWaalsContact CZ-O 3.31Å; R98-D155 PolarHBondContact NE-O 3.27Å; R98-D155 PolarHBondContact NH2-O 3.48Å; R153-D155 WeakPolarHBondContact CB-OD1 3.46Å |
| 156 | N | 89.1 | Confident | 93.3 | Very high | 32 Ų | 32 | 56.4 Ų | 56.4 | 17% | 0.171 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -121.9 | -16.7 | -166.7 | 77.1 | 10.9 | 0 | 0 | 0 | 116 | R98 R153 E158 | R98-N156 WeakPolarHBondContact CD-O 3.43Å; R98-N156 VanDerWaalsContact CZ-CA 3.48Å; R98-N156 PolarHBondContact NH1-O 2.91Å; R153-N156 WeakPolarHBondContact CB-OD1 3.12Å; N156-E158 HydrophobicContact CB-CG 4.44Å; N156-E158 PolarHBondContact ND2-OE2 3.13Å; N156-E158 PolarHBondContact O-N 2.94Å; N156-E158 WeakPolarHBondContact OD1-CB 3.33Å; N156-E158 WeakPolarHBondContact OD1-CG 3.02Å; N156-E158 PolarHBondContact OD1-N 3.45Å |
| 157 | L | 91.6 | Very high | 93.4 | Very high | 12 Ų | 12 | 56.3 Ų | 56.3 | 6% | 0.063 | 28% | 0.283 | C | S | . | . | trans | 60 | 24.3 | -172.6 | -51.4 | 175.5 | 0 | 0 | 0 | 115 | F74 L83 R98 L100 Y152 R153 | F74-L157 HydrophobicContact CE1-CD2 4.09Å; L83-L157 HydrophobicContact CD1-CD1 3.54Å; L83-L157 HydrophobicContact CD1-CD2 4.2Å; L83-L157 HydrophobicContact CD1-CG 4.42Å; L83-L157 HydrophobicContact CD2-CD1 3.88Å; L83-L157 HydrophobicContact CD2-CD2 4.11Å; L83-L157 HydrophobicContact CD2-CG 4.16Å; L83-L157 HydrophobicContact CG-CD1 4.32Å; R98-L157 HydrophobicContact CB-CD1 4.48Å; R98-L157 HydrophobicContact CG-CD1 3.9Å; L100-L157 HydrophobicContact CB-CB 4.33Å; L100-L157 HydrophobicContact CB-CD1 3.94Å; Y152-L157 WeakPolarHBondContact CD1-O 3.47Å; R153-L157 VanDerWaalsContact O-CA 3.26Å; R153-L157 WeakPolarHBondContact O-CA 3.43Å; R153-L157 PolarHBondContact O-N 3.29Å | ||
| 158 | E | 92.8 | Very high | 93.3 | Very high | 123 Ų | 123 | 56.6 Ų | 56.6 | 58% | 0.575 | 29% | 0.286 | S | S | * | . | trans | -74 | 147.6 | 167.1 | -66.2 | 172.5 | 175.4 | 0 | 0 | 110.1 | Y152 R153 N156 | Y152-E158 VanDerWaalsContact CA-O 3.25Å; Y152-E158 WeakPolarHBondContact CA-O 3.47Å; R153-E158 PolarHBondContact N-O 2.92Å; N156-E158 HydrophobicContact CB-CG 4.44Å; N156-E158 PolarHBondContact ND2-OE2 3.13Å; N156-E158 PolarHBondContact O-N 2.94Å; N156-E158 WeakPolarHBondContact OD1-CB 3.33Å; N156-E158 WeakPolarHBondContact OD1-CG 3.02Å; N156-E158 PolarHBondContact OD1-N 3.45Å | ||
| 159 | F | 93.3 | Very high | 93.3 | Very high | 90 Ų | 90 | 56.7 Ų | 56.7 | 40% | 0.395 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 130.9 | -179 | 168.6 | -123.6 | 0 | 0 | 0 | 110.2 | R150 Y151 Y152 G161 E163 | R150-F159 HydrophobicContact CB-CD2 3.89Å; R150-F159 HydrophobicContact CB-CE2 3.73Å; R150-F159 HydrophobicContact CG-CD2 4.01Å; R150-F159 HydrophobicContact CG-CE2 3.59Å; R150-F159 HydrophobicContact CG-CZ 4.44Å; Y151-F159 WeakPolarHBondContact O-CD2 3.49Å; Y152-F159 HydrophobicContact CD1-CB 4.14Å; Y152-F159 HydrophobicContact CE1-CB 3.82Å; F159-G161 WeakPolarHBondContact CE1-O 3.36Å; F159-G161 VanDerWaalsContact CZ-O 3.23Å; F159-G161 WeakPolarHBondContact CZ-O 3.46Å; F159-E163 HydrophobicContact CZ-CG 4.16Å |
| 160 | D | 91.1 | Very high | 93.3 | Very high | 45 Ų | 45 | 56.7 Ų | 56.7 | 24% | 0.241 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 118.2 | -174.8 | -157.5 | 76.2 | 0 | 0 | 0 | 110.1 | L136 Y151 R153 | L136-D160 HydrophobicContact CD2-CB 4.05Å; Y151-D160 PolarHBondContact O-N 2.93Å; R153-D160 HydrophobicContact CG-CB 4.32Å; R153-D160 IonicContact CZ-OD1 3.4Å; R153-D160 IonicContact NE-OD1 2.69Å; R153-D160 PolarHBondContact NE-OD1 3.42Å; R153-D160 IonicContact NH2-OD1 3.52Å; R153-D160 PolarHBondContact NH2-OD1 3.23Å; R153-D160 IonicContact NH2-OD2 2.74Å |
| 161 | G | 88.1 | Confident | 93.3 | Very high | 60 Ų | 60 | 54.3 Ų | 54.3 | 62% | 0.619 | 28% | 0.276 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 86.1 | -137.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | F159 | F159-G161 WeakPolarHBondContact CE1-O 3.36Å; F159-G161 VanDerWaalsContact CZ-O 3.23Å; F159-G161 WeakPolarHBondContact CZ-O 3.46Å |
| 162 | E | 87.7 | Confident | 93.4 | Very high | 164 Ų | 164 | 53.2 Ų | 53.2 | 77% | 0.766 | 27% | 0.272 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 164.8 | -173.5 | -66.6 | -171.1 | 153.8 | 0 | 0 | 112.5 | ||
| 163 | E | 92.9 | Very high | 93.4 | Very high | 94 Ų | 94 | 53.8 Ų | 53.8 | 44% | 0.439 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 126.6 | 175.2 | -58.9 | -157 | 101.4 | 0 | 0 | 111.4 | M148 R150 F159 | M148-E163 WeakPolarHBondContact CE-OE1 3.16Å; R150-E163 HydrophobicContact CG-CG 4.4Å; R150-E163 IonicContact CZ-OE1 3.43Å; R150-E163 IonicContact NE-OE1 2.7Å; R150-E163 PolarHBondContact NE-OE1 3.38Å; R150-E163 IonicContact NH2-OE1 2.8Å; R150-E163 PolarHBondContact NH2-OE1 2.99Å; F159-E163 HydrophobicContact CZ-CG 4.16Å |
| 164 | I | 94.9 | Very high | 93.5 | Very high | 43 Ų | 43 | 50 Ų | 50 | 22% | 0.221 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 129.5 | -177.2 | -65.7 | 167.4 | 0 | 0 | 0 | 108.9 | F138 C149 Y151 G166 M209 | F138-I164 HydrophobicContact CE2-CD1 4.15Å; C149-I164 WeakPolarHBondContact CA-O 3.4Å; C149-I164 HydrophobicContact CB-CB 4.08Å; C149-I164 HydrophobicContact CB-CG2 4.28Å; C149-I164 WeakPolarHBondContact CB-O 3.44Å; C149-I164 PolarHBondContact N-O 3.15Å; C149-I164 PolarHBondContact O-N 2.97Å; Y151-I164 HydrophobicContact CD2-CD1 3.92Å; Y151-I164 HydrophobicContact CE2-CD1 3.54Å; I164-G166 PolarHBondContact O-N 2.84Å; I164-M209 HydrophobicContact CD1-CE 4.1Å; I164-M209 HydrophobicContact CG2-CE 3.8Å |
| 165 | N | 95.1 | Very high | 93.6 | Very high | 92 Ų | 92 | 56.3 Ų | 56.3 | 49% | 0.492 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -54 | 126.9 | 175.6 | -178 | -40 | 0 | 0 | 0 | 111.3 | L167 R169 | N165-L167 VanDerWaalsContact OD1-CB 3.22Å; N165-L167 WeakPolarHBondContact OD1-CB 3.3Å; N165-L167 WeakPolarHBondContact OD1-CG 3.41Å; N165-L167 PolarHBondContact OD1-N 3.25Å; N165-R169 PolarHBondContact O-NH1 2.83Å |
| 166 | G | 96.3 | Very high | 94 | Very high | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 27% | 0.273 | C | S | . | . | trans | -88.4 | -2.4 | -175.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | P147 I164 A168 R169 C170 | P147-G166 WeakPolarHBondContact O-CA 3.46Å; P147-G166 PolarHBondContact O-N 2.83Å; I164-G166 PolarHBondContact O-N 2.84Å; G166-A168 PolarHBondContact O-N 3.47Å; G166-R169 WeakPolarHBondContact O-CA 3.41Å; G166-R169 WeakPolarHBondContact O-CB 3.35Å; G166-R169 PolarHBondContact O-N 2.89Å; G166-C170 PolarHBondContact O-N 2.83Å | ||
| 167 | L | 96.7 | Very high | 94.3 | Very high | 70 Ų | 70 | 53.9 Ų | 53.9 | 37% | 0.366 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.2 | 134.6 | 178.1 | -66.2 | 174.1 | 0 | 0 | 0 | 111.4 | N165 R169 F172 | N165-L167 VanDerWaalsContact OD1-CB 3.22Å; N165-L167 WeakPolarHBondContact OD1-CB 3.3Å; N165-L167 WeakPolarHBondContact OD1-CG 3.41Å; N165-L167 PolarHBondContact OD1-N 3.25Å; L167-R169 PolarHBondContact O-N 2.86Å; L167-F172 HydrophobicContact CD2-CE1 4.27Å; L167-F172 HydrophobicContact CD2-CE2 3.79Å; L167-F172 HydrophobicContact CD2-CZ 3.31Å |
| 168 | A | 96.3 | Very high | 94.6 | Very high | 9 Ų | 9 | 54.6 Ų | 54.6 | 7% | 0.074 | 28% | 0.282 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 58.4 | 4.4 | -173.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | G166 S192 T194 A196 V204 Y206 | G166-A168 PolarHBondContact O-N 3.47Å; A168-S192 PolarHBondContact O-OG 3.12Å; A168-T194 VanDerWaalsContact C-CG2 3.43Å; A168-A196 HydrophobicContact CB-CB 4.21Å; A168-V204 HydrophobicContact CB-CG1 3.71Å; A168-Y206 HydrophobicContact CB-CD1 3.57Å; A168-Y206 HydrophobicContact CB-CD2 4.45Å; A168-Y206 HydrophobicContact CB-CE1 3.99Å; A168-Y206 HydrophobicContact CB-CG 3.83Å |
| 169 | R | 97.3 | Very high | 94.8 | Very high | 34 Ų | 34 | 49.4 Ų | 49.4 | 13% | 0.128 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -109.5 | -35.8 | 175 | -59.6 | 176.5 | 177.9 | 106.1 | 5.8 | 112 | V128 N165 G166 L167 L190 S208 | V128-R169 WeakPolarHBondContact CG2-O 3.16Å; N165-R169 PolarHBondContact O-NH1 2.83Å; G166-R169 WeakPolarHBondContact O-CA 3.41Å; G166-R169 WeakPolarHBondContact O-CB 3.35Å; G166-R169 PolarHBondContact O-N 2.89Å; L167-R169 PolarHBondContact O-N 2.86Å; R169-L190 HydrophobicContact CB-CD2 4.35Å; R169-L190 HydrophobicContact CG-CD2 3.92Å; R169-S208 PolarHBondContact NE-OG 2.78Å; R169-S208 PolarHBondContact NH2-OG 3.11Å |
| 170 | C | 97.7 | Very high | 94.9 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 25% | 0.248 | C | C | . | . | S | Bend | trans | -136 | 141.3 | -177.5 | -179.6 | 0 | 0 | 0 | 0 | 109.9 | C140 P147 G166 | C140-C170 HydrophobicContact CB-CB 3.6Å; P147-C170 HydrophobicContact CB-CB 4.08Å; G166-C170 PolarHBondContact O-N 2.83Å |
| 171 | P | 97.3 | Very high | 95.1 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 25% | 0.248 | C | C | . | . | trans | -68.4 | 163 | 176.4 | 27.2 | -34.3 | 0 | 0 | 0 | 112.3 | K127 P147 Q176 N178 T194 | K127-P171 HydrophobicContact CB-CG 4.03Å; K127-P171 HydrophobicContact CD-CG 4.49Å; K127-P171 HydrophobicContact CG-CG 3.94Å; P147-P171 WeakPolarHBondContact CG-O 3.39Å; P171-Q176 HydrophobicContact CB-CB 3.71Å; P171-Q176 VanDerWaalsContact CB-OE1 3.28Å; P171-Q176 HydrophobicContact CG-CB 4.39Å; P171-N178 HydrophobicContact CG-CB 4.01Å; P171-T194 WeakPolarHBondContact CA-OG1 3.36Å; P171-T194 WeakPolarHBondContact CB-OG1 3.42Å; P171-T194 WeakPolarHBondContact CD-OG1 3.48Å | ||
| 172 | F | 96.3 | Very high | 95.4 | Very high | 16 Ų | 16 | 44.6 Ų | 44.6 | 7% | 0.07 | 22% | 0.224 | C | C | . | . | S | Bend | trans | -82.1 | -39.5 | 172.2 | -71.6 | -106 | 0 | 0 | 0 | 112.1 | T142 F145 P147 L167 V195 D197 F198 | T142-F172 WeakPolarHBondContact CB-O 2.94Å; F145-F172 HydrophobicContact CB-CD1 4.39Å; F145-F172 HydrophobicContact CD1-CB 3.83Å; F145-F172 WeakPolarHBondContact CD1-O 3.35Å; F145-F172 HydrophobicContact CE1-CB 4.46Å; F145-F172 WeakPolarHBondContact O-CD1 3.19Å; P147-F172 HydrophobicContact CG-CB 4.34Å; P147-F172 HydrophobicContact CG-CD1 3.93Å; P147-F172 HydrophobicContact CG-CD2 3.93Å; P147-F172 HydrophobicContact CG-CE1 4.24Å; P147-F172 HydrophobicContact CG-CE2 4.24Å; P147-F172 HydrophobicContact CG-CG 3.78Å; P147-F172 HydrophobicContact CG-CZ 4.41Å; L167-F172 HydrophobicContact CD2-CE1 4.27Å; L167-F172 HydrophobicContact CD2-CE2 3.79Å; L167-F172 HydrophobicContact CD2-CZ 3.31Å; F172-V195 HydrophobicContact CD2-CG2 4.2Å; F172-D197 WeakPolarHBondContact CD2-O 3.41Å; F172-D197 WeakPolarHBondContact CE2-O 3.15Å; F172-F198 HydrophobicContact CD1-CB 4.09Å; F172-F198 HydrophobicContact CD1-CD2 4.05Å; F172-F198 HydrophobicContact CE1-CB 3.96Å; F172-F198 HydrophobicContact CZ-CB 4.48Å |
| 173 | D | 95.7 | Very high | 95.3 | Very high | 17 Ų | 17 | 37 Ų | 37 | 9% | 0.091 | 19% | 0.189 | C | C | . | . | S | Bend | trans | -101.6 | 136.5 | -177.2 | -159.6 | -59 | 0 | 0 | 0 | 110.7 | K117 F145 K175 Q176 | K117-D173 IonicContact NZ-OD2 3.21Å; K117-D173 PolarHBondContact NZ-OD2 2.87Å; F145-D173 HydrophobicContact CE1-CB 3.65Å; F145-D173 WeakPolarHBondContact CE1-OD2 3.49Å; F145-D173 HydrophobicContact CZ-CB 3.95Å; F145-D173 VanDerWaalsContact CZ-OD2 3.27Å; F145-D173 WeakPolarHBondContact CZ-OD2 3.22Å; D173-K175 PolarHBondContact O-N 2.84Å; D173-K175 WeakPolarHBondContact OD1-CB 3.1Å; D173-K175 WeakPolarHBondContact OD1-CG 3.35Å; D173-K175 PolarHBondContact OD1-N 2.77Å; D173-Q176 HydrophobicContact CB-CG 3.97Å; D173-Q176 VanDerWaalsContact N-OE1 3.16Å; D173-Q176 WeakPolarHBondContact O-CB 3.05Å; D173-Q176 PolarHBondContact O-N 2.85Å; D173-Q176 VanDerWaalsContact O-N 3.15Å |
| 174 | A | 95.4 | Very high | 94.3 | Very high | 17 Ų | 17 | 33 Ų | 33 | 14% | 0.14 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -25.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q64 F125 K127 Q176 | Q64-A174 PolarHBondContact OE1-O 3.4Å; F125-A174 HydrophobicContact CB-CB 3.74Å; F125-A174 HydrophobicContact CD1-CB 3.7Å; F125-A174 HydrophobicContact CD2-CB 3.61Å; F125-A174 HydrophobicContact CE1-CB 4.12Å; F125-A174 HydrophobicContact CE2-CB 4.05Å; F125-A174 HydrophobicContact CG-CB 3.4Å; F125-A174 VanDerWaalsContact CG-CB 3.4Å; F125-A174 HydrophobicContact CZ-CB 4.29Å; K127-A174 PolarHBondContact NZ-O 3.14Å; A174-Q176 VanDerWaalsContact C-N 3.29Å; A174-Q176 PolarHBondContact O-N 2.67Å |
| 175 | K | 93.5 | Very high | 92.6 | Very high | 157 Ų | 157 | 38.5 Ų | 38.5 | 68% | 0.683 | 20% | 0.196 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75.4 | -17.2 | 178.6 | -62.9 | 158.3 | -178.5 | 167.4 | 0 | 112.8 | E121 D173 | E121-K175 IonicContact OE1-NZ 2.76Å; E121-K175 PolarHBondContact OE1-NZ 2.93Å; D173-K175 PolarHBondContact O-N 2.84Å; D173-K175 WeakPolarHBondContact OD1-CB 3.1Å; D173-K175 WeakPolarHBondContact OD1-CG 3.35Å; D173-K175 PolarHBondContact OD1-N 2.77Å |
| 176 | Q | 95 | Very high | 90.8 | Very high | 44 Ų | 44 | 42.1 Ų | 42.1 | 21% | 0.206 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -71.6 | 141.5 | 178.1 | -73.3 | 163.8 | -14.6 | 0 | 0 | 111 | K127 P171 D173 A174 | K127-Q176 VanDerWaalsContact CE-O 3.3Å; K127-Q176 WeakPolarHBondContact CE-O 3.39Å; K127-Q176 PolarHBondContact NZ-O 3.27Å; P171-Q176 HydrophobicContact CB-CB 3.71Å; P171-Q176 VanDerWaalsContact CB-OE1 3.28Å; P171-Q176 HydrophobicContact CG-CB 4.39Å; D173-Q176 HydrophobicContact CB-CG 3.97Å; D173-Q176 VanDerWaalsContact N-OE1 3.16Å; D173-Q176 WeakPolarHBondContact O-CB 3.05Å; D173-Q176 PolarHBondContact O-N 2.85Å; D173-Q176 VanDerWaalsContact O-N 3.15Å; A174-Q176 VanDerWaalsContact C-N 3.29Å; A174-Q176 PolarHBondContact O-N 2.67Å |
| 177 | T | 95.6 | Very high | 89.5 | Confident | 45 Ų | 45 | 45.9 Ų | 45.9 | 28% | 0.276 | 23% | 0.232 | S | C | . | . | trans | -88.2 | 134.7 | 172.6 | 49.5 | 0 | 0 | 0 | 0 | 109.5 | H230 F231 L232 | T177-H230 VanDerWaalsContact OG1-CA 3.29Å; T177-H230 WeakPolarHBondContact OG1-CA 3.11Å; T177-H230 WeakPolarHBondContact OG1-CB 3.37Å; T177-H230 PolarHBondContact OG1-ND1 3.08Å; T177-H230 VanDerWaalsContact OG1-ND1 3.13Å; T177-F231 WeakPolarHBondContact CB-O 3.48Å; T177-L232 HydrophobicContact CG2-CD2 4.36Å | ||
| 178 | N | 97.1 | Very high | 88.8 | Confident | 27 Ų | 27 | 42.8 Ų | 42.8 | 14% | 0.144 | 22% | 0.217 | C | C | . | . | trans | -144.9 | 160.2 | -177 | 67.1 | -82 | 0 | 0 | 0 | 110.9 | K127 P171 A193 | K127-N178 WeakPolarHBondContact CE-OD1 3.29Å; K127-N178 PolarHBondContact O-ND2 2.8Å; P171-N178 HydrophobicContact CG-CB 4.01Å; N178-A193 VanDerWaalsContact CA-O 3.3Å; N178-A193 WeakPolarHBondContact CA-O 3.47Å | ||
| 179 | V | 97.1 | Very high | 88.6 | Confident | 13 Ų | 13 | 43 Ų | 43 | 8% | 0.079 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 144.5 | 177.3 | 178.7 | 0 | 0 | 0 | 0 | 109.4 | S192 A193 F231 H233 A234 | V179-S192 CarbonylContact O-C 3.57Å; V179-S192 VanDerWaalsContact O-CA 3.27Å; V179-S192 WeakPolarHBondContact O-CA 3.49Å; V179-A193 HydrophobicContact CB-CB 4.32Å; V179-A193 PolarHBondContact N-O 2.97Å; V179-A193 PolarHBondContact O-N 2.85Å; V179-F231 HydrophobicContact CB-CB 4.42Å; V179-F231 HydrophobicContact CG2-CB 3.75Å; V179-H233 VanDerWaalsContact CG2-N 3.35Å; V179-A234 HydrophobicContact CG1-CB 3.47Å; V179-A234 VanDerWaalsContact CG1-CB 3.47Å |
| 180 | A | 96.6 | Very high | 88.5 | Confident | 21 Ų | 21 | 41.5 Ų | 41.5 | 17% | 0.174 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 142.3 | 170.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | V128 V130 L190 Y191 | V128-A180 HydrophobicContact CB-CB 4.33Å; V128-A180 HydrophobicContact CG1-CB 3.59Å; V128-A180 HydrophobicContact CG2-CB 3.8Å; V130-A180 HydrophobicContact CG1-CB 4.32Å; V130-A180 WeakPolarHBondContact CG1-O 3.4Å; A180-L190 HydrophobicContact CB-CD1 4.45Å; A180-Y191 CarbonylContact C-O 3.5Å; A180-Y191 WeakPolarHBondContact CA-O 3.38Å |
| 181 | L | 94.8 | Very high | 88.5 | Confident | 44 Ų | 44 | 41.6 Ų | 41.6 | 23% | 0.23 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.9 | 134.7 | 179.8 | 176.6 | 64 | 0 | 0 | 0 | 109.3 | A183 Y191 V241 | L181-A183 HydrophobicContact CD2-CB 4.39Å; L181-A183 HydrophobicContact CG-CB 4.46Å; L181-Y191 PolarHBondContact N-O 2.79Å; L181-Y191 PolarHBondContact O-N 2.97Å; L181-V241 HydrophobicContact CD2-CG1 4.27Å |
| 182 | F | 93.3 | Very high | 88.5 | Confident | 30 Ų | 30 | 41.6 Ų | 41.6 | 13% | 0.132 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 124.5 | 158.6 | -81.8 | -66.9 | 0 | 0 | 0 | 108.6 | V130 P131 R132 F138 Y151 L190 M209 | V130-F182 HydrophobicContact CG2-CD2 3.78Å; V130-F182 HydrophobicContact CG2-CE2 3.92Å; P131-F182 WeakPolarHBondContact O-CD2 3.33Å; R132-F182 HydrophobicContact CB-CD2 4.44Å; R132-F182 HydrophobicContact CB-CE2 4.14Å; F138-F182 HydrophobicContact CB-CE2 3.69Å; F138-F182 HydrophobicContact CB-CZ 4.34Å; F138-F182 HydrophobicContact CD1-CE2 4.12Å; F138-F182 HydrophobicContact CD1-CZ 4.33Å; F138-F182 HydrophobicContact CG-CE2 4.03Å; F138-F182 HydrophobicContact CG-CZ 4.27Å; Y151-F182 HydrophobicContact CE1-CZ 4.41Å; F182-L190 HydrophobicContact CD1-CB 4.07Å; F182-L190 HydrophobicContact CD1-CD1 4.35Å; F182-L190 HydrophobicContact CD2-CD1 4.36Å; F182-L190 HydrophobicContact CE1-CB 3.6Å; F182-L190 HydrophobicContact CE1-CD1 4.13Å; F182-L190 HydrophobicContact CE1-CG 4.44Å; F182-L190 HydrophobicContact CE2-CD1 4.16Å; F182-L190 HydrophobicContact CG-CD1 4.45Å; F182-L190 HydrophobicContact CZ-CB 4.13Å; F182-L190 HydrophobicContact CZ-CD1 4.03Å; F182-M209 HydrophobicContact CE1-SD 4.11Å; F182-M209 HydrophobicContact CZ-SD 3.96Å |
| 183 | A | 85.8 | Confident | 88.6 | Confident | 3 Ų | 3 | 40.8 Ų | 40.8 | 3% | 0.025 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 146.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | L181 K189 Y191 E236 V241 | L181-A183 HydrophobicContact CD2-CB 4.39Å; L181-A183 HydrophobicContact CG-CB 4.46Å; A183-K189 PolarHBondContact N-O 2.85Å; A183-K189 VanDerWaalsContact N-O 3.16Å; A183-Y191 HydrophobicContact CB-CD2 3.71Å; A183-Y191 HydrophobicContact CB-CE2 3.8Å; A183-E236 WeakPolarHBondContact CA-OE2 3.5Å; A183-E236 HydrophobicContact CB-CB 4.35Å; A183-E236 HydrophobicContact CB-CG 4.48Å; A183-E236 VanDerWaalsContact CB-OE2 3.28Å; A183-E236 WeakPolarHBondContact CB-OE2 3.45Å; A183-V241 HydrophobicContact CB-CG2 3.71Å |
| 184 | G | 72.6 | Confident | 88.7 | Confident | 10 Ų | 10 | 40.1 Ų | 40.1 | 10% | 0.103 | 20% | 0.204 | C | C | . | . | S | Bend | trans | 67.6 | 85.6 | -168.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | L186 E187 G188 E236 | G184-L186 PolarHBondContact O-N 3.21Å; G184-E187 PolarHBondContact O-N 2.98Å; G184-G188 PolarHBondContact O-N 2.86Å; G184-E236 PolarHBondContact N-OE2 3.46Å |
| 185 | F | 58.4 | Low | 88.7 | Confident | 160 Ų | 160 | 40 Ų | 40 | 70% | 0.702 | 20% | 0.201 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -45.3 | -39.5 | -171.8 | -174.4 | -102.6 | 0 | 0 | 0 | 115.3 | ||
| 186 | L | 57.7 | Low | 88.7 | Confident | 168 Ų | 168 | 33.6 Ų | 33.6 | 88% | 0.88 | 18% | 0.177 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.1 | -26.5 | 179.2 | -60.2 | 176.2 | 0 | 0 | 0 | 113.9 | G184 | G184-L186 PolarHBondContact O-N 3.21Š|
| 187 | E | 69.1 | Low | 88.6 | Confident | 79 Ų | 79 | 32.8 Ų | 32.8 | 37% | 0.369 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | -29.2 | -178.6 | -59.7 | -179 | -148.3 | 0 | 0 | 111.9 | G184 K189 G210 | G184-E187 PolarHBondContact O-N 2.98Å; E187-K189 HydrophobicContact CB-CD 3.98Å; E187-K189 HydrophobicContact CB-CG 4.47Å; E187-K189 PolarHBondContact O-N 2.88Å; E187-K189 WeakPolarHBondContact OE2-CD 3.43Å; E187-K189 WeakPolarHBondContact OE2-CE 3.3Å; E187-K189 IonicContact OE2-NZ 2.73Å; E187-K189 PolarHBondContact OE2-NZ 2.87Å; E187-G210 WeakPolarHBondContact O-CA 3.43Å |
| 188 | G | 82.1 | Confident | 88.4 | Confident | 4 Ų | 4 | 34.2 Ų | 34.2 | 4% | 0.041 | 18% | 0.177 | C | C | . | . | trans | 61.6 | 40.3 | 172.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | R132 G184 G210 | R132-G188 PolarHBondContact NH1-O 2.94Å; G184-G188 PolarHBondContact O-N 2.86Å; G188-G210 PolarHBondContact O-N 2.84Å | ||
| 189 | K | 92.3 | Very high | 88.1 | Confident | 15 Ų | 15 | 40.7 Ų | 40.7 | 7% | 0.065 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 123.2 | 179.8 | -76.8 | 154.6 | -171.8 | 161.2 | 0 | 110 | A183 E187 Y191 R207 D211 | A183-K189 PolarHBondContact N-O 2.85Å; A183-K189 VanDerWaalsContact N-O 3.16Å; E187-K189 HydrophobicContact CB-CD 3.98Å; E187-K189 HydrophobicContact CB-CG 4.47Å; E187-K189 PolarHBondContact O-N 2.88Å; E187-K189 WeakPolarHBondContact OE2-CD 3.43Å; E187-K189 WeakPolarHBondContact OE2-CE 3.3Å; E187-K189 IonicContact OE2-NZ 2.73Å; E187-K189 PolarHBondContact OE2-NZ 2.87Å; K189-Y191 HydrophobicContact CB-CD2 4.37Å; K189-Y191 HydrophobicContact CB-CE2 3.78Å; K189-Y191 WeakPolarHBondContact O-CD2 3.24Å; K189-R207 HydrophobicContact CB-CG 4.1Å; K189-D211 WeakPolarHBondContact CE-OD1 3.37Å; K189-D211 IonicContact NZ-OD1 3.81Å; K189-D211 PolarHBondContact NZ-OD1 2.96Å |
| 190 | L | 95.1 | Very high | 87.8 | Confident | 1 Ų | 1 | 40.8 Ų | 40.8 | 1% | 0.005 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 114.8 | 174.3 | -178.6 | 72.1 | 0 | 0 | 0 | 108.8 | V130 F138 R169 A180 F182 R207 S208 M209 | V130-L190 HydrophobicContact CG2-CD1 4.39Å; F138-L190 HydrophobicContact CD1-CD1 4.23Å; F138-L190 HydrophobicContact CD1-CD2 4.34Å; F138-L190 HydrophobicContact CE1-CD1 4.19Å; F138-L190 HydrophobicContact CE1-CD2 3.53Å; F138-L190 HydrophobicContact CZ-CD2 4.06Å; R169-L190 HydrophobicContact CB-CD2 4.35Å; R169-L190 HydrophobicContact CG-CD2 3.92Å; A180-L190 HydrophobicContact CB-CD1 4.45Å; F182-L190 HydrophobicContact CD1-CB 4.07Å; F182-L190 HydrophobicContact CD1-CD1 4.35Å; F182-L190 HydrophobicContact CD2-CD1 4.36Å; F182-L190 HydrophobicContact CE1-CB 3.6Å; F182-L190 HydrophobicContact CE1-CD1 4.13Å; F182-L190 HydrophobicContact CE1-CG 4.44Å; F182-L190 HydrophobicContact CE2-CD1 4.16Å; F182-L190 HydrophobicContact CG-CD1 4.45Å; F182-L190 HydrophobicContact CZ-CB 4.13Å; F182-L190 HydrophobicContact CZ-CD1 4.03Å; L190-R207 CarbonylContact O-C 3.34Å; L190-R207 VanDerWaalsContact O-CA 3.23Å; L190-R207 WeakPolarHBondContact O-CA 3.47Å; L190-R207 WeakPolarHBondContact O-CG 3.36Å; L190-S208 WeakPolarHBondContact CB-O 3.44Å; L190-S208 PolarHBondContact N-O 3.11Å; L190-S208 PolarHBondContact O-N 3.16Å; L190-M209 HydrophobicContact CB-CB 4.34Å; L190-M209 HydrophobicContact CB-CG 4.16Å; L190-M209 HydrophobicContact CB-SD 4.05Å; L190-M209 HydrophobicContact CD2-CE 4.12Å; L190-M209 HydrophobicContact CD2-SD 4.19Å |
| 191 | Y | 97.3 | Very high | 87.5 | Confident | 2 Ų | 2 | 42.3 Ų | 42.3 | 1% | 0.008 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 132.2 | 168 | -71.7 | -98.7 | 0 | 0 | 0 | 108.5 | A180 L181 A183 K189 R207 V241 F243 K268 W282 | A180-Y191 CarbonylContact C-O 3.5Å; A180-Y191 WeakPolarHBondContact CA-O 3.38Å; L181-Y191 PolarHBondContact N-O 2.79Å; L181-Y191 PolarHBondContact O-N 2.97Å; A183-Y191 HydrophobicContact CB-CD2 3.71Å; A183-Y191 HydrophobicContact CB-CE2 3.8Å; K189-Y191 HydrophobicContact CB-CD2 4.37Å; K189-Y191 HydrophobicContact CB-CE2 3.78Å; K189-Y191 WeakPolarHBondContact O-CD2 3.24Å; Y191-R207 HydrophobicContact CD1-CB 4.19Å; Y191-R207 HydrophobicContact CD1-CG 4.24Å; Y191-R207 HydrophobicContact CD2-CG 4.23Å; Y191-R207 HydrophobicContact CE1-CB 4.2Å; Y191-R207 HydrophobicContact CE1-CG 4.05Å; Y191-R207 HydrophobicContact CE2-CG 4.03Å; Y191-R207 HydrophobicContact CG-CG 4.32Å; Y191-R207 VanDerWaalsContact OH-CD 3.28Å; Y191-R207 WeakPolarHBondContact OH-CD 3.36Å; Y191-V241 HydrophobicContact CD1-CB 4.18Å; Y191-V241 HydrophobicContact CD1-CG1 4.26Å; Y191-V241 HydrophobicContact CD1-CG2 3.99Å; Y191-V241 HydrophobicContact CD2-CG2 4.16Å; Y191-V241 HydrophobicContact CE1-CB 4.29Å; Y191-V241 HydrophobicContact CE1-CG2 3.88Å; Y191-V241 HydrophobicContact CE2-CG2 4.06Å; Y191-V241 HydrophobicContact CG-CG1 4.36Å; Y191-V241 HydrophobicContact CG-CG2 4.14Å; Y191-F243 HydrophobicContact CD1-CE2 4.37Å; Y191-F243 HydrophobicContact CD1-CZ 4.15Å; Y191-K268 WeakPolarHBondContact OH-CA 3.21Å; Y191-K268 PolarHBondContact OH-O 2.59Å; Y191-K268 VanDerWaalsContact OH-O 3.08Å; Y191-W282 HydrophobicContact CD1-CH2 4.17Å; Y191-W282 AromaticContact CE1-CH2 3.67Å; Y191-W282 HydrophobicContact CE1-CH2 3.67Å; Y191-W282 HydrophobicContact CE1-CZ3 4.39Å |
| 192 | S | 97.9 | Very high | 87.5 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 151.7 | -179.2 | 54.3 | 0 | 0 | 0 | 0 | 112.3 | A168 V179 Y206 | A168-S192 PolarHBondContact O-OG 3.12Å; V179-S192 CarbonylContact O-C 3.57Å; V179-S192 VanDerWaalsContact O-CA 3.27Å; V179-S192 WeakPolarHBondContact O-CA 3.49Å; S192-Y206 PolarHBondContact N-O 3.31Å; S192-Y206 PolarHBondContact O-N 3.44Å |
| 193 | A | 98.2 | Very high | 87.7 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 116.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | N178 V179 V204 I205 F231 F243 | N178-A193 VanDerWaalsContact CA-O 3.3Å; N178-A193 WeakPolarHBondContact CA-O 3.47Å; V179-A193 HydrophobicContact CB-CB 4.32Å; V179-A193 PolarHBondContact N-O 2.97Å; V179-A193 PolarHBondContact O-N 2.85Å; A193-V204 WeakPolarHBondContact CA-O 3.48Å; A193-I205 HydrophobicContact CB-CG1 3.85Å; A193-F231 HydrophobicContact CB-CB 3.87Å; A193-F231 HydrophobicContact CB-CD1 3.55Å; A193-F231 HydrophobicContact CB-CD2 3.79Å; A193-F231 HydrophobicContact CB-CE1 3.95Å; A193-F231 HydrophobicContact CB-CE2 4.16Å; A193-F231 HydrophobicContact CB-CG 3.44Å; A193-F231 VanDerWaalsContact CB-CG 3.44Å; A193-F231 HydrophobicContact CB-CZ 4.22Å; A193-F231 WeakPolarHBondContact O-CD2 3.47Å; A193-F243 HydrophobicContact CB-CD1 3.95Å; A193-F243 HydrophobicContact CB-CE1 3.97Å |
| 194 | T | 97.4 | Very high | 88.2 | Confident | 3 Ų | 3 | 39.7 Ų | 39.7 | 2% | 0.018 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -169.2 | -159 | -172.9 | -165.5 | 0 | 0 | 0 | 0 | 110.2 | A168 P171 V204 | A168-T194 VanDerWaalsContact C-CG2 3.43Å; P171-T194 WeakPolarHBondContact CA-OG1 3.36Å; P171-T194 WeakPolarHBondContact CB-OG1 3.42Å; P171-T194 WeakPolarHBondContact CD-OG1 3.48Å; T194-V204 PolarHBondContact N-O 3.37Å; T194-V204 VanDerWaalsContact N-O 3.11Å; T194-V204 PolarHBondContact O-N 2.94Å |
| 195 | V | 95.4 | Very high | 89.4 | Confident | 14 Ų | 14 | 39.2 Ų | 39.2 | 9% | 0.085 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 146.6 | 172.7 | -64.9 | 0 | 0 | 0 | 0 | 111.7 | F172 A200 D202 | F172-V195 HydrophobicContact CD2-CG2 4.2Å; V195-A200 HydrophobicContact CG1-CB 4.06Å; V195-D202 CarbonylContact C-O 3.59Å; V195-D202 WeakPolarHBondContact CA-O 3.35Å |
| 196 | A | 94.5 | Very high | 91.3 | Very high | 22 Ų | 22 | 33.7 Ų | 33.7 | 18% | 0.182 | 18% | 0.176 | C | C | . | . | S | Bend | trans | -100.5 | -1.3 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | A168 D202 V204 | A168-A196 HydrophobicContact CB-CB 4.21Å; A196-D202 HydrophobicContact CB-CB 4.18Å; A196-D202 WeakPolarHBondContact CB-OD2 3.3Å; A196-D202 PolarHBondContact N-O 2.97Å; A196-V204 HydrophobicContact CB-CG1 4.1Å |
| 197 | D | 93.1 | Very high | 93.2 | Very high | 28 Ų | 28 | 25.8 Ų | 25.8 | 15% | 0.15 | 14% | 0.135 | C | C | . | . | S | Bend | trans | -137.5 | 154.9 | -176.3 | 70.4 | -47.1 | 0 | 0 | 0 | 113.2 | F172 Q199 A200 S201 D202 | F172-D197 WeakPolarHBondContact CD2-O 3.41Å; F172-D197 WeakPolarHBondContact CE2-O 3.15Å; D197-Q199 PolarHBondContact O-N 3.1Å; D197-Q199 WeakPolarHBondContact OD2-CB 3.38Å; D197-A200 PolarHBondContact O-N 2.84Å; D197-A200 VanDerWaalsContact O-N 3.11Å; D197-A200 WeakPolarHBondContact OD1-CA 3.31Å; D197-A200 PolarHBondContact OD1-N 2.84Å; D197-A200 PolarHBondContact OD2-N 3.04Å; D197-S201 VanDerWaalsContact CG-N 3.34Å; D197-S201 PolarHBondContact OD1-N 3.48Å; D197-S201 WeakPolarHBondContact OD2-CB 3.45Å; D197-S201 PolarHBondContact OD2-N 2.93Å; D197-S201 PolarHBondContact OD2-OG 2.82Å; D197-D202 HydrophobicContact CB-CB 4.46Å; D197-D202 PolarHBondContact OD1-N 2.87Å |
| 198 | F | 90.7 | Very high | 94.3 | Very high | 74 Ų | 74 | 22.2 Ų | 22.2 | 33% | 0.325 | 12% | 0.118 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -27.1 | 179.5 | 177.3 | -91.2 | 0 | 0 | 0 | 113.4 | K115 K117 F145 F172 A200 | K115-F198 HydrophobicContact CB-CE1 4.4Å; K115-F198 HydrophobicContact CB-CE2 4.17Å; K115-F198 HydrophobicContact CB-CZ 3.7Å; K115-F198 HydrophobicContact CD-CD2 4.25Å; K115-F198 HydrophobicContact CD-CE2 3.77Å; K115-F198 HydrophobicContact CD-CZ 4.08Å; K115-F198 HydrophobicContact CG-CZ 4.37Å; K117-F198 HydrophobicContact CG-CE2 4.5Å; K117-F198 HydrophobicContact CG-CZ 4.19Å; F145-F198 HydrophobicContact CB-CD2 3.91Å; F145-F198 HydrophobicContact CB-CE2 3.63Å; F145-F198 HydrophobicContact CD1-CD2 4.05Å; F145-F198 AromaticContact CD1-CE2 3.67Å; F145-F198 HydrophobicContact CD1-CE2 3.67Å; F145-F198 HydrophobicContact CG-CD2 4.4Å; F145-F198 AromaticContact CG-CE2 3.9Å; F145-F198 HydrophobicContact CG-CE2 3.9Å; F172-F198 HydrophobicContact CD1-CB 4.09Å; F172-F198 HydrophobicContact CD1-CD2 4.05Å; F172-F198 HydrophobicContact CE1-CB 3.96Å; F172-F198 HydrophobicContact CZ-CB 4.48Å; F198-A200 VanDerWaalsContact C-N 3.32Å |
| 199 | Q | 90.5 | Very high | 94.6 | Very high | 164 Ų | 164 | 23.8 Ų | 23.8 | 77% | 0.766 | 13% | 0.125 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.7 | 0.8 | 178.6 | -66.6 | -178.8 | -23.2 | 0 | 0 | 113.6 | D197 S201 | D197-Q199 PolarHBondContact O-N 3.1Å; D197-Q199 WeakPolarHBondContact OD2-CB 3.38Å; Q199-S201 PolarHBondContact O-N 2.84Å; Q199-S201 VanDerWaalsContact O-N 3.15Å |
| 200 | A | 90.4 | Very high | 94.2 | Very high | 14 Ų | 14 | 25.2 Ų | 25.2 | 12% | 0.116 | 14% | 0.144 | C | C | . | . | S | Bend | trans | 60.5 | 13.7 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | V195 D197 F198 | V195-A200 HydrophobicContact CG1-CB 4.06Å; D197-A200 PolarHBondContact O-N 2.84Å; D197-A200 VanDerWaalsContact O-N 3.11Å; D197-A200 WeakPolarHBondContact OD1-CA 3.31Å; D197-A200 PolarHBondContact OD1-N 2.84Å; D197-A200 PolarHBondContact OD2-N 3.04Å; F198-A200 VanDerWaalsContact C-N 3.32Å |
| 201 | S | 91.6 | Very high | 93.2 | Very high | 54 Ų | 54 | 31.6 Ų | 31.6 | 38% | 0.378 | 18% | 0.178 | S | C | . | . | trans | -77 | -24.2 | -176.3 | 74 | 0 | 0 | 0 | 0 | 113.9 | D197 Q199 | D197-S201 VanDerWaalsContact CG-N 3.34Å; D197-S201 PolarHBondContact OD1-N 3.48Å; D197-S201 WeakPolarHBondContact OD2-CB 3.45Å; D197-S201 PolarHBondContact OD2-N 2.93Å; D197-S201 PolarHBondContact OD2-OG 2.82Å; Q199-S201 PolarHBondContact O-N 2.84Å; Q199-S201 VanDerWaalsContact O-N 3.15Å | ||
| 202 | D | 94.8 | Very high | 92.1 | Very high | 8 Ų | 8 | 32.6 Ų | 32.6 | 4% | 0.043 | 19% | 0.189 | C | C | . | . | trans | -106.3 | 70 | -179.4 | -172.1 | 17.9 | 0 | 0 | 0 | 111.2 | V195 A196 D197 V204 R216 K219 | V195-D202 CarbonylContact C-O 3.59Å; V195-D202 WeakPolarHBondContact CA-O 3.35Å; A196-D202 HydrophobicContact CB-CB 4.18Å; A196-D202 WeakPolarHBondContact CB-OD2 3.3Å; A196-D202 PolarHBondContact N-O 2.97Å; D197-D202 HydrophobicContact CB-CB 4.46Å; D197-D202 PolarHBondContact OD1-N 2.87Å; D202-V204 PolarHBondContact O-N 2.89Å; D202-R216 IonicContact OD1-CZ 2.73Å; D202-R216 IonicContact OD1-NH1 3.34Å; D202-R216 IonicContact OD1-NH2 3.33Å; D202-R216 PolarHBondContact OD1-NH2 2.83Å; D202-R216 IonicContact OD2-CZ 2.75Å; D202-R216 IonicContact OD2-NH1 2.68Å; D202-R216 PolarHBondContact OD2-NH1 3.03Å; D202-R216 IonicContact OD2-NH2 3.09Å; D202-R216 PolarHBondContact OD2-NH2 2.91Å; D202-K219 WeakPolarHBondContact OD1-CG 3.48Å; D202-K219 WeakPolarHBondContact OD2-CE 3.46Å | ||
| 203 | S | 96.1 | Very high | 91.4 | Very high | 14 Ų | 14 | 35 Ų | 35 | 10% | 0.098 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.1 | 127.4 | 167.7 | 62.9 | 0 | 0 | 0 | 0 | 110.8 | L225 P229 | S203-L225 WeakPolarHBondContact O-CD1 3.33Å; S203-P229 VanDerWaalsContact CB-CD 3.46Å; S203-P229 VanDerWaalsContact CB-CG 3.48Å; S203-P229 WeakPolarHBondContact OG-CD 3.17Å |
| 204 | V | 97.6 | Very high | 91.2 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 139.3 | -169.9 | 66.7 | 0 | 0 | 0 | 0 | 111.8 | A168 A193 T194 A196 D202 R216 T217 | A168-V204 HydrophobicContact CB-CG1 3.71Å; A193-V204 WeakPolarHBondContact CA-O 3.48Å; T194-V204 PolarHBondContact N-O 3.37Å; T194-V204 VanDerWaalsContact N-O 3.11Å; T194-V204 PolarHBondContact O-N 2.94Å; A196-V204 HydrophobicContact CB-CG1 4.1Å; D202-V204 PolarHBondContact O-N 2.89Å; V204-R216 HydrophobicContact CG2-CB 3.74Å; V204-T217 WeakPolarHBondContact CA-OG1 3.02Å |
| 205 | I | 98.4 | Very high | 91.2 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 121.3 | 157 | -63.4 | 163.9 | 0 | 0 | 0 | 107 | A193 R216 T217 L225 F231 F243 Y245 I266 W282 F285 | A193-I205 HydrophobicContact CB-CG1 3.85Å; I205-R216 WeakPolarHBondContact O-CA 3.24Å; I205-T217 HydrophobicContact CB-CG2 3.78Å; I205-T217 PolarHBondContact N-OG1 3.21Å; I205-T217 VanDerWaalsContact N-OG1 3.14Å; I205-T217 PolarHBondContact O-N 3.33Å; I205-L225 HydrophobicContact CD1-CD2 4.15Å; I205-L225 HydrophobicContact CG1-CD1 4.33Å; I205-F231 HydrophobicContact CD1-CE1 3.98Å; I205-F231 HydrophobicContact CG1-CD1 4.36Å; I205-F231 HydrophobicContact CG1-CE1 3.68Å; I205-F231 HydrophobicContact CG1-CZ 4.15Å; I205-F243 HydrophobicContact CD1-CB 4.33Å; I205-F243 HydrophobicContact CD1-CG 4.3Å; I205-F243 HydrophobicContact CG1-CD1 4.44Å; I205-F243 HydrophobicContact CG2-CD1 4.05Å; I205-F243 HydrophobicContact CG2-CD2 4.06Å; I205-F243 HydrophobicContact CG2-CE1 3.64Å; I205-F243 HydrophobicContact CG2-CE2 3.65Å; I205-F243 HydrophobicContact CG2-CG 4.24Å; I205-F243 HydrophobicContact CG2-CZ 3.4Å; I205-F243 VanDerWaalsContact CG2-CZ 3.4Å; I205-Y245 HydrophobicContact CD1-CE1 4.47Å; I205-I266 HydrophobicContact CG2-CD1 3.68Å; I205-W282 PolarHBondContact O-NE1 2.89Å; I205-F285 HydrophobicContact CD1-CE2 3.85Å |
| 206 | Y | 97.9 | Very high | 91.3 | Very high | 43 Ų | 43 | 38.8 Ų | 38.8 | 17% | 0.169 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 151.6 | -163.3 | -174.4 | -127.7 | 0 | 0 | 0 | 111 | A168 S192 A214 L215 R216 | A168-Y206 HydrophobicContact CB-CD1 3.57Å; A168-Y206 HydrophobicContact CB-CD2 4.45Å; A168-Y206 HydrophobicContact CB-CE1 3.99Å; A168-Y206 HydrophobicContact CB-CG 3.83Å; S192-Y206 PolarHBondContact N-O 3.31Å; S192-Y206 PolarHBondContact O-N 3.44Å; Y206-A214 HydrophobicContact CE2-CB 4.07Å; Y206-L215 CarbonylContact C-O 3.47Å; Y206-L215 WeakPolarHBondContact CA-O 3.29Å; Y206-L215 WeakPolarHBondContact CD2-O 3.5Å; Y206-R216 HydrophobicContact CD2-CB 4.03Å |
| 207 | R | 96.5 | Very high | 91.4 | Very high | 2 Ų | 2 | 37.8 Ų | 37.8 | 1% | 0.008 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 140 | 162.8 | -176.3 | -164.8 | 75.5 | -166.2 | -4.3 | 110.3 | K189 L190 Y191 S213 A214 L215 K268 D270 W282 | K189-R207 HydrophobicContact CB-CG 4.1Å; L190-R207 CarbonylContact O-C 3.34Å; L190-R207 VanDerWaalsContact O-CA 3.23Å; L190-R207 WeakPolarHBondContact O-CA 3.47Å; L190-R207 WeakPolarHBondContact O-CG 3.36Å; Y191-R207 HydrophobicContact CD1-CB 4.19Å; Y191-R207 HydrophobicContact CD1-CG 4.24Å; Y191-R207 HydrophobicContact CD2-CG 4.23Å; Y191-R207 HydrophobicContact CE1-CB 4.2Å; Y191-R207 HydrophobicContact CE1-CG 4.05Å; Y191-R207 HydrophobicContact CE2-CG 4.03Å; Y191-R207 HydrophobicContact CG-CG 4.32Å; Y191-R207 VanDerWaalsContact OH-CD 3.28Å; Y191-R207 WeakPolarHBondContact OH-CD 3.36Å; R207-S213 PolarHBondContact NH2-O 3.24Å; R207-A214 CarbonylContact O-C 3.57Å; R207-A214 WeakPolarHBondContact O-CA 3.48Å; R207-L215 PolarHBondContact N-O 2.94Å; R207-L215 PolarHBondContact O-N 2.96Å; R207-L215 VanDerWaalsContact O-N 3.07Å; R207-K268 PolarHBondContact NH1-O 3.37Å; R207-K268 VanDerWaalsContact NH1-O 3.17Å; R207-D270 PolarHBondContact NH1-O 2.84Å; R207-D270 PolarHBondContact NH2-O 3.26Å; R207-W282 HydrophobicContact CB-CH2 3.34Å; R207-W282 HydrophobicContact CB-CZ2 3.62Å; R207-W282 HydrophobicContact CB-CZ3 4.46Å; R207-W282 HydrophobicContact CG-CH2 4.24Å |
| 208 | S | 93.6 | Very high | 91.6 | Very high | 4 Ų | 4 | 38 Ų | 38 | 3% | 0.028 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.6 | -179.6 | 172.9 | 63.8 | 0 | 0 | 0 | 0 | 110.7 | R169 L190 | R169-S208 PolarHBondContact NE-OG 2.78Å; R169-S208 PolarHBondContact NH2-OG 3.11Å; L190-S208 WeakPolarHBondContact CB-O 3.44Å; L190-S208 PolarHBondContact N-O 3.11Å; L190-S208 PolarHBondContact O-N 3.16Å |
| 209 | M | 87.4 | Confident | 91.8 | Very high | 38 Ų | 38 | 38.9 Ų | 38.9 | 19% | 0.187 | 22% | 0.224 | C | C | . | . | S | Bend | trans | 64.8 | 170.6 | -173.6 | -46.2 | -172.3 | 173.4 | 0 | 0 | 113.2 | F138 Y151 I164 F182 L190 | F138-M209 HydrophobicContact CE1-CE 4.24Å; F138-M209 HydrophobicContact CE2-CE 3.59Å; F138-M209 HydrophobicContact CE2-SD 4.43Å; F138-M209 HydrophobicContact CZ-CE 3.38Å; F138-M209 HydrophobicContact CZ-SD 4.35Å; Y151-M209 PolarHBondContact OH-SD 2.9Å; Y151-M209 VanDerWaalsContact OH-SD 3.36Å; I164-M209 HydrophobicContact CD1-CE 4.1Å; I164-M209 HydrophobicContact CG2-CE 3.8Å; F182-M209 HydrophobicContact CE1-SD 4.11Å; F182-M209 HydrophobicContact CZ-SD 3.96Å; L190-M209 HydrophobicContact CB-CB 4.34Å; L190-M209 HydrophobicContact CB-CG 4.16Å; L190-M209 HydrophobicContact CB-SD 4.05Å; L190-M209 HydrophobicContact CD2-CE 4.12Å; L190-M209 HydrophobicContact CD2-SD 4.19Å |
| 210 | G | 83.6 | Confident | 91.8 | Very high | 44 Ų | 44 | 38.2 Ų | 38.2 | 45% | 0.454 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 74.5 | -162.8 | -166.4 | 0 | 0 | 0 | 0 | 0 | 112 | E187 G188 G212 | E187-G210 WeakPolarHBondContact O-CA 3.43Å; G188-G210 PolarHBondContact O-N 2.84Å; G210-G212 VanDerWaalsContact C-N 3.34Å |
| 211 | D | 74.1 | Confident | 91.9 | Very high | 135 Ų | 135 | 39.7 Ų | 39.7 | 72% | 0.722 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.2 | -10.7 | 179.7 | 62.7 | -13.7 | 0 | 0 | 0 | 114.4 | K189 | K189-D211 WeakPolarHBondContact CE-OD1 3.37Å; K189-D211 IonicContact NZ-OD1 3.81Å; K189-D211 PolarHBondContact NZ-OD1 2.96Å |
| 212 | G | 74.2 | Confident | 92 | Very high | 24 Ų | 24 | 40.1 Ų | 40.1 | 25% | 0.247 | 22% | 0.224 | C | C | . | . | S | Bend | trans | -89 | 158.3 | -167.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | G210 | G210-G212 VanDerWaalsContact C-N 3.34Š|
| 213 | S | 83.7 | Confident | 91.9 | Very high | 51 Ų | 51 | 42.2 Ų | 42.2 | 36% | 0.357 | 23% | 0.233 | S | C | . | . | P | Polyproline II helix | trans | -56.2 | 139.5 | 163.1 | 53.4 | 0 | 0 | 0 | 0 | 110.8 | R207 L215 V271 | R207-S213 PolarHBondContact NH2-O 3.24Å; S213-L215 PolarHBondContact O-N 2.62Å; S213-V271 PolarHBondContact OG-O 2.87Å |
| 214 | A | 94.1 | Very high | 91.9 | Very high | 44 Ų | 44 | 41.5 Ų | 41.5 | 36% | 0.364 | 23% | 0.228 | S | C | . | . | P | Polyproline II helix | trans | -71.1 | 126.9 | 170.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | Y206 R207 | Y206-A214 HydrophobicContact CE2-CB 4.07Å; R207-A214 CarbonylContact O-C 3.57Å; R207-A214 WeakPolarHBondContact O-CA 3.48Å |
| 215 | L | 97.1 | Very high | 91.8 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 142.9 | -176.2 | -62.7 | -177.6 | 0 | 0 | 0 | 110.7 | Y206 R207 S213 D270 W282 | Y206-L215 CarbonylContact C-O 3.47Å; Y206-L215 WeakPolarHBondContact CA-O 3.29Å; Y206-L215 WeakPolarHBondContact CD2-O 3.5Å; R207-L215 PolarHBondContact N-O 2.94Å; R207-L215 PolarHBondContact O-N 2.96Å; R207-L215 VanDerWaalsContact O-N 3.07Å; S213-L215 PolarHBondContact O-N 2.62Å; L215-D270 HydrophobicContact CD1-CB 4.14Å; L215-D270 WeakPolarHBondContact CD1-O 3.19Å; L215-W282 HydrophobicContact CB-CD2 3.85Å; L215-W282 HydrophobicContact CB-CE3 3.77Å; L215-W282 HydrophobicContact CB-CH2 4.02Å; L215-W282 HydrophobicContact CB-CZ2 4.05Å; L215-W282 HydrophobicContact CB-CZ3 3.86Å; L215-W282 HydrophobicContact CD1-CD2 4.37Å; L215-W282 HydrophobicContact CD1-CE3 3.52Å; L215-W282 HydrophobicContact CD1-CH2 4.42Å; L215-W282 HydrophobicContact CD1-CZ3 3.55Å; L215-W282 HydrophobicContact CG-CE3 4.31Å; L215-W282 HydrophobicContact CG-CZ3 4.32Å |
| 216 | R | 97.3 | Very high | 91.4 | Very high | 51 Ų | 51 | 44.1 Ų | 44.1 | 19% | 0.192 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 159.5 | 178.9 | 61.3 | 166.1 | -67.4 | 147.7 | 8 | 113.5 | D202 V204 I205 Y206 K280 H281 W282 | D202-R216 IonicContact OD1-CZ 2.73Å; D202-R216 IonicContact OD1-NH1 3.34Å; D202-R216 IonicContact OD1-NH2 3.33Å; D202-R216 PolarHBondContact OD1-NH2 2.83Å; D202-R216 IonicContact OD2-CZ 2.75Å; D202-R216 IonicContact OD2-NH1 2.68Å; D202-R216 PolarHBondContact OD2-NH1 3.03Å; D202-R216 IonicContact OD2-NH2 3.09Å; D202-R216 PolarHBondContact OD2-NH2 2.91Å; V204-R216 HydrophobicContact CG2-CB 3.74Å; I205-R216 WeakPolarHBondContact O-CA 3.24Å; Y206-R216 HydrophobicContact CD2-CB 4.03Å; R216-K280 PolarHBondContact N-O 3.43Å; R216-H281 WeakPolarHBondContact O-CA 3.35Å; R216-H281 PolarHBondContact O-CD2 2.91Å; R216-W282 PolarHBondContact O-N 3.44Å |
| 217 | T | 97.9 | Very high | 90.5 | Very high | 1 Ų | 1 | 44.8 Ų | 44.8 | 1% | 0.006 | 26% | 0.255 | C | S | . | . | P | Polyproline II helix | trans | -66.3 | 149.4 | 161.6 | 51.3 | 0 | 0 | 0 | 0 | 110.9 | V204 I205 K219 W224 L225 F285 | V204-T217 WeakPolarHBondContact CA-OG1 3.02Å; I205-T217 HydrophobicContact CB-CG2 3.78Å; I205-T217 PolarHBondContact N-OG1 3.21Å; I205-T217 VanDerWaalsContact N-OG1 3.14Å; I205-T217 PolarHBondContact O-N 3.33Å; T217-K219 PolarHBondContact O-N 2.87Å; T217-W224 HydrophobicContact CG2-CE3 3.79Å; T217-W224 HydrophobicContact CG2-CZ3 4.14Å; T217-L225 HydrophobicContact CG2-CD1 4.11Å; T217-L225 WeakPolarHBondContact OG1-CD1 3.4Å; T217-F285 HydrophobicContact CG2-CD2 4.31Å; T217-F285 HydrophobicContact CG2-CE2 4.24Å; T217-F285 HydrophobicContact CG2-CZ 4.45Å |
| 218 | I | 96.8 | Very high | 89.7 | Confident | 32 Ų | 32 | 51.6 Ų | 51.6 | 16% | 0.164 | 29% | 0.287 | C | S | . | . | P | Polyproline II helix | trans | -61 | 131.1 | -177.2 | -57.9 | -177.5 | 0 | 0 | 0 | 110.4 | Y220 D221 W224 L278 K402 | I218-Y220 PolarHBondContact O-N 3.01Å; I218-D221 HydrophobicContact CB-CB 3.92Å; I218-D221 HydrophobicContact CG2-CB 3.79Å; I218-W224 HydrophobicContact CB-CD2 4.28Å; I218-W224 HydrophobicContact CB-CG 4.44Å; I218-W224 HydrophobicContact CD1-CD2 4.29Å; I218-W224 HydrophobicContact CD1-CH2 4.34Å; I218-W224 HydrophobicContact CD1-CZ2 3.54Å; I218-W224 HydrophobicContact CG1-CD2 4.02Å; I218-W224 HydrophobicContact CG1-CE3 4.35Å; I218-W224 HydrophobicContact CG1-CH2 4.08Å; I218-W224 HydrophobicContact CG1-CZ2 3.73Å; I218-W224 HydrophobicContact CG1-CZ3 4.38Å; I218-L278 HydrophobicContact CD1-CD2 3.87Å; I218-L278 HydrophobicContact CG1-CD2 4.32Å; I218-K402 HydrophobicContact CD1-CD 4.21Å; I218-K402 HydrophobicContact CD1-CG 3.77Å |
| 219 | K | 94.4 | Very high | 89.7 | Confident | 93 Ų | 93 | 51.8 Ų | 51.8 | 40% | 0.404 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | 130.9 | 179.3 | -154.8 | -174.2 | -167.2 | -160 | 0 | 110.4 | D202 T217 D221 | D202-K219 WeakPolarHBondContact OD1-CG 3.48Å; D202-K219 WeakPolarHBondContact OD2-CE 3.46Å; T217-K219 PolarHBondContact O-N 2.87Å; K219-D221 PolarHBondContact O-N 2.98Å; K219-D221 VanDerWaalsContact O-N 3.12Å |
| 220 | Y | 90.3 | Very high | 90.1 | Very high | 150 Ų | 150 | 53.4 Ų | 53.4 | 59% | 0.588 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.2 | 11.4 | 177.3 | -49.2 | -52.2 | 0 | 0 | 0 | 116.6 | I218 S222 | I218-Y220 PolarHBondContact O-N 3.01Å; Y220-S222 PolarHBondContact O-N 3.12Å |
| 221 | D | 93.6 | Very high | 90.8 | Very high | 45 Ų | 45 | 51.5 Ų | 51.5 | 24% | 0.241 | 27% | 0.274 | C | S | . | . | trans | -84.2 | 102.7 | 173.7 | -167.5 | -35.2 | 0 | 0 | 0 | 110.9 | I218 K219 K223 W224 L225 | I218-D221 HydrophobicContact CB-CB 3.92Å; I218-D221 HydrophobicContact CG2-CB 3.79Å; K219-D221 PolarHBondContact O-N 2.98Å; K219-D221 VanDerWaalsContact O-N 3.12Å; D221-K223 PolarHBondContact O-N 2.95Å; D221-K223 VanDerWaalsContact OD1-CB 3.29Å; D221-K223 WeakPolarHBondContact OD1-CB 3.4Å; D221-K223 PolarHBondContact OD1-N 3.1Å; D221-W224 HydrophobicContact CB-CB 4.33Å; D221-W224 HydrophobicContact CB-CG 4.29Å; D221-W224 VanDerWaalsContact CG-CD1 3.48Å; D221-W224 WeakPolarHBondContact O-CB 3.23Å; D221-W224 PolarHBondContact O-N 3.34Å; D221-L225 PolarHBondContact O-N 2.96Å; D221-L225 VanDerWaalsContact O-N 3.16Å | ||
| 222 | S | 92 | Very high | 91.9 | Very high | 63 Ų | 63 | 47.1 Ų | 47.1 | 44% | 0.441 | 25% | 0.25 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -16.4 | -179.7 | 70.6 | 0 | 0 | 0 | 0 | 114.7 | Y220 W224 K226 V250 | Y220-S222 PolarHBondContact O-N 3.12Å; S222-W224 VanDerWaalsContact C-N 3.29Å; S222-K226 WeakPolarHBondContact O-CB 3.41Å; S222-V250 VanDerWaalsContact O-CG1 3.25Å; S222-V250 WeakPolarHBondContact O-CG1 3.49Å |
| 223 | K | 93 | Very high | 93 | Very high | 52 Ų | 52 | 47.4 Ų | 47.4 | 23% | 0.226 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | -34.1 | 169.5 | -67.8 | -174.8 | 163.7 | -170.1 | 0 | 110.7 | D221 K287 S403 P405 | D221-K223 PolarHBondContact O-N 2.95Å; D221-K223 VanDerWaalsContact OD1-CB 3.29Å; D221-K223 WeakPolarHBondContact OD1-CB 3.4Å; D221-K223 PolarHBondContact OD1-N 3.1Å; K223-K287 WeakPolarHBondContact O-CE 3.3Å; K223-K287 PolarHBondContact O-NZ 3.43Å; K223-S403 WeakPolarHBondContact CD-O 3.41Å; K223-S403 PolarHBondContact NZ-O 2.83Å; K223-P405 HydrophobicContact CB-CG 4Å; K223-P405 WeakPolarHBondContact O-CG 3.4Å |
| 224 | W | 96 | Very high | 93.7 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.6 | -58.1 | -179.8 | -76 | 61.5 | 0 | 0 | 0 | 112 | T217 I218 D221 S222 L278 W282 F285 K287 K402 P405 | T217-W224 HydrophobicContact CG2-CE3 3.79Å; T217-W224 HydrophobicContact CG2-CZ3 4.14Å; I218-W224 HydrophobicContact CB-CD2 4.28Å; I218-W224 HydrophobicContact CB-CG 4.44Å; I218-W224 HydrophobicContact CD1-CD2 4.29Å; I218-W224 HydrophobicContact CD1-CH2 4.34Å; I218-W224 HydrophobicContact CD1-CZ2 3.54Å; I218-W224 HydrophobicContact CG1-CD2 4.02Å; I218-W224 HydrophobicContact CG1-CE3 4.35Å; I218-W224 HydrophobicContact CG1-CH2 4.08Å; I218-W224 HydrophobicContact CG1-CZ2 3.73Å; I218-W224 HydrophobicContact CG1-CZ3 4.38Å; D221-W224 HydrophobicContact CB-CB 4.33Å; D221-W224 HydrophobicContact CB-CG 4.29Å; D221-W224 VanDerWaalsContact CG-CD1 3.48Å; D221-W224 WeakPolarHBondContact O-CB 3.23Å; D221-W224 PolarHBondContact O-N 3.34Å; S222-W224 VanDerWaalsContact C-N 3.29Å; W224-L278 HydrophobicContact CH2-CD2 4.12Å; W224-L278 HydrophobicContact CZ2-CD2 3.95Å; W224-W282 HydrophobicContact CH2-CB 4.25Å; W224-W282 WeakPolarHBondContact CH2-O 3.29Å; W224-W282 HydrophobicContact CZ3-CB 4.08Å; W224-F285 HydrophobicContact CB-CE1 4.25Å; W224-F285 AromaticContact CD2-CD1 3.87Å; W224-F285 HydrophobicContact CD2-CD1 3.87Å; W224-F285 HydrophobicContact CD2-CE1 4.14Å; W224-F285 HydrophobicContact CE3-CB 4.35Å; W224-F285 AromaticContact CE3-CD1 3.32Å; W224-F285 HydrophobicContact CE3-CD1 3.32Å; W224-F285 AromaticContact CE3-CE1 3.77Å; W224-F285 HydrophobicContact CE3-CE1 3.77Å; W224-F285 AromaticContact CE3-CG 3.93Å; W224-F285 HydrophobicContact CE3-CG 3.93Å; W224-F285 HydrophobicContact CG-CE1 4.37Å; W224-F285 HydrophobicContact CH2-CB 4.19Å; W224-F285 HydrophobicContact CH2-CD1 4.35Å; W224-F285 HydrophobicContact CZ3-CB 3.73Å; W224-F285 AromaticContact CZ3-CD1 3.62Å; W224-F285 HydrophobicContact CZ3-CD1 3.62Å; W224-F285 HydrophobicContact CZ3-CE1 4.47Å; W224-F285 AromaticContact CZ3-CG 3.82Å; W224-F285 HydrophobicContact CZ3-CG 3.82Å; W224-K287 PolarHBondContact O-NZ 3.48Å; W224-K402 PolarHBondContact NE1-O 3.27Å; W224-P405 HydrophobicContact CG-CG 4.38Å |
| 225 | L | 95.8 | Very high | 93.8 | Very high | 14 Ų | 14 | 43.6 Ų | 43.6 | 7% | 0.073 | 22% | 0.216 | C | C | . | . | S | Bend | trans | -142.2 | 125.6 | 177.8 | -68.2 | 173 | 0 | 0 | 0 | 109 | S203 I205 T217 D221 P229 F231 Y245 | S203-L225 WeakPolarHBondContact O-CD1 3.33Å; I205-L225 HydrophobicContact CD1-CD2 4.15Å; I205-L225 HydrophobicContact CG1-CD1 4.33Å; T217-L225 HydrophobicContact CG2-CD1 4.11Å; T217-L225 WeakPolarHBondContact OG1-CD1 3.4Å; D221-L225 PolarHBondContact O-N 2.96Å; D221-L225 VanDerWaalsContact O-N 3.16Å; L225-P229 HydrophobicContact CB-CG 4.41Å; L225-P229 HydrophobicContact CD2-CG 4.41Å; L225-F231 HydrophobicContact CD1-CZ 4.13Å; L225-F231 HydrophobicContact CD2-CE1 4.15Å; L225-F231 HydrophobicContact CD2-CZ 4.41Å; L225-Y245 HydrophobicContact CD2-CE2 3.7Å |
| 226 | K | 90 | Very high | 93.6 | Very high | 41 Ų | 41 | 47.1 Ų | 47.1 | 18% | 0.178 | 23% | 0.233 | C | C | . | . | trans | -117.7 | 115.3 | -175.2 | -174.7 | 168.2 | 166.2 | -170.8 | 0 | 113.4 | S222 E247 I248 A249 V250 | S222-K226 WeakPolarHBondContact O-CB 3.41Å; K226-E247 PolarHBondContact N-OE2 2.82Å; K226-I248 WeakPolarHBondContact CB-O 3.07Å; K226-I248 HydrophobicContact CD-CB 4.47Å; K226-I248 WeakPolarHBondContact CD-O 3.28Å; K226-I248 HydrophobicContact CG-CB 4.25Å; K226-I248 PolarHBondContact O-N 3.41Å; K226-A249 PolarHBondContact NZ-O 3.04Å; K226-V250 HydrophobicContact CB-CG1 4.42Å; K226-V250 HydrophobicContact CD-CG1 3.48Å; K226-V250 VanDerWaalsContact CD-CG1 3.48Å | ||
| 227 | A | 78.8 | Confident | 93.5 | Very high | 57 Ų | 57 | 47.5 Ų | 47.5 | 47% | 0.471 | 24% | 0.236 | S | C | . | . | S | Bend | trans | 53.1 | 95.2 | 165.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | I248 | A227-I248 HydrophobicContact CB-CD1 3.8Å; A227-I248 HydrophobicContact CB-CG1 4.18Å |
| 228 | E | 79.8 | Confident | 93.3 | Very high | 144 Ų | 144 | 49.9 Ų | 49.9 | 67% | 0.673 | 26% | 0.261 | S | S | * | . | S | Bend | trans | 47.1 | 56.4 | 174.8 | -66 | 175.5 | -142 | 0 | 0 | 114 | H230 | E228-H230 PolarHBondContact O-N 3.29Š|
| 229 | P | 93.4 | Very high | 93.2 | Very high | 8 Ų | 8 | 51.5 Ų | 51.5 | 5% | 0.052 | 27% | 0.269 | C | S | . | . | trans | -60.4 | 129.6 | 176.5 | 27.6 | -36.5 | 0 | 0 | 0 | 111.3 | S203 L225 F231 Y245 R246 E247 | S203-P229 VanDerWaalsContact CB-CD 3.46Å; S203-P229 VanDerWaalsContact CB-CG 3.48Å; S203-P229 WeakPolarHBondContact OG-CD 3.17Å; L225-P229 HydrophobicContact CB-CG 4.41Å; L225-P229 HydrophobicContact CD2-CG 4.41Å; P229-F231 HydrophobicContact CB-CE1 4.16Å; P229-F231 HydrophobicContact CB-CZ 4.08Å; P229-F231 HydrophobicContact CG-CE1 4.12Å; P229-F231 HydrophobicContact CG-CE2 3.99Å; P229-F231 HydrophobicContact CG-CZ 3.55Å; P229-F231 PolarHBondContact O-N 3.16Å; P229-Y245 HydrophobicContact CB-CD2 3.86Å; P229-Y245 HydrophobicContact CB-CE2 4.21Å; P229-R246 CarbonylContact C-O 3.51Å; P229-R246 VanDerWaalsContact CA-O 3.22Å; P229-R246 WeakPolarHBondContact CA-O 3.44Å; P229-E247 HydrophobicContact CB-CB 4.18Å | ||
| 230 | H | 97 | Very high | 93.2 | Very high | 73 Ų | 73 | 48.3 Ų | 48.3 | 34% | 0.338 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 102 | 174.5 | -69 | -88.4 | 0 | 0 | 0 | 110.1 | T177 E228 Y245 R246 | T177-H230 VanDerWaalsContact OG1-CA 3.29Å; T177-H230 WeakPolarHBondContact OG1-CA 3.11Å; T177-H230 WeakPolarHBondContact OG1-CB 3.37Å; T177-H230 PolarHBondContact OG1-ND1 3.08Å; T177-H230 VanDerWaalsContact OG1-ND1 3.13Å; E228-H230 PolarHBondContact O-N 3.29Å; H230-Y245 WeakPolarHBondContact O-CA 3.4Å; H230-Y245 WeakPolarHBondContact O-CB 3.44Å; H230-R246 HydrophobicContact CB-CG 3.76Å; H230-R246 PolarHBondContact CD2-NE 3.42Å; H230-R246 VanDerWaalsContact CD2-NE 3.28Å; H230-R246 PolarHBondContact CD2-NH2 2.94Å; H230-R246 PolarHBondContact CE1-NH2 2.83Å; H230-R246 PolarHBondContact N-O 3.19Å; H230-R246 PolarHBondContact ND1-NH2 3.26Å; H230-R246 PolarHBondContact NE2-NH2 2.78Å; H230-R246 PolarHBondContact O-N 3.11Å; H230-R246 VanDerWaalsContact O-N 3.1Å |
| 231 | F | 98.1 | Very high | 93.6 | Very high | 4 Ų | 4 | 41.1 Ų | 41.1 | 2% | 0.018 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 126.8 | 173.1 | -50.4 | -70.5 | 0 | 0 | 0 | 110.7 | T177 V179 A193 I205 L225 P229 Y245 | T177-F231 WeakPolarHBondContact CB-O 3.48Å; V179-F231 HydrophobicContact CB-CB 4.42Å; V179-F231 HydrophobicContact CG2-CB 3.75Å; A193-F231 HydrophobicContact CB-CB 3.87Å; A193-F231 HydrophobicContact CB-CD1 3.55Å; A193-F231 HydrophobicContact CB-CD2 3.79Å; A193-F231 HydrophobicContact CB-CE1 3.95Å; A193-F231 HydrophobicContact CB-CE2 4.16Å; A193-F231 HydrophobicContact CB-CG 3.44Å; A193-F231 VanDerWaalsContact CB-CG 3.44Å; A193-F231 HydrophobicContact CB-CZ 4.22Å; A193-F231 WeakPolarHBondContact O-CD2 3.47Å; I205-F231 HydrophobicContact CD1-CE1 3.98Å; I205-F231 HydrophobicContact CG1-CD1 4.36Å; I205-F231 HydrophobicContact CG1-CE1 3.68Å; I205-F231 HydrophobicContact CG1-CZ 4.15Å; L225-F231 HydrophobicContact CD1-CZ 4.13Å; L225-F231 HydrophobicContact CD2-CE1 4.15Å; L225-F231 HydrophobicContact CD2-CZ 4.41Å; P229-F231 HydrophobicContact CB-CE1 4.16Å; P229-F231 HydrophobicContact CB-CZ 4.08Å; P229-F231 HydrophobicContact CG-CE1 4.12Å; P229-F231 HydrophobicContact CG-CE2 3.99Å; P229-F231 HydrophobicContact CG-CZ 3.55Å; P229-F231 PolarHBondContact O-N 3.16Å; F231-Y245 HydrophobicContact CD1-CD2 4.44Å; F231-Y245 HydrophobicContact CD1-CG 4.05Å; F231-Y245 HydrophobicContact CE1-CD2 4.35Å; F231-Y245 HydrophobicContact CE1-CG 4.32Å |
| 232 | L | 97.5 | Very high | 93.8 | Very high | 42 Ų | 42 | 39 Ų | 39 | 22% | 0.22 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | -38.3 | -170.8 | -60.8 | 172.9 | 0 | 0 | 0 | 113.2 | T177 F244 L305 | T177-L232 HydrophobicContact CG2-CD2 4.36Å; L232-F244 PolarHBondContact N-O 2.76Å; L232-L305 HydrophobicContact CD1-CB 4.11Å; L232-L305 HydrophobicContact CD1-CD2 3.93Å; L232-L305 HydrophobicContact CD1-CG 3.67Å; L232-L305 WeakPolarHBondContact CD1-O 3.01Å |
| 233 | H | 97.4 | Very high | 94.1 | Very high | 31 Ų | 31 | 36.1 Ų | 36.1 | 14% | 0.144 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.5 | 162.1 | 179.3 | -173.1 | 68.4 | 0 | 0 | 0 | 111.8 | V179 F244 I308 T309 D310 | V179-H233 VanDerWaalsContact CG2-N 3.35Å; H233-F244 HydrophobicContact CB-CB 4.42Å; H233-F244 HydrophobicContact CB-CD2 4.45Å; H233-F244 AromaticContact CD2-CD2 3.99Å; H233-F244 PolarHBondContact N-O 3.48Å; H233-F244 PolarHBondContact O-N 2.83Å; H233-I308 HydrophobicContact CB-CG2 3.3Å; H233-T309 PolarHBondContact CD2-O 3.18Å; H233-D310 IonicContact CE1-OD1 4Å; H233-D310 PolarHBondContact CE1-OD1 3.35Å; H233-D310 VanDerWaalsContact CE1-OD1 3.27Å; H233-D310 WeakPolarHBondContact NE2-CA 3.5Å; H233-D310 IonicContact NE2-OD1 2.6Å |
| 234 | A | 97.3 | Very high | 94.4 | Very high | 6 Ų | 6 | 33.7 Ų | 33.7 | 5% | 0.05 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 144.4 | 165.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | V179 V241 Y242 F243 | V179-A234 HydrophobicContact CG1-CB 3.47Å; V179-A234 VanDerWaalsContact CG1-CB 3.47Å; A234-V241 HydrophobicContact CB-CG1 4.5Å; A234-Y242 CarbonylContact C-O 3.59Å; A234-Y242 WeakPolarHBondContact CA-O 3.26Å; A234-Y242 WeakPolarHBondContact CB-O 3.46Å; A234-F243 HydrophobicContact CB-CD1 3.74Å; A234-F243 HydrophobicContact CB-CE1 4.01Å; A234-F243 HydrophobicContact CB-CG 4.16Å |
| 235 | A | 95.7 | Very high | 94.5 | Very high | 8 Ų | 8 | 33.7 Ų | 33.7 | 7% | 0.066 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 149.1 | -177.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | V241 Y242 I311 | A235-V241 WeakPolarHBondContact O-CA 3.48Å; A235-Y242 PolarHBondContact N-O 2.86Å; A235-Y242 PolarHBondContact O-N 2.68Å; A235-I311 HydrophobicContact CB-CD1 3.77Å; A235-I311 HydrophobicContact CB-CG1 3.91Å |
| 236 | E | 94.3 | Very high | 94.6 | Very high | 74 Ų | 74 | 34.4 Ų | 34.4 | 35% | 0.346 | 19% | 0.186 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 130.4 | 170.9 | 179.5 | 173.4 | 171.4 | 0 | 0 | 110.1 | A183 G184 K268 | A183-E236 WeakPolarHBondContact CA-OE2 3.5Å; A183-E236 HydrophobicContact CB-CB 4.35Å; A183-E236 HydrophobicContact CB-CG 4.48Å; A183-E236 VanDerWaalsContact CB-OE2 3.28Å; A183-E236 WeakPolarHBondContact CB-OE2 3.45Å; G184-E236 PolarHBondContact N-OE2 3.46Å; E236-K268 HydrophobicContact CG-CD 3.99Å; E236-K268 VanDerWaalsContact OE1-CD 3.26Å; E236-K268 WeakPolarHBondContact OE1-CD 3.39Å; E236-K268 WeakPolarHBondContact OE1-CE 3.5Å; E236-K268 IonicContact OE1-NZ 3.55Å; E236-K268 PolarHBondContact OE1-NZ 3.49Å |
| 237 | F | 95 | Very high | 94.9 | Very high | 60 Ų | 60 | 32.6 Ų | 32.6 | 26% | 0.263 | 18% | 0.179 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.1 | 133.3 | 174.7 | -173.2 | -96.5 | 0 | 0 | 0 | 111.8 | N239 Y240 Y242 I311 P318 M341 | F237-N239 PolarHBondContact O-N 3.45Å; F237-Y240 PolarHBondContact N-O 3.49Å; F237-Y240 PolarHBondContact O-N 2.89Å; F237-Y240 VanDerWaalsContact O-O 3.11Å; F237-Y242 HydrophobicContact CB-CD2 3.98Å; F237-Y242 HydrophobicContact CB-CE2 3.8Å; F237-Y242 HydrophobicContact CD1-CE2 4.22Å; F237-Y242 HydrophobicContact CG-CE2 4.49Å; F237-I311 HydrophobicContact CB-CD1 3.56Å; F237-I311 HydrophobicContact CD2-CD1 3.86Å; F237-I311 HydrophobicContact CD2-CG2 4.38Å; F237-I311 HydrophobicContact CG-CD1 3.97Å; F237-P318 HydrophobicContact CE2-CB 3.92Å; F237-P318 HydrophobicContact CE2-CG 4.44Å; F237-P318 HydrophobicContact CZ-CB 4.27Å; F237-M341 HydrophobicContact CB-CE 3.99Å; F237-M341 HydrophobicContact CD1-CB 4.31Å; F237-M341 HydrophobicContact CD1-CE 3.76Å; F237-M341 HydrophobicContact CD1-CG 4.49Å; F237-M341 HydrophobicContact CD2-CG 4.39Å; F237-M341 HydrophobicContact CE1-CB 3.82Å; F237-M341 HydrophobicContact CE1-CE 4.4Å; F237-M341 HydrophobicContact CE1-CG 4.36Å; F237-M341 HydrophobicContact CE2-CB 4.36Å; F237-M341 HydrophobicContact CE2-CG 4.26Å; F237-M341 HydrophobicContact CG-CE 3.88Å; F237-M341 HydrophobicContact CZ-CB 3.85Å; F237-M341 HydrophobicContact CZ-CG 4.24Å |
| 238 | G | 93.4 | Very high | 95.7 | Very high | 50 Ų | 50 | 31.8 Ų | 31.8 | 52% | 0.515 | 17% | 0.166 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.3 | -121.3 | -175.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | K268 | G238-K268 WeakPolarHBondContact O-CE 3.27Å; G238-K268 PolarHBondContact O-NZ 3.49Å |
| 239 | N | 93.4 | Very high | 96.3 | Very high | 66 Ų | 66 | 25 Ų | 25 | 35% | 0.353 | 13% | 0.134 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.3 | 7.7 | 178.2 | -73 | -24 | 0 | 0 | 0 | 114.2 | F237 K268 H381 | F237-N239 PolarHBondContact O-N 3.45Å; N239-K268 VanDerWaalsContact C-CE 3.43Å; N239-K268 PolarHBondContact O-N 3.08Å; N239-H381 PolarHBondContact ND2-CD2 3.29Å; N239-H381 PolarHBondContact ND2-NE2 3.23Å |
| 240 | Y | 96 | Very high | 96.2 | Very high | 26 Ų | 26 | 24.9 Ų | 24.9 | 10% | 0.102 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 160.1 | -167.1 | -55.6 | -83 | 0 | 0 | 0 | 113.3 | F237 Y242 R265 I266 C267 C378 | F237-Y240 PolarHBondContact N-O 3.49Å; F237-Y240 PolarHBondContact O-N 2.89Å; F237-Y240 VanDerWaalsContact O-O 3.11Å; Y240-Y242 HydrophobicContact CD2-CE2 4.49Å; Y240-Y242 HydrophobicContact CG-CE2 4.46Å; Y240-R265 VanDerWaalsContact CD1-CD 3.47Å; Y240-R265 HydrophobicContact CD1-CG 3.47Å; Y240-R265 VanDerWaalsContact CD1-CG 3.47Å; Y240-R265 HydrophobicContact CD2-CG 4.38Å; Y240-R265 HydrophobicContact CE1-CG 4.16Å; Y240-R265 VanDerWaalsContact CE1-CZ 3.49Å; Y240-R265 VanDerWaalsContact CE1-NE 3.26Å; Y240-R265 HydrophobicContact CG-CG 3.59Å; Y240-R265 VanDerWaalsContact CZ-CZ 3.4Å; Y240-R265 PolarHBondContact OH-NH2 3.24Å; Y240-I266 CarbonylContact C-O 3.58Å; Y240-I266 WeakPolarHBondContact CA-O 3.23Å; Y240-I266 WeakPolarHBondContact CB-O 3.49Å; Y240-C267 VanDerWaalsContact CE1-SG 3.5Å; Y240-C378 WeakPolarHBondContact CE1-SG 3.32Å |
| 241 | V | 97.2 | Very high | 95.8 | Very high | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 130.6 | 158.7 | -177 | 0 | 0 | 0 | 0 | 107.7 | L181 A183 Y191 A234 A235 F243 I266 K268 | L181-V241 HydrophobicContact CD2-CG1 4.27Å; A183-V241 HydrophobicContact CB-CG2 3.71Å; Y191-V241 HydrophobicContact CD1-CB 4.18Å; Y191-V241 HydrophobicContact CD1-CG1 4.26Å; Y191-V241 HydrophobicContact CD1-CG2 3.99Å; Y191-V241 HydrophobicContact CD2-CG2 4.16Å; Y191-V241 HydrophobicContact CE1-CB 4.29Å; Y191-V241 HydrophobicContact CE1-CG2 3.88Å; Y191-V241 HydrophobicContact CE2-CG2 4.06Å; Y191-V241 HydrophobicContact CG-CG1 4.36Å; Y191-V241 HydrophobicContact CG-CG2 4.14Å; A234-V241 HydrophobicContact CB-CG1 4.5Å; A235-V241 WeakPolarHBondContact O-CA 3.48Å; V241-F243 HydrophobicContact CB-CE2 4.24Å; V241-F243 HydrophobicContact CG1-CD2 4.24Å; V241-F243 HydrophobicContact CG1-CE2 3.69Å; V241-F243 HydrophobicContact CG1-CZ 4.09Å; V241-I266 PolarHBondContact N-O 3.49Å; V241-I266 PolarHBondContact O-N 2.97Å; V241-K268 HydrophobicContact CG2-CG 3.96Å |
| 242 | Y | 98.5 | Very high | 95.2 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 137.4 | 178.3 | -68.6 | -91.5 | 0 | 0 | 0 | 109.9 | A234 A235 F237 Y240 V263 A264 R265 M341 I344 E345 F348 | A234-Y242 CarbonylContact C-O 3.59Å; A234-Y242 WeakPolarHBondContact CA-O 3.26Å; A234-Y242 WeakPolarHBondContact CB-O 3.46Å; A235-Y242 PolarHBondContact N-O 2.86Å; A235-Y242 PolarHBondContact O-N 2.68Å; F237-Y242 HydrophobicContact CB-CD2 3.98Å; F237-Y242 HydrophobicContact CB-CE2 3.8Å; F237-Y242 HydrophobicContact CD1-CE2 4.22Å; F237-Y242 HydrophobicContact CG-CE2 4.49Å; Y240-Y242 HydrophobicContact CD2-CE2 4.49Å; Y240-Y242 HydrophobicContact CG-CE2 4.46Å; Y242-V263 HydrophobicContact CD1-CG2 3.93Å; Y242-A264 CarbonylContact C-O 3.55Å; Y242-A264 VanDerWaalsContact CA-O 3.26Å; Y242-A264 WeakPolarHBondContact CA-O 3.31Å; Y242-R265 HydrophobicContact CD1-CB 3.99Å; Y242-R265 HydrophobicContact CD1-CG 3.94Å; Y242-R265 HydrophobicContact CE1-CB 3.85Å; Y242-R265 VanDerWaalsContact CE1-CD 3.45Å; Y242-R265 HydrophobicContact CE1-CG 3.49Å; Y242-R265 VanDerWaalsContact CE1-CG 3.49Å; Y242-R265 HydrophobicContact CE2-CG 4.38Å; Y242-R265 VanDerWaalsContact OH-CD 3.26Å; Y242-R265 WeakPolarHBondContact OH-CD 3.17Å; Y242-M341 HydrophobicContact CD1-CE 4.24Å; Y242-M341 HydrophobicContact CD2-CE 3.73Å; Y242-M341 HydrophobicContact CE1-CE 4.11Å; Y242-M341 HydrophobicContact CE2-CE 3.59Å; Y242-M341 HydrophobicContact CG-CE 4.06Å; Y242-I344 HydrophobicContact CD1-CG2 4.01Å; Y242-I344 HydrophobicContact CE1-CG2 3.62Å; Y242-E345 WeakPolarHBondContact OH-CG 3.46Å; Y242-E345 PolarHBondContact OH-OE1 2.88Å; Y242-F348 HydrophobicContact CD1-CE2 4.27Å; Y242-F348 HydrophobicContact CE1-CD2 4.21Å; Y242-F348 AromaticContact CE1-CE2 3.88Å; Y242-F348 HydrophobicContact CE1-CE2 3.88Å |
| 243 | F | 98.7 | Very high | 94.3 | Very high | 2 Ų | 2 | 26.3 Ų | 26.3 | 1% | 0.009 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 129 | 178.7 | -70.7 | -97.5 | 0 | 0 | 0 | 110.4 | Y191 A193 I205 A234 V241 V263 A264 I266 | Y191-F243 HydrophobicContact CD1-CE2 4.37Å; Y191-F243 HydrophobicContact CD1-CZ 4.15Å; A193-F243 HydrophobicContact CB-CD1 3.95Å; A193-F243 HydrophobicContact CB-CE1 3.97Å; I205-F243 HydrophobicContact CD1-CB 4.33Å; I205-F243 HydrophobicContact CD1-CG 4.3Å; I205-F243 HydrophobicContact CG1-CD1 4.44Å; I205-F243 HydrophobicContact CG2-CD1 4.05Å; I205-F243 HydrophobicContact CG2-CD2 4.06Å; I205-F243 HydrophobicContact CG2-CE1 3.64Å; I205-F243 HydrophobicContact CG2-CE2 3.65Å; I205-F243 HydrophobicContact CG2-CG 4.24Å; I205-F243 HydrophobicContact CG2-CZ 3.4Å; I205-F243 VanDerWaalsContact CG2-CZ 3.4Å; A234-F243 HydrophobicContact CB-CD1 3.74Å; A234-F243 HydrophobicContact CB-CE1 4.01Å; A234-F243 HydrophobicContact CB-CG 4.16Å; V241-F243 HydrophobicContact CB-CE2 4.24Å; V241-F243 HydrophobicContact CG1-CD2 4.24Å; V241-F243 HydrophobicContact CG1-CE2 3.69Å; V241-F243 HydrophobicContact CG1-CZ 4.09Å; F243-V263 CarbonylContact O-C 3.52Å; F243-V263 WeakPolarHBondContact O-CA 3.16Å; F243-A264 HydrophobicContact CB-CB 4.5Å; F243-A264 PolarHBondContact N-O 2.8Å; F243-A264 PolarHBondContact O-N 2.88Å; F243-I266 HydrophobicContact CD2-CD1 4.21Å; F243-I266 HydrophobicContact CD2-CG1 4.49Å; F243-I266 HydrophobicContact CE2-CD1 3.81Å; F243-I266 HydrophobicContact CE2-CG1 4.33Å |
| 244 | F | 98.8 | Very high | 93.4 | Very high | 1 Ų | 1 | 29.6 Ų | 29.6 | 0% | 0.004 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 123.2 | -178.7 | -59.4 | -83.8 | 0 | 0 | 0 | 110.3 | L232 H233 R262 V263 L290 L305 I308 V320 I344 | L232-F244 PolarHBondContact N-O 2.76Å; H233-F244 HydrophobicContact CB-CB 4.42Å; H233-F244 HydrophobicContact CB-CD2 4.45Å; H233-F244 AromaticContact CD2-CD2 3.99Å; H233-F244 PolarHBondContact N-O 3.48Å; H233-F244 PolarHBondContact O-N 2.83Å; F244-R262 WeakPolarHBondContact CA-O 3.42Å; F244-V263 HydrophobicContact CD1-CB 3.88Å; F244-V263 HydrophobicContact CD1-CG2 3.9Å; F244-V263 HydrophobicContact CE1-CB 3.75Å; F244-V263 HydrophobicContact CE1-CG2 3.44Å; F244-V263 VanDerWaalsContact CE1-CG2 3.44Å; F244-V263 HydrophobicContact CZ-CG2 3.96Å; F244-L290 HydrophobicContact CD1-CD1 4.33Å; F244-L305 HydrophobicContact CB-CD2 4.38Å; F244-I308 HydrophobicContact CB-CD1 4.08Å; F244-I308 HydrophobicContact CB-CG2 3.93Å; F244-I308 HydrophobicContact CD1-CD1 3.45Å; F244-I308 VanDerWaalsContact CD1-CD1 3.45Å; F244-I308 HydrophobicContact CD2-CD1 4.23Å; F244-I308 HydrophobicContact CE1-CD1 3.84Å; F244-I308 HydrophobicContact CG-CD1 3.66Å; F244-I308 HydrophobicContact CG-CG2 4.29Å; F244-I308 HydrophobicContact CZ-CD1 4.38Å; F244-V320 HydrophobicContact CE1-CG2 4.02Å; F244-V320 HydrophobicContact CE2-CG1 4.38Å; F244-V320 HydrophobicContact CZ-CG1 4.05Å; F244-V320 HydrophobicContact CZ-CG2 4.02Å; F244-I344 HydrophobicContact CE1-CD1 4.46Å |
| 245 | Y | 98.6 | Very high | 92.5 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.8 | 175 | -172 | 69.7 | -81.2 | 0 | 0 | 0 | 111.9 | I205 L225 P229 H230 F231 E247 R262 A264 K287 | I205-Y245 HydrophobicContact CD1-CE1 4.47Å; L225-Y245 HydrophobicContact CD2-CE2 3.7Å; P229-Y245 HydrophobicContact CB-CD2 3.86Å; P229-Y245 HydrophobicContact CB-CE2 4.21Å; H230-Y245 WeakPolarHBondContact O-CA 3.4Å; H230-Y245 WeakPolarHBondContact O-CB 3.44Å; F231-Y245 HydrophobicContact CD1-CD2 4.44Å; F231-Y245 HydrophobicContact CD1-CG 4.05Å; F231-Y245 HydrophobicContact CE1-CD2 4.35Å; F231-Y245 HydrophobicContact CE1-CG 4.32Å; Y245-E247 HydrophobicContact CD2-CB 4.31Å; Y245-E247 HydrophobicContact CE2-CB 4.03Å; Y245-E247 HydrophobicContact CE2-CG 4.07Å; Y245-R262 HydrophobicContact CD1-CB 3.91Å; Y245-R262 HydrophobicContact CD2-CB 4.28Å; Y245-R262 HydrophobicContact CD2-CG 4.41Å; Y245-R262 HydrophobicContact CE1-CB 3.65Å; Y245-R262 HydrophobicContact CE1-CG 4.38Å; Y245-R262 HydrophobicContact CE2-CB 4.06Å; Y245-R262 HydrophobicContact CE2-CG 3.97Å; Y245-R262 HydrophobicContact CG-CB 4.21Å; Y245-R262 PolarHBondContact N-O 2.77Å; Y245-R262 VanDerWaalsContact N-O 3.12Å; Y245-R262 PolarHBondContact O-N 3.12Å; Y245-A264 HydrophobicContact CE1-CB 3.83Å; Y245-K287 WeakPolarHBondContact OH-CD 3.09Å |
| 246 | R | 97.7 | Very high | 91.9 | Very high | 29 Ų | 29 | 37.4 Ų | 37.4 | 11% | 0.109 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 144.4 | 169.2 | 58.2 | 173.2 | -171.1 | -96.2 | -5.6 | 110.5 | P229 H230 V259 Y260 L305 | P229-R246 CarbonylContact C-O 3.51Å; P229-R246 VanDerWaalsContact CA-O 3.22Å; P229-R246 WeakPolarHBondContact CA-O 3.44Å; H230-R246 HydrophobicContact CB-CG 3.76Å; H230-R246 PolarHBondContact CD2-NE 3.42Å; H230-R246 VanDerWaalsContact CD2-NE 3.28Å; H230-R246 PolarHBondContact CD2-NH2 2.94Å; H230-R246 PolarHBondContact CE1-NH2 2.83Å; H230-R246 PolarHBondContact N-O 3.19Å; H230-R246 PolarHBondContact ND1-NH2 3.26Å; H230-R246 PolarHBondContact NE2-NH2 2.78Å; H230-R246 PolarHBondContact O-N 3.11Å; H230-R246 VanDerWaalsContact O-N 3.1Å; R246-V259 HydrophobicContact CB-CG1 3.91Å; R246-V259 HydrophobicContact CG-CG1 4.29Å; R246-Y260 WeakPolarHBondContact CA-O 3.38Å; R246-L305 WeakPolarHBondContact CD-O 3.02Å; R246-L305 PolarHBondContact NH1-O 3.02Å |
| 247 | E | 96.2 | Very high | 91.6 | Very high | 4 Ų | 4 | 43 Ų | 43 | 2% | 0.019 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 168.5 | -178.5 | 64.6 | 173.2 | -172.3 | 0 | 0 | 110.8 | K226 P229 Y245 A249 V259 Y260 R262 K287 | K226-E247 PolarHBondContact N-OE2 2.82Å; P229-E247 HydrophobicContact CB-CB 4.18Å; Y245-E247 HydrophobicContact CD2-CB 4.31Å; Y245-E247 HydrophobicContact CE2-CB 4.03Å; Y245-E247 HydrophobicContact CE2-CG 4.07Å; E247-A249 PolarHBondContact O-N 2.69Å; E247-V259 CarbonylContact O-C 3.58Å; E247-V259 WeakPolarHBondContact O-CA 3.5Å; E247-Y260 PolarHBondContact N-O 3.38Å; E247-Y260 PolarHBondContact O-N 3.36Å; E247-R262 HydrophobicContact CG-CG 3.89Å; E247-R262 IonicContact OE1-CZ 3.12Å; E247-R262 VanDerWaalsContact OE1-CZ 3.3Å; E247-R262 IonicContact OE1-NE 2.72Å; E247-R262 PolarHBondContact OE1-NE 2.76Å; E247-R262 IonicContact OE1-NH2 2.85Å; E247-R262 PolarHBondContact OE1-NH2 3.06Å; E247-K287 WeakPolarHBondContact OE1-CE 3.38Å; E247-K287 IonicContact OE1-NZ 3.59Å; E247-K287 PolarHBondContact OE1-NZ 3.45Å; E247-K287 IonicContact OE2-NZ 2.8Å; E247-K287 PolarHBondContact OE2-NZ 2.96Å |
| 248 | I | 95 | Very high | 91.4 | Very high | 39 Ų | 39 | 41.7 Ų | 41.7 | 20% | 0.2 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 128.6 | 168.9 | -56.9 | -173.5 | 0 | 0 | 0 | 109.2 | K226 A227 | K226-I248 WeakPolarHBondContact CB-O 3.07Å; K226-I248 HydrophobicContact CD-CB 4.47Å; K226-I248 WeakPolarHBondContact CD-O 3.28Å; K226-I248 HydrophobicContact CG-CB 4.25Å; K226-I248 PolarHBondContact O-N 3.41Å; A227-I248 HydrophobicContact CB-CD1 3.8Å; A227-I248 HydrophobicContact CB-CG1 4.18Å |
| 249 | A | 94 | Very high | 91.5 | Very high | 1 Ų | 1 | 41.2 Ų | 41.2 | 1% | 0.008 | 22% | 0.217 | C | C | . | . | trans | -57.2 | 139.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | K226 E247 E251 H252 V258 Y260 | K226-A249 PolarHBondContact NZ-O 3.04Å; E247-A249 PolarHBondContact O-N 2.69Å; A249-E251 WeakPolarHBondContact CA-OE2 3.42Å; A249-H252 HydrophobicContact CB-CB 3.91Å; A249-V258 WeakPolarHBondContact CB-O 3.18Å; A249-V258 PolarHBondContact N-O 3Å; A249-Y260 HydrophobicContact CB-CD2 3.63Å; A249-Y260 HydrophobicContact CB-CE2 3.99Å; A249-Y260 HydrophobicContact CB-CG 4Å | ||
| 250 | V | 89.9 | Confident | 91.7 | Very high | 7 Ų | 7 | 39 Ų | 39 | 4% | 0.042 | 20% | 0.204 | C | C | . | . | S | Bend | trans | -90.2 | -36 | 168.2 | -76.6 | 0 | 0 | 0 | 0 | 110.7 | S222 K226 H252 S253 W362 L406 | S222-V250 VanDerWaalsContact O-CG1 3.25Å; S222-V250 WeakPolarHBondContact O-CG1 3.49Å; K226-V250 HydrophobicContact CB-CG1 4.42Å; K226-V250 HydrophobicContact CD-CG1 3.48Å; K226-V250 VanDerWaalsContact CD-CG1 3.48Å; V250-H252 PolarHBondContact O-N 2.93Å; V250-S253 PolarHBondContact O-OG 2.85Å; V250-W362 HydrophobicContact CB-CH2 4Å; V250-W362 HydrophobicContact CB-CZ2 3.71Å; V250-W362 HydrophobicContact CG2-CH2 3.71Å; V250-W362 HydrophobicContact CG2-CZ2 3.89Å; V250-W362 HydrophobicContact CG2-CZ3 4.34Å; V250-W362 PolarHBondContact O-NE1 2.94Å; V250-L406 HydrophobicContact CG2-CD2 3.82Å |
| 251 | E | 89.6 | Confident | 91.8 | Very high | 31 Ų | 31 | 37.8 Ų | 37.8 | 15% | 0.145 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.8 | -1.9 | -179.3 | 65.2 | -91.5 | -119.5 | 0 | 0 | 114.5 | A249 Y260 R262 K353 W362 L406 | A249-E251 WeakPolarHBondContact CA-OE2 3.42Å; E251-Y260 HydrophobicContact CG-CD2 4.26Å; E251-Y260 HydrophobicContact CG-CE2 3.81Å; E251-R262 VanDerWaalsContact CD-NH2 3.34Å; E251-R262 IonicContact OE1-CZ 2.66Å; E251-R262 VanDerWaalsContact OE1-CZ 3.3Å; E251-R262 IonicContact OE1-NH1 2.67Å; E251-R262 PolarHBondContact OE1-NH1 2.81Å; E251-R262 IonicContact OE1-NH2 2.74Å; E251-R262 PolarHBondContact OE1-NH2 2.97Å; E251-R262 IonicContact OE2-CZ 2.85Å; E251-R262 IonicContact OE2-NH1 3.15Å; E251-R262 IonicContact OE2-NH2 2.67Å; E251-R262 PolarHBondContact OE2-NH2 2.69Å; E251-K353 HydrophobicContact CB-CD 4.44Å; E251-W362 HydrophobicContact CB-CB 4.44Å; E251-W362 HydrophobicContact CB-CD2 4.19Å; E251-W362 HydrophobicContact CB-CG 4.07Å; E251-L406 HydrophobicContact CB-CD2 4.43Å |
| 252 | H | 84.6 | Confident | 91.9 | Very high | 65 Ų | 65 | 37.8 Ų | 37.8 | 30% | 0.301 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -131.5 | 5 | -178.2 | -115.6 | 60.4 | 0 | 0 | 0 | 114.4 | A249 V250 N254 L255 G256 | A249-H252 HydrophobicContact CB-CB 3.91Å; V250-H252 PolarHBondContact O-N 2.93Å; H252-N254 PolarHBondContact O-N 3.49Å; H252-L255 PolarHBondContact O-N 2.87Å; H252-G256 PolarHBondContact O-N 3.1Å |
| 253 | S | 79.9 | Confident | 91.9 | Very high | 53 Ų | 53 | 37.8 Ų | 37.8 | 37% | 0.371 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | -27.9 | -175.9 | 48 | 0 | 0 | 0 | 0 | 114.6 | V250 L255 | V250-S253 PolarHBondContact O-OG 2.85Å; S253-L255 VanDerWaalsContact C-N 3.25Å; S253-L255 PolarHBondContact O-N 3.49Å |
| 254 | N | 77.4 | Confident | 91.9 | Very high | 99 Ų | 99 | 37.7 Ų | 37.7 | 53% | 0.529 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.6 | -13 | -175.5 | -56.2 | 16.5 | 0 | 0 | 0 | 112.1 | H252 | H252-N254 PolarHBondContact O-N 3.49Š|
| 255 | L | 79.3 | Confident | 91.8 | Very high | 146 Ų | 146 | 37.8 Ų | 37.8 | 76% | 0.764 | 20% | 0.2 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -111 | -13.2 | 176.7 | -61.3 | 176.7 | 0 | 0 | 0 | 112.7 | H252 S253 | H252-L255 PolarHBondContact O-N 2.87Å; S253-L255 VanDerWaalsContact C-N 3.25Å; S253-L255 PolarHBondContact O-N 3.49Å |
| 256 | G | 82.3 | Confident | 91.7 | Very high | 33 Ų | 33 | 37.8 Ų | 37.8 | 34% | 0.34 | 20% | 0.2 | S | C | . | . | trans | 153.7 | -169.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | H252 | H252-G256 PolarHBondContact O-N 3.1Š| ||
| 257 | K | 87.9 | Confident | 91.7 | Very high | 190 Ų | 190 | 36.5 Ų | 36.5 | 83% | 0.826 | 20% | 0.195 | S | C | * | . | trans | -93.9 | 96.5 | 170 | -67.8 | -178.4 | -178.4 | 178.6 | 0 | 109.1 | ||||
| 258 | V | 91.5 | Very high | 91.6 | Very high | 33 Ų | 33 | 38 Ų | 38 | 20% | 0.2 | 20% | 0.201 | C | C | . | . | trans | -107.9 | 133.2 | 174.7 | -175 | 0 | 0 | 0 | 0 | 108.8 | A249 Y260 | A249-V258 WeakPolarHBondContact CB-O 3.18Å; A249-V258 PolarHBondContact N-O 3Å; V258-Y260 HydrophobicContact CG1-CD1 3.9Å; V258-Y260 HydrophobicContact CG1-CE1 3.67Å | ||
| 259 | V | 95.5 | Very high | 91.5 | Very high | 40 Ų | 40 | 38.7 Ų | 38.7 | 24% | 0.242 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 132.1 | 171.1 | 176.3 | 0 | 0 | 0 | 0 | 108.6 | R246 E247 D303 V304 Q327 | R246-V259 HydrophobicContact CB-CG1 3.91Å; R246-V259 HydrophobicContact CG-CG1 4.29Å; E247-V259 CarbonylContact O-C 3.58Å; E247-V259 WeakPolarHBondContact O-CA 3.5Å; V259-D303 WeakPolarHBondContact O-CB 3.38Å; V259-V304 HydrophobicContact CB-CG2 4.36Å; V259-V304 HydrophobicContact CG1-CG2 4.4Å; V259-Q327 PolarHBondContact O-NE2 3.24Å |
| 260 | Y | 96.9 | Very high | 91.5 | Very high | 20 Ų | 20 | 38.8 Ų | 38.8 | 8% | 0.078 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 145.1 | 173.9 | -81.1 | -10.7 | 0 | 0 | 0 | 111.5 | R246 E247 A249 E251 V258 R289 D303 | R246-Y260 WeakPolarHBondContact CA-O 3.38Å; E247-Y260 PolarHBondContact N-O 3.38Å; E247-Y260 PolarHBondContact O-N 3.36Å; A249-Y260 HydrophobicContact CB-CD2 3.63Å; A249-Y260 HydrophobicContact CB-CE2 3.99Å; A249-Y260 HydrophobicContact CB-CG 4Å; E251-Y260 HydrophobicContact CG-CD2 4.26Å; E251-Y260 HydrophobicContact CG-CE2 3.81Å; V258-Y260 HydrophobicContact CG1-CD1 3.9Å; V258-Y260 HydrophobicContact CG1-CE1 3.67Å; Y260-R289 HydrophobicContact CD2-CG 4.38Å; Y260-D303 HydrophobicContact CD1-CB 4.1Å; Y260-D303 VanDerWaalsContact CD1-CG 3.48Å; Y260-D303 VanDerWaalsContact CD1-OD1 3.22Å; Y260-D303 WeakPolarHBondContact CD1-OD1 3.35Å; Y260-D303 WeakPolarHBondContact CE1-OD1 3.44Å; Y260-D303 WeakPolarHBondContact CE1-OD2 3.28Å |
| 261 | S | 98.4 | Very high | 91.7 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 140 | 172.7 | -62.6 | 0 | 0 | 0 | 0 | 111.8 | R289 L290 D303 L305 | S261-R289 WeakPolarHBondContact O-CA 3.42Å; S261-L290 PolarHBondContact O-N 2.96Å; S261-D303 WeakPolarHBondContact CB-O 3.29Å; S261-D303 PolarHBondContact N-O 3.41Å; S261-D303 PolarHBondContact OG-O 2.91Å; S261-L305 WeakPolarHBondContact OG-CB 3.33Å; S261-L305 PolarHBondContact OG-N 3.14Å |
| 262 | R | 98.4 | Very high | 92 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 144.7 | -172.7 | -59.8 | -59 | -164.6 | -159 | -0.9 | 112.1 | F244 Y245 E247 E251 A288 | F244-R262 WeakPolarHBondContact CA-O 3.42Å; Y245-R262 HydrophobicContact CD1-CB 3.91Å; Y245-R262 HydrophobicContact CD2-CB 4.28Å; Y245-R262 HydrophobicContact CD2-CG 4.41Å; Y245-R262 HydrophobicContact CE1-CB 3.65Å; Y245-R262 HydrophobicContact CE1-CG 4.38Å; Y245-R262 HydrophobicContact CE2-CB 4.06Å; Y245-R262 HydrophobicContact CE2-CG 3.97Å; Y245-R262 HydrophobicContact CG-CB 4.21Å; Y245-R262 PolarHBondContact N-O 2.77Å; Y245-R262 VanDerWaalsContact N-O 3.12Å; Y245-R262 PolarHBondContact O-N 3.12Å; E247-R262 HydrophobicContact CG-CG 3.89Å; E247-R262 IonicContact OE1-CZ 3.12Å; E247-R262 VanDerWaalsContact OE1-CZ 3.3Å; E247-R262 IonicContact OE1-NE 2.72Å; E247-R262 PolarHBondContact OE1-NE 2.76Å; E247-R262 IonicContact OE1-NH2 2.85Å; E247-R262 PolarHBondContact OE1-NH2 3.06Å; E251-R262 VanDerWaalsContact CD-NH2 3.34Å; E251-R262 IonicContact OE1-CZ 2.66Å; E251-R262 VanDerWaalsContact OE1-CZ 3.3Å; E251-R262 IonicContact OE1-NH1 2.67Å; E251-R262 PolarHBondContact OE1-NH1 2.81Å; E251-R262 IonicContact OE1-NH2 2.74Å; E251-R262 PolarHBondContact OE1-NH2 2.97Å; E251-R262 IonicContact OE2-CZ 2.85Å; E251-R262 IonicContact OE2-NH1 3.15Å; E251-R262 IonicContact OE2-NH2 2.67Å; E251-R262 PolarHBondContact OE2-NH2 2.69Å; R262-A288 VanDerWaalsContact CA-O 3.29Å; R262-A288 WeakPolarHBondContact CA-O 3.49Å; R262-A288 WeakPolarHBondContact CD-O 3.5Å |
| 263 | V | 98.8 | Very high | 92.5 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 133.2 | 150 | 57.9 | 0 | 0 | 0 | 0 | 108 | Y242 F243 F244 K287 A288 L290 I344 F348 V411 | Y242-V263 HydrophobicContact CD1-CG2 3.93Å; F243-V263 CarbonylContact O-C 3.52Å; F243-V263 WeakPolarHBondContact O-CA 3.16Å; F244-V263 HydrophobicContact CD1-CB 3.88Å; F244-V263 HydrophobicContact CD1-CG2 3.9Å; F244-V263 HydrophobicContact CE1-CB 3.75Å; F244-V263 HydrophobicContact CE1-CG2 3.44Å; F244-V263 VanDerWaalsContact CE1-CG2 3.44Å; F244-V263 HydrophobicContact CZ-CG2 3.96Å; V263-K287 CarbonylContact O-C 3.56Å; V263-K287 VanDerWaalsContact O-CA 3.3Å; V263-K287 WeakPolarHBondContact O-CA 3.15Å; V263-A288 HydrophobicContact CG1-CB 4.37Å; V263-A288 PolarHBondContact N-O 3.25Å; V263-A288 VanDerWaalsContact N-O 3.14Å; V263-A288 PolarHBondContact O-N 2.75Å; V263-L290 HydrophobicContact CB-CD2 4.04Å; V263-L290 HydrophobicContact CB-CG 4.46Å; V263-L290 HydrophobicContact CG1-CD2 3.72Å; V263-L290 HydrophobicContact CG1-CG 4.39Å; V263-I344 HydrophobicContact CG1-CG2 4.31Å; V263-I344 HydrophobicContact CG2-CG2 4.19Å; V263-F348 HydrophobicContact CG1-CE2 4.32Å; V263-F348 HydrophobicContact CG1-CZ 4.11Å; V263-F348 HydrophobicContact CG2-CE2 4.4Å; V263-F348 HydrophobicContact CG2-CZ 4.43Å; V263-V411 HydrophobicContact CG1-CG2 3.92Å |
| 264 | A | 98.6 | Very high | 93.3 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 155.6 | 167.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | Y242 F243 Y245 F285 V286 K287 | Y242-A264 CarbonylContact C-O 3.55Å; Y242-A264 VanDerWaalsContact CA-O 3.26Å; Y242-A264 WeakPolarHBondContact CA-O 3.31Å; F243-A264 HydrophobicContact CB-CB 4.5Å; F243-A264 PolarHBondContact N-O 2.8Å; F243-A264 PolarHBondContact O-N 2.88Å; Y245-A264 HydrophobicContact CE1-CB 3.83Å; A264-F285 HydrophobicContact CB-CD2 4.42Å; A264-F285 HydrophobicContact CB-CE2 3.72Å; A264-F285 HydrophobicContact CB-CZ 4.3Å; A264-V286 CarbonylContact C-O 3.58Å; A264-V286 WeakPolarHBondContact CA-O 3.25Å; A264-V286 WeakPolarHBondContact CB-O 3.4Å; A264-K287 HydrophobicContact CB-CB 3.85Å |
| 265 | R | 97.3 | Very high | 94.1 | Very high | 4 Ų | 4 | 38.5 Ų | 38.5 | 2% | 0.015 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 140 | -177 | -170.4 | -176.3 | 75.4 | 176.3 | 3.6 | 110.3 | Y240 Y242 V286 F348 G376 | Y240-R265 VanDerWaalsContact CD1-CD 3.47Å; Y240-R265 HydrophobicContact CD1-CG 3.47Å; Y240-R265 VanDerWaalsContact CD1-CG 3.47Å; Y240-R265 HydrophobicContact CD2-CG 4.38Å; Y240-R265 HydrophobicContact CE1-CG 4.16Å; Y240-R265 VanDerWaalsContact CE1-CZ 3.49Å; Y240-R265 VanDerWaalsContact CE1-NE 3.26Å; Y240-R265 HydrophobicContact CG-CG 3.59Å; Y240-R265 VanDerWaalsContact CZ-CZ 3.4Å; Y240-R265 PolarHBondContact OH-NH2 3.24Å; Y242-R265 HydrophobicContact CD1-CB 3.99Å; Y242-R265 HydrophobicContact CD1-CG 3.94Å; Y242-R265 HydrophobicContact CE1-CB 3.85Å; Y242-R265 VanDerWaalsContact CE1-CD 3.45Å; Y242-R265 HydrophobicContact CE1-CG 3.49Å; Y242-R265 VanDerWaalsContact CE1-CG 3.49Å; Y242-R265 HydrophobicContact CE2-CG 4.38Å; Y242-R265 VanDerWaalsContact OH-CD 3.26Å; Y242-R265 WeakPolarHBondContact OH-CD 3.17Å; R265-V286 HydrophobicContact CB-CG2 4.18Å; R265-V286 PolarHBondContact N-O 2.69Å; R265-V286 PolarHBondContact O-N 3.15Å; R265-F348 HydrophobicContact CB-CD2 4.06Å; R265-F348 HydrophobicContact CB-CE1 4.27Å; R265-F348 HydrophobicContact CB-CE2 3.68Å; R265-F348 HydrophobicContact CB-CZ 3.8Å; R265-F348 HydrophobicContact CG-CE2 4.49Å; R265-G376 PolarHBondContact NH2-O 3.17Å |
| 266 | I | 97.4 | Very high | 94.9 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 139.5 | 179.4 | -56.6 | -174.7 | 0 | 0 | 0 | 108.9 | I205 Y240 V241 F243 W282 F285 | I205-I266 HydrophobicContact CG2-CD1 3.68Å; Y240-I266 CarbonylContact C-O 3.58Å; Y240-I266 WeakPolarHBondContact CA-O 3.23Å; Y240-I266 WeakPolarHBondContact CB-O 3.49Å; V241-I266 PolarHBondContact N-O 3.49Å; V241-I266 PolarHBondContact O-N 2.97Å; F243-I266 HydrophobicContact CD2-CD1 4.21Å; F243-I266 HydrophobicContact CD2-CG1 4.49Å; F243-I266 HydrophobicContact CE2-CD1 3.81Å; F243-I266 HydrophobicContact CE2-CG1 4.33Å; I266-W282 HydrophobicContact CD1-CD2 4.03Å; I266-W282 HydrophobicContact CD1-CG 4.28Å; I266-W282 HydrophobicContact CD1-CZ2 4.01Å; I266-W282 HydrophobicContact CG2-CD2 3.79Å; I266-W282 HydrophobicContact CG2-CE3 3.32Å; I266-W282 HydrophobicContact CG2-CH2 3.76Å; I266-W282 HydrophobicContact CG2-CZ2 4.23Å; I266-W282 HydrophobicContact CG2-CZ3 3.31Å; I266-F285 HydrophobicContact CD1-CD2 3.95Å; I266-F285 HydrophobicContact CG1-CB 4.5Å; I266-F285 HydrophobicContact CG1-CD2 3.98Å |
| 267 | C | 96.1 | Very high | 95.6 | Very high | 1 Ų | 1 | 39.7 Ų | 39.7 | 1% | 0.007 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 136.5 | 175.8 | -70.6 | 0 | 0 | 0 | 0 | 111.9 | Y240 N269 D270 S284 C378 | Y240-C267 VanDerWaalsContact CE1-SG 3.5Å; C267-N269 VanDerWaalsContact C-N 3.32Å; C267-N269 PolarHBondContact O-N 3.28Å; C267-D270 HydrophobicContact CB-CB 4.24Å; C267-D270 WeakPolarHBondContact O-CB 3.36Å; C267-D270 PolarHBondContact O-N 2.99Å; C267-S284 PolarHBondContact N-OG 3.39Å; C267-S284 WeakPolarHBondContact SG-CB 3.22Å; C267-C378 HydrophobicContact CB-CB 3.81Å; C267-C378 WeakPolarHBondContact CB-SG 3.48Å; C267-C378 WeakPolarHBondContact SG-CA 3.4Å; C267-C378 WeakPolarHBondContact SG-CB 3.46Å; C267-C378 PolarHBondContact SG-N 3.32Å; C267-C378 VanDerWaalsContact SG-N 3.41Å; C267-C378 CovalentContact SG-SG 2.04Å; C267-C378 PolarHBondContact SG-SG 2.93Å |
| 268 | K | 94.1 | Very high | 96 | Very high | 35 Ų | 35 | 31.1 Ų | 31.1 | 15% | 0.152 | 15% | 0.15 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -41.2 | 176.7 | -78.9 | -177.5 | -78.2 | 174.4 | 0 | 112.8 | Y191 R207 E236 G238 N239 V241 D270 | Y191-K268 WeakPolarHBondContact OH-CA 3.21Å; Y191-K268 PolarHBondContact OH-O 2.59Å; Y191-K268 VanDerWaalsContact OH-O 3.08Å; R207-K268 PolarHBondContact NH1-O 3.37Å; R207-K268 VanDerWaalsContact NH1-O 3.17Å; E236-K268 HydrophobicContact CG-CD 3.99Å; E236-K268 VanDerWaalsContact OE1-CD 3.26Å; E236-K268 WeakPolarHBondContact OE1-CD 3.39Å; E236-K268 WeakPolarHBondContact OE1-CE 3.5Å; E236-K268 IonicContact OE1-NZ 3.55Å; E236-K268 PolarHBondContact OE1-NZ 3.49Å; G238-K268 WeakPolarHBondContact O-CE 3.27Å; G238-K268 PolarHBondContact O-NZ 3.49Å; N239-K268 VanDerWaalsContact C-CE 3.43Å; N239-K268 PolarHBondContact O-N 3.08Å; V241-K268 HydrophobicContact CG2-CG 3.96Å; K268-D270 VanDerWaalsContact C-N 3.35Å; K268-D270 PolarHBondContact O-N 3.02Å |
| 269 | N | 92.8 | Very high | 96.2 | Very high | 55 Ų | 55 | 34.2 Ų | 34.2 | 29% | 0.294 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.8 | 14.3 | -178.9 | 72.7 | -24.3 | 0 | 0 | 0 | 114.9 | C267 V271 A379 | C267-N269 VanDerWaalsContact C-N 3.32Å; C267-N269 PolarHBondContact O-N 3.28Å; N269-V271 PolarHBondContact O-N 2.84Å; N269-A379 PolarHBondContact ND2-O 3.08Å |
| 270 | D | 94.9 | Very high | 96.2 | Very high | 2 Ų | 2 | 38.1 Ų | 38.1 | 1% | 0.011 | 18% | 0.176 | C | C | . | . | trans | -62.3 | 131.6 | 171.4 | -162.4 | -25.5 | 0 | 0 | 0 | 109.5 | R207 L215 C267 K268 G272 W282 T283 S284 S390 | R207-D270 PolarHBondContact NH1-O 2.84Å; R207-D270 PolarHBondContact NH2-O 3.26Å; L215-D270 HydrophobicContact CD1-CB 4.14Å; L215-D270 WeakPolarHBondContact CD1-O 3.19Å; C267-D270 HydrophobicContact CB-CB 4.24Å; C267-D270 WeakPolarHBondContact O-CB 3.36Å; C267-D270 PolarHBondContact O-N 2.99Å; K268-D270 VanDerWaalsContact C-N 3.35Å; K268-D270 PolarHBondContact O-N 3.02Å; D270-G272 PolarHBondContact OD1-N 2.75Å; D270-G272 VanDerWaalsContact OD1-N 3.07Å; D270-W282 HydrophobicContact CB-CE3 4.02Å; D270-W282 HydrophobicContact CB-CZ3 4.07Å; D270-T283 PolarHBondContact OD1-N 2.94Å; D270-T283 PolarHBondContact OD1-OG1 2.9Å; D270-T283 PolarHBondContact OD2-N 3.1Å; D270-T283 PolarHBondContact OD2-OG1 3Å; D270-T283 VanDerWaalsContact OD2-OG1 3.1Å; D270-S284 WeakPolarHBondContact OD2-CB 3.17Å; D270-S284 PolarHBondContact OD2-N 3.15Å; D270-S284 PolarHBondContact OD2-OG 2.76Å; D270-S390 PolarHBondContact OD1-OG 2.97Å | ||
| 271 | V | 94.5 | Very high | 96.2 | Very high | 55 Ų | 55 | 39.6 Ų | 39.6 | 33% | 0.333 | 18% | 0.183 | S | C | . | . | trans | -121.6 | 7.3 | 178.9 | -69.6 | 0 | 0 | 0 | 0 | 112.7 | S213 N269 S389 S390 V391 | S213-V271 PolarHBondContact OG-O 2.87Å; N269-V271 PolarHBondContact O-N 2.84Å; V271-S389 VanDerWaalsContact CG2-OG 3.28Å; V271-S389 WeakPolarHBondContact CG2-OG 3.36Å; V271-S390 VanDerWaalsContact CG2-OG 3.23Å; V271-S390 WeakPolarHBondContact CG2-OG 3.25Å; V271-S390 PolarHBondContact N-OG 3.02Å; V271-V391 HydrophobicContact CG2-CG2 4Å | ||
| 272 | G | 95.6 | Very high | 96.2 | Very high | 1 Ų | 1 | 39.6 Ų | 39.6 | 1% | 0.01 | 18% | 0.183 | C | C | . | . | trans | 97.3 | 168.2 | -174.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | D270 H281 T283 S390 V391 | D270-G272 PolarHBondContact OD1-N 2.75Å; D270-G272 VanDerWaalsContact OD1-N 3.07Å; G272-H281 WeakPolarHBondContact CA-O 3.49Å; G272-T283 WeakPolarHBondContact O-CG2 3.39Å; G272-S390 PolarHBondContact N-OG 3.08Å; G272-S390 CarbonylContact O-C 3.49Å; G272-S390 WeakPolarHBondContact O-CB 3.38Å; G272-S390 PolarHBondContact O-OG 2.59Å; G272-V391 PolarHBondContact O-N 2.79Å | ||
| 273 | G | 95.9 | Very high | 96.2 | Very high | 4 Ų | 4 | 39.9 Ų | 39.9 | 4% | 0.041 | 19% | 0.185 | C | C | . | . | trans | -83.7 | -171.9 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114 | V277 L278 | G273-V277 CarbonylContact C-O 3.59Å; G273-V277 WeakPolarHBondContact CA-O 3.33Å; G273-L278 PolarHBondContact N-O 3.4Å | ||
| 274 | S | 95.4 | Very high | 96.1 | Very high | 8 Ų | 8 | 39.9 Ų | 39.9 | 6% | 0.056 | 19% | 0.185 | C | C | . | . | trans | -64.2 | 163.3 | 175.5 | 80.6 | 0 | 0 | 0 | 0 | 111.4 | R276 V277 E279 D395 | S274-R276 PolarHBondContact O-N 2.79Å; S274-R276 PolarHBondContact OG-N 3.37Å; S274-V277 PolarHBondContact N-O 3.3Å; S274-V277 VanDerWaalsContact N-O 3.11Å; S274-V277 CarbonylContact O-C 3.53Å; S274-V277 PolarHBondContact O-N 3.19Å; S274-V277 VanDerWaalsContact O-O 3.08Å; S274-V277 PolarHBondContact OG-N 2.92Å; S274-E279 PolarHBondContact O-N 3.03Å; S274-D395 PolarHBondContact OG-OD1 3.34Å | ||
| 275 | Q | 94.3 | Very high | 96.1 | Very high | 181 Ų | 181 | 39.9 Ų | 39.9 | 85% | 0.846 | 19% | 0.185 | S | C | * | . | S | Bend | trans | -58.3 | -11.9 | 172.3 | -66.4 | 177.3 | -8.5 | 0 | 0 | 113.7 | ||
| 276 | R | 96.3 | Very high | 96.2 | Very high | 190 Ų | 190 | 39.8 Ų | 39.8 | 72% | 0.717 | 19% | 0.185 | S | C | * | . | S | Bend | trans | -100.3 | -32.8 | -178.9 | -58 | 176.6 | -59.9 | -151.2 | 2.6 | 112.1 | S274 D395 | S274-R276 PolarHBondContact O-N 2.79Å; S274-R276 PolarHBondContact OG-N 3.37Å; R276-D395 WeakPolarHBondContact CB-OD2 3.12Å; R276-D395 WeakPolarHBondContact CD-OD2 3.15Å; R276-D395 IonicContact CZ-OD1 2.71Å; R276-D395 IonicContact CZ-OD2 2.72Å; R276-D395 VanDerWaalsContact CZ-OD2 3.23Å; R276-D395 VanDerWaalsContact NE-CG 3.26Å; R276-D395 IonicContact NE-OD1 2.66Å; R276-D395 PolarHBondContact NE-OD1 2.72Å; R276-D395 VanDerWaalsContact NE-OD1 3.09Å; R276-D395 IonicContact NE-OD2 2.89Å; R276-D395 PolarHBondContact NE-OD2 2.89Å; R276-D395 IonicContact NH2-OD1 3.28Å; R276-D395 PolarHBondContact NH2-OD1 3.2Å; R276-D395 IonicContact NH2-OD2 3.66Å; R276-D395 PolarHBondContact NH2-OD2 3.34Å |
| 277 | V | 97.2 | Very high | 96.2 | Very high | 14 Ų | 14 | 39.8 Ų | 39.8 | 9% | 0.085 | 19% | 0.185 | C | C | . | . | S | Bend | trans | -144.1 | 127.2 | -172.7 | -167.3 | 0 | 0 | 0 | 0 | 110.8 | G273 S274 E279 D395 L398 Q399 K402 | G273-V277 CarbonylContact C-O 3.59Å; G273-V277 WeakPolarHBondContact CA-O 3.33Å; S274-V277 PolarHBondContact N-O 3.3Å; S274-V277 VanDerWaalsContact N-O 3.11Å; S274-V277 CarbonylContact O-C 3.53Å; S274-V277 PolarHBondContact O-N 3.19Å; S274-V277 VanDerWaalsContact O-O 3.08Å; S274-V277 PolarHBondContact OG-N 2.92Å; V277-E279 VanDerWaalsContact C-N 3.28Å; V277-E279 PolarHBondContact O-N 2.64Å; V277-D395 HydrophobicContact CG2-CB 4Å; V277-L398 HydrophobicContact CB-CB 3.81Å; V277-L398 HydrophobicContact CB-CD1 4.3Å; V277-L398 HydrophobicContact CG1-CB 3.62Å; V277-Q399 HydrophobicContact CG1-CB 4.26Å; V277-K402 HydrophobicContact CG1-CD 4.38Å |
| 278 | L | 96.7 | Very high | 96.3 | Very high | 11 Ų | 11 | 39.8 Ų | 39.8 | 6% | 0.058 | 19% | 0.185 | C | C | . | . | S | Bend | trans | 60.6 | 25.8 | 178.8 | -64.4 | 168.4 | 0 | 0 | 0 | 115.5 | I218 W224 G273 K280 H281 L398 I401 K402 | I218-L278 HydrophobicContact CD1-CD2 3.87Å; I218-L278 HydrophobicContact CG1-CD2 4.32Å; W224-L278 HydrophobicContact CH2-CD2 4.12Å; W224-L278 HydrophobicContact CZ2-CD2 3.95Å; G273-L278 PolarHBondContact N-O 3.4Å; L278-K280 PolarHBondContact O-N 3.43Å; L278-H281 HydrophobicContact CB-CB 4.21Å; L278-H281 HydrophobicContact CD2-CB 3.77Å; L278-H281 PolarHBondContact O-N 3.3Å; L278-H281 VanDerWaalsContact O-O 3.09Å; L278-L398 HydrophobicContact CD1-CB 4.27Å; L278-L398 HydrophobicContact CD1-CD2 4.24Å; L278-L398 VanDerWaalsContact CD1-O 3.25Å; L278-L398 WeakPolarHBondContact CD1-O 3.03Å; L278-I401 HydrophobicContact CD1-CG2 3.67Å; L278-K402 HydrophobicContact CD1-CB 4.15Å; L278-K402 HydrophobicContact CD2-CB 4.13Å; L278-K402 HydrophobicContact CD2-CD 4.22Å; L278-K402 HydrophobicContact CD2-CG 4.3Å; L278-K402 HydrophobicContact CG-CB 4.26Å; L278-K402 HydrophobicContact CG-CD 4.45Å |
| 279 | E | 95.3 | Very high | 96.6 | Very high | 97 Ų | 97 | 39.7 Ų | 39.7 | 45% | 0.453 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53 | 128.8 | 168.4 | -155.9 | -139.6 | 137.2 | 0 | 0 | 110.5 | S274 V277 H281 | S274-E279 PolarHBondContact O-N 3.03Å; V277-E279 VanDerWaalsContact C-N 3.28Å; V277-E279 PolarHBondContact O-N 2.64Å; E279-H281 PolarHBondContact O-N 2.86Å; E279-H281 VanDerWaalsContact O-N 3.11Å; E279-H281 PolarHBondContact O-ND1 3.23Å |
| 280 | K | 95.3 | Very high | 96.8 | Very high | 123 Ų | 123 | 37.1 Ų | 37.1 | 54% | 0.535 | 17% | 0.17 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.3 | 14.6 | -173.9 | -48.8 | -172.4 | -179.5 | 76.3 | 0 | 116.2 | R216 L278 | R216-K280 PolarHBondContact N-O 3.43Å; L278-K280 PolarHBondContact O-N 3.43Å |
| 281 | H | 97.9 | Very high | 97 | Very high | 50 Ų | 50 | 38.1 Ų | 38.1 | 23% | 0.231 | 18% | 0.175 | C | C | . | . | B | Isolated β-bridge | trans | -119.9 | 156.7 | 176.3 | -66.2 | 81.2 | 0 | 0 | 0 | 110.6 | R216 G272 L278 E279 T283 | R216-H281 WeakPolarHBondContact O-CA 3.35Å; R216-H281 PolarHBondContact O-CD2 2.91Å; G272-H281 WeakPolarHBondContact CA-O 3.49Å; L278-H281 HydrophobicContact CB-CB 4.21Å; L278-H281 HydrophobicContact CD2-CB 3.77Å; L278-H281 PolarHBondContact O-N 3.3Å; L278-H281 VanDerWaalsContact O-O 3.09Å; E279-H281 PolarHBondContact O-N 2.86Å; E279-H281 VanDerWaalsContact O-N 3.11Å; E279-H281 PolarHBondContact O-ND1 3.23Å; H281-T283 PolarHBondContact O-N 3.14Å |
| 282 | W | 98.1 | Very high | 97.1 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 16% | 0.16 | C | C | . | . | trans | -59 | 135.4 | 179.4 | -60.7 | 117.5 | 0 | 0 | 0 | 112.6 | Y191 I205 R207 L215 R216 W224 I266 D270 F285 | Y191-W282 HydrophobicContact CD1-CH2 4.17Å; Y191-W282 AromaticContact CE1-CH2 3.67Å; Y191-W282 HydrophobicContact CE1-CH2 3.67Å; Y191-W282 HydrophobicContact CE1-CZ3 4.39Å; I205-W282 PolarHBondContact O-NE1 2.89Å; R207-W282 HydrophobicContact CB-CH2 3.34Å; R207-W282 HydrophobicContact CB-CZ2 3.62Å; R207-W282 HydrophobicContact CB-CZ3 4.46Å; R207-W282 HydrophobicContact CG-CH2 4.24Å; L215-W282 HydrophobicContact CB-CD2 3.85Å; L215-W282 HydrophobicContact CB-CE3 3.77Å; L215-W282 HydrophobicContact CB-CH2 4.02Å; L215-W282 HydrophobicContact CB-CZ2 4.05Å; L215-W282 HydrophobicContact CB-CZ3 3.86Å; L215-W282 HydrophobicContact CD1-CD2 4.37Å; L215-W282 HydrophobicContact CD1-CE3 3.52Å; L215-W282 HydrophobicContact CD1-CH2 4.42Å; L215-W282 HydrophobicContact CD1-CZ3 3.55Å; L215-W282 HydrophobicContact CG-CE3 4.31Å; L215-W282 HydrophobicContact CG-CZ3 4.32Å; R216-W282 PolarHBondContact O-N 3.44Å; W224-W282 HydrophobicContact CH2-CB 4.25Å; W224-W282 WeakPolarHBondContact CH2-O 3.29Å; W224-W282 HydrophobicContact CZ3-CB 4.08Å; I266-W282 HydrophobicContact CD1-CD2 4.03Å; I266-W282 HydrophobicContact CD1-CG 4.28Å; I266-W282 HydrophobicContact CD1-CZ2 4.01Å; I266-W282 HydrophobicContact CG2-CD2 3.79Å; I266-W282 HydrophobicContact CG2-CE3 3.32Å; I266-W282 HydrophobicContact CG2-CH2 3.76Å; I266-W282 HydrophobicContact CG2-CZ2 4.23Å; I266-W282 HydrophobicContact CG2-CZ3 3.31Å; D270-W282 HydrophobicContact CB-CE3 4.02Å; D270-W282 HydrophobicContact CB-CZ3 4.07Å; W282-F285 HydrophobicContact CB-CB 3.74Å; W282-F285 HydrophobicContact CG-CB 4.34Å | ||
| 283 | T | 97.6 | Very high | 97.2 | Very high | 6 Ų | 6 | 35.5 Ų | 35.5 | 4% | 0.037 | 16% | 0.159 | C | C | . | . | S | Bend | trans | -99.7 | -9 | 173.1 | 63.7 | 0 | 0 | 0 | 0 | 113.1 | D270 G272 H281 S390 L398 I401 | D270-T283 PolarHBondContact OD1-N 2.94Å; D270-T283 PolarHBondContact OD1-OG1 2.9Å; D270-T283 PolarHBondContact OD2-N 3.1Å; D270-T283 PolarHBondContact OD2-OG1 3Å; D270-T283 VanDerWaalsContact OD2-OG1 3.1Å; G272-T283 WeakPolarHBondContact O-CG2 3.39Å; H281-T283 PolarHBondContact O-N 3.14Å; T283-S390 WeakPolarHBondContact OG1-CB 3.37Å; T283-L398 HydrophobicContact CG2-CD2 3.56Å; T283-I401 WeakPolarHBondContact O-CD1 3.32Å |
| 284 | S | 97.4 | Very high | 97.1 | Very high | 1 Ų | 1 | 36 Ų | 36 | 1% | 0.007 | 16% | 0.161 | C | C | . | . | S | Bend | trans | -117.5 | -2.4 | -173.6 | 59.1 | 0 | 0 | 0 | 0 | 114.7 | C267 D270 V286 | C267-S284 PolarHBondContact N-OG 3.39Å; C267-S284 WeakPolarHBondContact SG-CB 3.22Å; D270-S284 WeakPolarHBondContact OD2-CB 3.17Å; D270-S284 PolarHBondContact OD2-N 3.15Å; D270-S284 PolarHBondContact OD2-OG 2.76Å; S284-V286 PolarHBondContact O-N 3.24Å |
| 285 | F | 98.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 18% | 0.176 | C | C | . | . | trans | -66.6 | 115.1 | -175.7 | 177.2 | -99.5 | 0 | 0 | 0 | 112.4 | I205 T217 W224 A264 I266 W282 K287 I401 P405 | I205-F285 HydrophobicContact CD1-CE2 3.85Å; T217-F285 HydrophobicContact CG2-CD2 4.31Å; T217-F285 HydrophobicContact CG2-CE2 4.24Å; T217-F285 HydrophobicContact CG2-CZ 4.45Å; W224-F285 HydrophobicContact CB-CE1 4.25Å; W224-F285 AromaticContact CD2-CD1 3.87Å; W224-F285 HydrophobicContact CD2-CD1 3.87Å; W224-F285 HydrophobicContact CD2-CE1 4.14Å; W224-F285 HydrophobicContact CE3-CB 4.35Å; W224-F285 AromaticContact CE3-CD1 3.32Å; W224-F285 HydrophobicContact CE3-CD1 3.32Å; W224-F285 AromaticContact CE3-CE1 3.77Å; W224-F285 HydrophobicContact CE3-CE1 3.77Å; W224-F285 AromaticContact CE3-CG 3.93Å; W224-F285 HydrophobicContact CE3-CG 3.93Å; W224-F285 HydrophobicContact CG-CE1 4.37Å; W224-F285 HydrophobicContact CH2-CB 4.19Å; W224-F285 HydrophobicContact CH2-CD1 4.35Å; W224-F285 HydrophobicContact CZ3-CB 3.73Å; W224-F285 AromaticContact CZ3-CD1 3.62Å; W224-F285 HydrophobicContact CZ3-CD1 3.62Å; W224-F285 HydrophobicContact CZ3-CE1 4.47Å; W224-F285 AromaticContact CZ3-CG 3.82Å; W224-F285 HydrophobicContact CZ3-CG 3.82Å; A264-F285 HydrophobicContact CB-CD2 4.42Å; A264-F285 HydrophobicContact CB-CE2 3.72Å; A264-F285 HydrophobicContact CB-CZ 4.3Å; I266-F285 HydrophobicContact CD1-CD2 3.95Å; I266-F285 HydrophobicContact CG1-CB 4.5Å; I266-F285 HydrophobicContact CG1-CD2 3.98Å; W282-F285 HydrophobicContact CB-CB 3.74Å; W282-F285 HydrophobicContact CG-CB 4.34Å; F285-K287 HydrophobicContact CZ-CD 4.44Å; F285-I401 WeakPolarHBondContact O-CD1 3.44Å; F285-P405 HydrophobicContact CD1-CB 3.94Å; F285-P405 HydrophobicContact CE1-CB 3.96Å | ||
| 286 | V | 98.4 | Very high | 96.5 | Very high | 2 Ų | 2 | 31.5 Ų | 31.5 | 1% | 0.012 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 149.3 | 173 | -70.2 | 0 | 0 | 0 | 0 | 110.4 | A264 R265 S284 F348 F352 I401 P405 M407 | A264-V286 CarbonylContact C-O 3.58Å; A264-V286 WeakPolarHBondContact CA-O 3.25Å; A264-V286 WeakPolarHBondContact CB-O 3.4Å; R265-V286 HydrophobicContact CB-CG2 4.18Å; R265-V286 PolarHBondContact N-O 2.69Å; R265-V286 PolarHBondContact O-N 3.15Å; S284-V286 PolarHBondContact O-N 3.24Å; V286-F348 HydrophobicContact CB-CD1 4Å; V286-F348 HydrophobicContact CB-CE1 4.1Å; V286-F348 HydrophobicContact CG2-CD1 3.38Å; V286-F348 HydrophobicContact CG2-CE1 3.65Å; V286-F348 HydrophobicContact CG2-CG 4.15Å; V286-F352 HydrophobicContact CG1-CE1 3.84Å; V286-F352 HydrophobicContact CG1-CZ 4.45Å; V286-I401 HydrophobicContact CG1-CD1 4.05Å; V286-I401 HydrophobicContact CG1-CG1 4.29Å; V286-P405 CarbonylContact C-O 3.47Å; V286-P405 WeakPolarHBondContact CA-O 3.4Å; V286-M407 HydrophobicContact CB-SD 4.24Å; V286-M407 HydrophobicContact CG1-SD 4.43Å |
| 287 | K | 98.4 | Very high | 95.9 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 149 | 179.4 | 70.1 | -179.5 | 178.2 | -176.7 | 0 | 113.4 | K223 W224 Y245 E247 V263 A264 F285 P405 L406 M407 | K223-K287 WeakPolarHBondContact O-CE 3.3Å; K223-K287 PolarHBondContact O-NZ 3.43Å; W224-K287 PolarHBondContact O-NZ 3.48Å; Y245-K287 WeakPolarHBondContact OH-CD 3.09Å; E247-K287 WeakPolarHBondContact OE1-CE 3.38Å; E247-K287 IonicContact OE1-NZ 3.59Å; E247-K287 PolarHBondContact OE1-NZ 3.45Å; E247-K287 IonicContact OE2-NZ 2.8Å; E247-K287 PolarHBondContact OE2-NZ 2.96Å; V263-K287 CarbonylContact O-C 3.56Å; V263-K287 VanDerWaalsContact O-CA 3.3Å; V263-K287 WeakPolarHBondContact O-CA 3.15Å; A264-K287 HydrophobicContact CB-CB 3.85Å; F285-K287 HydrophobicContact CZ-CD 4.44Å; K287-P405 PolarHBondContact N-O 3.07Å; K287-L406 HydrophobicContact CG-CD1 4.11Å; K287-L406 WeakPolarHBondContact O-CA 3.4Å; K287-M407 PolarHBondContact O-N 3.41Å |
| 288 | A | 98.6 | Very high | 95.5 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 157.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | R262 V263 V347 F348 M407 V411 | R262-A288 VanDerWaalsContact CA-O 3.29Å; R262-A288 WeakPolarHBondContact CA-O 3.49Å; R262-A288 WeakPolarHBondContact CD-O 3.5Å; V263-A288 HydrophobicContact CG1-CB 4.37Å; V263-A288 PolarHBondContact N-O 3.25Å; V263-A288 VanDerWaalsContact N-O 3.14Å; V263-A288 PolarHBondContact O-N 2.75Å; A288-V347 HydrophobicContact CB-CG1 3.57Å; A288-F348 HydrophobicContact CB-CE1 4.22Å; A288-F348 HydrophobicContact CB-CZ 4.43Å; A288-M407 HydrophobicContact CB-CB 4.11Å; A288-M407 HydrophobicContact CB-CG 4.17Å; A288-V411 HydrophobicContact CB-CG2 4.23Å |
| 289 | R | 98.4 | Very high | 95.2 | Very high | 33 Ų | 33 | 40.9 Ų | 40.9 | 13% | 0.125 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 139.2 | 169.8 | -177.6 | 177.6 | 179.1 | -139.2 | 4.9 | 109.5 | Y260 S261 Y301 D303 A410 V411 | Y260-R289 HydrophobicContact CD2-CG 4.38Å; S261-R289 WeakPolarHBondContact O-CA 3.42Å; R289-Y301 VanDerWaalsContact NH2-CG 3.32Å; R289-D303 IonicContact CZ-OD1 3.71Å; R289-D303 IonicContact NE-OD1 2.7Å; R289-D303 PolarHBondContact NE-OD1 3.21Å; R289-D303 IonicContact NH2-OD1 2.86Å; R289-D303 PolarHBondContact NH2-OD1 3.45Å; R289-D303 IonicContact NH2-OD2 3.27Å; R289-A410 HydrophobicContact CB-CB 3.96Å; R289-A410 HydrophobicContact CG-CB 4.27Å; R289-A410 CarbonylContact O-C 3.6Å; R289-A410 VanDerWaalsContact O-CA 3.23Å; R289-A410 WeakPolarHBondContact O-CA 3.38Å; R289-A410 WeakPolarHBondContact O-CB 3.07Å; R289-V411 PolarHBondContact O-N 3.03Å |
| 290 | L | 98.7 | Very high | 95.2 | Very high | 1 Ų | 1 | 40.7 Ų | 40.7 | 1% | 0.005 | 21% | 0.213 | C | C | . | . | B | Isolated β-bridge | trans | -86.7 | 128.8 | 165.5 | -65 | 173.7 | 0 | 0 | 0 | 109 | F244 S261 V263 L305 F324 F339 V411 | F244-L290 HydrophobicContact CD1-CD1 4.33Å; S261-L290 PolarHBondContact O-N 2.96Å; V263-L290 HydrophobicContact CB-CD2 4.04Å; V263-L290 HydrophobicContact CB-CG 4.46Å; V263-L290 HydrophobicContact CG1-CD2 3.72Å; V263-L290 HydrophobicContact CG1-CG 4.39Å; L290-L305 HydrophobicContact CD1-CD2 4.34Å; L290-F324 HydrophobicContact CB-CE1 4.17Å; L290-F324 HydrophobicContact CB-CZ 4.29Å; L290-F324 HydrophobicContact CD1-CE1 4.35Å; L290-F324 HydrophobicContact CD1-CZ 4.16Å; L290-F339 HydrophobicContact CB-CE1 4.15Å; L290-F339 HydrophobicContact CB-CZ 4.09Å; L290-F339 HydrophobicContact CD2-CD1 4.07Å; L290-F339 HydrophobicContact CD2-CE1 4.24Å; L290-F339 HydrophobicContact CD2-CG 4.26Å; L290-V411 HydrophobicContact CD2-CB 4.07Å; L290-V411 HydrophobicContact CD2-CG2 4.16Å |
| 291 | N | 98.1 | Very high | 95.2 | Very high | 23 Ų | 23 | 38.9 Ų | 38.9 | 12% | 0.123 | 20% | 0.204 | C | C | . | . | trans | -96.7 | 102.4 | 176 | -171.7 | 28.2 | 0 | 0 | 0 | 111.4 | S293 Y301 F339 A410 V411 S413 | N291-S293 PolarHBondContact ND2-OG 2.95Å; N291-S293 PolarHBondContact OD1-OG 2.75Å; N291-S293 VanDerWaalsContact OD1-OG 3.12Å; N291-Y301 VanDerWaalsContact OD1-CD1 3.25Å; N291-Y301 WeakPolarHBondContact OD1-CD1 3.44Å; N291-Y301 WeakPolarHBondContact OD1-CE1 3.39Å; N291-F339 VanDerWaalsContact O-CE1 3.32Å; N291-F339 WeakPolarHBondContact O-CE1 3.26Å; N291-A410 HydrophobicContact CB-CB 4.05Å; N291-V411 VanDerWaalsContact CB-O 3.23Å; N291-V411 WeakPolarHBondContact CB-O 3.38Å; N291-V411 PolarHBondContact N-O 3.44Å; N291-S413 PolarHBondContact O-OG 2.84Å | ||
| 292 | C | 98 | Very high | 95.2 | Very high | 2 Ų | 2 | 36.5 Ų | 36.5 | 1% | 0.014 | 19% | 0.193 | C | C | . | . | trans | -110.2 | 105 | 163.7 | -172 | 0 | 0 | 0 | 0 | 107.8 | F302 F324 C337 F339 | C292-F302 HydrophobicContact CB-CB 4.44Å; C292-F302 PolarHBondContact O-N 2.91Å; C292-F324 HydrophobicContact CB-CB 4.28Å; C292-F324 HydrophobicContact CB-CD1 3.93Å; C292-F324 HydrophobicContact CB-CD2 3.78Å; C292-F324 HydrophobicContact CB-CE1 4.14Å; C292-F324 HydrophobicContact CB-CE2 4.04Å; C292-F324 HydrophobicContact CB-CG 3.74Å; C292-F324 HydrophobicContact CB-CZ 4.2Å; C292-C337 WeakPolarHBondContact CA-SG 3.32Å; C292-C337 HydrophobicContact CB-CB 3.68Å; C292-C337 WeakPolarHBondContact CB-SG 3.36Å; C292-C337 WeakPolarHBondContact SG-CB 3.49Å; C292-C337 CovalentContact SG-SG 2.04Å; C292-C337 PolarHBondContact SG-SG 2.84Å; C292-F339 HydrophobicContact CB-CZ 4.36Å | ||
| 293 | S | 96.3 | Very high | 95.2 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 150.8 | -176.2 | 59.5 | 0 | 0 | 0 | 0 | 112.6 | N291 F300 P418 | N291-S293 PolarHBondContact ND2-OG 2.95Å; N291-S293 PolarHBondContact OD1-OG 2.75Å; N291-S293 VanDerWaalsContact OD1-OG 3.12Å; S293-F300 CarbonylContact C-O 3.56Å; S293-F300 WeakPolarHBondContact CA-O 3.37Å; S293-F300 VanDerWaalsContact CB-O 3.3Å; S293-F300 WeakPolarHBondContact CB-O 3.41Å; S293-P418 WeakPolarHBondContact O-CD 3.42Å |
| 294 | V | 94.3 | Very high | 95.2 | Very high | 13 Ų | 13 | 37.6 Ų | 37.6 | 8% | 0.079 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 128.7 | 166.2 | 171.1 | 0 | 0 | 0 | 0 | 108.9 | F27 P28 F300 F302 P418 T421 | F27-V294 HydrophobicContact CE2-CB 4.04Å; F27-V294 HydrophobicContact CE2-CG1 4.28Å; F27-V294 HydrophobicContact CE2-CG2 3.94Å; F27-V294 HydrophobicContact CZ-CG2 3.92Å; P28-V294 HydrophobicContact CG-CG1 4.12Å; V294-F300 PolarHBondContact N-O 2.98Å; V294-F300 PolarHBondContact O-N 3.33Å; V294-F300 VanDerWaalsContact O-N 3.15Å; V294-F302 HydrophobicContact CG2-CE2 4.15Å; V294-P418 HydrophobicContact CG2-CG 3.78Å; V294-T421 HydrophobicContact CG2-CG2 4.14Å |
| 295 | P | 90.2 | Very high | 95.2 | Very high | 58 Ų | 58 | 37.5 Ų | 37.5 | 38% | 0.377 | 20% | 0.198 | S | C | . | . | trans | -73 | 152.9 | 175.4 | 30.3 | -34.9 | 0 | 0 | 0 | 112.3 | F299 | P295-F299 HydrophobicContact CB-CD1 4.48Å; P295-F299 HydrophobicContact CB-CE1 4.15Å | ||
| 296 | G | 86.5 | Confident | 95.2 | Very high | 38 Ų | 38 | 38.8 Ų | 38.8 | 39% | 0.392 | 20% | 0.204 | S | C | . | . | S | Bend | trans | 172.3 | -168 | -179.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | S298 | G296-S298 PolarHBondContact O-N 3.49Å; G296-S298 VanDerWaalsContact O-N 3.13Å |
| 297 | E | 84.4 | Confident | 95.2 | Very high | 194 Ų | 194 | 40 Ų | 40 | 91% | 0.907 | 21% | 0.213 | S | C | * | . | S | Bend | trans | -57.4 | -25.6 | 173.7 | -64 | -175.1 | 174.1 | 0 | 0 | 112.8 | ||
| 298 | S | 87.9 | Confident | 95.2 | Very high | 108 Ų | 108 | 40.8 Ų | 40.8 | 76% | 0.755 | 22% | 0.217 | S | C | * | . | S | Bend | trans | -145.4 | 131.1 | 165 | -73.7 | 0 | 0 | 0 | 0 | 109.2 | G296 F300 | G296-S298 PolarHBondContact O-N 3.49Å; G296-S298 VanDerWaalsContact O-N 3.13Å; S298-F300 PolarHBondContact O-N 3.33Å |
| 299 | F | 91.7 | Very high | 95.1 | Very high | 109 Ų | 109 | 41.5 Ų | 41.5 | 48% | 0.478 | 22% | 0.221 | S | C | . | . | trans | -63 | 128.8 | -178.1 | -66.8 | -88.2 | 0 | 0 | 0 | 111.9 | P295 Y301 | P295-F299 HydrophobicContact CB-CD1 4.48Å; P295-F299 HydrophobicContact CB-CE1 4.15Å; F299-Y301 HydrophobicContact CB-CD2 4.29Å; F299-Y301 HydrophobicContact CB-CE1 4.29Å; F299-Y301 HydrophobicContact CB-CE2 3.61Å; F299-Y301 WeakPolarHBondContact O-CD2 3.47Å; F299-Y301 WeakPolarHBondContact O-CE2 3.27Å | ||
| 300 | F | 94.6 | Very high | 95 | Very high | 93 Ų | 93 | 45 Ų | 45 | 41% | 0.408 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 114.8 | 171.5 | -174.8 | -84.5 | 0 | 0 | 0 | 109.9 | F27 S293 V294 S298 F302 T326 | F27-F300 HydrophobicContact CD2-CB 4.4Å; F27-F300 HydrophobicContact CD2-CG 4.34Å; F27-F300 HydrophobicContact CE2-CB 3.94Å; F27-F300 AromaticContact CE2-CD1 3.65Å; F27-F300 HydrophobicContact CE2-CD1 3.65Å; F27-F300 HydrophobicContact CE2-CD2 4.44Å; F27-F300 HydrophobicContact CE2-CE1 4.27Å; F27-F300 AromaticContact CE2-CG 3.75Å; F27-F300 HydrophobicContact CE2-CG 3.75Å; F27-F300 HydrophobicContact CZ-CD1 4.22Å; S293-F300 CarbonylContact C-O 3.56Å; S293-F300 WeakPolarHBondContact CA-O 3.37Å; S293-F300 VanDerWaalsContact CB-O 3.3Å; S293-F300 WeakPolarHBondContact CB-O 3.41Å; V294-F300 PolarHBondContact N-O 2.98Å; V294-F300 PolarHBondContact O-N 3.33Å; V294-F300 VanDerWaalsContact O-N 3.15Å; S298-F300 PolarHBondContact O-N 3.33Å; F300-F302 HydrophobicContact CD1-CD2 4.28Å; F300-F302 AromaticContact CD1-CE2 3.76Å; F300-F302 HydrophobicContact CD1-CE2 3.76Å; F300-F302 AromaticContact CD1-CZ 3.93Å; F300-F302 HydrophobicContact CD1-CZ 3.93Å; F300-F302 HydrophobicContact CE1-CD1 4.45Å; F300-F302 HydrophobicContact CE1-CD2 4.49Å; F300-F302 AromaticContact CE1-CE1 3.95Å; F300-F302 HydrophobicContact CE1-CE1 3.95Å; F300-F302 AromaticContact CE1-CE2 3.99Å; F300-F302 HydrophobicContact CE1-CE2 3.99Å; F300-F302 AromaticContact CE1-CZ 3.72Å; F300-F302 HydrophobicContact CE1-CZ 3.72Å; F300-T326 HydrophobicContact CE1-CG2 3.84Å; F300-T326 HydrophobicContact CZ-CG2 3.78Å |
| 301 | Y | 95.9 | Very high | 94.8 | Very high | 85 Ų | 85 | 47 Ų | 47 | 33% | 0.333 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 134 | -172.1 | -62.4 | -89.2 | 0 | 0 | 0 | 113.5 | R289 N291 F299 | R289-Y301 VanDerWaalsContact NH2-CG 3.32Å; N291-Y301 VanDerWaalsContact OD1-CD1 3.25Å; N291-Y301 WeakPolarHBondContact OD1-CD1 3.44Å; N291-Y301 WeakPolarHBondContact OD1-CE1 3.39Å; F299-Y301 HydrophobicContact CB-CD2 4.29Å; F299-Y301 HydrophobicContact CB-CE1 4.29Å; F299-Y301 HydrophobicContact CB-CE2 3.61Å; F299-Y301 WeakPolarHBondContact O-CD2 3.47Å; F299-Y301 WeakPolarHBondContact O-CE2 3.27Å |
| 302 | F | 97.9 | Very high | 94.6 | Very high | 1 Ų | 1 | 47.9 Ų | 47.9 | 0% | 0.004 | 26% | 0.257 | C | S | . | . | trans | -97.6 | 81.5 | 165.7 | -62.7 | -92 | 0 | 0 | 0 | 108.3 | F27 C292 V294 F300 V304 F324 T325 T326 A335 T421 T423 | F27-F302 HydrophobicContact CZ-CE2 4.33Å; F27-F302 AromaticContact CZ-CZ 3.98Å; F27-F302 HydrophobicContact CZ-CZ 3.98Å; C292-F302 HydrophobicContact CB-CB 4.44Å; C292-F302 PolarHBondContact O-N 2.91Å; V294-F302 HydrophobicContact CG2-CE2 4.15Å; F300-F302 HydrophobicContact CD1-CD2 4.28Å; F300-F302 AromaticContact CD1-CE2 3.76Å; F300-F302 HydrophobicContact CD1-CE2 3.76Å; F300-F302 AromaticContact CD1-CZ 3.93Å; F300-F302 HydrophobicContact CD1-CZ 3.93Å; F300-F302 HydrophobicContact CE1-CD1 4.45Å; F300-F302 HydrophobicContact CE1-CD2 4.49Å; F300-F302 AromaticContact CE1-CE1 3.95Å; F300-F302 HydrophobicContact CE1-CE1 3.95Å; F300-F302 AromaticContact CE1-CE2 3.99Å; F300-F302 HydrophobicContact CE1-CE2 3.99Å; F300-F302 AromaticContact CE1-CZ 3.72Å; F300-F302 HydrophobicContact CE1-CZ 3.72Å; F302-V304 VanDerWaalsContact C-N 3.34Å; F302-V304 PolarHBondContact O-N 2.04Å; F302-F324 HydrophobicContact CB-CB 3.64Å; F302-F324 WeakPolarHBondContact O-CB 3.2Å; F302-F324 VanDerWaalsContact O-CD1 3.26Å; F302-F324 WeakPolarHBondContact O-CD1 3.43Å; F302-T325 CarbonylContact C-O 3.56Å; F302-T326 HydrophobicContact CD1-CG2 4.09Å; F302-T326 HydrophobicContact CE1-CG2 4.1Å; F302-A335 HydrophobicContact CB-CB 4.05Å; F302-A335 HydrophobicContact CD1-CB 3.75Å; F302-A335 HydrophobicContact CD2-CB 3.46Å; F302-A335 VanDerWaalsContact CD2-CB 3.46Å; F302-A335 HydrophobicContact CE1-CB 4Å; F302-A335 HydrophobicContact CE2-CB 3.73Å; F302-A335 HydrophobicContact CG-CB 3.47Å; F302-A335 VanDerWaalsContact CG-CB 3.47Å; F302-A335 HydrophobicContact CZ-CB 3.98Å; F302-T421 HydrophobicContact CE2-CG2 4.22Å; F302-T421 HydrophobicContact CZ-CG2 4.2Å; F302-T423 HydrophobicContact CZ-CG2 4.32Å | ||
| 303 | D | 96.7 | Very high | 94.3 | Very high | 19 Ų | 19 | 51.8 Ų | 51.8 | 10% | 0.102 | 28% | 0.278 | C | S | . | . | trans | -77.2 | -11.7 | -168.6 | -86.5 | -48.9 | 0 | 0 | 0 | 115.5 | V259 Y260 S261 R289 T325 | V259-D303 WeakPolarHBondContact O-CB 3.38Å; Y260-D303 HydrophobicContact CD1-CB 4.1Å; Y260-D303 VanDerWaalsContact CD1-CG 3.48Å; Y260-D303 VanDerWaalsContact CD1-OD1 3.22Å; Y260-D303 WeakPolarHBondContact CD1-OD1 3.35Å; Y260-D303 WeakPolarHBondContact CE1-OD1 3.44Å; Y260-D303 WeakPolarHBondContact CE1-OD2 3.28Å; S261-D303 WeakPolarHBondContact CB-O 3.29Å; S261-D303 PolarHBondContact N-O 3.41Å; S261-D303 PolarHBondContact OG-O 2.91Å; R289-D303 IonicContact CZ-OD1 3.71Å; R289-D303 IonicContact NE-OD1 2.7Å; R289-D303 PolarHBondContact NE-OD1 3.21Å; R289-D303 IonicContact NH2-OD1 2.86Å; R289-D303 PolarHBondContact NH2-OD1 3.45Å; R289-D303 IonicContact NH2-OD2 3.27Å; D303-T325 PolarHBondContact N-O 3.34Å | ||
| 304 | V | 98.1 | Very high | 93.8 | Very high | 9 Ų | 9 | 52.1 Ų | 52.1 | 6% | 0.055 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 89.4 | -166.9 | -171.3 | 0 | 0 | 0 | 0 | 111.7 | V259 F302 Q306 F324 T325 | V259-V304 HydrophobicContact CB-CG2 4.36Å; V259-V304 HydrophobicContact CG1-CG2 4.4Å; F302-V304 VanDerWaalsContact C-N 3.34Å; F302-V304 PolarHBondContact O-N 2.04Å; V304-Q306 PolarHBondContact O-N 3.45Å; V304-F324 CarbonylContact O-C 3.51Å; V304-F324 WeakPolarHBondContact O-CA 3.45Å; V304-T325 WeakPolarHBondContact CB-O 3.46Å; V304-T325 PolarHBondContact N-O 3.39Å; V304-T325 PolarHBondContact O-N 2.86Å; V304-T325 PolarHBondContact O-OG1 2.97Å |
| 305 | L | 98.6 | Very high | 93.2 | Very high | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.2 | 132.2 | 173.6 | -177.5 | 65.4 | 0 | 0 | 0 | 110.7 | L232 F244 R246 S261 L290 S307 I308 F324 | L232-L305 HydrophobicContact CD1-CB 4.11Å; L232-L305 HydrophobicContact CD1-CD2 3.93Å; L232-L305 HydrophobicContact CD1-CG 3.67Å; L232-L305 WeakPolarHBondContact CD1-O 3.01Å; F244-L305 HydrophobicContact CB-CD2 4.38Å; R246-L305 WeakPolarHBondContact CD-O 3.02Å; R246-L305 PolarHBondContact NH1-O 3.02Å; S261-L305 WeakPolarHBondContact OG-CB 3.33Å; S261-L305 PolarHBondContact OG-N 3.14Å; L290-L305 HydrophobicContact CD1-CD2 4.34Å; L305-S307 WeakPolarHBondContact CD1-O 3.38Å; L305-I308 HydrophobicContact CD1-CB 4.25Å; L305-I308 HydrophobicContact CD2-CB 4.45Å; L305-I308 HydrophobicContact CD2-CD1 4.48Å; L305-F324 HydrophobicContact CB-CD1 3.98Å; L305-F324 HydrophobicContact CB-CE1 3.94Å; L305-F324 HydrophobicContact CD1-CD1 4.19Å; L305-F324 HydrophobicContact CD1-CD2 4.18Å; L305-F324 HydrophobicContact CD1-CE1 3.88Å; L305-F324 HydrophobicContact CD1-CE2 3.82Å; L305-F324 HydrophobicContact CD1-CG 4.34Å; L305-F324 HydrophobicContact CD1-CZ 3.68Å; L305-F324 HydrophobicContact CG-CE1 4.42Å |
| 306 | Q | 98.1 | Very high | 93 | Very high | 27 Ų | 27 | 55.4 Ų | 55.4 | 13% | 0.126 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | -41.5 | 179.4 | -60.8 | -66.1 | -21 | 0 | 0 | 112.1 | V304 V323 T325 | V304-Q306 PolarHBondContact O-N 3.45Å; Q306-V323 HydrophobicContact CB-CG1 4.37Å; Q306-V323 PolarHBondContact N-O 3.33Å; Q306-T325 HydrophobicContact CG-CG2 3.6Å; Q306-T325 PolarHBondContact NE2-OG1 2.88Å |
| 307 | S | 97.9 | Very high | 93.1 | Very high | 28 Ų | 28 | 56.4 Ų | 56.4 | 20% | 0.196 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.2 | 150 | -178 | -179.3 | 0 | 0 | 0 | 0 | 109.5 | L305 G322 V323 T430 L432 | L305-S307 WeakPolarHBondContact CD1-O 3.38Å; S307-G322 CarbonylContact O-C 3.5Å; S307-G322 VanDerWaalsContact O-CA 3.32Å; S307-G322 WeakPolarHBondContact O-CA 3.15Å; S307-V323 PolarHBondContact O-N 2.82Å; S307-T430 WeakPolarHBondContact CB-O 3.45Å; S307-L432 PolarHBondContact OG-N 2.87Å |
| 308 | I | 98 | Very high | 93.7 | Very high | 15 Ų | 15 | 49.5 Ų | 49.5 | 8% | 0.077 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 150.7 | 179.3 | -161.5 | 178.5 | 0 | 0 | 0 | 109.4 | H233 F244 L305 V320 V321 | H233-I308 HydrophobicContact CB-CG2 3.3Å; F244-I308 HydrophobicContact CB-CD1 4.08Å; F244-I308 HydrophobicContact CB-CG2 3.93Å; F244-I308 HydrophobicContact CD1-CD1 3.45Å; F244-I308 VanDerWaalsContact CD1-CD1 3.45Å; F244-I308 HydrophobicContact CD2-CD1 4.23Å; F244-I308 HydrophobicContact CE1-CD1 3.84Å; F244-I308 HydrophobicContact CG-CD1 3.66Å; F244-I308 HydrophobicContact CG-CG2 4.29Å; F244-I308 HydrophobicContact CZ-CD1 4.38Å; L305-I308 HydrophobicContact CD1-CB 4.25Å; L305-I308 HydrophobicContact CD2-CB 4.45Å; L305-I308 HydrophobicContact CD2-CD1 4.48Å; I308-V320 HydrophobicContact CD1-CB 4.02Å; I308-V320 HydrophobicContact CD1-CG2 3.89Å; I308-V320 HydrophobicContact CG1-CB 4.2Å; I308-V321 CarbonylContact C-O 3.48Å; I308-V321 VanDerWaalsContact CA-O 3.28Å; I308-V321 WeakPolarHBondContact CA-O 3.46Å; I308-V321 WeakPolarHBondContact CG1-O 3.44Å |
| 309 | T | 97.3 | Very high | 94.1 | Very high | 15 Ų | 15 | 44.4 Ų | 44.4 | 9% | 0.092 | 24% | 0.241 | C | C | . | . | P | Polyproline II helix | trans | -78.4 | 164.5 | 177.5 | 61.8 | 0 | 0 | 0 | 0 | 112.9 | H233 V321 L432 V434 | H233-T309 PolarHBondContact CD2-O 3.18Å; T309-V321 HydrophobicContact CG2-CB 4.18Å; T309-V321 PolarHBondContact N-O 3.18Å; T309-V321 PolarHBondContact OG1-N 2.96Å; T309-L432 HydrophobicContact CG2-CD2 3.8Å; T309-L432 HydrophobicContact CG2-CG 4.11Å; T309-V434 HydrophobicContact CG2-CB 4.42Å; T309-V434 HydrophobicContact CG2-CG2 3.76Å |
| 310 | D | 95.1 | Very high | 94.4 | Very high | 107 Ų | 107 | 39.2 Ų | 39.2 | 57% | 0.572 | 22% | 0.219 | S | C | * | . | P | Polyproline II helix | trans | -52.7 | 169.4 | 148.5 | -59.5 | -88.5 | 0 | 0 | 0 | 111.7 | H233 I312 | H233-D310 IonicContact CE1-OD1 4Å; H233-D310 PolarHBondContact CE1-OD1 3.35Å; H233-D310 VanDerWaalsContact CE1-OD1 3.27Å; H233-D310 WeakPolarHBondContact NE2-CA 3.5Å; H233-D310 IonicContact NE2-OD1 2.6Å; D310-I312 PolarHBondContact O-N 3.09Å |
| 311 | I | 95.9 | Very high | 94.5 | Very high | 43 Ų | 43 | 34.8 Ų | 34.8 | 22% | 0.221 | 20% | 0.199 | C | C | . | . | P | Polyproline II helix | trans | -72.6 | 116 | 174.1 | -60.7 | 169.7 | 0 | 0 | 0 | 108.7 | A235 F237 P318 S319 V320 M341 | A235-I311 HydrophobicContact CB-CD1 3.77Å; A235-I311 HydrophobicContact CB-CG1 3.91Å; F237-I311 HydrophobicContact CB-CD1 3.56Å; F237-I311 HydrophobicContact CD2-CD1 3.86Å; F237-I311 HydrophobicContact CD2-CG2 4.38Å; F237-I311 HydrophobicContact CG-CD1 3.97Å; I311-P318 HydrophobicContact CG2-CB 4.04Å; I311-S319 WeakPolarHBondContact CA-O 3.48Å; I311-V320 HydrophobicContact CB-CG1 4.46Å; I311-V320 HydrophobicContact CG1-CG1 3.7Å; I311-M341 HydrophobicContact CD1-CE 3.89Å; I311-M341 HydrophobicContact CD1-CG 4.24Å; I311-M341 HydrophobicContact CD1-SD 3.79Å; I311-M341 HydrophobicContact CG1-CG 4.43Å; I311-M341 HydrophobicContact CG1-SD 4Å; I311-M341 HydrophobicContact CG2-CG 4.03Å |
| 312 | I | 94.1 | Very high | 94.7 | Very high | 41 Ų | 41 | 30.7 Ų | 30.7 | 21% | 0.21 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 158.6 | -179.7 | 60 | 170.4 | 0 | 0 | 0 | 110.8 | D310 V314 S319 V321 V434 | D310-I312 PolarHBondContact O-N 3.09Å; I312-V314 HydrophobicContact CD1-CG2 4.11Å; I312-V314 HydrophobicContact CG1-CG2 4.1Å; I312-S319 PolarHBondContact N-O 3.37Å; I312-S319 PolarHBondContact O-N 2.91Å; I312-V321 HydrophobicContact CD1-CG2 3.93Å; I312-V434 HydrophobicContact CD1-CB 3.88Å; I312-V434 HydrophobicContact CD1-CG1 3.66Å; I312-V434 HydrophobicContact CD1-CG2 4.34Å |
| 313 | D | 90.4 | Very high | 94.7 | Very high | 84 Ų | 84 | 30.7 Ų | 30.7 | 45% | 0.449 | 18% | 0.183 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 127.9 | 167.8 | -169.4 | -63.8 | 0 | 0 | 0 | 109.6 | N315 G316 | D313-N315 PolarHBondContact OD1-N 3.26Å; D313-G316 VanDerWaalsContact OD1-CA 3.31Å; D313-G316 WeakPolarHBondContact OD1-CA 3.24Å; D313-G316 PolarHBondContact OD1-N 3.25Å; D313-G316 WeakPolarHBondContact OD2-CA 3.33Å |
| 314 | V | 86.7 | Confident | 94.8 | Very high | 7 Ų | 7 | 29.8 Ų | 29.8 | 4% | 0.042 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 107.7 | 169.5 | -179.5 | 0 | 0 | 0 | 0 | 107.5 | I312 G316 V317 W419 T463 | I312-V314 HydrophobicContact CD1-CG2 4.11Å; I312-V314 HydrophobicContact CG1-CG2 4.1Å; V314-G316 PolarHBondContact O-N 3.24Å; V314-V317 PolarHBondContact N-O 2.93Å; V314-V317 WeakPolarHBondContact O-CB 3.38Å; V314-V317 PolarHBondContact O-N 3.35Å; V314-W419 HydrophobicContact CG1-CH2 3.74Å; V314-W419 HydrophobicContact CG1-CZ2 3.97Å; V314-W419 HydrophobicContact CG2-CH2 4.06Å; V314-T463 HydrophobicContact CG1-CG2 3.88Å |
| 315 | N | 81.4 | Confident | 94.8 | Very high | 86 Ų | 86 | 29.3 Ų | 29.3 | 46% | 0.46 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50.6 | 37.6 | -178.5 | -68.3 | 7.2 | 0 | 0 | 0 | 114.4 | D313 T463 | D313-N315 PolarHBondContact OD1-N 3.26Å; N315-T463 VanDerWaalsContact ND2-C 3.28Å; N315-T463 WeakPolarHBondContact ND2-CB 3.03Å; N315-T463 PolarHBondContact ND2-O 3.49Å; N315-T463 PolarHBondContact ND2-OG1 2.03Å; N315-T463 PolarHBondContact OD1-OG1 2.74Å |
| 316 | G | 85.1 | Confident | 94.7 | Very high | 55 Ų | 55 | 29.7 Ų | 29.7 | 57% | 0.567 | 18% | 0.178 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 85.4 | 5.6 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | D313 V314 | D313-G316 VanDerWaalsContact OD1-CA 3.31Å; D313-G316 WeakPolarHBondContact OD1-CA 3.24Å; D313-G316 PolarHBondContact OD1-N 3.25Å; D313-G316 WeakPolarHBondContact OD2-CA 3.33Å; V314-G316 PolarHBondContact O-N 3.24Å |
| 317 | V | 90.3 | Very high | 94.5 | Very high | 58 Ų | 58 | 30.8 Ų | 30.8 | 35% | 0.352 | 18% | 0.183 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 113.7 | -178.8 | -174.7 | 0 | 0 | 0 | 0 | 110.1 | V314 S319 | V314-V317 PolarHBondContact N-O 2.93Å; V314-V317 WeakPolarHBondContact O-CB 3.38Å; V314-V317 PolarHBondContact O-N 3.35Å; V317-S319 PolarHBondContact O-N 2.99Å; V317-S319 VanDerWaalsContact O-N 3.15Å; V317-S319 PolarHBondContact O-OG 2.88Å |
| 318 | P | 95.8 | Very high | 94.1 | Very high | 50 Ų | 50 | 35 Ų | 35 | 33% | 0.325 | 20% | 0.201 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -57.8 | 117.7 | 171.8 | -24.8 | 35 | 0 | 0 | 0 | 110.9 | F237 I311 M341 | F237-P318 HydrophobicContact CE2-CB 3.92Å; F237-P318 HydrophobicContact CE2-CG 4.44Å; F237-P318 HydrophobicContact CZ-CB 4.27Å; I311-P318 HydrophobicContact CG2-CB 4.04Å; P318-M341 HydrophobicContact CB-CG 4.3Å; P318-M341 WeakPolarHBondContact O-CB 3.41Å; P318-M341 WeakPolarHBondContact O-CG 3.3Å; P318-M341 PolarHBondContact O-N 3.19Å |
| 319 | S | 96.2 | Very high | 93.7 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 159.1 | -168.6 | -57.1 | 0 | 0 | 0 | 0 | 111.4 | I311 I312 V317 F339 I414 | I311-S319 WeakPolarHBondContact CA-O 3.48Å; I312-S319 PolarHBondContact N-O 3.37Å; I312-S319 PolarHBondContact O-N 2.91Å; V317-S319 PolarHBondContact O-N 2.99Å; V317-S319 VanDerWaalsContact O-N 3.15Å; V317-S319 PolarHBondContact O-OG 2.88Å; S319-F339 CarbonylContact C-O 3.44Å; S319-F339 VanDerWaalsContact CA-O 3.26Å; S319-F339 WeakPolarHBondContact CA-O 3.32Å; S319-F339 WeakPolarHBondContact CB-O 3.24Å; S319-I414 WeakPolarHBondContact OG-CD1 3.28Å |
| 320 | V | 97.9 | Very high | 93.5 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 140.9 | 166.9 | -67 | 0 | 0 | 0 | 0 | 109.9 | F244 I308 I311 A338 F339 M341 I344 | F244-V320 HydrophobicContact CE1-CG2 4.02Å; F244-V320 HydrophobicContact CE2-CG1 4.38Å; F244-V320 HydrophobicContact CZ-CG1 4.05Å; F244-V320 HydrophobicContact CZ-CG2 4.02Å; I308-V320 HydrophobicContact CD1-CB 4.02Å; I308-V320 HydrophobicContact CD1-CG2 3.89Å; I308-V320 HydrophobicContact CG1-CB 4.2Å; I311-V320 HydrophobicContact CB-CG1 4.46Å; I311-V320 HydrophobicContact CG1-CG1 3.7Å; V320-A338 CarbonylContact O-C 3.54Å; V320-A338 VanDerWaalsContact O-CA 3.31Å; V320-A338 WeakPolarHBondContact O-CA 3.2Å; V320-F339 HydrophobicContact CG2-CB 4.08Å; V320-F339 PolarHBondContact N-O 3.35Å; V320-F339 PolarHBondContact O-N 2.89Å; V320-M341 HydrophobicContact CG1-SD 4.36Å; V320-I344 HydrophobicContact CG2-CD1 4.1Å |
| 321 | V | 98.1 | Very high | 93.4 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 136.1 | 177.1 | -171.8 | 0 | 0 | 0 | 0 | 108.6 | I308 T309 I312 V336 A338 W419 L432 V434 | I308-V321 CarbonylContact C-O 3.48Å; I308-V321 VanDerWaalsContact CA-O 3.28Å; I308-V321 WeakPolarHBondContact CA-O 3.46Å; I308-V321 WeakPolarHBondContact CG1-O 3.44Å; T309-V321 HydrophobicContact CG2-CB 4.18Å; T309-V321 PolarHBondContact N-O 3.18Å; T309-V321 PolarHBondContact OG1-N 2.96Å; I312-V321 HydrophobicContact CD1-CG2 3.93Å; V321-V336 HydrophobicContact CG1-CG1 3.64Å; V321-A338 HydrophobicContact CG2-CB 3.99Å; V321-W419 HydrophobicContact CG1-CE3 4.16Å; V321-W419 HydrophobicContact CG1-CZ3 4.06Å; V321-W419 HydrophobicContact CG2-CH2 4.02Å; V321-W419 HydrophobicContact CG2-CZ3 3.71Å; V321-L432 VanDerWaalsContact C-CD2 3.47Å; V321-L432 HydrophobicContact CB-CD2 4.13Å; V321-L432 HydrophobicContact CG1-CD2 4.02Å; V321-L432 WeakPolarHBondContact O-CD2 3.39Å; V321-V434 HydrophobicContact CB-CG2 4.29Å; V321-V434 HydrophobicContact CG1-CG2 4.46Å; V321-V434 HydrophobicContact CG2-CG2 4.46Å |
| 322 | G | 98.1 | Very high | 93.4 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 147.3 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114 | S307 F324 V336 C337 | S307-G322 CarbonylContact O-C 3.5Å; S307-G322 VanDerWaalsContact O-CA 3.32Å; S307-G322 WeakPolarHBondContact O-CA 3.15Å; G322-F324 WeakPolarHBondContact O-CD2 3.39Å; G322-F324 WeakPolarHBondContact O-CE2 3.33Å; G322-V336 WeakPolarHBondContact O-CA 3.38Å; G322-C337 PolarHBondContact N-O 2.6Å; G322-C337 PolarHBondContact O-N 2.85Å |
| 323 | V | 98.6 | Very high | 93.5 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 122.4 | 172.2 | 173.6 | 0 | 0 | 0 | 0 | 108.9 | Q306 S307 A335 V336 L429 L432 V449 | Q306-V323 HydrophobicContact CB-CG1 4.37Å; Q306-V323 PolarHBondContact N-O 3.33Å; S307-V323 PolarHBondContact O-N 2.82Å; V323-A335 WeakPolarHBondContact CA-O 3.33Å; V323-V336 HydrophobicContact CG2-CG2 4.39Å; V323-L429 HydrophobicContact CG1-CB 3.58Å; V323-L432 HydrophobicContact CG2-CB 3.84Å; V323-L432 HydrophobicContact CG2-CD1 3.92Å; V323-L432 HydrophobicContact CG2-CD2 4.19Å; V323-L432 HydrophobicContact CG2-CG 4.21Å; V323-V449 HydrophobicContact CG1-CG1 4.45Å; V323-V449 HydrophobicContact CG2-CG1 3.69Å |
| 324 | F | 98.7 | Very high | 93.8 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 153.4 | -179.1 | -61.3 | -106.3 | 0 | 0 | 0 | 110.5 | L290 C292 F302 V304 L305 G322 S334 A335 C337 F339 | L290-F324 HydrophobicContact CB-CE1 4.17Å; L290-F324 HydrophobicContact CB-CZ 4.29Å; L290-F324 HydrophobicContact CD1-CE1 4.35Å; L290-F324 HydrophobicContact CD1-CZ 4.16Å; C292-F324 HydrophobicContact CB-CB 4.28Å; C292-F324 HydrophobicContact CB-CD1 3.93Å; C292-F324 HydrophobicContact CB-CD2 3.78Å; C292-F324 HydrophobicContact CB-CE1 4.14Å; C292-F324 HydrophobicContact CB-CE2 4.04Å; C292-F324 HydrophobicContact CB-CG 3.74Å; C292-F324 HydrophobicContact CB-CZ 4.2Å; F302-F324 HydrophobicContact CB-CB 3.64Å; F302-F324 WeakPolarHBondContact O-CB 3.2Å; F302-F324 VanDerWaalsContact O-CD1 3.26Å; F302-F324 WeakPolarHBondContact O-CD1 3.43Å; V304-F324 CarbonylContact O-C 3.51Å; V304-F324 WeakPolarHBondContact O-CA 3.45Å; L305-F324 HydrophobicContact CB-CD1 3.98Å; L305-F324 HydrophobicContact CB-CE1 3.94Å; L305-F324 HydrophobicContact CD1-CD1 4.19Å; L305-F324 HydrophobicContact CD1-CD2 4.18Å; L305-F324 HydrophobicContact CD1-CE1 3.88Å; L305-F324 HydrophobicContact CD1-CE2 3.82Å; L305-F324 HydrophobicContact CD1-CG 4.34Å; L305-F324 HydrophobicContact CD1-CZ 3.68Å; L305-F324 HydrophobicContact CG-CE1 4.42Å; G322-F324 WeakPolarHBondContact O-CD2 3.39Å; G322-F324 WeakPolarHBondContact O-CE2 3.33Å; F324-S334 CarbonylContact O-C 3.51Å; F324-S334 VanDerWaalsContact O-CA 3.28Å; F324-S334 WeakPolarHBondContact O-CA 3.23Å; F324-A335 PolarHBondContact N-O 2.81Å; F324-A335 PolarHBondContact O-N 3.48Å; F324-C337 HydrophobicContact CD2-CB 4.22Å; F324-C337 HydrophobicContact CE2-CB 3.95Å; F324-F339 AromaticContact CE2-CE2 3.64Å; F324-F339 HydrophobicContact CE2-CE2 3.64Å; F324-F339 HydrophobicContact CE2-CZ 4.09Å; F324-F339 AromaticContact CZ-CE2 3.48Å; F324-F339 HydrophobicContact CZ-CE2 3.48Å; F324-F339 VanDerWaalsContact CZ-CE2 3.48Å; F324-F339 AromaticContact CZ-CZ 3.72Å; F324-F339 HydrophobicContact CZ-CZ 3.72Å |
| 325 | T | 98.2 | Very high | 94.4 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 164.1 | 173.9 | 66.9 | 0 | 0 | 0 | 0 | 111.8 | F302 D303 V304 Q306 G333 R428 | F302-T325 CarbonylContact C-O 3.56Å; D303-T325 PolarHBondContact N-O 3.34Å; V304-T325 WeakPolarHBondContact CB-O 3.46Å; V304-T325 PolarHBondContact N-O 3.39Å; V304-T325 PolarHBondContact O-N 2.86Å; V304-T325 PolarHBondContact O-OG1 2.97Å; Q306-T325 HydrophobicContact CG-CG2 3.6Å; Q306-T325 PolarHBondContact NE2-OG1 2.88Å; T325-G333 CarbonylContact C-O 3.51Å; T325-G333 VanDerWaalsContact CA-O 3.25Å; T325-G333 WeakPolarHBondContact CA-O 3.32Å; T325-G333 WeakPolarHBondContact CB-O 3.29Å; T325-R428 HydrophobicContact CG2-CB 3.9Å; T325-R428 HydrophobicContact CG2-CG 4.11Å |
| 326 | T | 97 | Very high | 95.1 | Very high | 7 Ų | 7 | 35.6 Ų | 35.6 | 4% | 0.043 | 21% | 0.21 | C | C | . | . | trans | -62.8 | 166.5 | 161.4 | 60.9 | 0 | 0 | 0 | 0 | 111.1 | F300 F302 S330 I331 G333 | F300-T326 HydrophobicContact CE1-CG2 3.84Å; F300-T326 HydrophobicContact CZ-CG2 3.78Å; F302-T326 HydrophobicContact CD1-CG2 4.09Å; F302-T326 HydrophobicContact CE1-CG2 4.1Å; T326-S330 WeakPolarHBondContact CB-OG 3.5Å; T326-I331 WeakPolarHBondContact CB-O 3.06Å; T326-I331 PolarHBondContact OG1-O 2.88Å; T326-G333 PolarHBondContact N-O 3.28Å; T326-G333 PolarHBondContact OG1-N 2.84Å; T326-G333 VanDerWaalsContact OG1-N 3.11Å | ||
| 327 | Q | 94.8 | Very high | 95.7 | Very high | 51 Ų | 51 | 33 Ų | 33 | 24% | 0.238 | 18% | 0.183 | C | C | . | . | trans | -61 | 148.5 | 175.6 | -56.4 | -68.3 | -22.8 | 0 | 0 | 110.4 | V259 N329 S330 R428 | V259-Q327 PolarHBondContact O-NE2 3.24Å; Q327-N329 VanDerWaalsContact C-N 3.29Å; Q327-N329 PolarHBondContact O-N 3.48Å; Q327-S330 PolarHBondContact N-OG 3.24Å; Q327-S330 PolarHBondContact O-N 2.91Å; Q327-S330 PolarHBondContact O-OG 3.36Å; Q327-R428 PolarHBondContact O-NH2 3.19Å | ||
| 328 | M | 88.4 | Confident | 96 | Very high | 116 Ų | 116 | 30.2 Ų | 30.2 | 57% | 0.571 | 17% | 0.166 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | -40 | -174 | -71.1 | -55.2 | -58.6 | 0 | 0 | 113.6 | S330 R428 | M328-S330 PolarHBondContact O-N 2.88Å; M328-R428 PolarHBondContact O-NH2 2.95Å; M328-R428 VanDerWaalsContact O-NH2 3.08Å |
| 329 | N | 89.5 | Confident | 96.1 | Very high | 171 Ų | 171 | 27.9 Ų | 27.9 | 91% | 0.914 | 15% | 0.151 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88.4 | 19.6 | -178.2 | -59.1 | -0.1 | 0 | 0 | 0 | 113.2 | Q327 | Q327-N329 VanDerWaalsContact C-N 3.29Å; Q327-N329 PolarHBondContact O-N 3.48Å |
| 330 | S | 92.4 | Very high | 96.1 | Very high | 53 Ų | 53 | 28.1 Ų | 28.1 | 37% | 0.371 | 15% | 0.153 | S | C | . | . | S | Bend | trans | -121.2 | 170.7 | 177.3 | 69.2 | 0 | 0 | 0 | 0 | 110.9 | T326 Q327 M328 R428 | T326-S330 WeakPolarHBondContact CB-OG 3.5Å; Q327-S330 PolarHBondContact N-OG 3.24Å; Q327-S330 PolarHBondContact O-N 2.91Å; Q327-S330 PolarHBondContact O-OG 3.36Å; M328-S330 PolarHBondContact O-N 2.88Å; S330-R428 PolarHBondContact O-NH2 2.76Å |
| 331 | I | 93.5 | Very high | 96.1 | Very high | 143 Ų | 143 | 28.2 Ų | 28.2 | 73% | 0.733 | 15% | 0.153 | S | C | * | . | trans | -50.2 | 127.6 | 177.2 | -65.6 | 163 | 0 | 0 | 0 | 109.1 | T326 G333 | T326-I331 WeakPolarHBondContact CB-O 3.06Å; T326-I331 PolarHBondContact OG1-O 2.88Å; I331-G333 PolarHBondContact O-N 3.02Å | ||
| 332 | P | 95.7 | Very high | 96.1 | Very high | 38 Ų | 38 | 32.7 Ų | 32.7 | 25% | 0.247 | 18% | 0.181 | C | C | . | . | trans | -59.5 | 121.1 | 179 | -24.6 | 34.6 | 0 | 0 | 0 | 111.2 | R428 | P332-R428 HydrophobicContact CB-CG 4.5Š| ||
| 333 | G | 96.5 | Very high | 96 | Very high | 3 Ų | 3 | 34.5 Ų | 34.5 | 3% | 0.031 | 19% | 0.19 | C | C | . | . | trans | -146.7 | 145.4 | 171.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | T325 T326 I331 | T325-G333 CarbonylContact C-O 3.51Å; T325-G333 VanDerWaalsContact CA-O 3.25Å; T325-G333 WeakPolarHBondContact CA-O 3.32Å; T325-G333 WeakPolarHBondContact CB-O 3.29Å; T326-G333 PolarHBondContact N-O 3.28Å; T326-G333 PolarHBondContact OG1-N 2.84Å; T326-G333 VanDerWaalsContact OG1-N 3.11Å; I331-G333 PolarHBondContact O-N 3.02Å | ||
| 334 | S | 98.1 | Very high | 96 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 149.2 | 177.9 | -48.6 | 0 | 0 | 0 | 0 | 111 | F324 T421 K422 R428 L429 | F324-S334 CarbonylContact O-C 3.51Å; F324-S334 VanDerWaalsContact O-CA 3.28Å; F324-S334 WeakPolarHBondContact O-CA 3.23Å; S334-T421 WeakPolarHBondContact O-CA 3.39Å; S334-K422 PolarHBondContact N-O 3.48Å; S334-K422 PolarHBondContact O-N 2.84Å; S334-R428 WeakPolarHBondContact OG-CA 3.05Å; S334-L429 VanDerWaalsContact CB-CG 3.46Å; S334-L429 PolarHBondContact OG-N 2.9Å |
| 335 | A | 97.5 | Very high | 95.9 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 155.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | F302 V323 F324 P418 F420 T421 | F302-A335 HydrophobicContact CB-CB 4.05Å; F302-A335 HydrophobicContact CD1-CB 3.75Å; F302-A335 HydrophobicContact CD2-CB 3.46Å; F302-A335 VanDerWaalsContact CD2-CB 3.46Å; F302-A335 HydrophobicContact CE1-CB 4Å; F302-A335 HydrophobicContact CE2-CB 3.73Å; F302-A335 HydrophobicContact CG-CB 3.47Å; F302-A335 VanDerWaalsContact CG-CB 3.47Å; F302-A335 HydrophobicContact CZ-CB 3.98Å; V323-A335 WeakPolarHBondContact CA-O 3.33Å; F324-A335 PolarHBondContact N-O 2.81Å; F324-A335 PolarHBondContact O-N 3.48Å; A335-P418 HydrophobicContact CB-CB 4.07Å; A335-P418 HydrophobicContact CB-CG 4.4Å; A335-F420 CarbonylContact C-O 3.51Å; A335-F420 WeakPolarHBondContact CA-O 3.38Å; A335-T421 HydrophobicContact CB-CG2 4.18Å |
| 336 | V | 97.8 | Very high | 95.9 | Very high | 3 Ų | 3 | 43.6 Ų | 43.6 | 2% | 0.018 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 125.6 | 168.8 | -176.2 | 0 | 0 | 0 | 0 | 108.2 | V321 G322 V323 P418 W419 F420 V447 V449 | V321-V336 HydrophobicContact CG1-CG1 3.64Å; G322-V336 WeakPolarHBondContact O-CA 3.38Å; V323-V336 HydrophobicContact CG2-CG2 4.39Å; V336-P418 CarbonylContact O-C 3.56Å; V336-P418 WeakPolarHBondContact O-CA 3.42Å; V336-P418 WeakPolarHBondContact O-CB 3.47Å; V336-W419 PolarHBondContact O-N 2.83Å; V336-F420 HydrophobicContact CB-CB 4.13Å; V336-F420 HydrophobicContact CG2-CB 4.09Å; V336-F420 HydrophobicContact CG2-CD1 4.36Å; V336-F420 PolarHBondContact N-O 2.95Å; V336-V447 HydrophobicContact CG1-CG1 4.43Å; V336-V449 HydrophobicContact CG2-CG2 3.98Å |
| 337 | C | 97.3 | Very high | 95.9 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 140.6 | 176.8 | -73 | 0 | 0 | 0 | 0 | 110.5 | C292 G322 F324 F339 | C292-C337 WeakPolarHBondContact CA-SG 3.32Å; C292-C337 HydrophobicContact CB-CB 3.68Å; C292-C337 WeakPolarHBondContact CB-SG 3.36Å; C292-C337 WeakPolarHBondContact SG-CB 3.49Å; C292-C337 CovalentContact SG-SG 2.04Å; C292-C337 PolarHBondContact SG-SG 2.84Å; G322-C337 PolarHBondContact N-O 2.6Å; G322-C337 PolarHBondContact O-N 2.85Å; F324-C337 HydrophobicContact CD2-CB 4.22Å; F324-C337 HydrophobicContact CE2-CB 3.95Å; C337-F339 HydrophobicContact CB-CE2 3.73Å; C337-F339 HydrophobicContact CB-CZ 3.82Å |
| 338 | A | 96.5 | Very high | 96.1 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 151.1 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111 | V320 V321 S413 I414 W419 | V320-A338 CarbonylContact O-C 3.54Å; V320-A338 VanDerWaalsContact O-CA 3.31Å; V320-A338 WeakPolarHBondContact O-CA 3.2Å; V321-A338 HydrophobicContact CG2-CB 3.99Å; A338-S413 CarbonylContact O-C 3.53Å; A338-S413 WeakPolarHBondContact O-CA 3.3Å; A338-S413 WeakPolarHBondContact O-CB 3.48Å; A338-I414 HydrophobicContact CB-CB 4.42Å; A338-I414 HydrophobicContact CB-CD1 3.93Å; A338-I414 HydrophobicContact CB-CG1 4.31Å; A338-I414 PolarHBondContact O-N 2.79Å; A338-W419 HydrophobicContact CB-CD2 3.97Å; A338-W419 VanDerWaalsContact CB-CE2 3.49Å; A338-W419 HydrophobicContact CB-CE3 4.18Å; A338-W419 HydrophobicContact CB-CH2 3.56Å; A338-W419 HydrophobicContact CB-CZ2 3.28Å; A338-W419 HydrophobicContact CB-CZ3 4Å |
| 339 | F | 97.5 | Very high | 96.4 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 128.2 | -179 | -57.4 | -92.3 | 0 | 0 | 0 | 109.1 | L290 N291 C292 S319 V320 F324 C337 I344 V411 P412 | L290-F339 HydrophobicContact CB-CE1 4.15Å; L290-F339 HydrophobicContact CB-CZ 4.09Å; L290-F339 HydrophobicContact CD2-CD1 4.07Å; L290-F339 HydrophobicContact CD2-CE1 4.24Å; L290-F339 HydrophobicContact CD2-CG 4.26Å; N291-F339 VanDerWaalsContact O-CE1 3.32Å; N291-F339 WeakPolarHBondContact O-CE1 3.26Å; C292-F339 HydrophobicContact CB-CZ 4.36Å; S319-F339 CarbonylContact C-O 3.44Å; S319-F339 VanDerWaalsContact CA-O 3.26Å; S319-F339 WeakPolarHBondContact CA-O 3.32Å; S319-F339 WeakPolarHBondContact CB-O 3.24Å; V320-F339 HydrophobicContact CG2-CB 4.08Å; V320-F339 PolarHBondContact N-O 3.35Å; V320-F339 PolarHBondContact O-N 2.89Å; F324-F339 AromaticContact CE2-CE2 3.64Å; F324-F339 HydrophobicContact CE2-CE2 3.64Å; F324-F339 HydrophobicContact CE2-CZ 4.09Å; F324-F339 AromaticContact CZ-CE2 3.48Å; F324-F339 HydrophobicContact CZ-CE2 3.48Å; F324-F339 VanDerWaalsContact CZ-CE2 3.48Å; F324-F339 AromaticContact CZ-CZ 3.72Å; F324-F339 HydrophobicContact CZ-CZ 3.72Å; C337-F339 HydrophobicContact CB-CE2 3.73Å; C337-F339 HydrophobicContact CB-CZ 3.82Å; F339-I344 HydrophobicContact CB-CD1 4.13Å; F339-I344 HydrophobicContact CB-CG1 4.47Å; F339-V411 HydrophobicContact CB-CG1 4.44Å; F339-V411 HydrophobicContact CD1-CB 4.27Å; F339-V411 HydrophobicContact CD1-CG1 3.86Å; F339-P412 VanDerWaalsContact CD1-O 3.27Å; F339-P412 WeakPolarHBondContact CD1-O 3.39Å |
| 340 | S | 97.1 | Very high | 96.6 | Very high | 6 Ų | 6 | 32.7 Ų | 32.7 | 4% | 0.042 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 142.7 | 176.2 | 89 | 0 | 0 | 0 | 0 | 110.1 | T342 D343 I344 | S340-T342 PolarHBondContact O-N 2.94Å; S340-T342 PolarHBondContact OG-N 3.14Å; S340-D343 PolarHBondContact O-N 2.9Å; S340-D343 WeakPolarHBondContact OG-CB 3.46Å; S340-D343 PolarHBondContact OG-N 3.3Å; S340-D343 PolarHBondContact OG-OD2 2.89Å; S340-I344 WeakPolarHBondContact O-CG1 3.19Å; S340-I344 PolarHBondContact O-N 3.01Å; S340-I344 VanDerWaalsContact O-N 3.13Å |
| 341 | M | 97.6 | Very high | 96.9 | Very high | 1 Ų | 1 | 35.4 Ų | 35.4 | 1% | 0.005 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -62.8 | -28.5 | 173.3 | -68.4 | -55.5 | -59.9 | 0 | 0 | 111.5 | F237 Y242 I311 P318 V320 I344 E345 | F237-M341 HydrophobicContact CB-CE 3.99Å; F237-M341 HydrophobicContact CD1-CB 4.31Å; F237-M341 HydrophobicContact CD1-CE 3.76Å; F237-M341 HydrophobicContact CD1-CG 4.49Å; F237-M341 HydrophobicContact CD2-CG 4.39Å; F237-M341 HydrophobicContact CE1-CB 3.82Å; F237-M341 HydrophobicContact CE1-CE 4.4Å; F237-M341 HydrophobicContact CE1-CG 4.36Å; F237-M341 HydrophobicContact CE2-CB 4.36Å; F237-M341 HydrophobicContact CE2-CG 4.26Å; F237-M341 HydrophobicContact CG-CE 3.88Å; F237-M341 HydrophobicContact CZ-CB 3.85Å; F237-M341 HydrophobicContact CZ-CG 4.24Å; Y242-M341 HydrophobicContact CD1-CE 4.24Å; Y242-M341 HydrophobicContact CD2-CE 3.73Å; Y242-M341 HydrophobicContact CE1-CE 4.11Å; Y242-M341 HydrophobicContact CE2-CE 3.59Å; Y242-M341 HydrophobicContact CG-CE 4.06Å; I311-M341 HydrophobicContact CD1-CE 3.89Å; I311-M341 HydrophobicContact CD1-CG 4.24Å; I311-M341 HydrophobicContact CD1-SD 3.79Å; I311-M341 HydrophobicContact CG1-CG 4.43Å; I311-M341 HydrophobicContact CG1-SD 4Å; I311-M341 HydrophobicContact CG2-CG 4.03Å; P318-M341 HydrophobicContact CB-CG 4.3Å; P318-M341 WeakPolarHBondContact O-CB 3.41Å; P318-M341 WeakPolarHBondContact O-CG 3.3Å; P318-M341 PolarHBondContact O-N 3.19Å; V320-M341 HydrophobicContact CG1-SD 4.36Å; M341-I344 PolarHBondContact O-N 3.18Å; M341-I344 HydrophobicContact SD-CD1 3.8Å; M341-E345 WeakPolarHBondContact O-CG 3.43Å; M341-E345 PolarHBondContact O-N 3.17Å |
| 342 | T | 96.6 | Very high | 97.1 | Very high | 94 Ų | 94 | 28.6 Ų | 28.6 | 58% | 0.577 | 15% | 0.147 | S | C | * | . | H | α-helix | trans | -62.2 | -45.5 | 174.8 | -50 | 0 | 0 | 0 | 0 | 112.4 | S340 E345 K346 | S340-T342 PolarHBondContact O-N 2.94Å; S340-T342 PolarHBondContact OG-N 3.14Å; T342-E345 PolarHBondContact O-N 3.36Å; T342-K346 WeakPolarHBondContact O-CB 3.39Å; T342-K346 PolarHBondContact O-N 3.49Å |
| 343 | D | 97.8 | Very high | 97.1 | Very high | 39 Ų | 39 | 28.5 Ų | 28.5 | 21% | 0.209 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -74.5 | -32.2 | 179 | -70.2 | -67.5 | 0 | 0 | 0 | 112.1 | S340 K346 V347 V411 P412 | S340-D343 PolarHBondContact O-N 2.9Å; S340-D343 WeakPolarHBondContact OG-CB 3.46Å; S340-D343 PolarHBondContact OG-N 3.3Å; S340-D343 PolarHBondContact OG-OD2 2.89Å; D343-K346 IonicContact OD1-NZ 2.69Å; D343-K346 PolarHBondContact OD1-NZ 2.84Å; D343-V347 WeakPolarHBondContact O-CG2 3.48Å; D343-V347 PolarHBondContact O-N 2.83Å; D343-V411 HydrophobicContact CB-CG1 4.38Å; D343-P412 HydrophobicContact CB-CG 4.15Å |
| 344 | I | 98.4 | Very high | 97 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -59 | -49.6 | 169.1 | -68.5 | 168.8 | 0 | 0 | 0 | 110.1 | Y242 F244 V263 V320 F339 S340 M341 V347 F348 V411 | Y242-I344 HydrophobicContact CD1-CG2 4.01Å; Y242-I344 HydrophobicContact CE1-CG2 3.62Å; F244-I344 HydrophobicContact CE1-CD1 4.46Å; V263-I344 HydrophobicContact CG1-CG2 4.31Å; V263-I344 HydrophobicContact CG2-CG2 4.19Å; V320-I344 HydrophobicContact CG2-CD1 4.1Å; F339-I344 HydrophobicContact CB-CD1 4.13Å; F339-I344 HydrophobicContact CB-CG1 4.47Å; S340-I344 WeakPolarHBondContact O-CG1 3.19Å; S340-I344 PolarHBondContact O-N 3.01Å; S340-I344 VanDerWaalsContact O-N 3.13Å; M341-I344 PolarHBondContact O-N 3.18Å; M341-I344 HydrophobicContact SD-CD1 3.8Å; I344-V347 PolarHBondContact O-N 2.77Å; I344-F348 HydrophobicContact CG2-CD2 4Å; I344-F348 HydrophobicContact CG2-CE2 3.62Å; I344-F348 WeakPolarHBondContact O-CD2 3.49Å; I344-F348 PolarHBondContact O-N 2.96Å; I344-V411 HydrophobicContact CB-CG1 4.47Å; I344-V411 HydrophobicContact CG1-CG1 3.62Å; I344-V411 HydrophobicContact CG1-CG2 4.27Å |
| 345 | E | 96.7 | Very high | 96.6 | Very high | 57 Ų | 57 | 31.9 Ų | 31.9 | 27% | 0.266 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -66.5 | -41 | 179.1 | -76.2 | -170.8 | 168.8 | 0 | 0 | 113 | Y242 M341 T342 V347 F348 M349 | Y242-E345 WeakPolarHBondContact OH-CG 3.46Å; Y242-E345 PolarHBondContact OH-OE1 2.88Å; M341-E345 WeakPolarHBondContact O-CG 3.43Å; M341-E345 PolarHBondContact O-N 3.17Å; T342-E345 PolarHBondContact O-N 3.36Å; E345-V347 VanDerWaalsContact C-N 3.33Å; E345-V347 PolarHBondContact O-N 3.5Å; E345-F348 PolarHBondContact O-N 2.74Å; E345-F348 VanDerWaalsContact O-N 3.14Å; E345-M349 WeakPolarHBondContact O-CG 3.38Å; E345-M349 PolarHBondContact O-N 3.04Å |
| 346 | K | 97.1 | Very high | 96.1 | Very high | 134 Ų | 134 | 38.5 Ų | 38.5 | 58% | 0.583 | 19% | 0.186 | S | C | * | . | H | α-helix | trans | -57 | -41.5 | 173.6 | 174.8 | 179.4 | 161.3 | -161.9 | 0 | 112.3 | T342 D343 M349 G350 | T342-K346 WeakPolarHBondContact O-CB 3.39Å; T342-K346 PolarHBondContact O-N 3.49Å; D343-K346 IonicContact OD1-NZ 2.69Å; D343-K346 PolarHBondContact OD1-NZ 2.84Å; K346-M349 CarbonylContact O-C 3.49Å; K346-M349 PolarHBondContact O-N 2.79Å; K346-M349 VanDerWaalsContact O-N 3.17Å; K346-G350 PolarHBondContact O-N 3.33Å; K346-G350 VanDerWaalsContact O-N 3.15Å |
| 347 | V | 98.1 | Very high | 95.5 | Very high | 9 Ų | 9 | 42 Ų | 42 | 6% | 0.055 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -66.1 | -38.6 | 174.7 | 165.6 | 0 | 0 | 0 | 0 | 112.2 | A288 D343 I344 E345 M349 G350 M407 V411 | A288-V347 HydrophobicContact CB-CG1 3.57Å; D343-V347 WeakPolarHBondContact O-CG2 3.48Å; D343-V347 PolarHBondContact O-N 2.83Å; I344-V347 PolarHBondContact O-N 2.77Å; E345-V347 VanDerWaalsContact C-N 3.33Å; E345-V347 PolarHBondContact O-N 3.5Å; V347-M349 PolarHBondContact O-N 2.92Å; V347-G350 PolarHBondContact O-N 3.33Å; V347-M407 HydrophobicContact CG1-CB 4.19Å; V347-M407 HydrophobicContact CG1-CG 4.41Å; V347-M407 WeakPolarHBondContact O-CE 3.34Å; V347-V411 HydrophobicContact CB-CG2 4.15Å; V347-V411 HydrophobicContact CG1-CG2 4.17Å; V347-V411 HydrophobicContact CG2-CG2 4.17Å |
| 348 | F | 97.4 | Very high | 94.8 | Very high | 3 Ų | 3 | 46.9 Ų | 46.9 | 1% | 0.013 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -69.7 | -16 | 173.4 | -68.8 | -57.6 | 0 | 0 | 0 | 114.1 | Y242 V263 R265 V286 A288 I344 E345 R374 M407 | Y242-F348 HydrophobicContact CD1-CE2 4.27Å; Y242-F348 HydrophobicContact CE1-CD2 4.21Å; Y242-F348 AromaticContact CE1-CE2 3.88Å; Y242-F348 HydrophobicContact CE1-CE2 3.88Å; V263-F348 HydrophobicContact CG1-CE2 4.32Å; V263-F348 HydrophobicContact CG1-CZ 4.11Å; V263-F348 HydrophobicContact CG2-CE2 4.4Å; V263-F348 HydrophobicContact CG2-CZ 4.43Å; R265-F348 HydrophobicContact CB-CD2 4.06Å; R265-F348 HydrophobicContact CB-CE1 4.27Å; R265-F348 HydrophobicContact CB-CE2 3.68Å; R265-F348 HydrophobicContact CB-CZ 3.8Å; R265-F348 HydrophobicContact CG-CE2 4.49Å; V286-F348 HydrophobicContact CB-CD1 4Å; V286-F348 HydrophobicContact CB-CE1 4.1Å; V286-F348 HydrophobicContact CG2-CD1 3.38Å; V286-F348 HydrophobicContact CG2-CE1 3.65Å; V286-F348 HydrophobicContact CG2-CG 4.15Å; A288-F348 HydrophobicContact CB-CE1 4.22Å; A288-F348 HydrophobicContact CB-CZ 4.43Å; I344-F348 HydrophobicContact CG2-CD2 4Å; I344-F348 HydrophobicContact CG2-CE2 3.62Å; I344-F348 WeakPolarHBondContact O-CD2 3.49Å; I344-F348 PolarHBondContact O-N 2.96Å; E345-F348 PolarHBondContact O-N 2.74Å; E345-F348 VanDerWaalsContact O-N 3.14Å; F348-R374 PolarHBondContact O-NH2 3.29Å; F348-M407 HydrophobicContact CD1-CG 3.76Å; F348-M407 HydrophobicContact CD1-SD 4.22Å; F348-M407 HydrophobicContact CE1-CG 4.12Å |
| 349 | M | 94.5 | Very high | 94.1 | Very high | 83 Ų | 83 | 53.5 Ų | 53.5 | 41% | 0.409 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.4 | -6.3 | 166.9 | -59.8 | -53.9 | -178 | 0 | 0 | 113.6 | E345 K346 V347 R374 | E345-M349 WeakPolarHBondContact O-CG 3.38Å; E345-M349 PolarHBondContact O-N 3.04Å; K346-M349 CarbonylContact O-C 3.49Å; K346-M349 PolarHBondContact O-N 2.79Å; K346-M349 VanDerWaalsContact O-N 3.17Å; V347-M349 PolarHBondContact O-N 2.92Å; M349-R374 PolarHBondContact O-NH1 3.16Å; M349-R374 PolarHBondContact O-NH2 2.9Å |
| 350 | G | 95.4 | Very high | 93.7 | Very high | 20 Ų | 20 | 54.8 Ų | 54.8 | 21% | 0.206 | 28% | 0.284 | C | S | . | . | S | Bend | trans | -76.7 | -168.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | K346 V347 R374 M407 | K346-G350 PolarHBondContact O-N 3.33Å; K346-G350 VanDerWaalsContact O-N 3.15Å; V347-G350 PolarHBondContact O-N 3.33Å; G350-R374 PolarHBondContact O-NH1 3.11Å; G350-R374 PolarHBondContact O-NH2 3.4Å; G350-M407 VanDerWaalsContact O-CE 3.29Å; G350-M407 WeakPolarHBondContact O-CE 3.45Å |
| 351 | R | 97.2 | Very high | 93.4 | Very high | 110 Ų | 110 | 60.1 Ų | 60.1 | 42% | 0.415 | 32% | 0.316 | S | S | . | . | P | Polyproline II helix | trans | -73.8 | 150 | 180 | -57.7 | -179.2 | -54.6 | -155.6 | 3.5 | 112.2 | P364 D408 | R351-P364 VanDerWaalsContact CZ-CB 3.42Å; R351-P364 VanDerWaalsContact NE-CB 3.31Å; R351-D408 HydrophobicContact CB-CB 4.18Å; R351-D408 IonicContact CZ-OD2 3.75Å; R351-D408 IonicContact NE-OD2 2.77Å; R351-D408 PolarHBondContact NE-OD2 3.46Å; R351-D408 IonicContact NH2-OD2 3.2Å; R351-D408 PolarHBondContact NH2-OD2 3.28Å; R351-D408 WeakPolarHBondContact O-CB 3.34Å; R351-D408 PolarHBondContact O-N 3.23Å |
| 352 | F | 97.9 | Very high | 93.1 | Very high | 1 Ų | 1 | 61.5 Ų | 61.5 | 0% | 0.004 | 32% | 0.321 | C | S | . | . | B | Isolated β-bridge | trans | -81 | 157.9 | 170.2 | -68.2 | -92.3 | 0 | 0 | 0 | 111.5 | V286 F365 L370 P375 F400 H404 M407 | V286-F352 HydrophobicContact CG1-CE1 3.84Å; V286-F352 HydrophobicContact CG1-CZ 4.45Å; F352-F365 HydrophobicContact CB-CB 4.25Å; F352-F365 PolarHBondContact O-N 2.78Å; F352-L370 HydrophobicContact CD2-CD1 4.14Å; F352-L370 HydrophobicContact CD2-CD2 3.67Å; F352-L370 HydrophobicContact CE2-CD1 4.17Å; F352-L370 HydrophobicContact CE2-CD2 4.09Å; F352-P375 HydrophobicContact CE1-CB 4.49Å; F352-P375 HydrophobicContact CE2-CB 4.35Å; F352-P375 HydrophobicContact CZ-CB 3.87Å; F352-F400 HydrophobicContact CB-CE1 4.17Å; F352-F400 HydrophobicContact CB-CZ 4Å; F352-F400 AromaticContact CD1-CE1 3.99Å; F352-F400 HydrophobicContact CD1-CE1 3.99Å; F352-F400 AromaticContact CD2-CE1 3.82Å; F352-F400 HydrophobicContact CD2-CE1 3.82Å; F352-F400 HydrophobicContact CD2-CZ 4.15Å; F352-F400 HydrophobicContact CE1-CE1 4.34Å; F352-F400 HydrophobicContact CE2-CE1 4.2Å; F352-F400 AromaticContact CG-CE1 3.71Å; F352-F400 HydrophobicContact CG-CE1 3.71Å; F352-F400 HydrophobicContact CG-CZ 4.02Å; F352-F400 HydrophobicContact CZ-CE1 4.44Å; F352-H404 HydrophobicContact CB-CB 4.45Å; F352-H404 HydrophobicContact CD1-CB 4.39Å; F352-H404 VanDerWaalsContact CD1-O 3.25Å; F352-H404 WeakPolarHBondContact CD1-O 3.34Å; F352-M407 HydrophobicContact CD1-CE 4.15Å; F352-M407 HydrophobicContact CD1-SD 3.78Å; F352-M407 HydrophobicContact CD2-CE 4.34Å; F352-M407 HydrophobicContact CE1-CE 4.11Å; F352-M407 HydrophobicContact CE1-SD 3.66Å; F352-M407 HydrophobicContact CE2-CE 4.29Å; F352-M407 HydrophobicContact CG-CE 4.27Å; F352-M407 HydrophobicContact CG-SD 4.45Å; F352-M407 HydrophobicContact CZ-CE 4.17Å; F352-M407 HydrophobicContact CZ-SD 4.23Å |
| 353 | K | 96 | Very high | 93.1 | Very high | 36 Ų | 36 | 59.2 Ų | 59.2 | 16% | 0.157 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 120 | 175.8 | -137.9 | 175.8 | -166.4 | 71.9 | 0 | 110.4 | E251 W362 L406 D408 | E251-K353 HydrophobicContact CB-CD 4.44Å; K353-W362 HydrophobicContact CB-CE3 4.22Å; K353-W362 HydrophobicContact CD-CB 4.31Å; K353-W362 HydrophobicContact CD-CE3 4.25Å; K353-W362 HydrophobicContact CG-CB 4.35Å; K353-W362 HydrophobicContact CG-CE3 4.13Å; K353-L406 HydrophobicContact CB-CB 4.45Å; K353-L406 HydrophobicContact CB-CD2 4.32Å; K353-L406 HydrophobicContact CB-CG 4.13Å; K353-L406 HydrophobicContact CD-CD2 3.98Å; K353-L406 HydrophobicContact CD-CG 4.34Å; K353-L406 PolarHBondContact N-O 3.05Å; K353-D408 HydrophobicContact CB-CB 4.45Å; K353-D408 HydrophobicContact CG-CB 4.34Å; K353-D408 PolarHBondContact NZ-O 3.24Å; K353-D408 IonicContact NZ-OD1 3.95Å; K353-D408 PolarHBondContact NZ-OD1 3.05Å |
| 354 | E | 93.5 | Very high | 93 | Very high | 39 Ų | 39 | 59.7 Ų | 59.7 | 18% | 0.182 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 144.5 | 176.8 | 177.3 | 179.6 | -134 | 0 | 0 | 111 | K356 W362 T363 F365 | E354-K356 HydrophobicContact CG-CG 3.92Å; E354-K356 WeakPolarHBondContact OE2-CE 3.36Å; E354-K356 WeakPolarHBondContact OE2-CG 3.46Å; E354-W362 WeakPolarHBondContact O-CA 3.28Å; E354-T363 PolarHBondContact N-O 3.13Å; E354-T363 PolarHBondContact O-N 3.31Å; E354-F365 HydrophobicContact CB-CB 4.31Å; E354-F365 HydrophobicContact CB-CD2 4.14Å; E354-F365 HydrophobicContact CG-CD2 4.47Å |
| 355 | Q | 90.9 | Very high | 92.9 | Very high | 34 Ų | 34 | 61 Ų | 61 | 16% | 0.159 | 32% | 0.318 | C | S | . | . | trans | -120.4 | 109.4 | 161.8 | -155 | -161.4 | 14.2 | 0 | 0 | 107.7 | T357 P358 S360 W362 | Q355-T357 WeakPolarHBondContact CG-O 3.39Å; Q355-P358 PolarHBondContact NE2-O 3.33Å; Q355-S360 WeakPolarHBondContact CG-O 3.43Å; Q355-S360 PolarHBondContact NE2-O 2.91Å; Q355-W362 HydrophobicContact CB-CD2 3.8Å; Q355-W362 HydrophobicContact CB-CE3 4.05Å; Q355-W362 HydrophobicContact CB-CG 4.3Å; Q355-W362 HydrophobicContact CB-CH2 4.21Å; Q355-W362 HydrophobicContact CB-CZ2 3.94Å; Q355-W362 HydrophobicContact CB-CZ3 4.26Å; Q355-W362 VanDerWaalsContact CD-NE1 3.34Å; Q355-W362 HydrophobicContact CG-CD2 4.06Å; Q355-W362 HydrophobicContact CG-CG 4.13Å; Q355-W362 HydrophobicContact CG-CZ2 4.29Å | ||
| 356 | K | 86.1 | Confident | 92.8 | Very high | 139 Ų | 139 | 60.4 Ų | 60.4 | 60% | 0.604 | 32% | 0.319 | S | S | * | . | S | Bend | trans | -72.6 | -36 | -166.9 | -68.1 | 174.6 | -177.4 | 168.7 | 0 | 113.1 | E354 S360 | E354-K356 HydrophobicContact CG-CG 3.92Å; E354-K356 WeakPolarHBondContact OE2-CE 3.36Å; E354-K356 WeakPolarHBondContact OE2-CG 3.46Å; K356-S360 PolarHBondContact N-OG 3.48Å; K356-S360 VanDerWaalsContact N-OG 3.1Å |
| 357 | T | 85.4 | Confident | 92.6 | Very high | 76 Ų | 76 | 58.5 Ų | 58.5 | 47% | 0.466 | 31% | 0.312 | S | S | . | . | S | Bend | trans | -134.4 | 157.8 | 168 | 65.8 | 0 | 0 | 0 | 0 | 109 | Q355 D359 S360 | Q355-T357 WeakPolarHBondContact CG-O 3.39Å; T357-D359 PolarHBondContact O-N 3Å; T357-D359 VanDerWaalsContact O-N 3.08Å; T357-S360 PolarHBondContact N-OG 3.24Å; T357-S360 WeakPolarHBondContact O-CB 3.41Å; T357-S360 PolarHBondContact O-N 3.41Å; T357-S360 PolarHBondContact O-OG 3.48Å; T357-S360 WeakPolarHBondContact OG1-CB 3.43Å; T357-S360 PolarHBondContact OG1-N 2.91Å |
| 358 | P | 82.8 | Confident | 92.4 | Very high | 103 Ų | 103 | 66 Ų | 66 | 67% | 0.669 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.3 | -28.8 | -178.3 | -27.9 | 36.8 | 0 | 0 | 0 | 114.8 | Q355 | Q355-P358 PolarHBondContact NE2-O 3.33Š|
| 359 | D | 82.6 | Confident | 92.3 | Very high | 139 Ų | 139 | 73 Ų | 73 | 74% | 0.743 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.6 | -12.5 | -179.4 | -41 | -74.1 | 0 | 0 | 0 | 113.2 | T357 | T357-D359 PolarHBondContact O-N 3Å; T357-D359 VanDerWaalsContact O-N 3.08Å |
| 360 | S | 87.9 | Confident | 92.3 | Very high | 28 Ų | 28 | 70.2 Ų | 70.2 | 20% | 0.196 | 36% | 0.364 | C | S | . | . | S | Bend | trans | -72.8 | 152.9 | -177.2 | 66 | 0 | 0 | 0 | 0 | 113 | Q355 K356 T357 | Q355-S360 WeakPolarHBondContact CG-O 3.43Å; Q355-S360 PolarHBondContact NE2-O 2.91Å; K356-S360 PolarHBondContact N-OG 3.48Å; K356-S360 VanDerWaalsContact N-OG 3.1Å; T357-S360 PolarHBondContact N-OG 3.24Å; T357-S360 WeakPolarHBondContact O-CB 3.41Å; T357-S360 PolarHBondContact O-N 3.41Å; T357-S360 PolarHBondContact O-OG 3.48Å; T357-S360 WeakPolarHBondContact OG1-CB 3.43Å; T357-S360 PolarHBondContact OG1-N 2.91Å |
| 361 | V | 90.5 | Very high | 92.4 | Very high | 118 Ų | 118 | 70 Ų | 70 | 72% | 0.715 | 36% | 0.359 | S | S | * | . | P | Polyproline II helix | trans | -64.8 | 142.1 | 169.8 | -177.3 | 0 | 0 | 0 | 0 | 109.6 | T363 | V361-T363 PolarHBondContact O-N 3.06Š|
| 362 | W | 93.1 | Very high | 92.2 | Very high | 30 Ų | 30 | 73.3 Ų | 73.3 | 11% | 0.114 | 38% | 0.376 | C | S | . | . | P | Polyproline II helix | trans | -70.6 | 126.2 | 176.5 | -71.5 | 72.1 | 0 | 0 | 0 | 110.7 | V250 E251 K353 E354 Q355 L406 | V250-W362 HydrophobicContact CB-CH2 4Å; V250-W362 HydrophobicContact CB-CZ2 3.71Å; V250-W362 HydrophobicContact CG2-CH2 3.71Å; V250-W362 HydrophobicContact CG2-CZ2 3.89Å; V250-W362 HydrophobicContact CG2-CZ3 4.34Å; V250-W362 PolarHBondContact O-NE1 2.94Å; E251-W362 HydrophobicContact CB-CB 4.44Å; E251-W362 HydrophobicContact CB-CD2 4.19Å; E251-W362 HydrophobicContact CB-CG 4.07Å; K353-W362 HydrophobicContact CB-CE3 4.22Å; K353-W362 HydrophobicContact CD-CB 4.31Å; K353-W362 HydrophobicContact CD-CE3 4.25Å; K353-W362 HydrophobicContact CG-CB 4.35Å; K353-W362 HydrophobicContact CG-CE3 4.13Å; E354-W362 WeakPolarHBondContact O-CA 3.28Å; Q355-W362 HydrophobicContact CB-CD2 3.8Å; Q355-W362 HydrophobicContact CB-CE3 4.05Å; Q355-W362 HydrophobicContact CB-CG 4.3Å; Q355-W362 HydrophobicContact CB-CH2 4.21Å; Q355-W362 HydrophobicContact CB-CZ2 3.94Å; Q355-W362 HydrophobicContact CB-CZ3 4.26Å; Q355-W362 VanDerWaalsContact CD-NE1 3.34Å; Q355-W362 HydrophobicContact CG-CD2 4.06Å; Q355-W362 HydrophobicContact CG-CG 4.13Å; Q355-W362 HydrophobicContact CG-CZ2 4.29Å; W362-L406 HydrophobicContact CE3-CD2 4.27Å; W362-L406 HydrophobicContact CZ3-CD2 4.01Å |
| 363 | T | 94.8 | Very high | 92.1 | Very high | 45 Ų | 45 | 73.6 Ų | 73.6 | 28% | 0.276 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 153.1 | -174.8 | 54.3 | 0 | 0 | 0 | 0 | 111.9 | E354 V361 F365 | E354-T363 PolarHBondContact N-O 3.13Å; E354-T363 PolarHBondContact O-N 3.31Å; V361-T363 PolarHBondContact O-N 3.06Å; T363-F365 PolarHBondContact O-N 2.76Å |
| 364 | P | 96.8 | Very high | 92.1 | Very high | 50 Ų | 50 | 73.4 Ų | 73.4 | 33% | 0.325 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.6 | 135.1 | 169 | 21.7 | -32.5 | 0 | 0 | 0 | 112.2 | R351 D408 | R351-P364 VanDerWaalsContact CZ-CB 3.42Å; R351-P364 VanDerWaalsContact NE-CB 3.31Å; P364-D408 HydrophobicContact CB-CB 4.46Å; P364-D408 WeakPolarHBondContact CB-OD2 3.38Å |
| 365 | F | 96.4 | Very high | 92.3 | Very high | 26 Ų | 26 | 71.7 Ų | 71.7 | 11% | 0.114 | 37% | 0.369 | C | S | . | . | P | Polyproline II helix | trans | -77.3 | 134.2 | 167.7 | -168.2 | -92.5 | 0 | 0 | 0 | 110.1 | F352 E354 T363 K369 L370 F400 | F352-F365 HydrophobicContact CB-CB 4.25Å; F352-F365 PolarHBondContact O-N 2.78Å; E354-F365 HydrophobicContact CB-CB 4.31Å; E354-F365 HydrophobicContact CB-CD2 4.14Å; E354-F365 HydrophobicContact CG-CD2 4.47Å; T363-F365 PolarHBondContact O-N 2.76Å; F365-K369 HydrophobicContact CE1-CB 3.67Å; F365-K369 HydrophobicContact CZ-CB 3.82Å; F365-L370 HydrophobicContact CD1-CD2 3.59Å; F365-L370 HydrophobicContact CD1-CG 4.25Å; F365-L370 HydrophobicContact CE1-CD2 3.81Å; F365-L370 HydrophobicContact CE1-CG 4.34Å; F365-F400 AromaticContact CD1-CE2 3.8Å; F365-F400 HydrophobicContact CD1-CE2 3.8Å; F365-F400 AromaticContact CD1-CZ 3.88Å; F365-F400 HydrophobicContact CD1-CZ 3.88Å; F365-F400 HydrophobicContact CD2-CE2 4.04Å; F365-F400 HydrophobicContact CD2-CZ 4.49Å; F365-F400 AromaticContact CE1-CE2 3.62Å; F365-F400 HydrophobicContact CE1-CE2 3.62Å; F365-F400 HydrophobicContact CE1-CZ 4.13Å; F365-F400 AromaticContact CE2-CE2 3.88Å; F365-F400 HydrophobicContact CE2-CE2 3.88Å; F365-F400 HydrophobicContact CG-CE2 4Å; F365-F400 HydrophobicContact CG-CZ 4.07Å; F365-F400 HydrophobicContact CZ-CD2 4.43Å; F365-F400 AromaticContact CZ-CE2 3.66Å; F365-F400 HydrophobicContact CZ-CE2 3.66Å |
| 366 | P | 95.2 | Very high | 92.5 | Very high | 45 Ų | 45 | 70.2 Ų | 70.2 | 29% | 0.292 | 36% | 0.363 | S | S | . | . | P | Polyproline II helix | trans | -65.3 | 131.4 | 178.5 | -20.9 | 33.5 | 0 | 0 | 0 | 112.6 | E368 K369 | P366-E368 VanDerWaalsContact C-N 3.3Å; P366-E368 VanDerWaalsContact CB-OE2 3.23Å; P366-E368 WeakPolarHBondContact CB-OE2 3.49Å; P366-E368 PolarHBondContact O-N 3.41Å; P366-K369 HydrophobicContact CB-CD 4.23Å; P366-K369 HydrophobicContact CB-CG 4.28Å; P366-K369 HydrophobicContact CG-CD 4.21Å; P366-K369 PolarHBondContact O-N 3.39Å |
| 367 | E | 92.8 | Very high | 92.9 | Very high | 95 Ų | 95 | 63.9 Ų | 63.9 | 44% | 0.444 | 34% | 0.336 | S | S | . | . | G | 310 helix | trans | -69 | -30 | -174.6 | -179.9 | 139.5 | -139.6 | 0 | 0 | 112.4 | K369 L370 R374 | E367-K369 PolarHBondContact O-N 2.83Å; E367-K369 VanDerWaalsContact O-N 3.12Å; E367-L370 HydrophobicContact CG-CD1 4.12Å; E367-L370 PolarHBondContact O-N 2.75Å; E367-L370 VanDerWaalsContact O-N 3.15Å; E367-R374 IonicContact OE1-NH1 3.88Å; E367-R374 PolarHBondContact OE1-NH1 3.22Å |
| 368 | E | 93.1 | Very high | 93.4 | Very high | 167 Ų | 167 | 60.4 Ų | 60.4 | 78% | 0.78 | 32% | 0.315 | S | S | * | . | G | 310 helix | trans | -66.1 | -15.3 | 178 | -44.7 | 74.6 | -163.6 | 0 | 0 | 112.6 | P366 | P366-E368 VanDerWaalsContact C-N 3.3Å; P366-E368 VanDerWaalsContact CB-OE2 3.23Å; P366-E368 WeakPolarHBondContact CB-OE2 3.49Å; P366-E368 PolarHBondContact O-N 3.41Å |
| 369 | K | 94.6 | Very high | 94.1 | Very high | 150 Ų | 150 | 55.6 Ų | 55.6 | 65% | 0.652 | 28% | 0.284 | S | S | * | . | G | 310 helix | trans | -103.8 | 1.9 | -179.7 | -63.1 | -175.9 | -179.1 | -179 | 0 | 113.4 | F365 P366 E367 | F365-K369 HydrophobicContact CE1-CB 3.67Å; F365-K369 HydrophobicContact CZ-CB 3.82Å; P366-K369 HydrophobicContact CB-CD 4.23Å; P366-K369 HydrophobicContact CB-CG 4.28Å; P366-K369 HydrophobicContact CG-CD 4.21Å; P366-K369 PolarHBondContact O-N 3.39Å; E367-K369 PolarHBondContact O-N 2.83Å; E367-K369 VanDerWaalsContact O-N 3.12Å |
| 370 | L | 95.6 | Very high | 94.6 | Very high | 23 Ų | 23 | 51 Ų | 51 | 12% | 0.12 | 27% | 0.268 | C | S | . | . | trans | -68.9 | 137.5 | 178.1 | -68.9 | 175.9 | 0 | 0 | 0 | 110.8 | F352 F365 E367 F400 | F352-L370 HydrophobicContact CD2-CD1 4.14Å; F352-L370 HydrophobicContact CD2-CD2 3.67Å; F352-L370 HydrophobicContact CE2-CD1 4.17Å; F352-L370 HydrophobicContact CE2-CD2 4.09Å; F365-L370 HydrophobicContact CD1-CD2 3.59Å; F365-L370 HydrophobicContact CD1-CG 4.25Å; F365-L370 HydrophobicContact CE1-CD2 3.81Å; F365-L370 HydrophobicContact CE1-CG 4.34Å; E367-L370 HydrophobicContact CG-CD1 4.12Å; E367-L370 PolarHBondContact O-N 2.75Å; E367-L370 VanDerWaalsContact O-N 3.15Å; L370-F400 HydrophobicContact CD2-CE1 3.74Å; L370-F400 HydrophobicContact CD2-CE2 3.98Å; L370-F400 HydrophobicContact CD2-CZ 3.4Å | ||
| 371 | P | 96.6 | Very high | 94.8 | Very high | 17 Ų | 17 | 53.5 Ų | 53.5 | 11% | 0.11 | 28% | 0.277 | C | S | . | . | trans | -67.8 | 166.5 | 174.9 | 31.4 | -36.2 | 0 | 0 | 0 | 111.2 | P373 P375 D396 F400 | P371-P373 CarbonylContact O-C 3.47Å; P371-P375 HydrophobicContact CG-CG 3.77Å; P371-D396 HydrophobicContact CB-CB 4.21Å; P371-D396 VanDerWaalsContact CB-OD2 3.25Å; P371-D396 WeakPolarHBondContact CB-OD2 3.25Å; P371-F400 HydrophobicContact CG-CB 3.84Å; P371-F400 HydrophobicContact CG-CG 4.1Å | ||
| 372 | K | 94.6 | Very high | 94.8 | Very high | 178 Ų | 178 | 50.8 Ų | 50.8 | 77% | 0.774 | 27% | 0.273 | S | S | * | . | S | Bend | trans | -122.4 | 128.7 | -177.8 | -66.9 | -177.1 | -179.4 | 178.6 | 0 | 110.1 | ||
| 373 | P | 95.7 | Very high | 94.6 | Very high | 7 Ų | 7 | 53 Ų | 53 | 5% | 0.045 | 29% | 0.291 | C | S | . | . | S | Bend | cis | -73 | 161.2 | 7.4 | 33.1 | -34.8 | 0 | 0 | 0 | 112.2 | P371 P375 P383 A384 F387 F393 T397 | P371-P373 CarbonylContact O-C 3.47Å; P373-P375 WeakPolarHBondContact O-CD 3.34Å; P373-P383 WeakPolarHBondContact CB-O 3.32Å; P373-A384 HydrophobicContact CB-CB 3.81Å; P373-A384 HydrophobicContact CG-CB 4.26Å; P373-F387 HydrophobicContact CB-CD2 4.18Å; P373-F387 HydrophobicContact CB-CE2 3.88Å; P373-F387 HydrophobicContact CG-CD2 3.83Å; P373-F387 HydrophobicContact CG-CE2 3.57Å; P373-F387 HydrophobicContact CG-CZ 4.14Å; P373-F393 HydrophobicContact CG-CD1 3.79Å; P373-F393 HydrophobicContact CG-CE1 3.94Å; P373-F393 HydrophobicContact CG-CG 4.49Å; P373-T397 HydrophobicContact CG-CG2 4.36Å; P373-T397 WeakPolarHBondContact O-CG2 3.22Å |
| 374 | R | 96.3 | Very high | 94.6 | Very high | 33 Ų | 33 | 50.9 Ų | 50.9 | 13% | 0.125 | 28% | 0.278 | C | S | . | . | P | Polyproline II helix | trans | -58 | 124.3 | -176.5 | 176.7 | 178.5 | 161.9 | 102.2 | 10.8 | 110.3 | F348 M349 G350 E367 S377 P383 | F348-R374 PolarHBondContact O-NH2 3.29Å; M349-R374 PolarHBondContact O-NH1 3.16Å; M349-R374 PolarHBondContact O-NH2 2.9Å; G350-R374 PolarHBondContact O-NH1 3.11Å; G350-R374 PolarHBondContact O-NH2 3.4Å; E367-R374 IonicContact OE1-NH1 3.88Å; E367-R374 PolarHBondContact OE1-NH1 3.22Å; R374-S377 WeakPolarHBondContact O-CB 3.44Å; R374-S377 PolarHBondContact O-N 3.4Å; R374-S377 PolarHBondContact O-OG 3.36Å; R374-P383 HydrophobicContact CB-CB 4.05Å |
| 375 | P | 97.3 | Very high | 94.4 | Very high | 3 Ų | 3 | 51.4 Ų | 51.4 | 2% | 0.019 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -47.7 | 138.8 | 174.8 | -31.6 | 36.8 | 0 | 0 | 0 | 113.3 | F352 P371 P373 S377 T397 F400 I401 | F352-P375 HydrophobicContact CE1-CB 4.49Å; F352-P375 HydrophobicContact CE2-CB 4.35Å; F352-P375 HydrophobicContact CZ-CB 3.87Å; P371-P375 HydrophobicContact CG-CG 3.77Å; P373-P375 WeakPolarHBondContact O-CD 3.34Å; P375-S377 VanDerWaalsContact C-N 3.35Å; P375-T397 HydrophobicContact CG-CG2 4.23Å; P375-F400 HydrophobicContact CB-CD1 3.86Å; P375-F400 HydrophobicContact CB-CE1 4.32Å; P375-F400 HydrophobicContact CG-CB 4.41Å; P375-F400 HydrophobicContact CG-CD1 3.46Å; P375-F400 VanDerWaalsContact CG-CD1 3.46Å; P375-F400 HydrophobicContact CG-CE1 4.06Å; P375-F400 HydrophobicContact CG-CG 4.16Å; P375-I401 HydrophobicContact CB-CB 4.19Å; P375-I401 HydrophobicContact CB-CG1 4.47Å |
| 376 | G | 94.8 | Very high | 94.4 | Very high | 3 Ų | 3 | 55.1 Ų | 55.1 | 3% | 0.031 | 32% | 0.316 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 79.3 | 10.2 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | R265 | R265-G376 PolarHBondContact NH2-O 3.17Š|
| 377 | S | 95 | Very high | 94.4 | Very high | 6 Ų | 6 | 55 Ų | 55 | 4% | 0.042 | 31% | 0.311 | C | S | . | . | P | Polyproline II helix | trans | -91 | 147.6 | 172.4 | -54 | 0 | 0 | 0 | 0 | 111.8 | R374 P375 | R374-S377 WeakPolarHBondContact O-CB 3.44Å; R374-S377 PolarHBondContact O-N 3.4Å; R374-S377 PolarHBondContact O-OG 3.36Å; P375-S377 VanDerWaalsContact C-N 3.35Å |
| 378 | C | 96.1 | Very high | 94.4 | Very high | 3 Ų | 3 | 59.2 Ų | 59.2 | 2% | 0.02 | 33% | 0.328 | C | S | . | . | P | Polyproline II helix | trans | -86.7 | 136.9 | 178.9 | -49.8 | 0 | 0 | 0 | 0 | 111.7 | Y240 C267 H381 A384 | Y240-C378 WeakPolarHBondContact CE1-SG 3.32Å; C267-C378 HydrophobicContact CB-CB 3.81Å; C267-C378 WeakPolarHBondContact CB-SG 3.48Å; C267-C378 WeakPolarHBondContact SG-CA 3.4Å; C267-C378 WeakPolarHBondContact SG-CB 3.46Å; C267-C378 PolarHBondContact SG-N 3.32Å; C267-C378 VanDerWaalsContact SG-N 3.41Å; C267-C378 CovalentContact SG-SG 2.04Å; C267-C378 PolarHBondContact SG-SG 2.93Å; C378-H381 HydrophobicContact CB-CB 4.44Å; C378-H381 PolarHBondContact O-N 3.34Å; C378-H381 VanDerWaalsContact O-N 3.16Å; C378-H381 VanDerWaalsContact O-O 3.13Å; C378-A384 WeakPolarHBondContact O-CB 3.35Å |
| 379 | A | 95.8 | Very high | 94.5 | Very high | 2 Ų | 2 | 52.8 Ų | 52.8 | 2% | 0.017 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.5 | 146.1 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111 | N269 H381 F393 | N269-A379 PolarHBondContact ND2-O 3.08Å; A379-H381 PolarHBondContact O-N 3.17Å; A379-H381 PolarHBondContact O-ND1 3.3Å; A379-F393 HydrophobicContact CB-CE1 4.23Å; A379-F393 HydrophobicContact CB-CZ 4.11Å |
| 380 | G | 93.8 | Very high | 94.5 | Very high | 41 Ų | 41 | 45.7 Ų | 45.7 | 42% | 0.423 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 73.1 | -1.6 | -175.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | A384 F387 | G380-A384 PolarHBondContact N-O 2.81Å; G380-F387 PolarHBondContact N-O 2.95Å |
| 381 | H | 91.9 | Very high | 94.6 | Very high | 81 Ų | 81 | 47.9 Ų | 47.9 | 38% | 0.375 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -135 | 144 | -171.9 | -62 | 89.2 | 0 | 0 | 0 | 113.7 | N239 C378 A379 A384 A385 | N239-H381 PolarHBondContact ND2-CD2 3.29Å; N239-H381 PolarHBondContact ND2-NE2 3.23Å; C378-H381 HydrophobicContact CB-CB 4.44Å; C378-H381 PolarHBondContact O-N 3.34Å; C378-H381 VanDerWaalsContact O-N 3.16Å; C378-H381 VanDerWaalsContact O-O 3.13Å; A379-H381 PolarHBondContact O-N 3.17Å; A379-H381 PolarHBondContact O-ND1 3.3Å; H381-A384 CarbonylContact O-C 3.49Å; H381-A384 PolarHBondContact O-N 3.3Å; H381-A385 PolarHBondContact O-N 2.67Å |
| 382 | G | 90.3 | Very high | 94.5 | Very high | 62 Ų | 62 | 51.8 Ų | 51.8 | 64% | 0.639 | 30% | 0.302 | S | S | * | . | G | 310 helix | trans | 52.1 | -131.1 | 171.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | A384 A385 | G382-A384 PolarHBondContact O-N 3.08Å; G382-A385 WeakPolarHBondContact O-CB 3.31Å; G382-A385 PolarHBondContact O-N 3.08Å; G382-A385 VanDerWaalsContact O-N 3.13Å |
| 383 | P | 90.1 | Very high | 94.7 | Very high | 76 Ų | 76 | 43.8 Ų | 43.8 | 49% | 0.494 | 27% | 0.267 | S | S | . | . | G | 310 helix | trans | -60.6 | -8.5 | 178.3 | -23.8 | 34.6 | 0 | 0 | 0 | 116.1 | P373 R374 | P373-P383 WeakPolarHBondContact CB-O 3.32Å; R374-P383 HydrophobicContact CB-CB 4.05Å |
| 384 | A | 93.9 | Very high | 94.8 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 28% | 0.279 | C | S | . | . | G | 310 helix | trans | -118.6 | 16 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | P373 C378 G380 H381 G382 S386 F387 F393 | P373-A384 HydrophobicContact CB-CB 3.81Å; P373-A384 HydrophobicContact CG-CB 4.26Å; C378-A384 WeakPolarHBondContact O-CB 3.35Å; G380-A384 PolarHBondContact N-O 2.81Å; H381-A384 CarbonylContact O-C 3.49Å; H381-A384 PolarHBondContact O-N 3.3Å; G382-A384 PolarHBondContact O-N 3.08Å; A384-S386 PolarHBondContact O-N 3.28Å; A384-S386 VanDerWaalsContact O-N 3.09Å; A384-F387 PolarHBondContact O-N 2.95Å; A384-F393 HydrophobicContact CB-CE1 4.06Å; A384-F393 HydrophobicContact CB-CZ 4.31Å |
| 385 | A | 93.9 | Very high | 94.8 | Very high | 62 Ų | 62 | 46.2 Ų | 46.2 | 51% | 0.512 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -20.1 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | H381 G382 F387 | H381-A385 PolarHBondContact O-N 2.67Å; G382-A385 WeakPolarHBondContact O-CB 3.31Å; G382-A385 PolarHBondContact O-N 3.08Å; G382-A385 VanDerWaalsContact O-N 3.13Å; A385-F387 VanDerWaalsContact C-N 3.32Å |
| 386 | S | 95 | Very high | 94.8 | Very high | 104 Ų | 104 | 50.2 Ų | 50.2 | 73% | 0.727 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.9 | -15.2 | 175.4 | 54.7 | 0 | 0 | 0 | 0 | 114.6 | A384 | A384-S386 PolarHBondContact O-N 3.28Å; A384-S386 VanDerWaalsContact O-N 3.09Å |
| 387 | F | 95.6 | Very high | 94.9 | Very high | 43 Ų | 43 | 50.4 Ų | 50.4 | 19% | 0.189 | 31% | 0.306 | C | S | . | . | trans | -103 | 133.4 | -178.5 | -61.9 | -92.2 | 0 | 0 | 0 | 109.7 | P373 G380 A384 A385 E392 F393 P394 | P373-F387 HydrophobicContact CB-CD2 4.18Å; P373-F387 HydrophobicContact CB-CE2 3.88Å; P373-F387 HydrophobicContact CG-CD2 3.83Å; P373-F387 HydrophobicContact CG-CE2 3.57Å; P373-F387 HydrophobicContact CG-CZ 4.14Å; G380-F387 PolarHBondContact N-O 2.95Å; A384-F387 PolarHBondContact O-N 2.95Å; A385-F387 VanDerWaalsContact C-N 3.32Å; F387-E392 HydrophobicContact CD1-CB 4Å; F387-E392 WeakPolarHBondContact CD1-O 3.18Å; F387-E392 WeakPolarHBondContact CE1-O 3.35Å; F387-F393 HydrophobicContact CB-CD1 4.05Å; F387-F393 HydrophobicContact CB-CE1 3.85Å; F387-F393 HydrophobicContact CD1-CD1 4.05Å; F387-F393 HydrophobicContact CD2-CD1 4.33Å; F387-F393 HydrophobicContact CD2-CE1 4.35Å; F387-F393 AromaticContact CG-CD1 3.88Å; F387-F393 HydrophobicContact CG-CD1 3.88Å; F387-F393 HydrophobicContact CG-CE1 4.04Å; F387-P394 HydrophobicContact CE1-CG 4.4Å; F387-P394 HydrophobicContact CZ-CG 4.35Å | ||
| 388 | K | 93.6 | Very high | 95.1 | Very high | 182 Ų | 182 | 50.1 Ų | 50.1 | 79% | 0.791 | 31% | 0.305 | S | S | * | . | S | Bend | trans | -85 | -26.9 | 178.3 | -61.8 | 177.4 | -179.6 | 177 | 0 | 112.2 | E392 | K388-E392 WeakPolarHBondContact CA-OE2 3.44Å; K388-E392 WeakPolarHBondContact CB-OE2 3.41Å; K388-E392 PolarHBondContact N-OE2 2.91Å |
| 389 | S | 94.4 | Very high | 95.1 | Very high | 32 Ų | 32 | 54.4 Ų | 54.4 | 22% | 0.224 | 32% | 0.324 | C | S | . | . | S | Bend | trans | -143.8 | 149.8 | -175.4 | 173 | 0 | 0 | 0 | 0 | 111.7 | V271 V391 E392 | V271-S389 VanDerWaalsContact CG2-OG 3.28Å; V271-S389 WeakPolarHBondContact CG2-OG 3.36Å; S389-V391 PolarHBondContact O-N 2.85Å; S389-V391 PolarHBondContact OG-N 2.99Å; S389-E392 PolarHBondContact N-OE2 2.71Å; S389-E392 VanDerWaalsContact N-OE2 3.16Å; S389-E392 WeakPolarHBondContact O-CB 3.46Å; S389-E392 PolarHBondContact O-N 3.33Å |
| 390 | S | 95.4 | Very high | 95.2 | Very high | 2 Ų | 2 | 55.2 Ų | 55.2 | 1% | 0.014 | 33% | 0.327 | C | S | . | . | G | 310 helix | trans | -66.8 | -17.7 | 174.2 | 58.1 | 0 | 0 | 0 | 0 | 113.8 | D270 V271 G272 T283 E392 F393 | D270-S390 PolarHBondContact OD1-OG 2.97Å; V271-S390 VanDerWaalsContact CG2-OG 3.23Å; V271-S390 WeakPolarHBondContact CG2-OG 3.25Å; V271-S390 PolarHBondContact N-OG 3.02Å; G272-S390 PolarHBondContact N-OG 3.08Å; G272-S390 CarbonylContact O-C 3.49Å; G272-S390 WeakPolarHBondContact O-CB 3.38Å; G272-S390 PolarHBondContact O-OG 2.59Å; T283-S390 WeakPolarHBondContact OG1-CB 3.37Å; S390-E392 PolarHBondContact O-N 3.12Å; S390-F393 WeakPolarHBondContact O-CB 3.37Å; S390-F393 WeakPolarHBondContact O-CD2 3.04Å; S390-F393 PolarHBondContact O-N 2.66Å |
| 391 | V | 95.9 | Very high | 95.4 | Very high | 69 Ų | 69 | 53.3 Ų | 53.3 | 42% | 0.418 | 31% | 0.308 | S | S | . | . | G | 310 helix | trans | -68.4 | -24.3 | 172.1 | -175.1 | 0 | 0 | 0 | 0 | 111.4 | V271 G272 S389 F393 | V271-V391 HydrophobicContact CG2-CG2 4Å; G272-V391 PolarHBondContact O-N 2.79Å; S389-V391 PolarHBondContact O-N 2.85Å; S389-V391 PolarHBondContact OG-N 2.99Å; V391-F393 VanDerWaalsContact C-N 3.34Å |
| 392 | E | 96.1 | Very high | 95.7 | Very high | 99 Ų | 99 | 53.1 Ų | 53.1 | 46% | 0.463 | 31% | 0.305 | S | S | . | . | G | 310 helix | trans | -84.1 | -7.3 | 177.9 | -57.5 | 172.5 | 158.3 | 0 | 0 | 112.8 | F387 K388 S389 S390 | F387-E392 HydrophobicContact CD1-CB 4Å; F387-E392 WeakPolarHBondContact CD1-O 3.18Å; F387-E392 WeakPolarHBondContact CE1-O 3.35Å; K388-E392 WeakPolarHBondContact CA-OE2 3.44Å; K388-E392 WeakPolarHBondContact CB-OE2 3.41Å; K388-E392 PolarHBondContact N-OE2 2.91Å; S389-E392 PolarHBondContact N-OE2 2.71Å; S389-E392 VanDerWaalsContact N-OE2 3.16Å; S389-E392 WeakPolarHBondContact O-CB 3.46Å; S389-E392 PolarHBondContact O-N 3.33Å; S390-E392 PolarHBondContact O-N 3.12Å |
| 393 | F | 97.5 | Very high | 95.9 | Very high | 10 Ų | 10 | 51.8 Ų | 51.8 | 4% | 0.044 | 29% | 0.287 | C | S | . | . | S | Bend | trans | -63.8 | 140 | 177.8 | -68.3 | -23.2 | 0 | 0 | 0 | 111 | P373 A379 A384 F387 S390 V391 L398 | P373-F393 HydrophobicContact CG-CD1 3.79Å; P373-F393 HydrophobicContact CG-CE1 3.94Å; P373-F393 HydrophobicContact CG-CG 4.49Å; A379-F393 HydrophobicContact CB-CE1 4.23Å; A379-F393 HydrophobicContact CB-CZ 4.11Å; A384-F393 HydrophobicContact CB-CE1 4.06Å; A384-F393 HydrophobicContact CB-CZ 4.31Å; F387-F393 HydrophobicContact CB-CD1 4.05Å; F387-F393 HydrophobicContact CB-CE1 3.85Å; F387-F393 HydrophobicContact CD1-CD1 4.05Å; F387-F393 HydrophobicContact CD2-CD1 4.33Å; F387-F393 HydrophobicContact CD2-CE1 4.35Å; F387-F393 AromaticContact CG-CD1 3.88Å; F387-F393 HydrophobicContact CG-CD1 3.88Å; F387-F393 HydrophobicContact CG-CE1 4.04Å; S390-F393 WeakPolarHBondContact O-CB 3.37Å; S390-F393 WeakPolarHBondContact O-CD2 3.04Å; S390-F393 PolarHBondContact O-N 2.66Å; V391-F393 VanDerWaalsContact C-N 3.34Å; F393-L398 HydrophobicContact CB-CD1 4.29Å; F393-L398 HydrophobicContact CB-CD2 4Å; F393-L398 HydrophobicContact CB-CG 4.01Å; F393-L398 HydrophobicContact CD2-CD2 4.13Å; F393-L398 WeakPolarHBondContact O-CD1 3.41Å |
| 394 | P | 97.3 | Very high | 96.3 | Very high | 45 Ų | 45 | 49 Ų | 49 | 29% | 0.292 | 27% | 0.267 | S | S | . | . | trans | -71.3 | 152.7 | -179.1 | -7.3 | 23.7 | 0 | 0 | 0 | 111.3 | F387 D396 T397 L398 | F387-P394 HydrophobicContact CE1-CG 4.4Å; F387-P394 HydrophobicContact CZ-CG 4.35Å; P394-D396 WeakPolarHBondContact CB-OD1 3.42Å; P394-D396 PolarHBondContact O-N 2.03Å; P394-D396 VanDerWaalsContact O-N 3.15Å; P394-T397 WeakPolarHBondContact O-CB 3.37Å; P394-T397 PolarHBondContact O-N 2.74Å; P394-T397 VanDerWaalsContact O-N 3.15Å; P394-L398 PolarHBondContact O-N 2.95Å | ||
| 395 | D | 97.4 | Very high | 96.4 | Very high | 45 Ų | 45 | 49.2 Ų | 49.2 | 24% | 0.241 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -62.1 | -25.1 | -173 | -76.8 | 14.7 | 0 | 0 | 0 | 113.6 | S274 R276 V277 Q399 | S274-D395 PolarHBondContact OG-OD1 3.34Å; R276-D395 WeakPolarHBondContact CB-OD2 3.12Å; R276-D395 WeakPolarHBondContact CD-OD2 3.15Å; R276-D395 IonicContact CZ-OD1 2.71Å; R276-D395 IonicContact CZ-OD2 2.72Å; R276-D395 VanDerWaalsContact CZ-OD2 3.23Å; R276-D395 VanDerWaalsContact NE-CG 3.26Å; R276-D395 IonicContact NE-OD1 2.66Å; R276-D395 PolarHBondContact NE-OD1 2.72Å; R276-D395 VanDerWaalsContact NE-OD1 3.09Å; R276-D395 IonicContact NE-OD2 2.89Å; R276-D395 PolarHBondContact NE-OD2 2.89Å; R276-D395 IonicContact NH2-OD1 3.28Å; R276-D395 PolarHBondContact NH2-OD1 3.2Å; R276-D395 IonicContact NH2-OD2 3.66Å; R276-D395 PolarHBondContact NH2-OD2 3.34Å; V277-D395 HydrophobicContact CG2-CB 4Å; D395-Q399 WeakPolarHBondContact O-CB 3.3Å; D395-Q399 PolarHBondContact O-N 3.23Å |
| 396 | D | 97.1 | Very high | 96.6 | Very high | 88 Ų | 88 | 46.4 Ų | 46.4 | 47% | 0.471 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -65.3 | -43.3 | 176.8 | 68.6 | -19.6 | 0 | 0 | 0 | 111.7 | P371 P394 F400 | P371-D396 HydrophobicContact CB-CB 4.21Å; P371-D396 VanDerWaalsContact CB-OD2 3.25Å; P371-D396 WeakPolarHBondContact CB-OD2 3.25Å; P394-D396 WeakPolarHBondContact CB-OD1 3.42Å; P394-D396 PolarHBondContact O-N 2.03Å; P394-D396 VanDerWaalsContact O-N 3.15Å; D396-F400 WeakPolarHBondContact O-CB 3.24Å; D396-F400 PolarHBondContact O-N 2.04Å |
| 397 | T | 97.5 | Very high | 96.8 | Very high | 6 Ų | 6 | 41.6 Ų | 41.6 | 4% | 0.037 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -66.6 | -44.7 | 178.3 | -57.7 | 0 | 0 | 0 | 0 | 110.4 | P373 P375 P394 I401 | P373-T397 HydrophobicContact CG-CG2 4.36Å; P373-T397 WeakPolarHBondContact O-CG2 3.22Å; P375-T397 HydrophobicContact CG-CG2 4.23Å; P394-T397 WeakPolarHBondContact O-CB 3.37Å; P394-T397 PolarHBondContact O-N 2.74Å; P394-T397 VanDerWaalsContact O-N 3.15Å; T397-I401 PolarHBondContact O-N 2.69Å |
| 398 | L | 98.1 | Very high | 96.8 | Very high | 1 Ų | 1 | 40.8 Ų | 40.8 | 1% | 0.005 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -68.3 | -41.1 | 177.5 | -64.9 | 173.9 | 0 | 0 | 0 | 112.1 | V277 L278 T283 F393 P394 K402 | V277-L398 HydrophobicContact CB-CB 3.81Å; V277-L398 HydrophobicContact CB-CD1 4.3Å; V277-L398 HydrophobicContact CG1-CB 3.62Å; L278-L398 HydrophobicContact CD1-CB 4.27Å; L278-L398 HydrophobicContact CD1-CD2 4.24Å; L278-L398 VanDerWaalsContact CD1-O 3.25Å; L278-L398 WeakPolarHBondContact CD1-O 3.03Å; T283-L398 HydrophobicContact CG2-CD2 3.56Å; F393-L398 HydrophobicContact CB-CD1 4.29Å; F393-L398 HydrophobicContact CB-CD2 4Å; F393-L398 HydrophobicContact CB-CG 4.01Å; F393-L398 HydrophobicContact CD2-CD2 4.13Å; F393-L398 WeakPolarHBondContact O-CD1 3.41Å; P394-L398 PolarHBondContact O-N 2.95Å; L398-K402 VanDerWaalsContact O-CB 3.23Å; L398-K402 WeakPolarHBondContact O-CB 2.98Å; L398-K402 PolarHBondContact O-N 3.46Å; L398-K402 VanDerWaalsContact O-N 3.14Å |
| 399 | Q | 97.5 | Very high | 97 | Very high | 93 Ų | 93 | 35 Ų | 35 | 44% | 0.435 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -74.3 | -29.8 | 178.2 | -178.2 | 61.5 | 17.9 | 0 | 0 | 111.7 | V277 D395 S403 | V277-Q399 HydrophobicContact CG1-CB 4.26Å; D395-Q399 WeakPolarHBondContact O-CB 3.3Å; D395-Q399 PolarHBondContact O-N 3.23Å; Q399-S403 PolarHBondContact O-N 2.81Å; Q399-S403 PolarHBondContact O-OG 2.88Å |
| 400 | F | 97.8 | Very high | 97.2 | Very high | 19 Ų | 19 | 35.2 Ų | 35.2 | 8% | 0.083 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -64.9 | -56.4 | 171.3 | -176.2 | -84.4 | 0 | 0 | 0 | 111.4 | F352 F365 L370 P371 P375 D396 K402 S403 H404 | F352-F400 HydrophobicContact CB-CE1 4.17Å; F352-F400 HydrophobicContact CB-CZ 4Å; F352-F400 AromaticContact CD1-CE1 3.99Å; F352-F400 HydrophobicContact CD1-CE1 3.99Å; F352-F400 AromaticContact CD2-CE1 3.82Å; F352-F400 HydrophobicContact CD2-CE1 3.82Å; F352-F400 HydrophobicContact CD2-CZ 4.15Å; F352-F400 HydrophobicContact CE1-CE1 4.34Å; F352-F400 HydrophobicContact CE2-CE1 4.2Å; F352-F400 AromaticContact CG-CE1 3.71Å; F352-F400 HydrophobicContact CG-CE1 3.71Å; F352-F400 HydrophobicContact CG-CZ 4.02Å; F352-F400 HydrophobicContact CZ-CE1 4.44Å; F365-F400 AromaticContact CD1-CE2 3.8Å; F365-F400 HydrophobicContact CD1-CE2 3.8Å; F365-F400 AromaticContact CD1-CZ 3.88Å; F365-F400 HydrophobicContact CD1-CZ 3.88Å; F365-F400 HydrophobicContact CD2-CE2 4.04Å; F365-F400 HydrophobicContact CD2-CZ 4.49Å; F365-F400 AromaticContact CE1-CE2 3.62Å; F365-F400 HydrophobicContact CE1-CE2 3.62Å; F365-F400 HydrophobicContact CE1-CZ 4.13Å; F365-F400 AromaticContact CE2-CE2 3.88Å; F365-F400 HydrophobicContact CE2-CE2 3.88Å; F365-F400 HydrophobicContact CG-CE2 4Å; F365-F400 HydrophobicContact CG-CZ 4.07Å; F365-F400 HydrophobicContact CZ-CD2 4.43Å; F365-F400 AromaticContact CZ-CE2 3.66Å; F365-F400 HydrophobicContact CZ-CE2 3.66Å; L370-F400 HydrophobicContact CD2-CE1 3.74Å; L370-F400 HydrophobicContact CD2-CE2 3.98Å; L370-F400 HydrophobicContact CD2-CZ 3.4Å; P371-F400 HydrophobicContact CG-CB 3.84Å; P371-F400 HydrophobicContact CG-CG 4.1Å; P375-F400 HydrophobicContact CB-CD1 3.86Å; P375-F400 HydrophobicContact CB-CE1 4.32Å; P375-F400 HydrophobicContact CG-CB 4.41Å; P375-F400 HydrophobicContact CG-CD1 3.46Å; P375-F400 VanDerWaalsContact CG-CD1 3.46Å; P375-F400 HydrophobicContact CG-CE1 4.06Å; P375-F400 HydrophobicContact CG-CG 4.16Å; D396-F400 WeakPolarHBondContact O-CB 3.24Å; D396-F400 PolarHBondContact O-N 2.04Å; F400-K402 PolarHBondContact O-N 3.08Å; F400-S403 CarbonylContact O-C 3.52Å; F400-S403 PolarHBondContact O-N 2.86Å; F400-S403 PolarHBondContact O-OG 2.97Å; F400-H404 HydrophobicContact CD1-CB 4.12Å; F400-H404 AromaticContact CD2-ND1 3.73Å; F400-H404 HydrophobicContact CE1-CB 3.66Å; F400-H404 HydrophobicContact CE2-CB 4.43Å; F400-H404 AromaticContact CE2-CG 3.94Å; F400-H404 AromaticContact CE2-ND1 3.66Å; F400-H404 HydrophobicContact CZ-CB 3.83Å; F400-H404 AromaticContact CZ-CG 3.77Å; F400-H404 AromaticContact CZ-ND1 3.95Å; F400-H404 WeakPolarHBondContact O-CB 3.04Å; F400-H404 PolarHBondContact O-N 2.84Å; F400-H404 PolarHBondContact O-ND1 2.84Å |
| 401 | I | 97.6 | Very high | 97.3 | Very high | 1 Ų | 1 | 35.1 Ų | 35.1 | 1% | 0.005 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -62.2 | -36.3 | -177.5 | -158.7 | -178.1 | 0 | 0 | 0 | 111.7 | L278 T283 F285 V286 P375 T397 S403 H404 | L278-I401 HydrophobicContact CD1-CG2 3.67Å; T283-I401 WeakPolarHBondContact O-CD1 3.32Å; F285-I401 WeakPolarHBondContact O-CD1 3.44Å; V286-I401 HydrophobicContact CG1-CD1 4.05Å; V286-I401 HydrophobicContact CG1-CG1 4.29Å; P375-I401 HydrophobicContact CB-CB 4.19Å; P375-I401 HydrophobicContact CB-CG1 4.47Å; T397-I401 PolarHBondContact O-N 2.69Å; I401-S403 PolarHBondContact O-N 2.84Å; I401-H404 CarbonylContact O-C 3.49Å; I401-H404 PolarHBondContact O-N 2.79Å |
| 402 | K | 97.3 | Very high | 97.4 | Very high | 76 Ų | 76 | 33.4 Ų | 33.4 | 33% | 0.33 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -53.7 | -35.6 | 172.2 | 175.1 | 169.1 | 172.2 | -168.8 | 0 | 113.5 | I218 W224 V277 L278 L398 F400 | I218-K402 HydrophobicContact CD1-CD 4.21Å; I218-K402 HydrophobicContact CD1-CG 3.77Å; W224-K402 PolarHBondContact NE1-O 3.27Å; V277-K402 HydrophobicContact CG1-CD 4.38Å; L278-K402 HydrophobicContact CD1-CB 4.15Å; L278-K402 HydrophobicContact CD2-CB 4.13Å; L278-K402 HydrophobicContact CD2-CD 4.22Å; L278-K402 HydrophobicContact CD2-CG 4.3Å; L278-K402 HydrophobicContact CG-CB 4.26Å; L278-K402 HydrophobicContact CG-CD 4.45Å; L398-K402 VanDerWaalsContact O-CB 3.23Å; L398-K402 WeakPolarHBondContact O-CB 2.98Å; L398-K402 PolarHBondContact O-N 3.46Å; L398-K402 VanDerWaalsContact O-N 3.14Å; F400-K402 PolarHBondContact O-N 3.08Å |
| 403 | S | 95.7 | Very high | 97.3 | Very high | 35 Ų | 35 | 28.9 Ų | 28.9 | 25% | 0.245 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -100.3 | -14.1 | -176.4 | 50.2 | 0 | 0 | 0 | 0 | 114.4 | K223 Q399 F400 I401 | K223-S403 WeakPolarHBondContact CD-O 3.41Å; K223-S403 PolarHBondContact NZ-O 2.83Å; Q399-S403 PolarHBondContact O-N 2.81Å; Q399-S403 PolarHBondContact O-OG 2.88Å; F400-S403 CarbonylContact O-C 3.52Å; F400-S403 PolarHBondContact O-N 2.86Å; F400-S403 PolarHBondContact O-OG 2.97Å; I401-S403 PolarHBondContact O-N 2.84Å |
| 404 | H | 96.8 | Very high | 97.1 | Very high | 18 Ų | 18 | 31 Ų | 31 | 8% | 0.083 | 17% | 0.172 | C | C | . | . | trans | -134 | 60.3 | -175.1 | -59.4 | 89.4 | 0 | 0 | 0 | 113.1 | F352 F400 I401 L406 | F352-H404 HydrophobicContact CB-CB 4.45Å; F352-H404 HydrophobicContact CD1-CB 4.39Å; F352-H404 VanDerWaalsContact CD1-O 3.25Å; F352-H404 WeakPolarHBondContact CD1-O 3.34Å; F400-H404 HydrophobicContact CD1-CB 4.12Å; F400-H404 AromaticContact CD2-ND1 3.73Å; F400-H404 HydrophobicContact CE1-CB 3.66Å; F400-H404 HydrophobicContact CE2-CB 4.43Å; F400-H404 AromaticContact CE2-CG 3.94Å; F400-H404 AromaticContact CE2-ND1 3.66Å; F400-H404 HydrophobicContact CZ-CB 3.83Å; F400-H404 AromaticContact CZ-CG 3.77Å; F400-H404 AromaticContact CZ-ND1 3.95Å; F400-H404 WeakPolarHBondContact O-CB 3.04Å; F400-H404 PolarHBondContact O-N 2.84Å; F400-H404 PolarHBondContact O-ND1 2.84Å; I401-H404 CarbonylContact O-C 3.49Å; I401-H404 PolarHBondContact O-N 2.79Å; H404-L406 VanDerWaalsContact C-N 3.27Å; H404-L406 PolarHBondContact O-N 3.39Å | ||
| 405 | P | 97.2 | Very high | 96.6 | Very high | 3 Ų | 3 | 31.1 Ų | 31.1 | 2% | 0.019 | 18% | 0.181 | C | C | . | . | trans | -75.6 | -10.5 | 176.9 | 32 | -37.3 | 0 | 0 | 0 | 113.9 | K223 W224 F285 V286 K287 | K223-P405 HydrophobicContact CB-CG 4Å; K223-P405 WeakPolarHBondContact O-CG 3.4Å; W224-P405 HydrophobicContact CG-CG 4.38Å; F285-P405 HydrophobicContact CD1-CB 3.94Å; F285-P405 HydrophobicContact CE1-CB 3.96Å; V286-P405 CarbonylContact C-O 3.47Å; V286-P405 WeakPolarHBondContact CA-O 3.4Å; K287-P405 PolarHBondContact N-O 3.07Å | ||
| 406 | L | 97.9 | Very high | 96.3 | Very high | 4 Ų | 4 | 33.4 Ų | 33.4 | 2% | 0.021 | 19% | 0.194 | C | C | . | . | B | Isolated β-bridge | trans | -100.4 | 130.6 | -173.9 | 179.9 | 62 | 0 | 0 | 0 | 111.7 | V250 E251 K287 K353 W362 H404 | V250-L406 HydrophobicContact CG2-CD2 3.82Å; E251-L406 HydrophobicContact CB-CD2 4.43Å; K287-L406 HydrophobicContact CG-CD1 4.11Å; K287-L406 WeakPolarHBondContact O-CA 3.4Å; K353-L406 HydrophobicContact CB-CB 4.45Å; K353-L406 HydrophobicContact CB-CD2 4.32Å; K353-L406 HydrophobicContact CB-CG 4.13Å; K353-L406 HydrophobicContact CD-CD2 3.98Å; K353-L406 HydrophobicContact CD-CG 4.34Å; K353-L406 PolarHBondContact N-O 3.05Å; W362-L406 HydrophobicContact CE3-CD2 4.27Å; W362-L406 HydrophobicContact CZ3-CD2 4.01Å; H404-L406 VanDerWaalsContact C-N 3.27Å; H404-L406 PolarHBondContact O-N 3.39Å |
| 407 | M | 98.2 | Very high | 96 | Very high | 3 Ų | 3 | 32.4 Ų | 32.4 | 2% | 0.015 | 19% | 0.186 | C | C | . | . | B | Isolated β-bridge | trans | -76.7 | 150.9 | 171 | -53.4 | -45.4 | -65.2 | 0 | 0 | 111.5 | V286 K287 A288 V347 F348 G350 F352 | V286-M407 HydrophobicContact CB-SD 4.24Å; V286-M407 HydrophobicContact CG1-SD 4.43Å; K287-M407 PolarHBondContact O-N 3.41Å; A288-M407 HydrophobicContact CB-CB 4.11Å; A288-M407 HydrophobicContact CB-CG 4.17Å; V347-M407 HydrophobicContact CG1-CB 4.19Å; V347-M407 HydrophobicContact CG1-CG 4.41Å; V347-M407 WeakPolarHBondContact O-CE 3.34Å; F348-M407 HydrophobicContact CD1-CG 3.76Å; F348-M407 HydrophobicContact CD1-SD 4.22Å; F348-M407 HydrophobicContact CE1-CG 4.12Å; G350-M407 VanDerWaalsContact O-CE 3.29Å; G350-M407 WeakPolarHBondContact O-CE 3.45Å; F352-M407 HydrophobicContact CD1-CE 4.15Å; F352-M407 HydrophobicContact CD1-SD 3.78Å; F352-M407 HydrophobicContact CD2-CE 4.34Å; F352-M407 HydrophobicContact CE1-CE 4.11Å; F352-M407 HydrophobicContact CE1-SD 3.66Å; F352-M407 HydrophobicContact CE2-CE 4.29Å; F352-M407 HydrophobicContact CG-CE 4.27Å; F352-M407 HydrophobicContact CG-SD 4.45Å; F352-M407 HydrophobicContact CZ-CE 4.17Å; F352-M407 HydrophobicContact CZ-SD 4.23Å |
| 408 | D | 97.5 | Very high | 95.9 | Very high | 26 Ų | 26 | 33 Ų | 33 | 14% | 0.139 | 19% | 0.19 | C | C | . | . | S | Bend | trans | -71.8 | -45 | -179.2 | 179.6 | 47.9 | 0 | 0 | 0 | 112.5 | R351 K353 P364 | R351-D408 HydrophobicContact CB-CB 4.18Å; R351-D408 IonicContact CZ-OD2 3.75Å; R351-D408 IonicContact NE-OD2 2.77Å; R351-D408 PolarHBondContact NE-OD2 3.46Å; R351-D408 IonicContact NH2-OD2 3.2Å; R351-D408 PolarHBondContact NH2-OD2 3.28Å; R351-D408 WeakPolarHBondContact O-CB 3.34Å; R351-D408 PolarHBondContact O-N 3.23Å; K353-D408 HydrophobicContact CB-CB 4.45Å; K353-D408 HydrophobicContact CG-CB 4.34Å; K353-D408 PolarHBondContact NZ-O 3.24Å; K353-D408 IonicContact NZ-OD1 3.95Å; K353-D408 PolarHBondContact NZ-OD1 3.05Å; P364-D408 HydrophobicContact CB-CB 4.46Å; P364-D408 WeakPolarHBondContact CB-OD2 3.38Å |
| 409 | T | 97.4 | Very high | 95.6 | Very high | 61 Ų | 61 | 33.4 Ų | 33.4 | 37% | 0.374 | 19% | 0.191 | S | C | . | . | S | Bend | trans | -86.9 | 151.8 | -177.8 | 47.9 | 0 | 0 | 0 | 0 | 112.4 | ||
| 410 | A | 97.9 | Very high | 95.5 | Very high | 35 Ų | 35 | 29.2 Ų | 29.2 | 29% | 0.289 | 17% | 0.172 | S | C | . | . | P | Polyproline II helix | trans | -87.5 | 155.8 | 166.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | R289 N291 | R289-A410 HydrophobicContact CB-CB 3.96Å; R289-A410 HydrophobicContact CG-CB 4.27Å; R289-A410 CarbonylContact O-C 3.6Å; R289-A410 VanDerWaalsContact O-CA 3.23Å; R289-A410 WeakPolarHBondContact O-CA 3.38Å; R289-A410 WeakPolarHBondContact O-CB 3.07Å; N291-A410 HydrophobicContact CB-CB 4.05Å |
| 411 | V | 98.6 | Very high | 95.3 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 17% | 0.171 | C | C | . | . | B | Isolated β-bridge | trans | -76.1 | 121.4 | 170.2 | -171.2 | 0 | 0 | 0 | 0 | 108.9 | V263 A288 R289 L290 N291 F339 D343 I344 V347 | V263-V411 HydrophobicContact CG1-CG2 3.92Å; A288-V411 HydrophobicContact CB-CG2 4.23Å; R289-V411 PolarHBondContact O-N 3.03Å; L290-V411 HydrophobicContact CD2-CB 4.07Å; L290-V411 HydrophobicContact CD2-CG2 4.16Å; N291-V411 VanDerWaalsContact CB-O 3.23Å; N291-V411 WeakPolarHBondContact CB-O 3.38Å; N291-V411 PolarHBondContact N-O 3.44Å; F339-V411 HydrophobicContact CB-CG1 4.44Å; F339-V411 HydrophobicContact CD1-CB 4.27Å; F339-V411 HydrophobicContact CD1-CG1 3.86Å; D343-V411 HydrophobicContact CB-CG1 4.38Å; I344-V411 HydrophobicContact CB-CG1 4.47Å; I344-V411 HydrophobicContact CG1-CG1 3.62Å; I344-V411 HydrophobicContact CG1-CG2 4.27Å; V347-V411 HydrophobicContact CB-CG2 4.15Å; V347-V411 HydrophobicContact CG1-CG2 4.17Å; V347-V411 HydrophobicContact CG2-CG2 4.17Å |
| 412 | P | 96.9 | Very high | 95.2 | Very high | 33 Ų | 33 | 29.4 Ų | 29.4 | 21% | 0.214 | 17% | 0.173 | C | C | . | . | P | Polyproline II helix | trans | -69.2 | 151.2 | 174.7 | 30.4 | -35.2 | 0 | 0 | 0 | 111.3 | F339 D343 D416 | F339-P412 VanDerWaalsContact CD1-O 3.27Å; F339-P412 WeakPolarHBondContact CD1-O 3.39Å; D343-P412 HydrophobicContact CB-CG 4.15Å; P412-D416 WeakPolarHBondContact CB-OD1 3.32Å |
| 413 | S | 95.2 | Very high | 95 | Very high | 5 Ų | 5 | 27.2 Ų | 27.2 | 4% | 0.035 | 17% | 0.167 | C | C | . | . | P | Polyproline II helix | trans | -78.7 | 156.1 | 167.7 | 48.7 | 0 | 0 | 0 | 0 | 111.1 | N291 A338 G415 D416 E417 | N291-S413 PolarHBondContact O-OG 2.84Å; A338-S413 CarbonylContact O-C 3.53Å; A338-S413 WeakPolarHBondContact O-CA 3.3Å; A338-S413 WeakPolarHBondContact O-CB 3.48Å; S413-G415 PolarHBondContact O-N 2.95Å; S413-D416 PolarHBondContact O-N 2.87Å; S413-E417 PolarHBondContact OG-O 3.46Å |
| 414 | I | 91.7 | Very high | 94.8 | Very high | 54 Ų | 54 | 33.1 Ų | 33.1 | 28% | 0.277 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | 105.9 | 179.2 | -61.9 | 177.1 | 0 | 0 | 0 | 109.2 | S319 A338 | S319-I414 WeakPolarHBondContact OG-CD1 3.28Å; A338-I414 HydrophobicContact CB-CB 4.42Å; A338-I414 HydrophobicContact CB-CD1 3.93Å; A338-I414 HydrophobicContact CB-CG1 4.31Å; A338-I414 PolarHBondContact O-N 2.79Å |
| 415 | G | 87.6 | Confident | 94.5 | Very high | 47 Ų | 47 | 33.8 Ų | 33.8 | 49% | 0.485 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 99.3 | 1.5 | -175.3 | 0 | 0 | 0 | 0 | 0 | 115 | S413 E417 | S413-G415 PolarHBondContact O-N 2.95Å; G415-E417 PolarHBondContact O-N 3.43Å; G415-E417 VanDerWaalsContact O-N 3.08Å |
| 416 | D | 90.9 | Very high | 94.2 | Very high | 94 Ų | 94 | 45 Ų | 45 | 50% | 0.503 | 23% | 0.231 | S | C | . | . | S | Bend | trans | 55.6 | 18.1 | -174.6 | -71.9 | -59.1 | 0 | 0 | 0 | 114.9 | P412 S413 | P412-D416 WeakPolarHBondContact CB-OD1 3.32Å; S413-D416 PolarHBondContact O-N 2.87Å |
| 417 | E | 91.1 | Very high | 94 | Very high | 67 Ų | 67 | 46.3 Ų | 46.3 | 31% | 0.313 | 24% | 0.235 | S | C | . | . | S | Bend | trans | -135.1 | 164 | 176.2 | 67.7 | -176.7 | 175.9 | 0 | 0 | 110.7 | S413 G415 K462 | S413-E417 PolarHBondContact OG-O 3.46Å; G415-E417 PolarHBondContact O-N 3.43Å; G415-E417 VanDerWaalsContact O-N 3.08Å; E417-K462 IonicContact OE1-NZ 3.39Å; E417-K462 PolarHBondContact OE1-NZ 2.97Å; E417-K462 IonicContact OE2-NZ 3.6Å |
| 418 | P | 94.3 | Very high | 93.9 | Very high | 18 Ų | 18 | 47 Ų | 47 | 12% | 0.117 | 24% | 0.238 | C | C | . | . | trans | -78.7 | 142.6 | 170.9 | -10.3 | 28.9 | 0 | 0 | 0 | 111.6 | S293 V294 A335 V336 F420 T421 | S293-P418 WeakPolarHBondContact O-CD 3.42Å; V294-P418 HydrophobicContact CG2-CG 3.78Å; A335-P418 HydrophobicContact CB-CB 4.07Å; A335-P418 HydrophobicContact CB-CG 4.4Å; V336-P418 CarbonylContact O-C 3.56Å; V336-P418 WeakPolarHBondContact O-CA 3.42Å; V336-P418 WeakPolarHBondContact O-CB 3.47Å; P418-F420 PolarHBondContact O-N 2.99Å; P418-T421 HydrophobicContact CB-CG2 4.01Å; P418-T421 HydrophobicContact CG-CG2 3.96Å | ||
| 419 | W | 92.8 | Very high | 93.9 | Very high | 10 Ų | 10 | 45.9 Ų | 45.9 | 4% | 0.038 | 23% | 0.232 | C | C | . | . | S | Bend | trans | -67 | -20.7 | 171.5 | -73.2 | 1.6 | 0 | 0 | 0 | 113.5 | V314 V321 V336 A338 T445 V447 A461 T463 S471 | V314-W419 HydrophobicContact CG1-CH2 3.74Å; V314-W419 HydrophobicContact CG1-CZ2 3.97Å; V314-W419 HydrophobicContact CG2-CH2 4.06Å; V321-W419 HydrophobicContact CG1-CE3 4.16Å; V321-W419 HydrophobicContact CG1-CZ3 4.06Å; V321-W419 HydrophobicContact CG2-CH2 4.02Å; V321-W419 HydrophobicContact CG2-CZ3 3.71Å; V336-W419 PolarHBondContact O-N 2.83Å; A338-W419 HydrophobicContact CB-CD2 3.97Å; A338-W419 VanDerWaalsContact CB-CE2 3.49Å; A338-W419 HydrophobicContact CB-CE3 4.18Å; A338-W419 HydrophobicContact CB-CH2 3.56Å; A338-W419 HydrophobicContact CB-CZ2 3.28Å; A338-W419 HydrophobicContact CB-CZ3 4Å; W419-T445 HydrophobicContact CZ3-CG2 4.32Å; W419-V447 HydrophobicContact CE3-CG2 4.36Å; W419-V447 HydrophobicContact CZ3-CG2 4.34Å; W419-A461 HydrophobicContact CD2-CB 4.18Å; W419-A461 HydrophobicContact CE3-CB 3.67Å; W419-A461 HydrophobicContact CH2-CB 4.5Å; W419-A461 HydrophobicContact CZ3-CB 3.85Å; W419-T463 HydrophobicContact CH2-CG2 4.31Å; W419-T463 HydrophobicContact CZ2-CG2 4.36Å; W419-S471 WeakPolarHBondContact O-CB 3.22Å; W419-S471 PolarHBondContact O-OG 2.84Å |
| 420 | F | 94.8 | Very high | 93.9 | Very high | 5 Ų | 5 | 43.4 Ų | 43.4 | 2% | 0.022 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.4 | 145.7 | 177.5 | -177 | -108.2 | 0 | 0 | 0 | 110.1 | I31 A335 V336 P418 K422 L429 L457 V459 L473 | I31-F420 HydrophobicContact CB-CE2 4.37Å; I31-F420 HydrophobicContact CD1-CD2 4.42Å; I31-F420 HydrophobicContact CD1-CE2 4.49Å; A335-F420 CarbonylContact C-O 3.51Å; A335-F420 WeakPolarHBondContact CA-O 3.38Å; V336-F420 HydrophobicContact CB-CB 4.13Å; V336-F420 HydrophobicContact CG2-CB 4.09Å; V336-F420 HydrophobicContact CG2-CD1 4.36Å; V336-F420 PolarHBondContact N-O 2.95Å; P418-F420 PolarHBondContact O-N 2.99Å; F420-K422 HydrophobicContact CE1-CB 4.02Å; F420-K422 HydrophobicContact CE1-CD 4.35Å; F420-K422 HydrophobicContact CZ-CB 4.47Å; F420-K422 HydrophobicContact CZ-CD 4.03Å; F420-L429 HydrophobicContact CD1-CD1 4.39Å; F420-L429 HydrophobicContact CE1-CD1 4.3Å; F420-L457 HydrophobicContact CE1-CD1 3.64Å; F420-L457 HydrophobicContact CZ-CD1 3.96Å; F420-V459 HydrophobicContact CB-CG1 4.34Å; F420-V459 HydrophobicContact CD1-CG2 4.27Å; F420-V459 HydrophobicContact CD2-CG1 4.11Å; F420-V459 HydrophobicContact CD2-CG2 3.92Å; F420-V459 HydrophobicContact CE1-CG2 4.4Å; F420-V459 HydrophobicContact CE2-CG2 4.07Å; F420-V459 HydrophobicContact CG-CG1 4.37Å; F420-V459 HydrophobicContact CG-CG2 4.03Å; F420-V459 HydrophobicContact CZ-CG2 4.3Å; F420-L473 HydrophobicContact CE2-CB 4.19Å; F420-L473 HydrophobicContact CE2-CD1 4.46Å; F420-L473 HydrophobicContact CZ-CD1 4.28Å; F420-L473 HydrophobicContact CZ-CD2 4.34Å |
| 421 | T | 95.1 | Very high | 93.9 | Very high | 11 Ų | 11 | 41.8 Ų | 41.8 | 7% | 0.067 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 142.4 | 174 | 49 | 0 | 0 | 0 | 0 | 111.2 | V294 F302 S334 A335 P418 | V294-T421 HydrophobicContact CG2-CG2 4.14Å; F302-T421 HydrophobicContact CE2-CG2 4.22Å; F302-T421 HydrophobicContact CZ-CG2 4.2Å; S334-T421 WeakPolarHBondContact O-CA 3.39Å; A335-T421 HydrophobicContact CB-CG2 4.18Å; P418-T421 HydrophobicContact CB-CG2 4.01Å; P418-T421 HydrophobicContact CG-CG2 3.96Å |
| 422 | K | 95 | Very high | 93.9 | Very high | 12 Ų | 12 | 42.4 Ų | 42.4 | 5% | 0.052 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 118.6 | 172.2 | -158.7 | 87.4 | 174.4 | -162.2 | 0 | 108.5 | D30 S334 F420 V425 L429 L457 E476 | D30-K422 HydrophobicContact CB-CD 4.43Å; D30-K422 WeakPolarHBondContact OD2-CA 3.12Å; D30-K422 WeakPolarHBondContact OD2-CD 3.39Å; D30-K422 WeakPolarHBondContact OD2-CG 3.5Å; S334-K422 PolarHBondContact N-O 3.48Å; S334-K422 PolarHBondContact O-N 2.84Å; F420-K422 HydrophobicContact CE1-CB 4.02Å; F420-K422 HydrophobicContact CE1-CD 4.35Å; F420-K422 HydrophobicContact CZ-CB 4.47Å; F420-K422 HydrophobicContact CZ-CD 4.03Å; K422-V425 HydrophobicContact CB-CG2 4.41Å; K422-V425 HydrophobicContact CD-CG1 4.44Å; K422-V425 HydrophobicContact CG-CB 4.48Å; K422-V425 HydrophobicContact CG-CG1 4.04Å; K422-V425 HydrophobicContact CG-CG2 3.58Å; K422-L429 HydrophobicContact CB-CD1 4.42Å; K422-L457 HydrophobicContact CD-CD1 4.44Å; K422-E476 IonicContact NZ-OE2 2.72Å; K422-E476 PolarHBondContact NZ-OE2 2.83Å |
| 423 | T | 93.6 | Very high | 93.9 | Very high | 31 Ų | 31 | 41.3 Ų | 41.3 | 19% | 0.19 | 20% | 0.201 | C | C | . | . | trans | -141.5 | -15.6 | -165.4 | 64.1 | 0 | 0 | 0 | 0 | 114.4 | F27 D30 F302 V425 | F27-T423 HydrophobicContact CE1-CG2 3.56Å; F27-T423 HydrophobicContact CZ-CG2 3.99Å; D30-T423 WeakPolarHBondContact OD1-CA 3.43Å; D30-T423 PolarHBondContact OD1-N 3.15Å; D30-T423 PolarHBondContact OD1-OG1 2.84Å; D30-T423 PolarHBondContact OD2-N 2.95Å; F302-T423 HydrophobicContact CZ-CG2 4.32Å; T423-V425 VanDerWaalsContact C-N 3.31Å | ||
| 424 | R | 89.9 | Confident | 93.9 | Very high | 158 Ų | 158 | 42.2 Ų | 42.2 | 60% | 0.596 | 21% | 0.206 | S | C | * | . | S | Bend | trans | -96 | 17.9 | 177.6 | -61.2 | -175 | 178.2 | -176 | -0.8 | 112.5 | E29 D30 | E29-R424 VanDerWaalsContact CD-NH1 3.25Å; E29-R424 IonicContact OE1-CZ 2.71Å; E29-R424 IonicContact OE1-NH1 3.97Å; E29-R424 PolarHBondContact OE1-NH1 2.77Å; E29-R424 IonicContact OE1-NH2 3.86Å; E29-R424 PolarHBondContact OE1-NH2 3.23Å; E29-R424 IonicContact OE2-NH1 3.15Å; D30-R424 HydrophobicContact CB-CB 4.27Å; D30-R424 HydrophobicContact CB-CG 4.38Å; D30-R424 VanDerWaalsContact CG-N 3.29Å; D30-R424 PolarHBondContact OD1-N 3.02Å; D30-R424 VanDerWaalsContact OD1-N 3.12Å; D30-R424 PolarHBondContact OD2-N 2.72Å |
| 425 | V | 90.6 | Very high | 94 | Very high | 32 Ų | 32 | 40.1 Ų | 40.1 | 19% | 0.194 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -118.5 | 153.1 | -179.2 | -63.2 | 0 | 0 | 0 | 0 | 111.2 | K422 T423 Y427 | K422-V425 HydrophobicContact CB-CG2 4.41Å; K422-V425 HydrophobicContact CD-CG1 4.44Å; K422-V425 HydrophobicContact CG-CB 4.48Å; K422-V425 HydrophobicContact CG-CG1 4.04Å; K422-V425 HydrophobicContact CG-CG2 3.58Å; T423-V425 VanDerWaalsContact C-N 3.31Å; V425-Y427 HydrophobicContact CB-CD1 4.13Å; V425-Y427 HydrophobicContact CB-CD2 4.46Å; V425-Y427 HydrophobicContact CB-CE1 4.03Å; V425-Y427 HydrophobicContact CB-CE2 4.34Å; V425-Y427 HydrophobicContact CB-CG 4.36Å; V425-Y427 HydrophobicContact CG1-CE1 4.05Å; V425-Y427 HydrophobicContact CG2-CD1 4.5Å; V425-Y427 HydrophobicContact CG2-CD2 3.96Å; V425-Y427 HydrophobicContact CG2-CE1 4.45Å; V425-Y427 HydrophobicContact CG2-CE2 3.89Å; V425-Y427 HydrophobicContact CG2-CG 4.26Å; V425-Y427 WeakPolarHBondContact CG2-O 3.45Å |
| 426 | R | 90.9 | Very high | 94.2 | Very high | 239 Ų | 239 | 38.9 Ų | 38.9 | 90% | 0.902 | 18% | 0.182 | S | C | * | . | S | Bend | trans | -79.7 | -20.9 | 176.3 | -64.7 | -174.1 | -179 | -172.8 | 0.6 | 113.6 | ||
| 427 | Y | 93.4 | Very high | 94.1 | Very high | 31 Ų | 31 | 38.9 Ų | 38.9 | 12% | 0.122 | 18% | 0.179 | C | C | . | . | S | Bend | trans | -88.4 | 144.1 | -177.3 | 62 | -111.4 | 0 | 0 | 0 | 111.8 | V425 L429 A451 S453 E476 | V425-Y427 HydrophobicContact CB-CD1 4.13Å; V425-Y427 HydrophobicContact CB-CD2 4.46Å; V425-Y427 HydrophobicContact CB-CE1 4.03Å; V425-Y427 HydrophobicContact CB-CE2 4.34Å; V425-Y427 HydrophobicContact CB-CG 4.36Å; V425-Y427 HydrophobicContact CG1-CE1 4.05Å; V425-Y427 HydrophobicContact CG2-CD1 4.5Å; V425-Y427 HydrophobicContact CG2-CD2 3.96Å; V425-Y427 HydrophobicContact CG2-CE1 4.45Å; V425-Y427 HydrophobicContact CG2-CE2 3.89Å; V425-Y427 HydrophobicContact CG2-CG 4.26Å; V425-Y427 WeakPolarHBondContact CG2-O 3.45Å; Y427-L429 HydrophobicContact CD2-CD2 4.44Å; Y427-L429 HydrophobicContact CE2-CD2 4.09Å; Y427-A451 HydrophobicContact CD2-CB 3.6Å; Y427-A451 HydrophobicContact CE2-CB 3.86Å; Y427-A451 HydrophobicContact CG-CB 4.26Å; Y427-S453 WeakPolarHBondContact CD1-OG 3.02Å; Y427-E476 PolarHBondContact OH-OE1 2.85Å |
| 428 | R | 96.6 | Very high | 94.2 | Very high | 19 Ų | 19 | 35.7 Ų | 35.7 | 7% | 0.072 | 16% | 0.164 | C | C | . | . | P | Polyproline II helix | trans | -90.7 | 151.5 | 166.1 | -69.2 | 178.9 | 174.6 | 85.7 | -5.3 | 111.8 | T325 Q327 M328 S330 P332 S334 A451 E452 | T325-R428 HydrophobicContact CG2-CB 3.9Å; T325-R428 HydrophobicContact CG2-CG 4.11Å; Q327-R428 PolarHBondContact O-NH2 3.19Å; M328-R428 PolarHBondContact O-NH2 2.95Å; M328-R428 VanDerWaalsContact O-NH2 3.08Å; S330-R428 PolarHBondContact O-NH2 2.76Å; P332-R428 HydrophobicContact CB-CG 4.5Å; S334-R428 WeakPolarHBondContact OG-CA 3.05Å; R428-A451 WeakPolarHBondContact O-CA 3Å; R428-E452 WeakPolarHBondContact CB-OE1 3.25Å; R428-E452 PolarHBondContact N-OE1 3.17Å; R428-E452 PolarHBondContact O-N 2.77Å |
| 429 | L | 98.1 | Very high | 94 | Very high | 1 Ų | 1 | 35.1 Ų | 35.1 | 1% | 0.005 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 142.9 | 170 | -56.8 | 176.9 | 0 | 0 | 0 | 109.5 | V323 S334 F420 K422 Y427 V449 G450 A451 L457 | V323-L429 HydrophobicContact CG1-CB 3.58Å; S334-L429 VanDerWaalsContact CB-CG 3.46Å; S334-L429 PolarHBondContact OG-N 2.9Å; F420-L429 HydrophobicContact CD1-CD1 4.39Å; F420-L429 HydrophobicContact CE1-CD1 4.3Å; K422-L429 HydrophobicContact CB-CD1 4.42Å; Y427-L429 HydrophobicContact CD2-CD2 4.44Å; Y427-L429 HydrophobicContact CE2-CD2 4.09Å; L429-V449 HydrophobicContact CB-CG1 3.81Å; L429-V449 HydrophobicContact CD1-CG1 3.92Å; L429-V449 HydrophobicContact CD2-CG1 4.1Å; L429-V449 HydrophobicContact CG-CG1 4.14Å; L429-G450 CarbonylContact C-O 3.57Å; L429-G450 WeakPolarHBondContact CA-O 3.36Å; L429-A451 HydrophobicContact CD2-CB 4.09Å; L429-L457 HydrophobicContact CD1-CD1 4.47Å; L429-L457 HydrophobicContact CD2-CD1 3.82Å; L429-L457 HydrophobicContact CD2-CG 4.47Å |
| 430 | T | 97.2 | Very high | 93.8 | Very high | 9 Ų | 9 | 34.8 Ų | 34.8 | 6% | 0.055 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | -35.9 | -162.8 | 59.4 | 0 | 0 | 0 | 0 | 115.2 | S307 G450 E452 R494 V495 | S307-T430 WeakPolarHBondContact CB-O 3.45Å; T430-G450 PolarHBondContact N-O 3.03Å; T430-G450 PolarHBondContact OG1-O 3.2Å; T430-E452 HydrophobicContact CG2-CB 3.84Å; T430-R494 HydrophobicContact CG2-CG 4.21Å; T430-V495 PolarHBondContact OG1-O 2.9Å |
| 431 | A | 97.6 | Very high | 93.5 | Very high | 2 Ų | 2 | 39.8 Ų | 39.8 | 2% | 0.017 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 153.6 | -171.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | V449 G450 V495 L498 | A431-V449 CarbonylContact O-C 3.57Å; A431-V449 WeakPolarHBondContact O-CA 2.99Å; A431-G450 PolarHBondContact N-O 2.03Å; A431-G450 PolarHBondContact O-N 3.24Å; A431-V495 HydrophobicContact CB-CG1 3.89Å; A431-L498 HydrophobicContact CB-CG 4.09Å |
| 432 | L | 97.8 | Very high | 93.2 | Very high | 13 Ų | 13 | 44.5 Ų | 44.5 | 7% | 0.068 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 141.7 | -171.6 | -176 | 62.2 | 0 | 0 | 0 | 111.5 | S307 T309 V321 V323 V434 V447 V449 | S307-L432 PolarHBondContact OG-N 2.87Å; T309-L432 HydrophobicContact CG2-CD2 3.8Å; T309-L432 HydrophobicContact CG2-CG 4.11Å; V321-L432 VanDerWaalsContact C-CD2 3.47Å; V321-L432 HydrophobicContact CB-CD2 4.13Å; V321-L432 HydrophobicContact CG1-CD2 4.02Å; V321-L432 WeakPolarHBondContact O-CD2 3.39Å; V323-L432 HydrophobicContact CG2-CB 3.84Å; V323-L432 HydrophobicContact CG2-CD1 3.92Å; V323-L432 HydrophobicContact CG2-CD2 4.19Å; V323-L432 HydrophobicContact CG2-CG 4.21Å; L432-V434 HydrophobicContact CD1-CG2 4.22Å; L432-V434 HydrophobicContact CG-CG2 4.33Å; L432-V447 HydrophobicContact CD1-CG1 3.46Å; L432-V447 VanDerWaalsContact CD1-CG1 3.46Å; L432-V449 HydrophobicContact CD1-CG2 4.21Å |
| 433 | A | 97.3 | Very high | 92.8 | Very high | 10 Ų | 10 | 47.1 Ų | 47.1 | 8% | 0.083 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 153.5 | 159 | 0 | 0 | 0 | 0 | 0 | 109.7 | F448 L498 V500 L507 | A433-F448 PolarHBondContact N-O 3.12Å; A433-F448 PolarHBondContact O-N 3.46Å; A433-L498 HydrophobicContact CB-CB 3.72Å; A433-V500 HydrophobicContact CB-CB 4.44Å; A433-V500 HydrophobicContact CB-CG2 3.68Å; A433-L507 HydrophobicContact CB-CD1 4.36Å |
| 434 | V | 96.3 | Very high | 92.6 | Very high | 23 Ų | 23 | 47.4 Ų | 47.4 | 14% | 0.139 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 135.2 | -173.5 | -176.1 | 0 | 0 | 0 | 0 | 110 | T309 I312 V321 L432 T445 V446 V447 | T309-V434 HydrophobicContact CG2-CB 4.42Å; T309-V434 HydrophobicContact CG2-CG2 3.76Å; I312-V434 HydrophobicContact CD1-CB 3.88Å; I312-V434 HydrophobicContact CD1-CG1 3.66Å; I312-V434 HydrophobicContact CD1-CG2 4.34Å; V321-V434 HydrophobicContact CB-CG2 4.29Å; V321-V434 HydrophobicContact CG1-CG2 4.46Å; V321-V434 HydrophobicContact CG2-CG2 4.46Å; L432-V434 HydrophobicContact CD1-CG2 4.22Å; L432-V434 HydrophobicContact CG-CG2 4.33Å; V434-T445 HydrophobicContact CG1-CG2 3.57Å; V434-V446 WeakPolarHBondContact CA-O 3.34Å; V434-V447 HydrophobicContact CG1-CG2 4.22Å; V434-V447 HydrophobicContact CG2-CG1 4.24Å; V434-V447 HydrophobicContact CG2-CG2 4.17Å |
| 435 | D | 94 | Very high | 92.8 | Very high | 11 Ų | 11 | 40 Ų | 40 | 6% | 0.059 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 109 | 159.1 | -176.7 | 13.5 | 0 | 0 | 0 | 108.8 | Q437 A438 T445 V446 V500 N502 Y540 | D435-Q437 VanDerWaalsContact C-N 3.32Å; D435-Q437 PolarHBondContact OD1-N 3.43Å; D435-A438 HydrophobicContact CB-CB 4.45Å; D435-A438 WeakPolarHBondContact OD2-CA 3.26Å; D435-T445 CarbonylContact O-C 3.59Å; D435-T445 WeakPolarHBondContact O-CA 3.25Å; D435-V446 PolarHBondContact N-O 3.05Å; D435-V446 PolarHBondContact O-N 2.8Å; D435-V500 HydrophobicContact CB-CG1 4.49Å; D435-N502 PolarHBondContact OD1-ND2 2.8Å; D435-N502 PolarHBondContact OD2-ND2 2.97Å; D435-Y540 WeakPolarHBondContact CB-OH 3.47Å; D435-Y540 PolarHBondContact OD2-OH 3.09Å |
| 436 | G | 90.8 | Very high | 93 | Very high | 20 Ų | 20 | 38.4 Ų | 38.4 | 21% | 0.206 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | -6.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | Y444 | G436-Y444 CarbonylContact C-O 3.56Å |
| 437 | Q | 90.1 | Very high | 93.3 | Very high | 94 Ų | 94 | 27.2 Ų | 27.2 | 44% | 0.439 | 14% | 0.137 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 38 | -176.7 | -69.3 | -173.1 | 18 | 0 | 0 | 111.7 | D435 K442 | D435-Q437 VanDerWaalsContact C-N 3.32Å; D435-Q437 PolarHBondContact OD1-N 3.43Å; Q437-K442 HydrophobicContact CB-CB 3.97Å; Q437-K442 HydrophobicContact CB-CD 4.35Å; Q437-K442 HydrophobicContact CB-CG 4.21Å; Q437-K442 HydrophobicContact CG-CB 4.42Å |
| 438 | A | 91.4 | Very high | 93.6 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 152.3 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | D435 K442 N443 Y444 V446 P539 Y540 | D435-A438 HydrophobicContact CB-CB 4.45Å; D435-A438 WeakPolarHBondContact OD2-CA 3.26Å; A438-K442 WeakPolarHBondContact O-CA 3.16Å; A438-N443 PolarHBondContact O-N 2.98Å; A438-Y444 WeakPolarHBondContact CB-O 3.11Å; A438-Y444 PolarHBondContact N-O 2.8Å; A438-Y444 PolarHBondContact O-N 2.77Å; A438-V446 HydrophobicContact CB-CB 4.21Å; A438-V446 HydrophobicContact CB-CG2 3.63Å; A438-P539 HydrophobicContact CB-CB 4.23Å; A438-Y540 HydrophobicContact CB-CE1 3.83Å |
| 439 | G | 90 | Very high | 93.6 | Very high | 7 Ų | 7 | 24.9 Ų | 24.9 | 7% | 0.072 | 13% | 0.128 | C | C | . | . | S | Bend | trans | 76.6 | -178.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 116 | H441 K442 P539 | G439-H441 PolarHBondContact O-N 3.48Å; G439-K442 PolarHBondContact O-N 2.85Å; G439-P539 WeakPolarHBondContact CA-O 3.34Å |
| 440 | P | 89.6 | Confident | 93.7 | Very high | 2 Ų | 2 | 24.9 Ų | 24.9 | 1% | 0.013 | 13% | 0.128 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | -35.6 | -164.6 | -16.2 | 30.7 | 0 | 0 | 0 | 112.7 | I552 G555 V556 Y560 | P440-I552 HydrophobicContact CB-CG2 3.93Å; P440-I552 HydrophobicContact CG-CB 4.02Å; P440-I552 HydrophobicContact CG-CD1 3.55Å; P440-I552 HydrophobicContact CG-CG1 4.4Å; P440-I552 HydrophobicContact CG-CG2 3.67Å; P440-G555 PolarHBondContact O-N 3.06Å; P440-V556 VanDerWaalsContact CB-O 3.32Å; P440-V556 WeakPolarHBondContact CB-O 3.41Å; P440-Y560 HydrophobicContact CB-CE1 4.41Å; P440-Y560 WeakPolarHBondContact CB-OH 3.19Å; P440-Y560 HydrophobicContact CG-CE1 4.5Å; P440-Y560 HydrophobicContact CG-CE2 4.07Å |
| 441 | H | 88 | Confident | 93.7 | Very high | 111 Ų | 111 | 24.4 Ų | 24.4 | 51% | 0.514 | 13% | 0.125 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.9 | 0.8 | 178.1 | -55.2 | -89.4 | 0 | 0 | 0 | 113.4 | G439 N443 Y560 | G439-H441 PolarHBondContact O-N 3.48Å; H441-N443 HydrophobicContact CB-CB 4.45Å; H441-N443 WeakPolarHBondContact CB-OD1 3.23Å; H441-N443 PolarHBondContact O-N 2.7Å; H441-Y560 PolarHBondContact NE2-OH 2.03Å |
| 442 | K | 88.7 | Confident | 93.6 | Very high | 109 Ų | 109 | 26.8 Ų | 26.8 | 47% | 0.474 | 14% | 0.136 | S | C | . | . | S | Bend | trans | 56.4 | 31.4 | -178.2 | -61.5 | -177.4 | 149.7 | -148.7 | 0 | 114.8 | Q437 A438 G439 | Q437-K442 HydrophobicContact CB-CB 3.97Å; Q437-K442 HydrophobicContact CB-CD 4.35Å; Q437-K442 HydrophobicContact CB-CG 4.21Å; Q437-K442 HydrophobicContact CG-CB 4.42Å; A438-K442 WeakPolarHBondContact O-CA 3.16Å; G439-K442 PolarHBondContact O-N 2.85Å |
| 443 | N | 87 | Confident | 93.4 | Very high | 67 Ų | 67 | 28 Ų | 28 | 36% | 0.358 | 15% | 0.145 | S | C | . | . | trans | -108.2 | -0.8 | -171.7 | 68.2 | -53 | 0 | 0 | 0 | 114 | A438 H441 | A438-N443 PolarHBondContact O-N 2.98Å; H441-N443 HydrophobicContact CB-CB 4.45Å; H441-N443 WeakPolarHBondContact CB-OD1 3.23Å; H441-N443 PolarHBondContact O-N 2.7Å | ||
| 444 | Y | 90.3 | Very high | 93.3 | Very high | 38 Ų | 38 | 27.6 Ų | 27.6 | 15% | 0.149 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 144.6 | 179.6 | -62.3 | -68.8 | 0 | 0 | 0 | 111.2 | G436 A438 L460 P539 V564 | G436-Y444 CarbonylContact C-O 3.56Å; A438-Y444 WeakPolarHBondContact CB-O 3.11Å; A438-Y444 PolarHBondContact N-O 2.8Å; A438-Y444 PolarHBondContact O-N 2.77Å; Y444-L460 HydrophobicContact CD1-CD1 4.14Å; Y444-L460 HydrophobicContact CG-CD1 4.36Å; Y444-P539 HydrophobicContact CD2-CB 3.87Å; Y444-P539 HydrophobicContact CD2-CG 4.18Å; Y444-P539 HydrophobicContact CG-CB 4.14Å; Y444-P539 HydrophobicContact CG-CG 4.02Å; Y444-V564 HydrophobicContact CD1-CG1 3.92Å; Y444-V564 HydrophobicContact CE1-CB 4.03Å; Y444-V564 HydrophobicContact CE1-CG1 3.54Å; Y444-V564 HydrophobicContact CE2-CB 4.16Å; Y444-V564 HydrophobicContact CE2-CG1 4.22Å; Y444-V564 HydrophobicContact CE2-CG2 3.96Å; Y444-V564 HydrophobicContact CG-CG1 4.43Å |
| 445 | T | 92.8 | Very high | 93.3 | Very high | 1 Ų | 1 | 27.2 Ų | 27.2 | 1% | 0.006 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 115.6 | 171.4 | -61.6 | 0 | 0 | 0 | 0 | 109.3 | W419 V434 D435 V447 A461 T463 | W419-T445 HydrophobicContact CZ3-CG2 4.32Å; V434-T445 HydrophobicContact CG1-CG2 3.57Å; D435-T445 CarbonylContact O-C 3.59Å; D435-T445 WeakPolarHBondContact O-CA 3.25Å; T445-V447 HydrophobicContact CG2-CG2 4.34Å; T445-A461 HydrophobicContact CG2-CB 4.13Å; T445-A461 PolarHBondContact O-N 2.6Å; T445-T463 HydrophobicContact CG2-CG2 4.42Å |
| 446 | V | 95.4 | Very high | 93.5 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 125 | 177.6 | 177.8 | 0 | 0 | 0 | 0 | 109.4 | V434 D435 A438 F448 K458 V459 L460 P539 Y540 | V434-V446 WeakPolarHBondContact CA-O 3.34Å; D435-V446 PolarHBondContact N-O 3.05Å; D435-V446 PolarHBondContact O-N 2.8Å; A438-V446 HydrophobicContact CB-CB 4.21Å; A438-V446 HydrophobicContact CB-CG2 3.63Å; V446-F448 HydrophobicContact CG1-CD2 4.39Å; V446-F448 HydrophobicContact CG1-CE1 4.44Å; V446-F448 HydrophobicContact CG1-CE2 3.78Å; V446-F448 HydrophobicContact CG1-CZ 3.81Å; V446-K458 HydrophobicContact CG1-CG 3.83Å; V446-V459 WeakPolarHBondContact CA-O 3.34Å; V446-L460 HydrophobicContact CG2-CD1 4.19Å; V446-P539 HydrophobicContact CG2-CB 4.42Å; V446-P539 HydrophobicContact CG2-CG 3.82Å; V446-Y540 HydrophobicContact CB-CE2 4.4Å; V446-Y540 HydrophobicContact CG1-CE2 4.24Å; V446-Y540 HydrophobicContact CG2-CE2 4.17Å |
| 447 | V | 97.3 | Very high | 93.9 | Very high | 3 Ų | 3 | 25.8 Ų | 25.8 | 2% | 0.018 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 125.2 | -176.4 | -178.4 | 0 | 0 | 0 | 0 | 109.3 | V336 W419 L432 V434 T445 V449 V459 A461 | V336-V447 HydrophobicContact CG1-CG1 4.43Å; W419-V447 HydrophobicContact CE3-CG2 4.36Å; W419-V447 HydrophobicContact CZ3-CG2 4.34Å; L432-V447 HydrophobicContact CD1-CG1 3.46Å; L432-V447 VanDerWaalsContact CD1-CG1 3.46Å; V434-V447 HydrophobicContact CG1-CG2 4.22Å; V434-V447 HydrophobicContact CG2-CG1 4.24Å; V434-V447 HydrophobicContact CG2-CG2 4.17Å; T445-V447 HydrophobicContact CG2-CG2 4.34Å; V447-V449 HydrophobicContact CG1-CG2 3.72Å; V447-V459 HydrophobicContact CB-CB 4.43Å; V447-V459 PolarHBondContact N-O 3.13Å; V447-V459 PolarHBondContact O-N 2.81Å; V447-A461 HydrophobicContact CG2-CB 4.05Å |
| 448 | F | 98.4 | Very high | 94.3 | Very high | 2 Ų | 2 | 21.3 Ų | 21.3 | 1% | 0.009 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 123.8 | 173.4 | -61.2 | -87.8 | 0 | 0 | 0 | 109.1 | A433 V446 L457 K458 L498 V500 L507 L520 Y540 | A433-F448 PolarHBondContact N-O 3.12Å; A433-F448 PolarHBondContact O-N 3.46Å; V446-F448 HydrophobicContact CG1-CD2 4.39Å; V446-F448 HydrophobicContact CG1-CE1 4.44Å; V446-F448 HydrophobicContact CG1-CE2 3.78Å; V446-F448 HydrophobicContact CG1-CZ 3.81Å; F448-L457 CarbonylContact C-O 3.54Å; F448-L457 WeakPolarHBondContact CA-O 3.42Å; F448-K458 HydrophobicContact CD1-CB 4.21Å; F448-K458 HydrophobicContact CD1-CG 4.16Å; F448-K458 HydrophobicContact CE1-CB 4.21Å; F448-K458 HydrophobicContact CE1-CD 3.93Å; F448-K458 HydrophobicContact CE1-CG 3.76Å; F448-K458 HydrophobicContact CZ-CD 4.49Å; F448-K458 HydrophobicContact CZ-CG 4.36Å; F448-L498 HydrophobicContact CB-CD1 4.15Å; F448-L498 VanDerWaalsContact O-CD1 3.3Å; F448-L498 WeakPolarHBondContact O-CD1 3.46Å; F448-V500 HydrophobicContact CD2-CG2 3.72Å; F448-V500 HydrophobicContact CE2-CG2 4.04Å; F448-L507 HydrophobicContact CB-CD1 4.26Å; F448-L507 HydrophobicContact CB-CD2 4.12Å; F448-L507 HydrophobicContact CD1-CD2 3.89Å; F448-L507 HydrophobicContact CG-CD1 4.31Å; F448-L507 HydrophobicContact CG-CD2 4.11Å; F448-L520 HydrophobicContact CE1-CD2 4.36Å; F448-L520 HydrophobicContact CE2-CD2 3.73Å; F448-L520 HydrophobicContact CZ-CB 4.16Å; F448-L520 HydrophobicContact CZ-CD2 3.6Å; F448-L520 HydrophobicContact CZ-CG 4.45Å; F448-Y540 HydrophobicContact CZ-CE2 4.37Å |
| 449 | V | 98.5 | Very high | 94.5 | Very high | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 119.7 | -175.6 | -163.5 | 0 | 0 | 0 | 0 | 110.7 | V323 V336 L429 A431 L432 V447 V456 L457 | V323-V449 HydrophobicContact CG1-CG1 4.45Å; V323-V449 HydrophobicContact CG2-CG1 3.69Å; V336-V449 HydrophobicContact CG2-CG2 3.98Å; L429-V449 HydrophobicContact CB-CG1 3.81Å; L429-V449 HydrophobicContact CD1-CG1 3.92Å; L429-V449 HydrophobicContact CD2-CG1 4.1Å; L429-V449 HydrophobicContact CG-CG1 4.14Å; A431-V449 CarbonylContact O-C 3.57Å; A431-V449 WeakPolarHBondContact O-CA 2.99Å; L432-V449 HydrophobicContact CD1-CG2 4.21Å; V447-V449 HydrophobicContact CG1-CG2 3.72Å; V449-V456 CarbonylContact O-C 3.46Å; V449-V456 WeakPolarHBondContact O-CA 3.36Å; V449-L457 HydrophobicContact CB-CB 4.43Å; V449-L457 PolarHBondContact N-O 2.8Å; V449-L457 PolarHBondContact O-N 2.85Å |
| 450 | G | 98.3 | Very high | 94.7 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 150.5 | 176 | 0 | 0 | 0 | 0 | 0 | 112.1 | L429 T430 A431 | L429-G450 CarbonylContact C-O 3.57Å; L429-G450 WeakPolarHBondContact CA-O 3.36Å; T430-G450 PolarHBondContact N-O 3.03Å; T430-G450 PolarHBondContact OG1-O 3.2Å; A431-G450 PolarHBondContact N-O 2.03Å; A431-G450 PolarHBondContact O-N 3.24Å |
| 451 | A | 97.4 | Very high | 94.7 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 162.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y427 R428 L429 S453 G454 V455 V495 | Y427-A451 HydrophobicContact CD2-CB 3.6Å; Y427-A451 HydrophobicContact CE2-CB 3.86Å; Y427-A451 HydrophobicContact CG-CB 4.26Å; R428-A451 WeakPolarHBondContact O-CA 3Å; L429-A451 HydrophobicContact CD2-CB 4.09Å; A451-S453 WeakPolarHBondContact CB-OG 3.41Å; A451-S453 PolarHBondContact O-N 3.25Å; A451-G454 PolarHBondContact O-N 2.8Å; A451-V455 HydrophobicContact CB-CB 4.29Å; A451-V455 PolarHBondContact N-O 3.41Å; A451-V495 WeakPolarHBondContact O-CG2 3.27Å; A451-V495 PolarHBondContact O-N 3.27Å; A451-V495 VanDerWaalsContact O-N 3.16Å |
| 452 | E | 96 | Very high | 94.2 | Very high | 52 Ų | 52 | 20 Ų | 20 | 24% | 0.243 | 10% | 0.1 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | -13.7 | 174 | 67.4 | -163 | 171.8 | 0 | 0 | 114.2 | R428 T430 G454 R494 | R428-E452 WeakPolarHBondContact CB-OE1 3.25Å; R428-E452 PolarHBondContact N-OE1 3.17Å; R428-E452 PolarHBondContact O-N 2.77Å; T430-E452 HydrophobicContact CG2-CB 3.84Å; E452-G454 VanDerWaalsContact C-N 3.35Å; E452-R494 HydrophobicContact CB-CB 4.39Å; E452-R494 HydrophobicContact CB-CG 4.02Å; E452-R494 IonicContact OE2-NH1 2.97Å; E452-R494 PolarHBondContact OE2-NH1 3.31Å |
| 453 | S | 94.4 | Very high | 93.2 | Very high | 39 Ų | 39 | 16.5 Ų | 16.5 | 27% | 0.273 | 9% | 0.087 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.9 | -14.2 | 173.4 | 51.1 | 0 | 0 | 0 | 0 | 114.8 | Y427 A451 | Y427-S453 WeakPolarHBondContact CD1-OG 3.02Å; A451-S453 WeakPolarHBondContact CB-OG 3.41Å; A451-S453 PolarHBondContact O-N 3.25Å |
| 454 | G | 95.3 | Very high | 92.1 | Very high | 0 Ų | 0 | 15.7 Ų | 15.7 | 0% | 0 | 9% | 0.087 | C | C | . | . | S | Bend | trans | 92.2 | 0.9 | -170.3 | 0 | 0 | 0 | 0 | 0 | 115 | A451 E452 V479 K493 | A451-G454 PolarHBondContact O-N 2.8Å; E452-G454 VanDerWaalsContact C-N 3.35Å; G454-V479 PolarHBondContact O-N 2.91Å; G454-K493 WeakPolarHBondContact CA-O 3.27Å; G454-K493 PolarHBondContact N-O 2.79Å |
| 455 | V | 96.3 | Very high | 90.3 | Very high | 16 Ų | 16 | 21.7 Ų | 21.7 | 10% | 0.097 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 146.5 | 172.8 | 175 | 0 | 0 | 0 | 0 | 110.9 | A451 L457 E476 I477 | A451-V455 HydrophobicContact CB-CB 4.29Å; A451-V455 PolarHBondContact N-O 3.41Å; V455-L457 HydrophobicContact CG1-CD2 3.83Å; V455-E476 HydrophobicContact CG1-CG 3.68Å; V455-I477 CarbonylContact C-O 3.47Å; V455-I477 VanDerWaalsContact CA-O 3.29Å; V455-I477 WeakPolarHBondContact CA-O 3.5Å |
| 456 | V | 98.3 | Very high | 88.1 | Confident | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 127.1 | 165.1 | 177.6 | 0 | 0 | 0 | 0 | 109 | V449 I477 V479 V495 L498 L507 V509 | V449-V456 CarbonylContact O-C 3.46Å; V449-V456 WeakPolarHBondContact O-CA 3.36Å; V456-I477 PolarHBondContact N-O 2.79Å; V456-I477 WeakPolarHBondContact O-CB 3.25Å; V456-I477 PolarHBondContact O-N 2.71Å; V456-V479 HydrophobicContact CB-CG2 4.05Å; V456-V479 HydrophobicContact CG2-CB 4.49Å; V456-V479 HydrophobicContact CG2-CG2 3.78Å; V456-V495 HydrophobicContact CG2-CG2 4.38Å; V456-L498 HydrophobicContact CG2-CD2 4.33Å; V456-L507 HydrophobicContact CG1-CD2 4.02Å; V456-V509 HydrophobicContact CG2-CG1 3.96Å; V456-V509 HydrophobicContact CG2-CG2 4.21Å |
| 457 | L | 98.3 | Very high | 86 | Confident | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 140.4 | 172.9 | -55 | -176.2 | 0 | 0 | 0 | 109.6 | F420 K422 L429 F448 V449 V455 L473 E476 | F420-L457 HydrophobicContact CE1-CD1 3.64Å; F420-L457 HydrophobicContact CZ-CD1 3.96Å; K422-L457 HydrophobicContact CD-CD1 4.44Å; L429-L457 HydrophobicContact CD1-CD1 4.47Å; L429-L457 HydrophobicContact CD2-CD1 3.82Å; L429-L457 HydrophobicContact CD2-CG 4.47Å; F448-L457 CarbonylContact C-O 3.54Å; F448-L457 WeakPolarHBondContact CA-O 3.42Å; V449-L457 HydrophobicContact CB-CB 4.43Å; V449-L457 PolarHBondContact N-O 2.8Å; V449-L457 PolarHBondContact O-N 2.85Å; V455-L457 HydrophobicContact CG1-CD2 3.83Å; L457-L473 HydrophobicContact CB-CD1 3.84Å; L457-L473 HydrophobicContact CD2-CD1 4.18Å; L457-L473 HydrophobicContact CG-CD1 4.4Å; L457-E476 HydrophobicContact CD2-CB 3.92Å; L457-E476 HydrophobicContact CD2-CG 3.53Å |
| 458 | K | 98.1 | Very high | 83.6 | Confident | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 114.2 | 172.5 | 178.4 | -174.1 | 171.3 | 174.8 | 0 | 109 | V446 F448 L474 E475 L520 D538 | V446-K458 HydrophobicContact CG1-CG 3.83Å; F448-K458 HydrophobicContact CD1-CB 4.21Å; F448-K458 HydrophobicContact CD1-CG 4.16Å; F448-K458 HydrophobicContact CE1-CB 4.21Å; F448-K458 HydrophobicContact CE1-CD 3.93Å; F448-K458 HydrophobicContact CE1-CG 3.76Å; F448-K458 HydrophobicContact CZ-CD 4.49Å; F448-K458 HydrophobicContact CZ-CG 4.36Å; K458-L474 HydrophobicContact CD-CB 4.31Å; K458-L474 HydrophobicContact CD-CD1 4.39Å; K458-L474 HydrophobicContact CG-CB 4.29Å; K458-L474 HydrophobicContact CG-CD1 4.34Å; K458-L474 PolarHBondContact O-N 2.87Å; K458-E475 HydrophobicContact CB-CB 4.07Å; K458-E475 HydrophobicContact CD-CB 4.37Å; K458-E475 HydrophobicContact CD-CG 4.02Å; K458-E475 WeakPolarHBondContact CD-OE1 3.47Å; K458-E475 WeakPolarHBondContact CE-OE1 3.41Å; K458-E475 PolarHBondContact N-O 3.26Å; K458-E475 IonicContact NZ-OE1 2.67Å; K458-E475 PolarHBondContact NZ-OE1 3.38Å; K458-E475 PolarHBondContact O-N 3.29Å; K458-L520 PolarHBondContact NZ-O 2.89Å; K458-D538 WeakPolarHBondContact CE-OD1 3.39Å; K458-D538 IonicContact NZ-OD1 3.42Å; K458-D538 PolarHBondContact NZ-OD1 3.18Å; K458-D538 IonicContact NZ-OD2 2.71Å; K458-D538 PolarHBondContact NZ-OD2 2.68Å |
| 459 | V | 96.9 | Very high | 81.7 | Confident | 3 Ų | 3 | 40.9 Ų | 40.9 | 2% | 0.018 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 132.1 | -174 | -179.2 | 0 | 0 | 0 | 0 | 110 | F420 V446 V447 L472 L473 | F420-V459 HydrophobicContact CB-CG1 4.34Å; F420-V459 HydrophobicContact CD1-CG2 4.27Å; F420-V459 HydrophobicContact CD2-CG1 4.11Å; F420-V459 HydrophobicContact CD2-CG2 3.92Å; F420-V459 HydrophobicContact CE1-CG2 4.4Å; F420-V459 HydrophobicContact CE2-CG2 4.07Å; F420-V459 HydrophobicContact CG-CG1 4.37Å; F420-V459 HydrophobicContact CG-CG2 4.03Å; F420-V459 HydrophobicContact CZ-CG2 4.3Å; V446-V459 WeakPolarHBondContact CA-O 3.34Å; V447-V459 HydrophobicContact CB-CB 4.43Å; V447-V459 PolarHBondContact N-O 3.13Å; V447-V459 PolarHBondContact O-N 2.81Å; V459-L472 CarbonylContact C-O 3.52Å; V459-L472 VanDerWaalsContact CA-O 3.27Å; V459-L472 WeakPolarHBondContact CA-O 3.21Å; V459-L473 HydrophobicContact CG2-CD1 3.89Å |
| 460 | L | 94.3 | Very high | 80.6 | Confident | 16 Ų | 16 | 47.9 Ų | 47.9 | 8% | 0.084 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 117.6 | 163.8 | -175.5 | 64.6 | 0 | 0 | 0 | 108.4 | Y444 V446 S471 L472 L474 P539 V564 | Y444-L460 HydrophobicContact CD1-CD1 4.14Å; Y444-L460 HydrophobicContact CG-CD1 4.36Å; V446-L460 HydrophobicContact CG2-CD1 4.19Å; L460-S471 WeakPolarHBondContact O-CA 3.36Å; L460-S471 WeakPolarHBondContact O-CB 3.45Å; L460-L472 HydrophobicContact CB-CB 4.27Å; L460-L472 HydrophobicContact CD2-CD1 4.26Å; L460-L472 PolarHBondContact N-O 3.15Å; L460-L472 PolarHBondContact O-N 2.95Å; L460-L472 VanDerWaalsContact O-N 3.08Å; L460-L474 HydrophobicContact CB-CD1 4.1Å; L460-L474 HydrophobicContact CB-CD2 4.22Å; L460-L474 HydrophobicContact CB-CG 4.1Å; L460-P539 HydrophobicContact CD1-CG 3.73Å; L460-V564 HydrophobicContact CD2-CG1 3.52Å |
| 461 | A | 89.8 | Confident | 80.1 | Confident | 10 Ų | 10 | 48.5 Ų | 48.5 | 8% | 0.083 | 26% | 0.261 | C | S | . | . | trans | -79.1 | 140.3 | -175.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | W419 T445 V447 T463 | W419-A461 HydrophobicContact CD2-CB 4.18Å; W419-A461 HydrophobicContact CE3-CB 3.67Å; W419-A461 HydrophobicContact CH2-CB 4.5Å; W419-A461 HydrophobicContact CZ3-CB 3.85Å; T445-A461 HydrophobicContact CG2-CB 4.13Å; T445-A461 PolarHBondContact O-N 2.6Å; V447-A461 HydrophobicContact CG2-CB 4.05Å; A461-T463 HydrophobicContact CB-CG2 3.99Å; A461-T463 PolarHBondContact O-N 2.9Å | ||
| 462 | K | 76.8 | Confident | 79.8 | Confident | 64 Ų | 64 | 50 Ų | 50 | 28% | 0.278 | 27% | 0.269 | S | S | . | . | trans | -76.2 | 94.8 | 170 | 179.6 | -170.9 | -179.1 | -173.4 | 0 | 109 | E417 | E417-K462 IonicContact OE1-NZ 3.39Å; E417-K462 PolarHBondContact OE1-NZ 2.97Å; E417-K462 IonicContact OE2-NZ 3.6Å | ||
| 463 | T | 68.2 | Low | 79.8 | Confident | 36 Ų | 36 | 47.5 Ų | 47.5 | 22% | 0.221 | 26% | 0.258 | C | S | . | . | trans | -104.6 | -9.7 | -175.2 | 62 | 0 | 0 | 0 | 0 | 114.9 | V314 N315 W419 T445 A461 | V314-T463 HydrophobicContact CG1-CG2 3.88Å; N315-T463 VanDerWaalsContact ND2-C 3.28Å; N315-T463 WeakPolarHBondContact ND2-CB 3.03Å; N315-T463 PolarHBondContact ND2-O 3.49Å; N315-T463 PolarHBondContact ND2-OG1 2.03Å; N315-T463 PolarHBondContact OD1-OG1 2.74Å; W419-T463 HydrophobicContact CH2-CG2 4.31Å; W419-T463 HydrophobicContact CZ2-CG2 4.36Å; T445-T463 HydrophobicContact CG2-CG2 4.42Å; A461-T463 HydrophobicContact CB-CG2 3.99Å; A461-T463 PolarHBondContact O-N 2.9Å | ||
| 464 | S | 62.6 | Low | 79.9 | Confident | 49 Ų | 49 | 45.8 Ų | 45.8 | 34% | 0.343 | 25% | 0.245 | S | C | . | . | trans | -120.9 | 130.3 | -179.5 | 179 | 0 | 0 | 0 | 0 | 111.7 | L466 S467 | S464-L466 PolarHBondContact O-N 2.65Å; S464-L466 PolarHBondContact OG-N 3.3Å; S464-S467 WeakPolarHBondContact O-CB 3.38Å; S464-S467 PolarHBondContact O-N 2.98Å; S464-S467 VanDerWaalsContact O-N 3.08Å | ||
| 465 | L | 53.3 | Low | 80 | Confident | 164 Ų | 164 | 46.2 Ų | 46.2 | 86% | 0.859 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.2 | -15.1 | 173.5 | -63.9 | 174 | 0 | 0 | 0 | 113.3 | ||
| 466 | L | 46 | Very low | 80.1 | Confident | 162 Ų | 162 | 47.3 Ų | 47.3 | 85% | 0.848 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.5 | -7.4 | 175.1 | -60.8 | 176.1 | 0 | 0 | 0 | 112.7 | S464 L468 | S464-L466 PolarHBondContact O-N 2.65Å; S464-L466 PolarHBondContact OG-N 3.3Å; L466-L468 PolarHBondContact O-N 3.46Å |
| 467 | S | 52.3 | Low | 80 | Confident | 37 Ų | 37 | 47.3 Ų | 47.3 | 26% | 0.259 | 25% | 0.251 | S | S | . | . | trans | -73.5 | 115.6 | 169.3 | 173.8 | 0 | 0 | 0 | 0 | 109.2 | S464 N469 | S464-S467 WeakPolarHBondContact O-CB 3.38Å; S464-S467 PolarHBondContact O-N 2.98Å; S464-S467 VanDerWaalsContact O-N 3.08Å; S467-N469 PolarHBondContact O-N 3.26Å; S467-N469 PolarHBondContact OG-N 3.1Å; S467-N469 PolarHBondContact OG-O 2.82Å | ||
| 468 | L | 47 | Very low | 79.9 | Confident | 172 Ų | 172 | 50.1 Ų | 50.1 | 90% | 0.901 | 27% | 0.266 | S | S | * | . | trans | -69.8 | -9.7 | 169.9 | -68.4 | 170.1 | 0 | 0 | 0 | 112.8 | L466 | L466-L468 PolarHBondContact O-N 3.46Š| ||
| 469 | N | 57.4 | Low | 79.8 | Confident | 38 Ų | 38 | 50.1 Ų | 50.1 | 20% | 0.203 | 27% | 0.267 | C | S | . | . | P | Polyproline II helix | trans | -86.1 | 137.1 | 176.6 | -63 | -77 | 0 | 0 | 0 | 111.7 | S467 E565 | S467-N469 PolarHBondContact O-N 3.26Å; S467-N469 PolarHBondContact OG-N 3.1Å; S467-N469 PolarHBondContact OG-O 2.82Å; N469-E565 PolarHBondContact ND2-O 2.84Å; N469-E565 PolarHBondContact OD1-O 3.29Å |
| 470 | E | 75.1 | Confident | 79.6 | Confident | 147 Ų | 147 | 50.5 Ų | 50.5 | 69% | 0.687 | 27% | 0.268 | S | S | * | . | P | Polyproline II helix | trans | -65.2 | 171.7 | 160.2 | -64.9 | 174.3 | 174.1 | 0 | 0 | 111.1 | ||
| 471 | S | 88.4 | Confident | 79.2 | Confident | 13 Ų | 13 | 50.1 Ų | 50.1 | 9% | 0.091 | 27% | 0.266 | C | S | . | . | P | Polyproline II helix | trans | -67.2 | 150.4 | 170.9 | 54.5 | 0 | 0 | 0 | 0 | 110.9 | I31 W419 L460 | I31-S471 WeakPolarHBondContact CD1-O 3.41Å; W419-S471 WeakPolarHBondContact O-CB 3.22Å; W419-S471 PolarHBondContact O-OG 2.84Å; L460-S471 WeakPolarHBondContact O-CA 3.36Å; L460-S471 WeakPolarHBondContact O-CB 3.45Å |
| 472 | L | 92.1 | Very high | 79 | Confident | 31 Ų | 31 | 58.1 Ų | 58.1 | 16% | 0.162 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 126.7 | -173.3 | -56 | 175.3 | 0 | 0 | 0 | 110.8 | V459 L460 L474 | V459-L472 CarbonylContact C-O 3.52Å; V459-L472 VanDerWaalsContact CA-O 3.27Å; V459-L472 WeakPolarHBondContact CA-O 3.21Å; L460-L472 HydrophobicContact CB-CB 4.27Å; L460-L472 HydrophobicContact CD2-CD1 4.26Å; L460-L472 PolarHBondContact N-O 3.15Å; L460-L472 PolarHBondContact O-N 2.95Å; L460-L472 VanDerWaalsContact O-N 3.08Å; L472-L474 HydrophobicContact CB-CD2 4.27Å; L472-L474 PolarHBondContact O-N 2.94Å; L472-L474 VanDerWaalsContact O-N 3.1Å |
| 473 | L | 95.6 | Very high | 79.3 | Confident | 1 Ų | 1 | 59 Ų | 59 | 1% | 0.005 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 95.6 | 166 | -176.4 | 59.6 | 0 | 0 | 0 | 108.2 | I31 P33 L34 F420 L457 V459 | I31-L473 HydrophobicContact CB-CB 4.46Å; I31-L473 HydrophobicContact CG2-CB 4.06Å; I31-L473 WeakPolarHBondContact O-CD2 3.49Å; P33-L473 WeakPolarHBondContact CA-O 3.13Å; P33-L473 HydrophobicContact CB-CD2 3.81Å; P33-L473 HydrophobicContact CB-CG 3.87Å; P33-L473 HydrophobicContact CG-CD2 4.32Å; L34-L473 PolarHBondContact N-O 3.43Å; F420-L473 HydrophobicContact CE2-CB 4.19Å; F420-L473 HydrophobicContact CE2-CD1 4.46Å; F420-L473 HydrophobicContact CZ-CD1 4.28Å; F420-L473 HydrophobicContact CZ-CD2 4.34Å; L457-L473 HydrophobicContact CB-CD1 3.84Å; L457-L473 HydrophobicContact CD2-CD1 4.18Å; L457-L473 HydrophobicContact CG-CD1 4.4Å; V459-L473 HydrophobicContact CG2-CD1 3.89Å |
| 474 | L | 96.4 | Very high | 80.1 | Confident | 2 Ų | 2 | 58.8 Ų | 58.8 | 1% | 0.01 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.8 | -47.6 | 179.4 | -59.9 | 178.9 | 0 | 0 | 0 | 110.4 | L34 D35 K458 L460 L472 R537 | L34-L474 WeakPolarHBondContact CB-O 3.09Å; L34-L474 HydrophobicContact CD1-CD2 4Å; L34-L474 PolarHBondContact N-O 3.01Å; D35-L474 PolarHBondContact N-O 3.1Å; K458-L474 HydrophobicContact CD-CB 4.31Å; K458-L474 HydrophobicContact CD-CD1 4.39Å; K458-L474 HydrophobicContact CG-CB 4.29Å; K458-L474 HydrophobicContact CG-CD1 4.34Å; K458-L474 PolarHBondContact O-N 2.87Å; L460-L474 HydrophobicContact CB-CD1 4.1Å; L460-L474 HydrophobicContact CB-CD2 4.22Å; L460-L474 HydrophobicContact CB-CG 4.1Å; L472-L474 HydrophobicContact CB-CD2 4.27Å; L472-L474 PolarHBondContact O-N 2.94Å; L472-L474 VanDerWaalsContact O-N 3.1Å; L474-R537 HydrophobicContact CD2-CB 4.27Å |
| 475 | E | 97 | Very high | 81.3 | Confident | 10 Ų | 10 | 56.5 Ų | 56.5 | 5% | 0.047 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 141.1 | -175.2 | -51.8 | 179.1 | -120.4 | 0 | 0 | 113.1 | D35 K458 I477 R522 | D35-E475 HydrophobicContact CB-CG 4.45Å; D35-E475 VanDerWaalsContact O-CA 3.3Å; D35-E475 WeakPolarHBondContact O-CA 3.23Å; K458-E475 HydrophobicContact CB-CB 4.07Å; K458-E475 HydrophobicContact CD-CB 4.37Å; K458-E475 HydrophobicContact CD-CG 4.02Å; K458-E475 WeakPolarHBondContact CD-OE1 3.47Å; K458-E475 WeakPolarHBondContact CE-OE1 3.41Å; K458-E475 PolarHBondContact N-O 3.26Å; K458-E475 IonicContact NZ-OE1 2.67Å; K458-E475 PolarHBondContact NZ-OE1 3.38Å; K458-E475 PolarHBondContact O-N 3.29Å; E475-I477 HydrophobicContact CB-CD1 4.23Å; E475-I477 HydrophobicContact CB-CG1 3.99Å; E475-R522 IonicContact OE1-CZ 3.3Å; E475-R522 IonicContact OE1-NE 3.79Å; E475-R522 IonicContact OE1-NH2 3.06Å; E475-R522 PolarHBondContact OE1-NH2 3.44Å; E475-R522 IonicContact OE2-CZ 3.3Å; E475-R522 IonicContact OE2-NE 2.76Å; E475-R522 PolarHBondContact OE2-NE 3.49Å; E475-R522 IonicContact OE2-NH2 2.81Å; E475-R522 PolarHBondContact OE2-NH2 2.86Å |
| 476 | E | 97.4 | Very high | 82.6 | Confident | 38 Ų | 38 | 50.5 Ų | 50.5 | 18% | 0.178 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 118.4 | 164.3 | -177.2 | 152.6 | 167.1 | 0 | 0 | 109.1 | P33 D35 V36 V37 K422 Y427 V455 L457 | P33-E476 HydrophobicContact CB-CB 3.91Å; P33-E476 HydrophobicContact CG-CB 3.99Å; D35-E476 PolarHBondContact O-N 3.47Å; D35-E476 VanDerWaalsContact O-N 3.1Å; V36-E476 WeakPolarHBondContact CA-O 3.21Å; V37-E476 PolarHBondContact N-O 3.08Å; K422-E476 IonicContact NZ-OE2 2.72Å; K422-E476 PolarHBondContact NZ-OE2 2.83Å; Y427-E476 PolarHBondContact OH-OE1 2.85Å; V455-E476 HydrophobicContact CG1-CG 3.68Å; L457-E476 HydrophobicContact CD2-CB 3.92Å; L457-E476 HydrophobicContact CD2-CG 3.53Å |
| 477 | I | 97.4 | Very high | 84.1 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 116.1 | -165.2 | -49.9 | 178.5 | 0 | 0 | 0 | 110.3 | V37 T42 V455 V456 E475 V479 I518 | V37-I477 HydrophobicContact CB-CB 4.2Å; V37-I477 HydrophobicContact CB-CG1 4.09Å; V37-I477 HydrophobicContact CB-CG2 3.93Å; V37-I477 HydrophobicContact CG1-CG2 4.11Å; V37-I477 HydrophobicContact CG2-CG1 3.97Å; T42-I477 HydrophobicContact CG2-CG2 3.94Å; V455-I477 CarbonylContact C-O 3.47Å; V455-I477 VanDerWaalsContact CA-O 3.29Å; V455-I477 WeakPolarHBondContact CA-O 3.5Å; V456-I477 PolarHBondContact N-O 2.79Å; V456-I477 WeakPolarHBondContact O-CB 3.25Å; V456-I477 PolarHBondContact O-N 2.71Å; E475-I477 HydrophobicContact CB-CD1 4.23Å; E475-I477 HydrophobicContact CB-CG1 3.99Å; I477-V479 HydrophobicContact CB-CG2 4.24Å; I477-V479 HydrophobicContact CG2-CG2 3.56Å; I477-V479 PolarHBondContact O-N 2.99Å; I477-I518 HydrophobicContact CD1-CD1 4.31Å; I477-I518 HydrophobicContact CG2-CD1 4.44Å |
| 478 | D | 96.2 | Very high | 84.9 | Confident | 59 Ų | 59 | 50 Ų | 50 | 32% | 0.316 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 102.4 | 170.8 | -172.4 | -11.6 | 0 | 0 | 0 | 110.4 | V37 A39 T42 F480 | V37-D478 PolarHBondContact O-N 3.35Å; A39-D478 HydrophobicContact CB-CB 4.11Å; A39-D478 WeakPolarHBondContact CB-OD2 3.38Å; T42-D478 VanDerWaalsContact CB-O 3.32Å; T42-D478 WeakPolarHBondContact CB-O 3.46Å; T42-D478 WeakPolarHBondContact CG2-O 3.39Å; T42-D478 PolarHBondContact OG1-O 2.65Å; D478-F480 PolarHBondContact OD1-N 2.72Å |
| 479 | V | 95.6 | Very high | 86.4 | Confident | 1 Ų | 1 | 49.5 Ų | 49.5 | 1% | 0.006 | 25% | 0.249 | C | C | . | . | trans | -90.9 | -19.1 | -172.5 | -177.7 | 0 | 0 | 0 | 0 | 112.3 | G454 V456 I477 N481 V509 F511 I516 I518 | G454-V479 PolarHBondContact O-N 2.91Å; V456-V479 HydrophobicContact CB-CG2 4.05Å; V456-V479 HydrophobicContact CG2-CB 4.49Å; V456-V479 HydrophobicContact CG2-CG2 3.78Å; I477-V479 HydrophobicContact CB-CG2 4.24Å; I477-V479 HydrophobicContact CG2-CG2 3.56Å; I477-V479 PolarHBondContact O-N 2.99Å; V479-N481 PolarHBondContact O-N 2.76Å; V479-V509 HydrophobicContact CG1-CB 4.11Å; V479-V509 HydrophobicContact CG1-CG1 4.07Å; V479-V509 HydrophobicContact CG1-CG2 4.19Å; V479-F511 HydrophobicContact CB-CZ 4.28Å; V479-F511 HydrophobicContact CG1-CE2 4.15Å; V479-F511 HydrophobicContact CG1-CZ 4.13Å; V479-I516 HydrophobicContact CG1-CB 4.14Å; V479-I516 HydrophobicContact CG1-CD1 4.11Å; V479-I516 HydrophobicContact CG1-CG2 4.08Å; V479-I516 VanDerWaalsContact O-CD1 3.27Å; V479-I516 WeakPolarHBondContact O-CD1 3.4Å; V479-I518 HydrophobicContact CG1-CG2 4.19Å; V479-I518 HydrophobicContact CG2-CD1 4.12Å | ||
| 480 | F | 92.4 | Very high | 87.3 | Confident | 11 Ų | 11 | 53.7 Ų | 53.7 | 5% | 0.048 | 27% | 0.267 | C | S | . | . | trans | -78.7 | 98.3 | -165.7 | -171 | -98.1 | 0 | 0 | 0 | 114.2 | D478 R482 C485 D492 K493 F511 | D478-F480 PolarHBondContact OD1-N 2.72Å; F480-R482 HydrophobicContact CD1-CG 3.93Å; F480-R482 HydrophobicContact CE1-CG 3.9Å; F480-R482 PolarHBondContact O-N 2.85Å; F480-R482 VanDerWaalsContact O-N 3.14Å; F480-C485 HydrophobicContact CE2-CB 3.94Å; F480-C485 HydrophobicContact CZ-CB 4.05Å; F480-D492 WeakPolarHBondContact CE2-O 3.46Å; F480-K493 HydrophobicContact CD1-CB 4.42Å; F480-K493 HydrophobicContact CD1-CD 4.34Å; F480-K493 HydrophobicContact CD1-CG 3.71Å; F480-K493 HydrophobicContact CD2-CB 4.36Å; F480-K493 HydrophobicContact CD2-CG 4.39Å; F480-K493 HydrophobicContact CE1-CG 3.72Å; F480-K493 HydrophobicContact CE2-CG 4.41Å; F480-K493 HydrophobicContact CG-CB 4.25Å; F480-K493 HydrophobicContact CG-CG 4.04Å; F480-K493 HydrophobicContact CZ-CG 4.08Å; F480-F511 HydrophobicContact CB-CE1 4.33Å; F480-F511 HydrophobicContact CB-CZ 4.38Å; F480-F511 AromaticContact CD2-CD1 3.62Å; F480-F511 HydrophobicContact CD2-CD1 3.62Å; F480-F511 HydrophobicContact CD2-CD2 4.33Å; F480-F511 AromaticContact CD2-CE1 3.68Å; F480-F511 HydrophobicContact CD2-CE1 3.68Å; F480-F511 HydrophobicContact CD2-CE2 4.38Å; F480-F511 AromaticContact CD2-CG 3.95Å; F480-F511 HydrophobicContact CD2-CG 3.95Å; F480-F511 HydrophobicContact CD2-CZ 4.07Å; F480-F511 HydrophobicContact CE2-CB 4.37Å; F480-F511 HydrophobicContact CE2-CD1 4.07Å; F480-F511 HydrophobicContact CE2-CG 4.14Å; F480-F511 HydrophobicContact CG-CE1 4.49Å | ||
| 481 | N | 86.5 | Confident | 87.6 | Confident | 7 Ų | 7 | 51.3 Ų | 51.3 | 4% | 0.037 | 26% | 0.259 | C | S | . | . | trans | -83.9 | 89.9 | -178.5 | -173 | -15.7 | 0 | 0 | 0 | 112.9 | R43 V479 A483 K484 C485 I516 | R43-N481 WeakPolarHBondContact CA-ND2 3.29Å; R43-N481 PolarHBondContact O-ND2 3.38Å; V479-N481 PolarHBondContact O-N 2.76Å; N481-A483 PolarHBondContact O-N 2.88Å; N481-A483 PolarHBondContact OD1-N 2.81Å; N481-A483 VanDerWaalsContact OD1-N 3.09Å; N481-K484 HydrophobicContact CB-CB 4.28Å; N481-K484 VanDerWaalsContact ND2-CD 3.34Å; N481-K484 WeakPolarHBondContact ND2-CD 3.37Å; N481-K484 VanDerWaalsContact ND2-CG 3.33Å; N481-K484 WeakPolarHBondContact ND2-CG 3.37Å; N481-K484 PolarHBondContact O-N 2.9Å; N481-K484 PolarHBondContact OD1-N 3Å; N481-C485 PolarHBondContact O-N 2.88Å; N481-I516 HydrophobicContact CB-CD1 4.21Å | ||
| 482 | R | 85.2 | Confident | 87.5 | Confident | 178 Ų | 178 | 50.8 Ų | 50.8 | 67% | 0.672 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.8 | -24.2 | 175.8 | -57.2 | -169.4 | -168.5 | -153.6 | 8 | 115.1 | F480 | F480-R482 HydrophobicContact CD1-CG 3.93Å; F480-R482 HydrophobicContact CE1-CG 3.9Å; F480-R482 PolarHBondContact O-N 2.85Å; F480-R482 VanDerWaalsContact O-N 3.14Å |
| 483 | A | 83.8 | Confident | 87.6 | Confident | 82 Ų | 82 | 50.3 Ų | 50.3 | 68% | 0.678 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.1 | -19.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | N481 | N481-A483 PolarHBondContact O-N 2.88Å; N481-A483 PolarHBondContact OD1-N 2.81Å; N481-A483 VanDerWaalsContact OD1-N 3.09Å |
| 484 | K | 85.4 | Confident | 87.6 | Confident | 32 Ų | 32 | 53.9 Ų | 53.9 | 14% | 0.139 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.3 | -33.9 | 175.2 | -68.7 | -172 | -173.2 | -175.7 | 0 | 112.9 | R43 Y45 V47 R49 N92 N481 | R43-K484 VanDerWaalsContact O-CE 3.23Å; R43-K484 WeakPolarHBondContact O-CE 3.39Å; R43-K484 PolarHBondContact O-NZ 3.32Å; Y45-K484 PolarHBondContact O-NZ 2.9Å; V47-K484 HydrophobicContact CB-CB 4.07Å; V47-K484 HydrophobicContact CB-CD 3.95Å; V47-K484 HydrophobicContact CG1-CB 4.15Å; V47-K484 HydrophobicContact CG2-CB 3.8Å; V47-K484 HydrophobicContact CG2-CD 3.42Å; V47-K484 VanDerWaalsContact CG2-CD 3.42Å; V47-K484 HydrophobicContact CG2-CG 4.26Å; R49-K484 VanDerWaalsContact CD-O 3.26Å; R49-K484 WeakPolarHBondContact CD-O 3.3Å; R49-K484 PolarHBondContact NE-O 2.96Å; R49-K484 PolarHBondContact NH1-O 2.81Å; N92-K484 PolarHBondContact O-NZ 3.03Å; N481-K484 HydrophobicContact CB-CB 4.28Å; N481-K484 VanDerWaalsContact ND2-CD 3.34Å; N481-K484 WeakPolarHBondContact ND2-CD 3.37Å; N481-K484 VanDerWaalsContact ND2-CG 3.33Å; N481-K484 WeakPolarHBondContact ND2-CG 3.37Å; N481-K484 PolarHBondContact O-N 2.9Å; N481-K484 PolarHBondContact OD1-N 3Å |
| 485 | C | 87.1 | Confident | 87.6 | Confident | 1 Ų | 1 | 53.8 Ų | 53.8 | 1% | 0.007 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -100 | 114.3 | 179.3 | -58.4 | 0 | 0 | 0 | 0 | 110 | F480 N481 S487 C514 | F480-C485 HydrophobicContact CE2-CB 3.94Å; F480-C485 HydrophobicContact CZ-CB 4.05Å; N481-C485 PolarHBondContact O-N 2.88Å; C485-S487 PolarHBondContact O-N 3.29Å; C485-C514 HydrophobicContact CB-CB 3.81Å; C485-C514 WeakPolarHBondContact CB-SG 3.22Å; C485-C514 WeakPolarHBondContact SG-CB 3.47Å; C485-C514 CovalentContact SG-SG 2.03Å; C485-C514 PolarHBondContact SG-SG 3.23Å |
| 486 | P | 80.1 | Confident | 87.6 | Confident | 38 Ų | 38 | 56.7 Ų | 56.7 | 25% | 0.247 | 28% | 0.281 | C | S | . | . | trans | -66.6 | 131.1 | 177.7 | 28.2 | -32.1 | 0 | 0 | 0 | 109.4 | S513 | P486-S513 WeakPolarHBondContact O-CB 3.42Å; P486-S513 PolarHBondContact O-OG 2.99Å | ||
| 487 | S | 76.9 | Confident | 87.6 | Confident | 47 Ų | 47 | 56.4 Ų | 56.4 | 33% | 0.329 | 28% | 0.283 | S | S | . | . | trans | -133.5 | 114.3 | -171.1 | -156.6 | 0 | 0 | 0 | 0 | 107.9 | C485 R489 | C485-S487 PolarHBondContact O-N 3.29Å; S487-R489 PolarHBondContact OG-O 3.01Å | ||
| 488 | N | 70.7 | Confident | 87.6 | Confident | 143 Ų | 143 | 57.1 Ų | 57.1 | 77% | 0.765 | 29% | 0.287 | S | S | * | . | S | Bend | trans | -106.1 | -15.2 | 177.1 | -66.4 | 18.2 | 0 | 0 | 0 | 111.2 | D492 | N488-D492 PolarHBondContact N-OD2 3.38Š|
| 489 | R | 76.8 | Confident | 87.6 | Confident | 161 Ų | 161 | 56.3 Ų | 56.3 | 61% | 0.608 | 28% | 0.281 | S | S | * | . | S | Bend | trans | -132 | 158.3 | 178 | -63.1 | 171.2 | 63 | 131.4 | 1.2 | 109.8 | S487 D491 D492 | S487-R489 PolarHBondContact OG-O 3.01Å; R489-D491 VanDerWaalsContact C-N 3.26Å; R489-D491 HydrophobicContact CB-CB 4.31Å; R489-D491 IonicContact CZ-OD2 3.74Å; R489-D491 IonicContact NE-OD2 2.69Å; R489-D491 PolarHBondContact NE-OD2 2.68Å; R489-D491 IonicContact NH2-OD2 3.12Å; R489-D491 PolarHBondContact NH2-OD2 3.06Å; R489-D492 PolarHBondContact N-OD2 3.08Å; R489-D492 WeakPolarHBondContact O-CB 3.45Å; R489-D492 PolarHBondContact O-N 3.22Å |
| 490 | E | 78.2 | Confident | 87.6 | Confident | 125 Ų | 125 | 57.4 Ų | 57.4 | 58% | 0.584 | 29% | 0.288 | S | S | * | . | G | 310 helix | trans | -64.3 | -34.1 | 167.8 | -78 | -71.2 | 125.1 | 0 | 0 | 111.3 | D492 K493 | E490-D492 PolarHBondContact O-N 3.2Å; E490-D492 VanDerWaalsContact O-N 3.09Å; E490-K493 WeakPolarHBondContact O-CB 3.43Å; E490-K493 WeakPolarHBondContact O-CG 3.25Å; E490-K493 PolarHBondContact O-N 3.03Å; E490-K493 VanDerWaalsContact O-N 3.14Å; E490-K493 WeakPolarHBondContact OE1-CE 3.22Å; E490-K493 IonicContact OE1-NZ 3.74Å; E490-K493 PolarHBondContact OE1-NZ 3.23Å; E490-K493 WeakPolarHBondContact OE2-CE 3.24Å; E490-K493 IonicContact OE2-NZ 3.62Å; E490-K493 PolarHBondContact OE2-NZ 3.16Å |
| 491 | D | 80.9 | Confident | 87.6 | Confident | 97 Ų | 97 | 57 Ų | 57 | 52% | 0.519 | 29% | 0.286 | S | S | . | . | G | 310 helix | trans | -56.5 | -25.6 | 176.5 | -49.2 | -62.1 | 0 | 0 | 0 | 113.7 | R489 K493 R494 | R489-D491 VanDerWaalsContact C-N 3.26Å; R489-D491 HydrophobicContact CB-CB 4.31Å; R489-D491 IonicContact CZ-OD2 3.74Å; R489-D491 IonicContact NE-OD2 2.69Å; R489-D491 PolarHBondContact NE-OD2 2.68Å; R489-D491 IonicContact NH2-OD2 3.12Å; R489-D491 PolarHBondContact NH2-OD2 3.06Å; D491-K493 PolarHBondContact O-N 3.27Å; D491-R494 WeakPolarHBondContact O-CB 3.48Å; D491-R494 PolarHBondContact O-N 3.23Å; D491-R494 VanDerWaalsContact O-N 3.1Å |
| 492 | D | 86.1 | Confident | 87.8 | Confident | 3 Ų | 3 | 59.8 Ų | 59.8 | 2% | 0.016 | 30% | 0.301 | C | S | . | . | G | 310 helix | trans | -65.7 | -17.5 | -178.4 | -64.6 | -27.3 | 0 | 0 | 0 | 112.6 | R60 F480 N488 R489 E490 R494 | R60-D492 IonicContact CZ-OD1 3.79Å; R60-D492 IonicContact NH1-OD1 2.61Å; R60-D492 PolarHBondContact NH1-OD1 3.24Å; R60-D492 IonicContact NH1-OD2 2.68Å; R60-D492 PolarHBondContact NH1-OD2 3.08Å; R60-D492 IonicContact NH2-OD1 3.55Å; R60-D492 PolarHBondContact NH2-OD1 2.85Å; F480-D492 WeakPolarHBondContact CE2-O 3.46Å; N488-D492 PolarHBondContact N-OD2 3.38Å; R489-D492 PolarHBondContact N-OD2 3.08Å; R489-D492 WeakPolarHBondContact O-CB 3.45Å; R489-D492 PolarHBondContact O-N 3.22Å; E490-D492 PolarHBondContact O-N 3.2Å; E490-D492 VanDerWaalsContact O-N 3.09Å; D492-R494 VanDerWaalsContact C-N 3.33Å |
| 493 | K | 93 | Very high | 88 | Confident | 20 Ų | 20 | 56.8 Ų | 56.8 | 9% | 0.087 | 30% | 0.298 | C | S | . | . | G | 310 helix | trans | -76.9 | -15.2 | 175.2 | -58.1 | -179.7 | -172.7 | 165.5 | 0 | 113.8 | G454 F480 E490 D491 V495 F511 | G454-K493 WeakPolarHBondContact CA-O 3.27Å; G454-K493 PolarHBondContact N-O 2.79Å; F480-K493 HydrophobicContact CD1-CB 4.42Å; F480-K493 HydrophobicContact CD1-CD 4.34Å; F480-K493 HydrophobicContact CD1-CG 3.71Å; F480-K493 HydrophobicContact CD2-CB 4.36Å; F480-K493 HydrophobicContact CD2-CG 4.39Å; F480-K493 HydrophobicContact CE1-CG 3.72Å; F480-K493 HydrophobicContact CE2-CG 4.41Å; F480-K493 HydrophobicContact CG-CB 4.25Å; F480-K493 HydrophobicContact CG-CG 4.04Å; F480-K493 HydrophobicContact CZ-CG 4.08Å; E490-K493 WeakPolarHBondContact O-CB 3.43Å; E490-K493 WeakPolarHBondContact O-CG 3.25Å; E490-K493 PolarHBondContact O-N 3.03Å; E490-K493 VanDerWaalsContact O-N 3.14Å; E490-K493 WeakPolarHBondContact OE1-CE 3.22Å; E490-K493 IonicContact OE1-NZ 3.74Å; E490-K493 PolarHBondContact OE1-NZ 3.23Å; E490-K493 WeakPolarHBondContact OE2-CE 3.24Å; E490-K493 IonicContact OE2-NZ 3.62Å; E490-K493 PolarHBondContact OE2-NZ 3.16Å; D491-K493 PolarHBondContact O-N 3.27Å; K493-V495 PolarHBondContact O-N 3.31Å; K493-F511 WeakPolarHBondContact O-CD1 3.37Å; K493-F511 VanDerWaalsContact O-CE1 3.24Å; K493-F511 WeakPolarHBondContact O-CE1 3.45Å |
| 494 | R | 95.6 | Very high | 88.3 | Confident | 76 Ų | 76 | 54.7 Ų | 54.7 | 29% | 0.287 | 28% | 0.277 | S | S | . | . | S | Bend | trans | -62.1 | 123.4 | -175.9 | -178.3 | 178.9 | 179.2 | 99.3 | -0.6 | 110.2 | T430 E452 D491 D492 L496 | T430-R494 HydrophobicContact CG2-CG 4.21Å; E452-R494 HydrophobicContact CB-CB 4.39Å; E452-R494 HydrophobicContact CB-CG 4.02Å; E452-R494 IonicContact OE2-NH1 2.97Å; E452-R494 PolarHBondContact OE2-NH1 3.31Å; D491-R494 WeakPolarHBondContact O-CB 3.48Å; D491-R494 PolarHBondContact O-N 3.23Å; D491-R494 VanDerWaalsContact O-N 3.1Å; D492-R494 VanDerWaalsContact C-N 3.33Å; R494-L496 HydrophobicContact CB-CD2 4.37Å; R494-L496 HydrophobicContact CG-CD2 4.09Å; R494-L496 PolarHBondContact O-N 2.75Å |
| 495 | V | 97.8 | Very high | 88.7 | Confident | 1 Ų | 1 | 54 Ų | 54 | 1% | 0.006 | 27% | 0.274 | C | S | . | . | trans | -66.1 | 116.8 | 169.5 | -177 | 0 | 0 | 0 | 0 | 108 | T430 A431 A451 V456 K493 L498 V509 F511 | T430-V495 PolarHBondContact OG1-O 2.9Å; A431-V495 HydrophobicContact CB-CG1 3.89Å; A451-V495 WeakPolarHBondContact O-CG2 3.27Å; A451-V495 PolarHBondContact O-N 3.27Å; A451-V495 VanDerWaalsContact O-N 3.16Å; V456-V495 HydrophobicContact CG2-CG2 4.38Å; K493-V495 PolarHBondContact O-N 3.31Å; V495-L498 HydrophobicContact CG1-CD2 3.79Å; V495-L498 HydrophobicContact CG1-CG 4.11Å; V495-V509 HydrophobicContact CG1-CG1 3.9Å; V495-V509 HydrophobicContact CG2-CG1 4.08Å; V495-F511 HydrophobicContact CG2-CD1 4.49Å; V495-F511 HydrophobicContact CG2-CE1 3.67Å; V495-F511 HydrophobicContact CG2-CZ 4.09Å | ||
| 496 | L | 96.6 | Very high | 89.1 | Confident | 71 Ų | 71 | 54.3 Ų | 54.3 | 37% | 0.372 | 28% | 0.276 | S | S | . | . | trans | -93.4 | -32.5 | -176.1 | -61 | -177.1 | 0 | 0 | 0 | 112.5 | F63 R494 A510 | F63-L496 HydrophobicContact CD1-CB 4.04Å; F63-L496 HydrophobicContact CD1-CD1 3.9Å; F63-L496 HydrophobicContact CE1-CB 4.13Å; R494-L496 HydrophobicContact CB-CD2 4.37Å; R494-L496 HydrophobicContact CG-CD2 4.09Å; R494-L496 PolarHBondContact O-N 2.75Å; L496-A510 PolarHBondContact N-O 3.2Å | ||
| 497 | S | 97.3 | Very high | 89.9 | Confident | 32 Ų | 32 | 52.5 Ų | 52.5 | 22% | 0.224 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.1 | 150.6 | -179.5 | 178.8 | 0 | 0 | 0 | 0 | 110.5 | M66 A510 | M66-S497 WeakPolarHBondContact CE-OG 3.02Å; S497-A510 PolarHBondContact O-N 3.25Å |
| 498 | L | 97.9 | Very high | 90.8 | Very high | 14 Ų | 14 | 50.3 Ų | 50.3 | 7% | 0.073 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 141 | 173.9 | -70.1 | -175.8 | 0 | 0 | 0 | 108.7 | A431 A433 F448 V456 V495 L507 Y508 V509 | A431-L498 HydrophobicContact CB-CG 4.09Å; A433-L498 HydrophobicContact CB-CB 3.72Å; F448-L498 HydrophobicContact CB-CD1 4.15Å; F448-L498 VanDerWaalsContact O-CD1 3.3Å; F448-L498 WeakPolarHBondContact O-CD1 3.46Å; V456-L498 HydrophobicContact CG2-CD2 4.33Å; V495-L498 HydrophobicContact CG1-CD2 3.79Å; V495-L498 HydrophobicContact CG1-CG 4.11Å; L498-L507 HydrophobicContact CB-CD1 4.26Å; L498-L507 HydrophobicContact CD2-CD1 4.37Å; L498-L507 HydrophobicContact CD2-CD2 4.2Å; L498-L507 HydrophobicContact CD2-CG 4.42Å; L498-Y508 WeakPolarHBondContact CA-O 3.46Å; L498-V509 HydrophobicContact CD2-CB 4.11Å; L498-V509 HydrophobicContact CD2-CG1 3.87Å; L498-V509 HydrophobicContact CD2-CG2 3.84Å |
| 499 | H | 96.2 | Very high | 92.1 | Very high | 43 Ų | 43 | 43.5 Ų | 43.5 | 20% | 0.199 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 118.4 | 172.6 | -177.4 | 76.6 | 0 | 0 | 0 | 110.6 | M66 K68 Y508 | M66-H499 HydrophobicContact CE-CB 3.69Å; M66-H499 HydrophobicContact CG-CB 4.47Å; M66-H499 HydrophobicContact SD-CB 4.05Å; K68-H499 WeakPolarHBondContact CB-NE2 3.17Å; H499-Y508 PolarHBondContact N-O 3.1Å; H499-Y508 PolarHBondContact O-N 2.65Å |
| 500 | V | 95.1 | Very high | 93.1 | Very high | 24 Ų | 24 | 35.8 Ų | 35.8 | 15% | 0.145 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 126.1 | 176.2 | 166.7 | 0 | 0 | 0 | 0 | 109.2 | A433 D435 F448 N502 L507 L520 | A433-V500 HydrophobicContact CB-CB 4.44Å; A433-V500 HydrophobicContact CB-CG2 3.68Å; D435-V500 HydrophobicContact CB-CG1 4.49Å; F448-V500 HydrophobicContact CD2-CG2 3.72Å; F448-V500 HydrophobicContact CE2-CG2 4.04Å; V500-N502 WeakPolarHBondContact CG1-OD1 3.23Å; V500-L507 HydrophobicContact CG2-CD1 3.51Å; V500-L520 HydrophobicContact CG1-CD1 4.23Å; V500-L520 HydrophobicContact CG1-CD2 4.03Å; V500-L520 HydrophobicContact CG2-CD2 4.11Å |
| 501 | D | 93.3 | Very high | 94 | Very high | 2 Ų | 2 | 29.9 Ų | 29.9 | 1% | 0.011 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 102.6 | 165.9 | 177.6 | 50.7 | 0 | 0 | 0 | 110.6 | K68 N503 T504 H505 S506 | K68-D501 IonicContact NZ-OD1 3.23Å; K68-D501 PolarHBondContact NZ-OD1 2.85Å; D501-N503 VanDerWaalsContact C-N 3.25Å; D501-N503 PolarHBondContact O-N 3Å; D501-N503 PolarHBondContact OD1-N 2.7Å; D501-T504 WeakPolarHBondContact OD2-CA 3.34Å; D501-T504 WeakPolarHBondContact OD2-CB 3.37Å; D501-T504 WeakPolarHBondContact OD2-CG2 3.24Å; D501-T504 PolarHBondContact OD2-N 3.4Å; D501-T504 PolarHBondContact OD2-OG1 2.98Å; D501-H505 VanDerWaalsContact O-CA 3.29Å; D501-H505 WeakPolarHBondContact O-CA 3.06Å; D501-H505 PolarHBondContact O-N 2.83Å; D501-S506 PolarHBondContact N-O 3.14Å; D501-S506 PolarHBondContact O-N 3.17Å |
| 502 | N | 90.8 | Very high | 94.5 | Very high | 65 Ų | 65 | 26.4 Ų | 26.4 | 35% | 0.348 | 14% | 0.139 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64 | -29.4 | 177.9 | -73.8 | 2.8 | 0 | 0 | 0 | 112.7 | D435 V500 H505 | D435-N502 PolarHBondContact OD1-ND2 2.8Å; D435-N502 PolarHBondContact OD2-ND2 2.97Å; V500-N502 WeakPolarHBondContact CG1-OD1 3.23Å; N502-H505 PolarHBondContact O-N 2.83Å |
| 503 | N | 89.4 | Confident | 94.8 | Very high | 115 Ų | 115 | 26.3 Ų | 26.3 | 62% | 0.615 | 14% | 0.139 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | -53.8 | -177.6 | -68.4 | -3.2 | 0 | 0 | 0 | 110.9 | D501 H505 | D501-N503 VanDerWaalsContact C-N 3.25Å; D501-N503 PolarHBondContact O-N 3Å; D501-N503 PolarHBondContact OD1-N 2.7Å; N503-H505 VanDerWaalsContact C-N 3.31Å |
| 504 | T | 90.1 | Very high | 94.8 | Very high | 39 Ų | 39 | 25.4 Ų | 25.4 | 24% | 0.239 | 14% | 0.135 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.8 | 6.1 | 177.4 | 73.9 | 0 | 0 | 0 | 0 | 112.7 | L86 D501 S506 R517 | L86-T504 HydrophobicContact CB-CG2 4.2Å; L86-T504 VanDerWaalsContact O-CG2 3.25Å; L86-T504 WeakPolarHBondContact O-CG2 3.33Å; D501-T504 WeakPolarHBondContact OD2-CA 3.34Å; D501-T504 WeakPolarHBondContact OD2-CB 3.37Å; D501-T504 WeakPolarHBondContact OD2-CG2 3.24Å; D501-T504 PolarHBondContact OD2-N 3.4Å; D501-T504 PolarHBondContact OD2-OG1 2.98Å; T504-S506 VanDerWaalsContact C-N 3.29Å; T504-S506 PolarHBondContact O-N 3.38Å; T504-S506 PolarHBondContact O-OG 2.75Å; T504-S506 PolarHBondContact OG1-OG 2.81Å; T504-R517 PolarHBondContact OG1-NH2 3Å |
| 505 | H | 93.3 | Very high | 94.8 | Very high | 17 Ų | 17 | 21.8 Ų | 21.8 | 8% | 0.079 | 12% | 0.121 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 51.4 | 48 | 176.3 | -175.2 | -99.3 | 0 | 0 | 0 | 112.6 | D501 N502 N503 P519 L520 S521 Y540 R551 | D501-H505 VanDerWaalsContact O-CA 3.29Å; D501-H505 WeakPolarHBondContact O-CA 3.06Å; D501-H505 PolarHBondContact O-N 2.83Å; N502-H505 PolarHBondContact O-N 2.83Å; N503-H505 VanDerWaalsContact C-N 3.31Å; H505-P519 WeakPolarHBondContact O-CA 3.49Å; H505-L520 PolarHBondContact O-N 2.94Å; H505-L520 VanDerWaalsContact O-N 3.08Å; H505-S521 PolarHBondContact CE1-OG 3.29Å; H505-Y540 AromaticContact NE2-CD1 3.78Å; H505-Y540 AromaticContact NE2-CG 3.75Å; H505-R551 PolarHBondContact CD2-NE 3.14Å; H505-R551 PolarHBondContact CD2-NH2 3.02Å; H505-R551 PolarHBondContact NE2-NE 3.19Å |
| 506 | S | 94.6 | Very high | 94.7 | Very high | 7 Ų | 7 | 21.9 Ų | 21.9 | 5% | 0.049 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 137.2 | -171.8 | -63.3 | 0 | 0 | 0 | 0 | 111.4 | D501 T504 R517 I518 | D501-S506 PolarHBondContact N-O 3.14Å; D501-S506 PolarHBondContact O-N 3.17Å; T504-S506 VanDerWaalsContact C-N 3.29Å; T504-S506 PolarHBondContact O-N 3.38Å; T504-S506 PolarHBondContact O-OG 2.75Å; T504-S506 PolarHBondContact OG1-OG 2.81Å; S506-R517 PolarHBondContact OG-NE 2.71Å; S506-R517 PolarHBondContact OG-NH2 2.76Å; S506-R517 VanDerWaalsContact OG-NH2 3.14Å; S506-I518 CarbonylContact C-O 3.57Å; S506-I518 WeakPolarHBondContact CA-O 3.32Å |
| 507 | L | 97 | Very high | 94.7 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 126.7 | 164.2 | -179.1 | 73.3 | 0 | 0 | 0 | 108.7 | A433 F448 V456 L498 V500 V509 I518 L520 | A433-L507 HydrophobicContact CB-CD1 4.36Å; F448-L507 HydrophobicContact CB-CD1 4.26Å; F448-L507 HydrophobicContact CB-CD2 4.12Å; F448-L507 HydrophobicContact CD1-CD2 3.89Å; F448-L507 HydrophobicContact CG-CD1 4.31Å; F448-L507 HydrophobicContact CG-CD2 4.11Å; V456-L507 HydrophobicContact CG1-CD2 4.02Å; L498-L507 HydrophobicContact CB-CD1 4.26Å; L498-L507 HydrophobicContact CD2-CD1 4.37Å; L498-L507 HydrophobicContact CD2-CD2 4.2Å; L498-L507 HydrophobicContact CD2-CG 4.42Å; V500-L507 HydrophobicContact CG2-CD1 3.51Å; L507-V509 HydrophobicContact CD2-CG2 3.83Å; L507-V509 HydrophobicContact CG-CG2 3.97Å; L507-I518 HydrophobicContact CB-CG1 3.91Å; L507-I518 HydrophobicContact CD2-CD1 4.05Å; L507-I518 HydrophobicContact CD2-CG1 4.21Å; L507-I518 HydrophobicContact CG-CG1 4.48Å; L507-I518 PolarHBondContact N-O 3.47Å; L507-I518 PolarHBondContact O-N 3.03Å; L507-L520 HydrophobicContact CB-CD2 3.96Å |
| 508 | Y | 97.3 | Very high | 94.6 | Very high | 1 Ų | 1 | 18.6 Ų | 18.6 | 0% | 0.004 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 125.8 | 169.2 | -68 | -101.1 | 0 | 0 | 0 | 108.6 | L73 L86 I94 L498 H499 V515 I516 R517 | L73-Y508 HydrophobicContact CD2-CD1 3.47Å; L73-Y508 VanDerWaalsContact CD2-CD1 3.47Å; L73-Y508 HydrophobicContact CD2-CD2 4.38Å; L73-Y508 HydrophobicContact CD2-CE1 3.79Å; L73-Y508 HydrophobicContact CD2-CG 3.8Å; L86-Y508 HydrophobicContact CD2-CE1 4.44Å; L86-Y508 HydrophobicContact CD2-CE2 3.6Å; L86-Y508 WeakPolarHBondContact CD2-OH 3.41Å; I94-Y508 HydrophobicContact CD1-CE1 4.45Å; L498-Y508 WeakPolarHBondContact CA-O 3.46Å; H499-Y508 PolarHBondContact N-O 3.1Å; H499-Y508 PolarHBondContact O-N 2.65Å; Y508-V515 HydrophobicContact CD1-CG1 4.35Å; Y508-I516 CarbonylContact C-O 3.56Å; Y508-I516 WeakPolarHBondContact CA-O 3.32Å; Y508-R517 HydrophobicContact CD1-CB 4.2Å; Y508-R517 HydrophobicContact CD1-CG 4.48Å; Y508-R517 HydrophobicContact CE1-CB 3.98Å; Y508-R517 HydrophobicContact CE1-CG 4Å; Y508-R517 HydrophobicContact CE2-CG 4.29Å |
| 509 | V | 98.1 | Very high | 94.5 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 113 | -175.9 | -173.8 | 0 | 0 | 0 | 0 | 108.4 | V456 V479 V495 L498 L507 F511 V515 I516 I518 | V456-V509 HydrophobicContact CG2-CG1 3.96Å; V456-V509 HydrophobicContact CG2-CG2 4.21Å; V479-V509 HydrophobicContact CG1-CB 4.11Å; V479-V509 HydrophobicContact CG1-CG1 4.07Å; V479-V509 HydrophobicContact CG1-CG2 4.19Å; V495-V509 HydrophobicContact CG1-CG1 3.9Å; V495-V509 HydrophobicContact CG2-CG1 4.08Å; L498-V509 HydrophobicContact CD2-CB 4.11Å; L498-V509 HydrophobicContact CD2-CG1 3.87Å; L498-V509 HydrophobicContact CD2-CG2 3.84Å; L507-V509 HydrophobicContact CD2-CG2 3.83Å; L507-V509 HydrophobicContact CG-CG2 3.97Å; V509-F511 HydrophobicContact CB-CE2 4.27Å; V509-F511 HydrophobicContact CG1-CE1 4.48Å; V509-F511 HydrophobicContact CG1-CE2 3.67Å; V509-F511 HydrophobicContact CG1-CZ 3.63Å; V509-V515 CarbonylContact O-C 3.58Å; V509-V515 WeakPolarHBondContact O-CA 3.41Å; V509-I516 PolarHBondContact N-O 3.05Å; V509-I516 PolarHBondContact O-N 3.15Å; V509-I518 HydrophobicContact CG2-CD1 4.33Å; V509-I518 HydrophobicContact CG2-CG1 4.42Å |
| 510 | A | 97.4 | Very high | 94.5 | Very high | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 134.6 | -174.6 | 0 | 0 | 0 | 0 | 0 | 113 | F63 M66 L496 S497 V515 | F63-A510 HydrophobicContact CD1-CB 4.04Å; F63-A510 HydrophobicContact CD2-CB 3.95Å; F63-A510 HydrophobicContact CE1-CB 3.62Å; F63-A510 HydrophobicContact CE2-CB 3.5Å; F63-A510 HydrophobicContact CG-CB 4.2Å; F63-A510 HydrophobicContact CZ-CB 3.33Å; M66-A510 HydrophobicContact CE-CB 3.86Å; M66-A510 HydrophobicContact SD-CB 4.31Å; L496-A510 PolarHBondContact N-O 3.2Å; S497-A510 PolarHBondContact O-N 3.25Å; A510-V515 HydrophobicContact CB-CG1 4.39Å; A510-V515 HydrophobicContact CB-CG2 4.02Å |
| 511 | F | 95.9 | Very high | 94.5 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 9% | 0.094 | C | C | . | . | trans | -123.2 | 167.5 | 174.6 | -57 | -83.4 | 0 | 0 | 0 | 109 | F63 V479 F480 K493 V495 V509 S513 C514 I516 | F63-F511 VanDerWaalsContact CB-O 3.25Å; F63-F511 WeakPolarHBondContact CB-O 3.44Å; V479-F511 HydrophobicContact CB-CZ 4.28Å; V479-F511 HydrophobicContact CG1-CE2 4.15Å; V479-F511 HydrophobicContact CG1-CZ 4.13Å; F480-F511 HydrophobicContact CB-CE1 4.33Å; F480-F511 HydrophobicContact CB-CZ 4.38Å; F480-F511 AromaticContact CD2-CD1 3.62Å; F480-F511 HydrophobicContact CD2-CD1 3.62Å; F480-F511 HydrophobicContact CD2-CD2 4.33Å; F480-F511 AromaticContact CD2-CE1 3.68Å; F480-F511 HydrophobicContact CD2-CE1 3.68Å; F480-F511 HydrophobicContact CD2-CE2 4.38Å; F480-F511 AromaticContact CD2-CG 3.95Å; F480-F511 HydrophobicContact CD2-CG 3.95Å; F480-F511 HydrophobicContact CD2-CZ 4.07Å; F480-F511 HydrophobicContact CE2-CB 4.37Å; F480-F511 HydrophobicContact CE2-CD1 4.07Å; F480-F511 HydrophobicContact CE2-CG 4.14Å; F480-F511 HydrophobicContact CG-CE1 4.49Å; K493-F511 WeakPolarHBondContact O-CD1 3.37Å; K493-F511 VanDerWaalsContact O-CE1 3.24Å; K493-F511 WeakPolarHBondContact O-CE1 3.45Å; V495-F511 HydrophobicContact CG2-CD1 4.49Å; V495-F511 HydrophobicContact CG2-CE1 3.67Å; V495-F511 HydrophobicContact CG2-CZ 4.09Å; V509-F511 HydrophobicContact CB-CE2 4.27Å; V509-F511 HydrophobicContact CG1-CE1 4.48Å; V509-F511 HydrophobicContact CG1-CE2 3.67Å; V509-F511 HydrophobicContact CG1-CZ 3.63Å; F511-S513 PolarHBondContact O-N 3.23Å; F511-S513 VanDerWaalsContact O-N 3.12Å; F511-C514 PolarHBondContact N-O 3.42Å; F511-C514 PolarHBondContact O-N 3.23Å; F511-I516 HydrophobicContact CD2-CD1 4.3Å; F511-I516 HydrophobicContact CD2-CG1 4.18Å; F511-I516 HydrophobicContact CE2-CD1 3.79Å; F511-I516 HydrophobicContact CE2-CG1 3.9Å | ||
| 512 | S | 93 | Very high | 94.6 | Very high | 24 Ų | 24 | 17.3 Ų | 17.3 | 17% | 0.168 | 10% | 0.095 | C | C | . | . | S | Bend | trans | -59.7 | -30.2 | -176.9 | -167.4 | 0 | 0 | 0 | 0 | 113.4 | R60 D62 F63 | R60-S512 PolarHBondContact NH2-OG 3.17Å; D62-S512 VanDerWaalsContact CA-O 3.28Å; D62-S512 WeakPolarHBondContact CA-O 3.23Å; D62-S512 PolarHBondContact N-O 2.93Å; F63-S512 PolarHBondContact N-O 2.96Å |
| 513 | S | 91.6 | Very high | 94.8 | Very high | 2 Ų | 2 | 14.4 Ų | 14.4 | 1% | 0.014 | 8% | 0.08 | C | C | . | . | S | Bend | trans | -109.6 | -7.3 | -176.1 | 64.6 | 0 | 0 | 0 | 0 | 116 | P486 F511 | P486-S513 WeakPolarHBondContact O-CB 3.42Å; P486-S513 PolarHBondContact O-OG 2.99Å; F511-S513 PolarHBondContact O-N 3.23Å; F511-S513 VanDerWaalsContact O-N 3.12Å |
| 514 | C | 93.2 | Very high | 94.9 | Very high | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 9% | 0.085 | C | C | . | . | trans | -161 | 165.6 | -174.9 | 70.5 | 0 | 0 | 0 | 0 | 113 | V47 F48 C485 F511 | V47-C514 HydrophobicContact CG1-CB 3.76Å; F48-C514 VanDerWaalsContact O-CA 3.23Å; F48-C514 WeakPolarHBondContact O-CA 3.37Å; F48-C514 WeakPolarHBondContact O-CB 3.37Å; C485-C514 HydrophobicContact CB-CB 3.81Å; C485-C514 WeakPolarHBondContact CB-SG 3.22Å; C485-C514 WeakPolarHBondContact SG-CB 3.47Å; C485-C514 CovalentContact SG-SG 2.03Å; C485-C514 PolarHBondContact SG-SG 3.23Å; F511-C514 PolarHBondContact N-O 3.42Å; F511-C514 PolarHBondContact O-N 3.23Å | ||
| 515 | V | 95.8 | Very high | 95 | Very high | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 131.1 | 166.5 | -174.1 | 0 | 0 | 0 | 0 | 109.1 | V47 F48 L61 F63 M66 I75 Y508 V509 A510 | V47-V515 CarbonylContact C-O 3.54Å; V47-V515 WeakPolarHBondContact CA-O 3.27Å; F48-V515 HydrophobicContact CB-CB 4.17Å; F48-V515 PolarHBondContact N-O 2.93Å; F48-V515 PolarHBondContact O-N 3.33Å; L61-V515 HydrophobicContact CD2-CG2 4.42Å; F63-V515 HydrophobicContact CD2-CG2 3.97Å; F63-V515 HydrophobicContact CE2-CG2 4.1Å; M66-V515 HydrophobicContact SD-CG1 4.32Å; I75-V515 HydrophobicContact CD1-CB 4.42Å; I75-V515 HydrophobicContact CD1-CG2 4.21Å; I75-V515 HydrophobicContact CG2-CG2 4.09Å; Y508-V515 HydrophobicContact CD1-CG1 4.35Å; V509-V515 CarbonylContact O-C 3.58Å; V509-V515 WeakPolarHBondContact O-CA 3.41Å; A510-V515 HydrophobicContact CB-CG1 4.39Å; A510-V515 HydrophobicContact CB-CG2 4.02Å |
| 516 | I | 95.8 | Very high | 94.9 | Very high | 3 Ų | 3 | 19 Ų | 19 | 2% | 0.015 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 133.6 | -175.8 | -51.7 | -167.1 | 0 | 0 | 0 | 109.5 | V47 V479 N481 Y508 V509 F511 I518 | V47-I516 HydrophobicContact CG1-CG1 4.23Å; V47-I516 HydrophobicContact CG2-CB 4.41Å; V47-I516 HydrophobicContact CG2-CD1 4.1Å; V47-I516 HydrophobicContact CG2-CG1 3.87Å; V47-I516 HydrophobicContact CG2-CG2 4.17Å; V479-I516 HydrophobicContact CG1-CB 4.14Å; V479-I516 HydrophobicContact CG1-CD1 4.11Å; V479-I516 HydrophobicContact CG1-CG2 4.08Å; V479-I516 VanDerWaalsContact O-CD1 3.27Å; V479-I516 WeakPolarHBondContact O-CD1 3.4Å; N481-I516 HydrophobicContact CB-CD1 4.21Å; Y508-I516 CarbonylContact C-O 3.56Å; Y508-I516 WeakPolarHBondContact CA-O 3.32Å; V509-I516 PolarHBondContact N-O 3.05Å; V509-I516 PolarHBondContact O-N 3.15Å; F511-I516 HydrophobicContact CD2-CD1 4.3Å; F511-I516 HydrophobicContact CD2-CG1 4.18Å; F511-I516 HydrophobicContact CE2-CD1 3.79Å; F511-I516 HydrophobicContact CE2-CG1 3.9Å; I516-I518 HydrophobicContact CG2-CG2 3.95Å |
| 517 | R | 95.8 | Very high | 94.7 | Very high | 32 Ų | 32 | 22.1 Ų | 22.1 | 12% | 0.121 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 114.7 | 174.9 | -178.9 | -170.1 | -179.4 | 169 | 10.6 | 109.9 | Y45 P46 E88 I94 T504 S506 Y508 | Y45-R517 WeakPolarHBondContact CB-O 3.13Å; P46-R517 PolarHBondContact O-N 3.5Å; E88-R517 PolarHBondContact O-NH1 3.39Å; I94-R517 HydrophobicContact CD1-CB 3.77Å; T504-R517 PolarHBondContact OG1-NH2 3Å; S506-R517 PolarHBondContact OG-NE 2.71Å; S506-R517 PolarHBondContact OG-NH2 2.76Å; S506-R517 VanDerWaalsContact OG-NH2 3.14Å; Y508-R517 HydrophobicContact CD1-CB 4.2Å; Y508-R517 HydrophobicContact CD1-CG 4.48Å; Y508-R517 HydrophobicContact CE1-CB 3.98Å; Y508-R517 HydrophobicContact CE1-CG 4Å; Y508-R517 HydrophobicContact CE2-CG 4.29Å |
| 518 | I | 95.5 | Very high | 94.5 | Very high | 2 Ų | 2 | 26.4 Ų | 26.4 | 1% | 0.01 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 152.7 | 173.9 | 76.5 | 174 | 0 | 0 | 0 | 109.8 | Y45 I477 V479 S506 L507 V509 I516 | Y45-I518 HydrophobicContact CD2-CB 4.06Å; Y45-I518 HydrophobicContact CD2-CG2 3.4Å; Y45-I518 VanDerWaalsContact CD2-CG2 3.4Å; Y45-I518 HydrophobicContact CE2-CB 4.02Å; Y45-I518 HydrophobicContact CE2-CG2 3.77Å; Y45-I518 HydrophobicContact CG-CB 4.42Å; Y45-I518 HydrophobicContact CG-CG2 3.91Å; I477-I518 HydrophobicContact CD1-CD1 4.31Å; I477-I518 HydrophobicContact CG2-CD1 4.44Å; V479-I518 HydrophobicContact CG1-CG2 4.19Å; V479-I518 HydrophobicContact CG2-CD1 4.12Å; S506-I518 CarbonylContact C-O 3.57Å; S506-I518 WeakPolarHBondContact CA-O 3.32Å; L507-I518 HydrophobicContact CB-CG1 3.91Å; L507-I518 HydrophobicContact CD2-CD1 4.05Å; L507-I518 HydrophobicContact CD2-CG1 4.21Å; L507-I518 HydrophobicContact CG-CG1 4.48Å; L507-I518 PolarHBondContact N-O 3.47Å; L507-I518 PolarHBondContact O-N 3.03Å; V509-I518 HydrophobicContact CG2-CD1 4.33Å; V509-I518 HydrophobicContact CG2-CG1 4.42Å; I516-I518 HydrophobicContact CG2-CG2 3.95Å |
| 519 | P | 95.3 | Very high | 94.3 | Very high | 38 Ų | 38 | 27.2 Ų | 27.2 | 25% | 0.247 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 156.7 | 175.4 | 31 | -34.5 | 0 | 0 | 0 | 111.3 | Y45 H505 S521 R522 | Y45-P519 VanDerWaalsContact CE1-CD 3.42Å; Y45-P519 HydrophobicContact CE1-CG 4.14Å; H505-P519 WeakPolarHBondContact O-CA 3.49Å; P519-S521 VanDerWaalsContact C-N 3.32Å; P519-S521 WeakPolarHBondContact CB-O 3.48Å; P519-S521 WeakPolarHBondContact CG-O 3.33Å; P519-S521 PolarHBondContact O-N 3.18Å; P519-R522 HydrophobicContact CG-CG 4.39Å; P519-R522 PolarHBondContact O-NH1 3.11Å |
| 520 | L | 96 | Very high | 94.1 | Very high | 1 Ų | 1 | 30 Ų | 30 | 1% | 0.005 | 16% | 0.162 | C | C | . | . | S | Bend | trans | -68.3 | -30.5 | 177.6 | -61.7 | 173 | 0 | 0 | 0 | 112.8 | F448 K458 V500 H505 L507 R522 Y540 | F448-L520 HydrophobicContact CE1-CD2 4.36Å; F448-L520 HydrophobicContact CE2-CD2 3.73Å; F448-L520 HydrophobicContact CZ-CB 4.16Å; F448-L520 HydrophobicContact CZ-CD2 3.6Å; F448-L520 HydrophobicContact CZ-CG 4.45Å; K458-L520 PolarHBondContact NZ-O 2.89Å; V500-L520 HydrophobicContact CG1-CD1 4.23Å; V500-L520 HydrophobicContact CG1-CD2 4.03Å; V500-L520 HydrophobicContact CG2-CD2 4.11Å; H505-L520 PolarHBondContact O-N 2.94Å; H505-L520 VanDerWaalsContact O-N 3.08Å; L507-L520 HydrophobicContact CB-CD2 3.96Å; L520-R522 PolarHBondContact O-NH2 3.48Å; L520-Y540 HydrophobicContact CB-CD2 4.43Å; L520-Y540 HydrophobicContact CB-CE2 4.1Å; L520-Y540 HydrophobicContact CD1-CE1 4.46Å |
| 521 | S | 95.4 | Very high | 94 | Very high | 8 Ų | 8 | 32.4 Ų | 32.4 | 6% | 0.056 | 17% | 0.172 | C | C | . | . | trans | -133.4 | 168.8 | 172.9 | 69 | 0 | 0 | 0 | 0 | 113.1 | H505 P519 C523 D538 | H505-S521 PolarHBondContact CE1-OG 3.29Å; P519-S521 VanDerWaalsContact C-N 3.32Å; P519-S521 WeakPolarHBondContact CB-O 3.48Å; P519-S521 WeakPolarHBondContact CG-O 3.33Å; P519-S521 PolarHBondContact O-N 3.18Å; S521-C523 PolarHBondContact OG-SG 2.9Å; S521-D538 WeakPolarHBondContact CB-OD2 3.24Å | ||
| 522 | R | 94.8 | Very high | 93.9 | Very high | 9 Ų | 9 | 34.5 Ų | 34.5 | 3% | 0.034 | 19% | 0.187 | C | C | . | . | trans | -129.6 | 34.4 | -176.9 | -83.4 | 149.3 | -72.6 | -66.9 | -12.4 | 112.1 | F41 Y45 E475 P519 L520 E524 R525 | F41-R522 HydrophobicContact CE1-CG 4.32Å; Y45-R522 WeakPolarHBondContact OH-CD 3.45Å; E475-R522 IonicContact OE1-CZ 3.3Å; E475-R522 IonicContact OE1-NE 3.79Å; E475-R522 IonicContact OE1-NH2 3.06Å; E475-R522 PolarHBondContact OE1-NH2 3.44Å; E475-R522 IonicContact OE2-CZ 3.3Å; E475-R522 IonicContact OE2-NE 2.76Å; E475-R522 PolarHBondContact OE2-NE 3.49Å; E475-R522 IonicContact OE2-NH2 2.81Å; E475-R522 PolarHBondContact OE2-NH2 2.86Å; P519-R522 HydrophobicContact CG-CG 4.39Å; P519-R522 PolarHBondContact O-NH1 3.11Å; L520-R522 PolarHBondContact O-NH2 3.48Å; R522-E524 PolarHBondContact O-N 2.78Å; R522-R525 HydrophobicContact CB-CB 4.42Å; R522-R525 WeakPolarHBondContact O-CB 3.41Å; R522-R525 PolarHBondContact O-N 2.75Å | ||
| 523 | C | 95.1 | Very high | 94 | Very high | 4 Ų | 4 | 33.5 Ų | 33.5 | 3% | 0.027 | 18% | 0.18 | C | C | . | . | G | 310 helix | trans | -46.6 | -40.9 | -173.5 | -40.6 | 0 | 0 | 0 | 0 | 113.9 | S521 R525 H526 C541 C549 | S521-C523 PolarHBondContact OG-SG 2.9Å; C523-R525 PolarHBondContact O-N 3.04Å; C523-R525 VanDerWaalsContact O-N 3.1Å; C523-H526 PolarHBondContact O-CD2 3Å; C523-H526 VanDerWaalsContact O-CD2 3.29Å; C523-H526 PolarHBondContact O-N 3.41Å; C523-C541 WeakPolarHBondContact CA-SG 3.44Å; C523-C541 HydrophobicContact CB-CB 3.72Å; C523-C541 WeakPolarHBondContact CB-SG 3.3Å; C523-C541 WeakPolarHBondContact SG-CA 3.39Å; C523-C541 WeakPolarHBondContact SG-CB 3.4Å; C523-C541 CovalentContact SG-SG 2.03Å; C523-C541 PolarHBondContact SG-SG 3.12Å; C523-C549 WeakPolarHBondContact O-CB 3.48Å |
| 524 | E | 92.4 | Very high | 94.2 | Very high | 155 Ų | 155 | 33.8 Ų | 33.8 | 72% | 0.724 | 18% | 0.181 | S | C | * | . | G | 310 helix | trans | -54.4 | -25.6 | 176.4 | -61.2 | 158.7 | -177 | 0 | 0 | 113.8 | R522 H526 S527 | R522-E524 PolarHBondContact O-N 2.78Å; E524-H526 VanDerWaalsContact C-N 3.29Å; E524-H526 PolarHBondContact O-N 3.48Å; E524-S527 PolarHBondContact O-N 3.1Å; E524-S527 VanDerWaalsContact O-N 3.11Å |
| 525 | R | 91.8 | Very high | 94.2 | Very high | 91 Ų | 91 | 35.8 Ų | 35.8 | 34% | 0.343 | 20% | 0.198 | S | C | . | . | G | 310 helix | trans | -63.2 | -33.1 | 175.3 | -173.7 | -177.6 | -177.5 | 178.7 | 0.9 | 112.1 | D35 V36 R522 C523 S527 | D35-R525 IonicContact OD1-CZ 2.69Å; D35-R525 VanDerWaalsContact OD1-CZ 3.23Å; D35-R525 IonicContact OD1-NH1 2.75Å; D35-R525 PolarHBondContact OD1-NH1 2.68Å; D35-R525 IonicContact OD1-NH2 2.68Å; D35-R525 PolarHBondContact OD1-NH2 3.17Å; D35-R525 IonicContact OD2-CZ 3.92Å; D35-R525 IonicContact OD2-NE 3.92Å; D35-R525 IonicContact OD2-NH1 2.87Å; D35-R525 PolarHBondContact OD2-NH1 2.86Å; V36-R525 PolarHBondContact O-NH1 2.85Å; V36-R525 PolarHBondContact O-NH2 2.92Å; R522-R525 HydrophobicContact CB-CB 4.42Å; R522-R525 WeakPolarHBondContact O-CB 3.41Å; R522-R525 PolarHBondContact O-N 2.75Å; C523-R525 PolarHBondContact O-N 3.04Å; C523-R525 VanDerWaalsContact O-N 3.1Å; R525-S527 PolarHBondContact O-N 2.79Å |
| 526 | H | 91.8 | Very high | 94.1 | Very high | 22 Ų | 22 | 36.5 Ų | 36.5 | 10% | 0.102 | 20% | 0.203 | C | C | . | . | G | 310 helix | trans | -77.4 | -14.3 | 176.5 | -47.9 | -67.5 | 0 | 0 | 0 | 112.3 | C523 E524 S528 C529 S532 C533 C549 | C523-H526 PolarHBondContact O-CD2 3Å; C523-H526 VanDerWaalsContact O-CD2 3.29Å; C523-H526 PolarHBondContact O-N 3.41Å; E524-H526 VanDerWaalsContact C-N 3.29Å; E524-H526 PolarHBondContact O-N 3.48Å; H526-S528 PolarHBondContact O-N 2.82Å; H526-C529 PolarHBondContact O-N 2.9Å; H526-S532 PolarHBondContact ND1-O 2.94Å; H526-S532 PolarHBondContact ND1-OG 2.8Å; H526-C533 HydrophobicContact CB-CB 4.25Å; H526-C549 HydrophobicContact CB-CB 3.8Å |
| 527 | S | 90.6 | Very high | 94.1 | Very high | 73 Ų | 73 | 38.1 Ų | 38.1 | 51% | 0.51 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 48.6 | -124.1 | 173.3 | -171.6 | 0 | 0 | 0 | 0 | 111.8 | E524 R525 C549 | E524-S527 PolarHBondContact O-N 3.1Å; E524-S527 VanDerWaalsContact O-N 3.11Å; R525-S527 PolarHBondContact O-N 2.79Å; S527-C549 PolarHBondContact O-N 2.77Å |
| 528 | S | 92.2 | Very high | 94.1 | Very high | 89 Ų | 89 | 36.9 Ų | 36.9 | 62% | 0.622 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90.1 | 16.9 | 177.4 | 56.4 | 0 | 0 | 0 | 0 | 115 | H526 W543 G547 | H526-S528 PolarHBondContact O-N 2.82Å; S528-W543 VanDerWaalsContact O-CH2 3.27Å; S528-W543 WeakPolarHBondContact O-CH2 3.41Å; S528-G547 WeakPolarHBondContact CA-O 3.33Å; S528-G547 WeakPolarHBondContact CB-O 3.45Å |
| 529 | C | 93.8 | Very high | 94 | Very high | 19 Ų | 19 | 36.8 Ų | 36.8 | 13% | 0.128 | 20% | 0.204 | C | C | . | . | trans | -99.1 | 100.2 | 172.8 | -168.6 | 0 | 0 | 0 | 0 | 113.1 | H526 K531 S532 C533 C575 | H526-C529 PolarHBondContact O-N 2.9Å; C529-K531 VanDerWaalsContact C-N 3.29Å; C529-K531 PolarHBondContact O-N 3.11Å; C529-S532 PolarHBondContact O-N 3.18Å; C529-C533 PolarHBondContact O-N 3.26Å; C529-C575 HydrophobicContact CB-CB 3.82Å; C529-C575 WeakPolarHBondContact CB-SG 3.41Å; C529-C575 WeakPolarHBondContact SG-CA 3.42Å; C529-C575 WeakPolarHBondContact SG-CB 3.24Å; C529-C575 CovalentContact SG-SG 2.03Å; C529-C575 PolarHBondContact SG-SG 3.27Å | ||
| 530 | Q | 93.9 | Very high | 94.1 | Very high | 58 Ų | 58 | 35.5 Ų | 35.5 | 27% | 0.271 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -51.9 | -45.5 | 172.9 | -169 | 169.4 | 5.9 | 0 | 0 | 112.2 | S532 C533 I534 W543 E561 L572 | Q530-S532 PolarHBondContact O-N 2.7Å; Q530-C533 WeakPolarHBondContact O-CB 3.5Å; Q530-C533 PolarHBondContact O-N 3.08Å; Q530-I534 HydrophobicContact CG-CG1 4.48Å; Q530-I534 WeakPolarHBondContact O-CG1 3.04Å; Q530-I534 PolarHBondContact O-N 2.91Å; Q530-W543 HydrophobicContact CB-CD2 3.74Å; Q530-W543 HydrophobicContact CB-CE3 4.05Å; Q530-W543 HydrophobicContact CB-CG 4.24Å; Q530-W543 HydrophobicContact CB-CH2 4.02Å; Q530-W543 HydrophobicContact CB-CZ2 3.69Å; Q530-W543 HydrophobicContact CB-CZ3 4.19Å; Q530-W543 VanDerWaalsContact CD-CD1 3.49Å; Q530-W543 HydrophobicContact CG-CB 4.41Å; Q530-W543 HydrophobicContact CG-CD2 3.73Å; Q530-W543 HydrophobicContact CG-CE3 4.45Å; Q530-W543 HydrophobicContact CG-CG 3.68Å; Q530-W543 HydrophobicContact CG-CZ2 4.25Å; Q530-E561 PolarHBondContact NE2-OE2 3.44Å; Q530-L572 VanDerWaalsContact CD-CD2 3.42Å; Q530-L572 HydrophobicContact CG-CD1 3.91Å; Q530-L572 HydrophobicContact CG-CD2 3.79Å; Q530-L572 HydrophobicContact CG-CG 4.47Å |
| 531 | K | 94.1 | Very high | 94.1 | Very high | 51 Ų | 51 | 35.6 Ų | 35.6 | 22% | 0.222 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -58.6 | -45.8 | 179.4 | -174.6 | 165.3 | -165.5 | 169.5 | 0 | 112.8 | C529 A535 T569 L572 G573 D574 | C529-K531 VanDerWaalsContact C-N 3.29Å; C529-K531 PolarHBondContact O-N 3.11Å; K531-A535 WeakPolarHBondContact O-CB 3.32Å; K531-A535 PolarHBondContact O-N 3.08Å; K531-T569 HydrophobicContact CG-CG2 3.88Å; K531-T569 WeakPolarHBondContact O-CG2 3.37Å; K531-L572 HydrophobicContact CB-CB 4.14Å; K531-L572 HydrophobicContact CG-CB 4.49Å; K531-G573 WeakPolarHBondContact CB-O 3.24Å; K531-G573 WeakPolarHBondContact CD-O 3.35Å; K531-D574 WeakPolarHBondContact CD-OD1 3.41Å; K531-D574 WeakPolarHBondContact CE-OD1 3.34Å; K531-D574 IonicContact NZ-OD1 3.67Å; K531-D574 PolarHBondContact NZ-OD1 3.39Å; K531-D574 IonicContact NZ-OD2 3.6Å |
| 532 | S | 93.9 | Very high | 94 | Very high | 43 Ų | 43 | 35.3 Ų | 35.3 | 30% | 0.301 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -69.3 | -37 | 176.7 | -170.6 | 0 | 0 | 0 | 0 | 111.9 | H526 C529 Q530 A535 S536 | H526-S532 PolarHBondContact ND1-O 2.94Å; H526-S532 PolarHBondContact ND1-OG 2.8Å; C529-S532 PolarHBondContact O-N 3.18Å; Q530-S532 PolarHBondContact O-N 2.7Å; S532-A535 PolarHBondContact O-N 2.8Å; S532-S536 PolarHBondContact O-N 3.2Å |
| 533 | C | 95.4 | Very high | 94.1 | Very high | 4 Ų | 4 | 36.2 Ų | 36.2 | 3% | 0.027 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -59.6 | -49.6 | 176.1 | -166 | 0 | 0 | 0 | 0 | 112.2 | H526 C529 Q530 S536 G542 W543 C549 | H526-C533 HydrophobicContact CB-CB 4.25Å; C529-C533 PolarHBondContact O-N 3.26Å; Q530-C533 WeakPolarHBondContact O-CB 3.5Å; Q530-C533 PolarHBondContact O-N 3.08Å; C533-S536 WeakPolarHBondContact O-CB 3.48Å; C533-S536 PolarHBondContact O-N 3.32Å; C533-S536 PolarHBondContact O-OG 2.69Å; C533-G542 VanDerWaalsContact SG-C 3.58Å; C533-W543 HydrophobicContact CB-CE3 4.18Å; C533-W543 PolarHBondContact SG-N 2.82Å; C533-C549 VanDerWaalsContact CA-SG 3.56Å; C533-C549 HydrophobicContact CB-CB 3.54Å; C533-C549 WeakPolarHBondContact CB-SG 3.43Å; C533-C549 VanDerWaalsContact SG-CA 3.55Å; C533-C549 WeakPolarHBondContact SG-CB 3.46Å; C533-C549 CovalentContact SG-SG 2.03Å; C533-C549 PolarHBondContact SG-SG 3.3Å |
| 534 | I | 94.8 | Very high | 94 | Very high | 7 Ų | 7 | 38.3 Ų | 38.3 | 4% | 0.036 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -72.5 | -39.5 | 179.7 | -59.2 | -57.3 | 0 | 0 | 0 | 111.3 | Q530 S536 R537 W543 E561 D563 T569 L572 | Q530-I534 HydrophobicContact CG-CG1 4.48Å; Q530-I534 WeakPolarHBondContact O-CG1 3.04Å; Q530-I534 PolarHBondContact O-N 2.91Å; I534-S536 PolarHBondContact O-N 3.34Å; I534-R537 PolarHBondContact O-N 3.49Å; I534-W543 HydrophobicContact CD1-CB 4.27Å; I534-E561 HydrophobicContact CD1-CG 4.01Å; I534-D563 HydrophobicContact CG2-CB 3.99Å; I534-T569 HydrophobicContact CB-CG2 4.15Å; I534-T569 HydrophobicContact CG2-CG2 4.17Å; I534-L572 HydrophobicContact CB-CD1 4.18Å; I534-L572 HydrophobicContact CG1-CD1 3.97Å |
| 535 | A | 93.9 | Very high | 94 | Very high | 43 Ų | 43 | 36.5 Ų | 36.5 | 36% | 0.355 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -63.7 | -21.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | K531 S532 R537 T569 | K531-A535 WeakPolarHBondContact O-CB 3.32Å; K531-A535 PolarHBondContact O-N 3.08Å; S532-A535 PolarHBondContact O-N 2.8Å; A535-R537 PolarHBondContact O-N 3.12Å; A535-T569 HydrophobicContact CB-CG2 4.06Å |
| 536 | S | 94.3 | Very high | 94 | Very high | 15 Ų | 15 | 38 Ų | 38 | 11% | 0.105 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -28.8 | 176 | 76.2 | 0 | 0 | 0 | 0 | 113.2 | S532 C533 I534 D538 | S532-S536 PolarHBondContact O-N 3.2Å; C533-S536 WeakPolarHBondContact O-CB 3.48Å; C533-S536 PolarHBondContact O-N 3.32Å; C533-S536 PolarHBondContact O-OG 2.69Å; I534-S536 PolarHBondContact O-N 3.34Å; S536-D538 PolarHBondContact O-N 3.14Å; S536-D538 PolarHBondContact OG-N 2.81Å |
| 537 | R | 94.6 | Very high | 94 | Very high | 36 Ų | 36 | 38.3 Ų | 38.3 | 14% | 0.136 | 23% | 0.227 | C | C | . | . | trans | 50.5 | 20.3 | -173.1 | -59.3 | 179.4 | 64.2 | 162.6 | -1.8 | 113.9 | L34 L474 I534 A535 P539 V564 E565 | L34-R537 HydrophobicContact CD1-CB 4.11Å; L34-R537 HydrophobicContact CD1-CG 4.31Å; L474-R537 HydrophobicContact CD2-CB 4.27Å; I534-R537 PolarHBondContact O-N 3.49Å; A535-R537 PolarHBondContact O-N 3.12Å; R537-P539 WeakPolarHBondContact O-CD 3.47Å; R537-V564 VanDerWaalsContact CZ-O 3.27Å; R537-V564 PolarHBondContact NE-O 3.45Å; R537-V564 PolarHBondContact NH2-O 3.5Å; R537-E565 PolarHBondContact NH2-O 2.92Å | ||
| 538 | D | 95.8 | Very high | 94.2 | Very high | 6 Ų | 6 | 36 Ų | 36 | 3% | 0.032 | 21% | 0.212 | C | C | . | . | trans | -77.8 | 119 | -173.8 | -173.3 | 6.7 | 0 | 0 | 0 | 111.2 | K458 S521 S536 Y540 C541 Q562 | K458-D538 WeakPolarHBondContact CE-OD1 3.39Å; K458-D538 IonicContact NZ-OD1 3.42Å; K458-D538 PolarHBondContact NZ-OD1 3.18Å; K458-D538 IonicContact NZ-OD2 2.71Å; K458-D538 PolarHBondContact NZ-OD2 2.68Å; S521-D538 WeakPolarHBondContact CB-OD2 3.24Å; S536-D538 PolarHBondContact O-N 3.14Å; S536-D538 PolarHBondContact OG-N 2.81Å; D538-Y540 PolarHBondContact O-N 3.09Å; D538-Y540 VanDerWaalsContact OD1-CD2 3.24Å; D538-Y540 WeakPolarHBondContact OD1-CD2 3.36Å; D538-C541 HydrophobicContact CB-CB 4.13Å; D538-C541 PolarHBondContact O-N 3.18Å; D538-C541 PolarHBondContact OD2-SG 2.61Å; D538-C541 VanDerWaalsContact OD2-SG 3.34Å; D538-Q562 PolarHBondContact O-NE2 2.92Å | ||
| 539 | P | 94.7 | Very high | 94.4 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.5 | -27.4 | -178.5 | -30.1 | 37.2 | 0 | 0 | 0 | 114.8 | A438 G439 Y444 V446 L460 R537 Q562 V564 | A438-P539 HydrophobicContact CB-CB 4.23Å; G439-P539 WeakPolarHBondContact CA-O 3.34Å; Y444-P539 HydrophobicContact CD2-CB 3.87Å; Y444-P539 HydrophobicContact CD2-CG 4.18Å; Y444-P539 HydrophobicContact CG-CB 4.14Å; Y444-P539 HydrophobicContact CG-CG 4.02Å; V446-P539 HydrophobicContact CG2-CB 4.42Å; V446-P539 HydrophobicContact CG2-CG 3.82Å; L460-P539 HydrophobicContact CD1-CG 3.73Å; R537-P539 WeakPolarHBondContact O-CD 3.47Å; P539-Q562 PolarHBondContact O-NE2 2.78Å; P539-V564 HydrophobicContact CG-CG1 4.21Å |
| 540 | Y | 95.9 | Very high | 94.4 | Very high | 12 Ų | 12 | 34 Ų | 34 | 5% | 0.047 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.1 | -9.6 | -179.8 | -48.9 | -75.1 | 0 | 0 | 0 | 114.3 | D435 A438 V446 F448 H505 L520 D538 R551 I552 | D435-Y540 WeakPolarHBondContact CB-OH 3.47Å; D435-Y540 PolarHBondContact OD2-OH 3.09Å; A438-Y540 HydrophobicContact CB-CE1 3.83Å; V446-Y540 HydrophobicContact CB-CE2 4.4Å; V446-Y540 HydrophobicContact CG1-CE2 4.24Å; V446-Y540 HydrophobicContact CG2-CE2 4.17Å; F448-Y540 HydrophobicContact CZ-CE2 4.37Å; H505-Y540 AromaticContact NE2-CD1 3.78Å; H505-Y540 AromaticContact NE2-CG 3.75Å; L520-Y540 HydrophobicContact CB-CD2 4.43Å; L520-Y540 HydrophobicContact CB-CE2 4.1Å; L520-Y540 HydrophobicContact CD1-CE1 4.46Å; D538-Y540 PolarHBondContact O-N 3.09Å; D538-Y540 VanDerWaalsContact OD1-CD2 3.24Å; D538-Y540 WeakPolarHBondContact OD1-CD2 3.36Å; Y540-R551 WeakPolarHBondContact O-CA 3.35Å; Y540-I552 PolarHBondContact O-N 3.23Å |
| 541 | C | 96 | Very high | 94.4 | Very high | 3 Ų | 3 | 35.4 Ų | 35.4 | 2% | 0.02 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 142.6 | -171.3 | -62.1 | 0 | 0 | 0 | 0 | 113.1 | C523 D538 Q562 | C523-C541 WeakPolarHBondContact CA-SG 3.44Å; C523-C541 HydrophobicContact CB-CB 3.72Å; C523-C541 WeakPolarHBondContact CB-SG 3.3Å; C523-C541 WeakPolarHBondContact SG-CA 3.39Å; C523-C541 WeakPolarHBondContact SG-CB 3.4Å; C523-C541 CovalentContact SG-SG 2.03Å; C523-C541 PolarHBondContact SG-SG 3.12Å; D538-C541 HydrophobicContact CB-CB 4.13Å; D538-C541 PolarHBondContact O-N 3.18Å; D538-C541 PolarHBondContact OD2-SG 2.61Å; D538-C541 VanDerWaalsContact OD2-SG 3.34Å; C541-Q562 VanDerWaalsContact O-CD 3.31Å; C541-Q562 WeakPolarHBondContact O-CG 3.41Å; C541-Q562 PolarHBondContact O-NE2 2.79Å |
| 542 | G | 95.3 | Very high | 94.4 | Very high | 1 Ų | 1 | 33.4 Ų | 33.4 | 1% | 0.01 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | 149.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112 | C533 E550 E561 | C533-G542 VanDerWaalsContact SG-C 3.58Å; G542-E550 PolarHBondContact N-O 3.31Å; G542-E550 PolarHBondContact O-N 3.35Å; G542-E561 CarbonylContact C-O 3.54Å; G542-E561 WeakPolarHBondContact CA-O 3.24Å |
| 543 | W | 95.8 | Very high | 94.2 | Very high | 28 Ų | 28 | 37.8 Ų | 37.8 | 11% | 0.106 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 133.6 | 173.2 | -179.6 | -112.5 | 0 | 0 | 0 | 110 | S528 Q530 C533 I534 G547 A548 C549 Y560 E561 | S528-W543 VanDerWaalsContact O-CH2 3.27Å; S528-W543 WeakPolarHBondContact O-CH2 3.41Å; Q530-W543 HydrophobicContact CB-CD2 3.74Å; Q530-W543 HydrophobicContact CB-CE3 4.05Å; Q530-W543 HydrophobicContact CB-CG 4.24Å; Q530-W543 HydrophobicContact CB-CH2 4.02Å; Q530-W543 HydrophobicContact CB-CZ2 3.69Å; Q530-W543 HydrophobicContact CB-CZ3 4.19Å; Q530-W543 VanDerWaalsContact CD-CD1 3.49Å; Q530-W543 HydrophobicContact CG-CB 4.41Å; Q530-W543 HydrophobicContact CG-CD2 3.73Å; Q530-W543 HydrophobicContact CG-CE3 4.45Å; Q530-W543 HydrophobicContact CG-CG 3.68Å; Q530-W543 HydrophobicContact CG-CZ2 4.25Å; C533-W543 HydrophobicContact CB-CE3 4.18Å; C533-W543 PolarHBondContact SG-N 2.82Å; I534-W543 HydrophobicContact CD1-CB 4.27Å; W543-G547 WeakPolarHBondContact CH2-O 3.48Å; W543-G547 VanDerWaalsContact CZ2-CA 3.48Å; W543-A548 VanDerWaalsContact CZ3-C 3.45Å; W543-C549 HydrophobicContact CE3-CB 4.23Å; W543-Y560 CarbonylContact O-C 3.55Å; W543-Y560 WeakPolarHBondContact O-CA 3.06Å; W543-E561 HydrophobicContact CB-CB 4.33Å; W543-E561 PolarHBondContact N-O 3.44Å; W543-E561 PolarHBondContact O-N 3.31Å |
| 544 | K | 94.1 | Very high | 93.8 | Very high | 48 Ų | 48 | 41.1 Ų | 41.1 | 21% | 0.209 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 150 | -179.7 | -69.1 | -174.7 | -176 | 169.9 | 0 | 112.3 | H546 G547 A548 E550 | K544-H546 PolarHBondContact O-N 3.47Å; K544-G547 PolarHBondContact O-N 3.19Å; K544-A548 PolarHBondContact N-O 3.41Å; K544-E550 HydrophobicContact CD-CB 3.95Å; K544-E550 HydrophobicContact CD-CG 4.35Å; K544-E550 WeakPolarHBondContact CD-OE2 3.33Å; K544-E550 WeakPolarHBondContact CE-OE2 3.2Å; K544-E550 HydrophobicContact CG-CB 4.48Å; K544-E550 IonicContact NZ-OE2 3.16Å; K544-E550 PolarHBondContact NZ-OE2 3.21Å |
| 545 | P | 91.6 | Very high | 93.4 | Very high | 117 Ų | 117 | 43.4 Ų | 43.4 | 76% | 0.76 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.2 | -20.4 | -176.2 | -28.3 | 35.6 | 0 | 0 | 0 | 116.2 | G547 G559 | P545-G547 PolarHBondContact O-N 2.84Å; P545-G559 VanDerWaalsContact CD-O 3.31Å; P545-G559 WeakPolarHBondContact CD-O 3.49Å |
| 546 | H | 91.5 | Very high | 93.2 | Very high | 123 Ų | 123 | 44.4 Ų | 44.4 | 57% | 0.569 | 25% | 0.25 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.7 | 10 | 175.5 | 62 | -99.5 | 0 | 0 | 0 | 114.5 | K544 E550 | K544-H546 PolarHBondContact O-N 3.47Å; H546-E550 IonicContact CD2-OE1 2.69Å; H546-E550 IonicContact CE1-OE1 2.75Å; H546-E550 PolarHBondContact CE1-OE1 3.46Å; H546-E550 VanDerWaalsContact CE1-OE1 3.28Å; H546-E550 IonicContact NE2-OE1 3.49Å; H546-E550 PolarHBondContact NE2-OE1 3.14Å |
| 547 | G | 91.6 | Very high | 92.8 | Very high | 29 Ų | 29 | 48.6 Ų | 48.6 | 30% | 0.299 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 87.2 | 32 | 169.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | S528 W543 K544 P545 | S528-G547 WeakPolarHBondContact CA-O 3.33Å; S528-G547 WeakPolarHBondContact CB-O 3.45Å; W543-G547 WeakPolarHBondContact CH2-O 3.48Å; W543-G547 VanDerWaalsContact CZ2-CA 3.48Å; K544-G547 PolarHBondContact O-N 3.19Å; P545-G547 PolarHBondContact O-N 2.84Å |
| 548 | A | 94.8 | Very high | 92.6 | Very high | 24 Ų | 24 | 55.5 Ų | 55.5 | 20% | 0.198 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 146.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | W543 K544 E550 | W543-A548 VanDerWaalsContact CZ3-C 3.45Å; K544-A548 PolarHBondContact N-O 3.41Å; A548-E550 HydrophobicContact CB-CG 4.45Å |
| 549 | C | 96.1 | Very high | 92.3 | Very high | 3 Ų | 3 | 57.7 Ų | 57.7 | 2% | 0.02 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 120.4 | 169.1 | -164.8 | 0 | 0 | 0 | 0 | 110.4 | C523 H526 S527 C533 W543 | C523-C549 WeakPolarHBondContact O-CB 3.48Å; H526-C549 HydrophobicContact CB-CB 3.8Å; S527-C549 PolarHBondContact O-N 2.77Å; C533-C549 VanDerWaalsContact CA-SG 3.56Å; C533-C549 HydrophobicContact CB-CB 3.54Å; C533-C549 WeakPolarHBondContact CB-SG 3.43Å; C533-C549 VanDerWaalsContact SG-CA 3.55Å; C533-C549 WeakPolarHBondContact SG-CB 3.46Å; C533-C549 CovalentContact SG-SG 2.03Å; C533-C549 PolarHBondContact SG-SG 3.3Å; W543-C549 HydrophobicContact CE3-CB 4.23Å |
| 550 | E | 95.2 | Very high | 92.3 | Very high | 64 Ų | 64 | 59.9 Ų | 59.9 | 30% | 0.299 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 162.4 | -174.4 | -76.6 | -176.1 | -151.8 | 0 | 0 | 112.2 | G542 K544 H546 A548 I552 | G542-E550 PolarHBondContact N-O 3.31Å; G542-E550 PolarHBondContact O-N 3.35Å; K544-E550 HydrophobicContact CD-CB 3.95Å; K544-E550 HydrophobicContact CD-CG 4.35Å; K544-E550 WeakPolarHBondContact CD-OE2 3.33Å; K544-E550 WeakPolarHBondContact CE-OE2 3.2Å; K544-E550 HydrophobicContact CG-CB 4.48Å; K544-E550 IonicContact NZ-OE2 3.16Å; K544-E550 PolarHBondContact NZ-OE2 3.21Å; H546-E550 IonicContact CD2-OE1 2.69Å; H546-E550 IonicContact CE1-OE1 2.75Å; H546-E550 PolarHBondContact CE1-OE1 3.46Å; H546-E550 VanDerWaalsContact CE1-OE1 3.28Å; H546-E550 IonicContact NE2-OE1 3.49Å; H546-E550 PolarHBondContact NE2-OE1 3.14Å; A548-E550 HydrophobicContact CB-CG 4.45Å; E550-I552 PolarHBondContact O-N 3.18Å |
| 551 | R | 94.3 | Very high | 92.2 | Very high | 87 Ų | 87 | 62.8 Ų | 62.8 | 33% | 0.328 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.5 | 132.1 | 169.4 | -177.4 | -169.8 | 168.8 | -158.9 | -2.4 | 110.1 | H505 Y540 | H505-R551 PolarHBondContact CD2-NE 3.14Å; H505-R551 PolarHBondContact CD2-NH2 3.02Å; H505-R551 PolarHBondContact NE2-NE 3.19Å; Y540-R551 WeakPolarHBondContact O-CA 3.35Å |
| 552 | I | 92.9 | Very high | 92 | Very high | 9 Ų | 9 | 64.9 Ų | 64.9 | 5% | 0.046 | 36% | 0.358 | C | S | . | . | P | Polyproline II helix | trans | -87.1 | 137.5 | 168.3 | -43.6 | 162.3 | 0 | 0 | 0 | 108.4 | P440 Y540 E550 V556 Y560 Q562 | P440-I552 HydrophobicContact CB-CG2 3.93Å; P440-I552 HydrophobicContact CG-CB 4.02Å; P440-I552 HydrophobicContact CG-CD1 3.55Å; P440-I552 HydrophobicContact CG-CG1 4.4Å; P440-I552 HydrophobicContact CG-CG2 3.67Å; Y540-I552 PolarHBondContact O-N 3.23Å; E550-I552 PolarHBondContact O-N 3.18Å; I552-V556 HydrophobicContact CG2-CB 4.21Å; I552-Y560 HydrophobicContact CD1-CD2 3.47Å; I552-Y560 VanDerWaalsContact CD1-CD2 3.47Å; I552-Y560 HydrophobicContact CD1-CE2 3.71Å; I552-Y560 HydrophobicContact CD1-CG 3.92Å; I552-Y560 HydrophobicContact CG1-CD2 4.17Å; I552-Y560 HydrophobicContact CG1-CG 4.1Å; I552-Y560 HydrophobicContact CG2-CD1 3.86Å; I552-Y560 HydrophobicContact CG2-CE1 3.9Å; I552-Y560 HydrophobicContact CG2-CG 4.28Å; I552-Q562 HydrophobicContact CD1-CB 4.41Å; I552-Q562 HydrophobicContact CD1-CG 4.48Å |
| 553 | Q | 89.9 | Confident | 91.8 | Very high | 134 Ų | 134 | 66.5 Ų | 66.5 | 63% | 0.626 | 37% | 0.367 | S | S | * | . | P | Polyproline II helix | trans | -86.2 | 140.3 | 172.7 | -64.6 | -169.3 | 13.1 | 0 | 0 | 110.3 | G555 V556 | Q553-G555 PolarHBondContact O-N 3.13Å; Q553-V556 HydrophobicContact CB-CG2 4Å; Q553-V556 WeakPolarHBondContact O-CB 3.48Å; Q553-V556 PolarHBondContact O-N 3.12Å; Q553-V556 VanDerWaalsContact O-N 3.11Å |
| 554 | P | 87.2 | Confident | 91.6 | Very high | 74 Ų | 74 | 65.4 Ų | 65.4 | 48% | 0.481 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.1 | 135.6 | 176.8 | -26.2 | 34.9 | 0 | 0 | 0 | 112.1 | V556 | P554-V556 VanDerWaalsContact C-N 3.31Å; P554-V556 PolarHBondContact O-N 3.13Å |
| 555 | G | 86.5 | Confident | 91.3 | Very high | 56 Ų | 56 | 67.1 Ų | 67.1 | 58% | 0.577 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.1 | -4.5 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | P440 Q553 L557 | P440-G555 PolarHBondContact O-N 3.06Å; Q553-G555 PolarHBondContact O-N 3.13Å; G555-L557 PolarHBondContact O-N 2.75Å |
| 556 | V | 88.8 | Confident | 91.1 | Very high | 63 Ų | 63 | 69.1 Ų | 69.1 | 38% | 0.382 | 37% | 0.365 | S | S | . | . | trans | -77.4 | 118.5 | 164.2 | 178.1 | 0 | 0 | 0 | 0 | 107.9 | P440 I552 Q553 P554 K558 Y560 | P440-V556 VanDerWaalsContact CB-O 3.32Å; P440-V556 WeakPolarHBondContact CB-O 3.41Å; I552-V556 HydrophobicContact CG2-CB 4.21Å; Q553-V556 HydrophobicContact CB-CG2 4Å; Q553-V556 WeakPolarHBondContact O-CB 3.48Å; Q553-V556 PolarHBondContact O-N 3.12Å; Q553-V556 VanDerWaalsContact O-N 3.11Å; P554-V556 VanDerWaalsContact C-N 3.31Å; P554-V556 PolarHBondContact O-N 3.13Å; V556-K558 WeakPolarHBondContact CG1-O 3.09Å; V556-Y560 HydrophobicContact CG1-CD1 4.3Å; V556-Y560 HydrophobicContact CG1-CE1 4.32Å; V556-Y560 VanDerWaalsContact O-CE1 3.3Å; V556-Y560 WeakPolarHBondContact O-CE1 3.42Å | ||
| 557 | L | 87.3 | Confident | 90.9 | Very high | 104 Ų | 104 | 63.8 Ų | 63.8 | 55% | 0.545 | 34% | 0.344 | S | S | . | . | trans | -110.7 | 1.2 | -172 | -53.8 | -179.2 | 0 | 0 | 0 | 114.5 | G555 | G555-L557 PolarHBondContact O-N 2.75Š| ||
| 558 | K | 89 | Confident | 90.8 | Very high | 180 Ų | 180 | 65.9 Ų | 65.9 | 78% | 0.783 | 35% | 0.348 | S | S | * | . | S | Bend | trans | -152.3 | 164 | -176.5 | -64.3 | -170.1 | 179.6 | -175.2 | 0 | 110.4 | V556 | V556-K558 WeakPolarHBondContact CG1-O 3.09Š|
| 559 | G | 90.4 | Very high | 90.6 | Very high | 53 Ų | 53 | 66.3 Ų | 66.3 | 55% | 0.546 | 35% | 0.348 | S | S | . | . | S | Bend | trans | 85.5 | 15.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | P545 | P545-G559 VanDerWaalsContact CD-O 3.31Å; P545-G559 WeakPolarHBondContact CD-O 3.49Å |
| 560 | Y | 93.8 | Very high | 90.2 | Very high | 45 Ų | 45 | 72.2 Ų | 72.2 | 18% | 0.176 | 38% | 0.384 | C | S | . | . | trans | -142 | 163.1 | 169.8 | 64 | -86.1 | 0 | 0 | 0 | 109.3 | P440 H441 W543 I552 V556 Q562 | P440-Y560 HydrophobicContact CB-CE1 4.41Å; P440-Y560 WeakPolarHBondContact CB-OH 3.19Å; P440-Y560 HydrophobicContact CG-CE1 4.5Å; P440-Y560 HydrophobicContact CG-CE2 4.07Å; H441-Y560 PolarHBondContact NE2-OH 2.03Å; W543-Y560 CarbonylContact O-C 3.55Å; W543-Y560 WeakPolarHBondContact O-CA 3.06Å; I552-Y560 HydrophobicContact CD1-CD2 3.47Å; I552-Y560 VanDerWaalsContact CD1-CD2 3.47Å; I552-Y560 HydrophobicContact CD1-CE2 3.71Å; I552-Y560 HydrophobicContact CD1-CG 3.92Å; I552-Y560 HydrophobicContact CG1-CD2 4.17Å; I552-Y560 HydrophobicContact CG1-CG 4.1Å; I552-Y560 HydrophobicContact CG2-CD1 3.86Å; I552-Y560 HydrophobicContact CG2-CE1 3.9Å; I552-Y560 HydrophobicContact CG2-CG 4.28Å; V556-Y560 HydrophobicContact CG1-CD1 4.3Å; V556-Y560 HydrophobicContact CG1-CE1 4.32Å; V556-Y560 VanDerWaalsContact O-CE1 3.3Å; V556-Y560 WeakPolarHBondContact O-CE1 3.42Å; Y560-Q562 HydrophobicContact CD2-CB 3.95Å; Y560-Q562 HydrophobicContact CE2-CB 4.06Å | ||
| 561 | E | 93.5 | Very high | 89.7 | Confident | 74 Ų | 74 | 74.8 Ų | 74.8 | 35% | 0.346 | 40% | 0.396 | S | S | . | . | B | Isolated β-bridge | trans | -120 | 137.1 | 169.4 | 178.8 | -174.8 | -150.6 | 0 | 0 | 108.6 | Q530 I534 G542 W543 H571 | Q530-E561 PolarHBondContact NE2-OE2 3.44Å; I534-E561 HydrophobicContact CD1-CG 4.01Å; G542-E561 CarbonylContact C-O 3.54Å; G542-E561 WeakPolarHBondContact CA-O 3.24Å; W543-E561 HydrophobicContact CB-CB 4.33Å; W543-E561 PolarHBondContact N-O 3.44Å; W543-E561 PolarHBondContact O-N 3.31Å; E561-H571 IonicContact OE1-NE2 2.79Å |
| 562 | Q | 93 | Very high | 89.4 | Confident | 46 Ų | 46 | 71.5 Ų | 71.5 | 22% | 0.215 | 39% | 0.385 | C | S | . | . | trans | -159.4 | 137.9 | -175.4 | -176.2 | -175.8 | 36.4 | 0 | 0 | 109.1 | D538 P539 C541 I552 Y560 V564 | D538-Q562 PolarHBondContact O-NE2 2.92Å; P539-Q562 PolarHBondContact O-NE2 2.78Å; C541-Q562 VanDerWaalsContact O-CD 3.31Å; C541-Q562 WeakPolarHBondContact O-CG 3.41Å; C541-Q562 PolarHBondContact O-NE2 2.79Å; I552-Q562 HydrophobicContact CD1-CB 4.41Å; I552-Q562 HydrophobicContact CD1-CG 4.48Å; Y560-Q562 HydrophobicContact CD2-CB 3.95Å; Y560-Q562 HydrophobicContact CE2-CB 4.06Å; Q562-V564 HydrophobicContact CG-CG2 3.9Å | ||
| 563 | D | 91.3 | Very high | 88.8 | Confident | 36 Ų | 36 | 74 Ų | 74 | 19% | 0.193 | 41% | 0.413 | C | S | . | . | trans | -133.8 | 95.2 | 171.4 | -179.2 | 0.9 | 0 | 0 | 0 | 109.7 | I534 E565 Y566 G567 N568 | I534-D563 HydrophobicContact CG2-CB 3.99Å; D563-E565 PolarHBondContact OD1-N 2.98Å; D563-Y566 PolarHBondContact OD1-N 3.42Å; D563-G567 WeakPolarHBondContact O-CA 3.3Å; D563-G567 PolarHBondContact O-N 3.49Å; D563-G567 PolarHBondContact OD1-N 3.33Å; D563-G567 PolarHBondContact OD2-N 2.93Å; D563-N568 WeakPolarHBondContact OD2-CB 3.43Å; D563-N568 PolarHBondContact OD2-N 3.39Å | ||
| 564 | V | 90.9 | Very high | 88.6 | Confident | 5 Ų | 5 | 73.7 Ų | 73.7 | 3% | 0.03 | 42% | 0.416 | C | S | . | . | S | Bend | trans | -81.1 | -30.4 | 176.9 | 178.6 | 0 | 0 | 0 | 0 | 111.3 | Y444 L460 R537 P539 Q562 | Y444-V564 HydrophobicContact CD1-CG1 3.92Å; Y444-V564 HydrophobicContact CE1-CB 4.03Å; Y444-V564 HydrophobicContact CE1-CG1 3.54Å; Y444-V564 HydrophobicContact CE2-CB 4.16Å; Y444-V564 HydrophobicContact CE2-CG1 4.22Å; Y444-V564 HydrophobicContact CE2-CG2 3.96Å; Y444-V564 HydrophobicContact CG-CG1 4.43Å; L460-V564 HydrophobicContact CD2-CG1 3.52Å; R537-V564 VanDerWaalsContact CZ-O 3.27Å; R537-V564 PolarHBondContact NE-O 3.45Å; R537-V564 PolarHBondContact NH2-O 3.5Å; P539-V564 HydrophobicContact CG-CG1 4.21Å; Q562-V564 HydrophobicContact CG-CG2 3.9Å |
| 565 | E | 86.9 | Confident | 88.5 | Confident | 83 Ų | 83 | 72.6 Ų | 72.6 | 39% | 0.388 | 41% | 0.409 | S | S | . | . | S | Bend | trans | -88.1 | -22.5 | -168.9 | -70.1 | -167.4 | -148.4 | 0 | 0 | 114.2 | N469 R537 D563 | N469-E565 PolarHBondContact ND2-O 2.84Å; N469-E565 PolarHBondContact OD1-O 3.29Å; R537-E565 PolarHBondContact NH2-O 2.92Å; D563-E565 PolarHBondContact OD1-N 2.98Å |
| 566 | Y | 87.1 | Confident | 87.5 | Confident | 160 Ų | 160 | 77.9 Ų | 77.9 | 63% | 0.627 | 42% | 0.419 | S | S | * | . | S | Bend | trans | -132.4 | -27.1 | 176 | -51.5 | -75.5 | 0 | 0 | 0 | 113.6 | D563 N568 | D563-Y566 PolarHBondContact OD1-N 3.42Å; Y566-N568 VanDerWaalsContact C-N 3.31Å |
| 567 | G | 88.5 | Confident | 85.5 | Confident | 11 Ų | 11 | 80.5 Ų | 80.5 | 11% | 0.113 | 44% | 0.435 | C | S | . | . | trans | 62.9 | 35.5 | -175 | 0 | 0 | 0 | 0 | 0 | 113.1 | D563 T569 | D563-G567 WeakPolarHBondContact O-CA 3.3Å; D563-G567 PolarHBondContact O-N 3.49Å; D563-G567 PolarHBondContact OD1-N 3.33Å; D563-G567 PolarHBondContact OD2-N 2.93Å; G567-T569 PolarHBondContact O-N 3.31Å | ||
| 568 | N | 88.8 | Confident | 83.2 | Confident | 73 Ų | 73 | 84.6 Ų | 84.6 | 39% | 0.39 | 45% | 0.449 | S | S | . | . | trans | -67.7 | 102.5 | -169.7 | -178.7 | 7.5 | 0 | 0 | 0 | 112.6 | D563 Y566 T570 H571 | D563-N568 WeakPolarHBondContact OD2-CB 3.43Å; D563-N568 PolarHBondContact OD2-N 3.39Å; Y566-N568 VanDerWaalsContact C-N 3.31Å; N568-T570 WeakPolarHBondContact OD1-CB 3.47Å; N568-T570 WeakPolarHBondContact OD1-CG2 3.43Å; N568-T570 PolarHBondContact OD1-N 3.42Å; N568-T570 VanDerWaalsContact OD1-N 3.15Å; N568-T570 PolarHBondContact OD1-OG1 2.9Å; N568-H571 PolarHBondContact O-CE1 2.86Å | ||
| 569 | T | 90.9 | Very high | 80.8 | Confident | 32 Ų | 32 | 82.7 Ų | 82.7 | 20% | 0.196 | 45% | 0.446 | C | S | . | . | trans | -104.9 | 10 | 178.4 | 50.8 | 0 | 0 | 0 | 0 | 114.5 | K531 I534 A535 G567 H571 L572 | K531-T569 HydrophobicContact CG-CG2 3.88Å; K531-T569 WeakPolarHBondContact O-CG2 3.37Å; I534-T569 HydrophobicContact CB-CG2 4.15Å; I534-T569 HydrophobicContact CG2-CG2 4.17Å; A535-T569 HydrophobicContact CB-CG2 4.06Å; G567-T569 PolarHBondContact O-N 3.31Å; T569-H571 PolarHBondContact O-N 3.34Å; T569-H571 VanDerWaalsContact O-N 3.13Å; T569-L572 HydrophobicContact CG2-CD1 4.19Å; T569-L572 PolarHBondContact O-N 2.83Å | ||
| 570 | T | 87.4 | Confident | 78.1 | Confident | 127 Ų | 127 | 83.3 Ų | 83.3 | 78% | 0.779 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | -24 | -173.8 | 55.3 | 0 | 0 | 0 | 0 | 115 | N568 | N568-T570 WeakPolarHBondContact OD1-CB 3.47Å; N568-T570 WeakPolarHBondContact OD1-CG2 3.43Å; N568-T570 PolarHBondContact OD1-N 3.42Å; N568-T570 VanDerWaalsContact OD1-N 3.15Å; N568-T570 PolarHBondContact OD1-OG1 2.9Å |
| 571 | H | 84.8 | Confident | 75.1 | Confident | 118 Ų | 118 | 86.9 Ų | 86.9 | 55% | 0.546 | 48% | 0.479 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.1 | 4.9 | -179.2 | 66.2 | -82.7 | 0 | 0 | 0 | 113.1 | E561 N568 T569 | E561-H571 IonicContact OE1-NE2 2.79Å; N568-H571 PolarHBondContact O-CE1 2.86Å; T569-H571 PolarHBondContact O-N 3.34Å; T569-H571 VanDerWaalsContact O-N 3.13Å |
| 572 | L | 87.8 | Confident | 72.3 | Confident | 18 Ų | 18 | 89.9 Ų | 89.9 | 9% | 0.094 | 50% | 0.502 | C | S | . | . | S | Bend | trans | -108.8 | 135 | -172.1 | -63.9 | 177.8 | 0 | 0 | 0 | 112 | Q530 K531 I534 T569 | Q530-L572 VanDerWaalsContact CD-CD2 3.42Å; Q530-L572 HydrophobicContact CG-CD1 3.91Å; Q530-L572 HydrophobicContact CG-CD2 3.79Å; Q530-L572 HydrophobicContact CG-CG 4.47Å; K531-L572 HydrophobicContact CB-CB 4.14Å; K531-L572 HydrophobicContact CG-CB 4.49Å; I534-L572 HydrophobicContact CB-CD1 4.18Å; I534-L572 HydrophobicContact CG1-CD1 3.97Å; T569-L572 HydrophobicContact CG2-CD1 4.19Å; T569-L572 PolarHBondContact O-N 2.83Å |
| 573 | G | 81.2 | Confident | 69.3 | Low | 62 Ų | 62 | 92.5 Ų | 92.5 | 64% | 0.639 | 53% | 0.526 | S | S | * | . | P | Polyproline II helix | trans | -64.6 | 151.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | K531 | K531-G573 WeakPolarHBondContact CB-O 3.24Å; K531-G573 WeakPolarHBondContact CD-O 3.35Å |
| 574 | D | 85.8 | Confident | 66.4 | Low | 127 Ų | 127 | 94.6 Ų | 94.6 | 68% | 0.679 | 55% | 0.548 | S | S | * | . | P | Polyproline II helix | trans | -69.7 | 148.2 | -179.8 | -71.6 | -61.6 | 0 | 0 | 0 | 113.4 | K531 Q576 | K531-D574 WeakPolarHBondContact CD-OD1 3.41Å; K531-D574 WeakPolarHBondContact CE-OD1 3.34Å; K531-D574 IonicContact NZ-OD1 3.67Å; K531-D574 PolarHBondContact NZ-OD1 3.39Å; K531-D574 IonicContact NZ-OD2 3.6Å; D574-Q576 PolarHBondContact O-N 3.01Å |
| 575 | C | 83.9 | Confident | 63.6 | Low | 51 Ų | 51 | 100.4 Ų | 100.4 | 35% | 0.345 | 59% | 0.586 | S | S | . | * | P | Polyproline II helix | trans | -66.1 | 120.7 | 171.2 | -47 | 0 | 0 | 0 | 0 | 108.9 | C529 V577 | C529-C575 HydrophobicContact CB-CB 3.82Å; C529-C575 WeakPolarHBondContact CB-SG 3.41Å; C529-C575 WeakPolarHBondContact SG-CA 3.42Å; C529-C575 WeakPolarHBondContact SG-CB 3.24Å; C529-C575 CovalentContact SG-SG 2.03Å; C529-C575 PolarHBondContact SG-SG 3.27Å; C575-V577 PolarHBondContact O-N 2.69Å |
| 576 | Q | 65.9 | Low | 60.8 | Low | 168 Ų | 168 | 103.8 Ų | 103.8 | 79% | 0.785 | 61% | 0.607 | S | S | * | * | trans | -63.4 | 109.7 | 163.8 | -76.3 | -172.4 | -18.6 | 0 | 0 | 108.5 | D574 F578 | D574-Q576 PolarHBondContact O-N 3.01Å; Q576-F578 PolarHBondContact O-N 2.72Å | ||
| 577 | V | 47.3 | Very low | 58 | Low | 117 Ų | 117 | 106.9 Ų | 106.9 | 71% | 0.709 | 62% | 0.619 | S | S | * | * | trans | -69.5 | 106 | 172.9 | -171.4 | 0 | 0 | 0 | 0 | 107.1 | C575 L579 | C575-V577 PolarHBondContact O-N 2.69Å; V577-L579 HydrophobicContact CG1-CD2 4.48Å; V577-L579 HydrophobicContact CG1-CG 3.97Å; V577-L579 PolarHBondContact O-N 2.68Å | ||
| 578 | F | 39.8 | Very low | 55.2 | Low | 191 Ų | 191 | 115.5 Ų | 115.5 | 84% | 0.838 | 65% | 0.653 | S | S | * | * | trans | -67.9 | 73.1 | 161.3 | -90.6 | -89.9 | 0 | 0 | 0 | 108.9 | Q576 G580 | Q576-F578 PolarHBondContact O-N 2.72Å; F578-G580 PolarHBondContact O-N 3.05Å | ||
| 579 | L | 37.1 | Very low | 52.3 | Low | 140 Ų | 140 | 117.1 Ų | 117.1 | 73% | 0.733 | 67% | 0.671 | S | S | * | * | trans | -59.2 | 98.3 | 151.4 | -77.1 | 172.2 | 0 | 0 | 0 | 105.3 | V577 T581 | V577-L579 HydrophobicContact CG1-CD2 4.48Å; V577-L579 HydrophobicContact CG1-CG 3.97Å; V577-L579 PolarHBondContact O-N 2.68Å; L579-T581 VanDerWaalsContact C-N 3.26Å; L579-T581 PolarHBondContact O-N 2.77Å | ||
| 580 | G | 34.1 | Very low | 49.3 | Very low | 65 Ų | 65 | 125.1 Ų | 125.1 | 67% | 0.67 | 70% | 0.703 | S | S | * | * | trans | -61.3 | 95.5 | 169.1 | 0 | 0 | 0 | 0 | 0 | 107.4 | F578 T582 | F578-G580 PolarHBondContact O-N 3.05Å; G580-T582 VanDerWaalsContact C-N 3.31Å; G580-T582 PolarHBondContact O-N 3.12Å | ||
| 581 | T | 30.7 | Very low | 46.5 | Very low | 121 Ų | 121 | 122.7 Ų | 122.7 | 74% | 0.742 | 70% | 0.703 | S | S | * | * | trans | -64.9 | 95.9 | 179 | 48.3 | 0 | 0 | 0 | 0 | 108 | L579 S583 | L579-T581 VanDerWaalsContact C-N 3.26Å; L579-T581 PolarHBondContact O-N 2.77Å; T581-S583 PolarHBondContact O-N 2.94Å | ||
| 582 | T | 34.2 | Very low | 43.6 | Very low | 136 Ų | 136 | 124.1 Ų | 124.1 | 83% | 0.834 | 72% | 0.715 | S | S | * | * | trans | -65.6 | 77.1 | 157.2 | 50.1 | 0 | 0 | 0 | 0 | 107.4 | G580 A584 | G580-T582 VanDerWaalsContact C-N 3.31Å; G580-T582 PolarHBondContact O-N 3.12Å; T582-A584 PolarHBondContact O-N 3.19Å | ||
| 583 | S | 30.9 | Very low | 41.4 | Very low | 101 Ų | 101 | 127.7 Ų | 127.7 | 71% | 0.706 | 74% | 0.739 | S | S | * | * | trans | -62.1 | 91 | 160.3 | 53.7 | 0 | 0 | 0 | 0 | 106.4 | T581 | T581-S583 PolarHBondContact O-N 2.94Š| ||
| 584 | A | 30.5 | Very low | 38.9 | Very low | 81 Ų | 81 | 130.9 Ų | 130.9 | 67% | 0.669 | 75% | 0.746 | S | S | * | * | trans | -53.4 | 125.7 | 164.8 | 0 | 0 | 0 | 0 | 0 | 106.7 | T582 D586 | T582-A584 PolarHBondContact O-N 3.19Å; A584-D586 PolarHBondContact O-N 3.32Å | ||
| 585 | P | 32.1 | Very low | 36.2 | Very low | 127 Ų | 127 | 129.6 Ų | 129.6 | 83% | 0.825 | 75% | 0.747 | S | S | * | * | trans | -69.3 | 105.7 | -178.9 | 27 | -32.4 | 0 | 0 | 0 | 108.4 | Y587 | P585-Y587 PolarHBondContact O-N 3.34Š| ||
| 586 | D | 28.4 | Very low | 33.5 | Very low | 154 Ų | 154 | 134 Ų | 134 | 82% | 0.824 | 77% | 0.767 | S | S | * | * | trans | -58.3 | 128.2 | 177.9 | -107.2 | -31.6 | 0 | 0 | 0 | 110.3 | A584 K588 | A584-D586 PolarHBondContact O-N 3.32Å; D586-K588 PolarHBondContact O-N 3.32Å | ||
| 587 | Y | 28.8 | Very low | 31.8 | Very low | 224 Ų | 224 | 134.9 Ų | 134.9 | 88% | 0.878 | 77% | 0.773 | S | S | * | * | trans | -66.6 | 103.2 | -177.2 | 179.3 | -91.5 | 0 | 0 | 0 | 110.1 | P585 | P585-Y587 PolarHBondContact O-N 3.34Š| ||
| 588 | K | 28 | Very low | 31 | Very low | 192 Ų | 192 | 133.7 Ų | 133.7 | 84% | 0.835 | 78% | 0.776 | S | S | * | * | trans | -110.4 | 134.4 | 168.4 | -78.4 | -170.7 | 174.1 | -179.7 | 0 | 111.1 | D586 | D586-K588 PolarHBondContact O-N 3.32Š| ||
| 589 | S | 28 | Very low | 30.4 | Very low | 108 Ų | 108 | 134.8 Ų | 134.8 | 76% | 0.755 | 78% | 0.781 | S | S | * | * | trans | -53.6 | 143.7 | -175.8 | -170.9 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 590 | F | 28.9 | Very low | 29.9 | Very low | 200 Ų | 200 | 133.9 Ų | 133.9 | 88% | 0.877 | 79% | 0.786 | S | S | * | * | trans | -60.4 | 144.4 | 158.4 | -101 | -98.9 | 0 | 0 | 0 | 110.5 | ||||
| 591 | G | 27.5 | Very low | 29.5 | Very low | 75 Ų | 75 | 136.4 Ų | 136.4 | 77% | 0.773 | 79% | 0.794 | S | S | * | * | trans | -165.5 | 104.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 592 | D | 25.6 | Very low | 29.6 | Very low | 149 Ų | 149 | 135.2 Ų | 135.2 | 80% | 0.797 | 80% | 0.796 | S | S | * | * | trans | -90.5 | 166.4 | -177.4 | -137.9 | 15.4 | 0 | 0 | 0 | 109.7 | ||||
| 593 | P | 41.5 | Very low | 29.6 | Very low | 93 Ų | 93 | 134.1 Ų | 134.1 | 60% | 0.604 | 79% | 0.791 | S | S | * | * | cis | -135.7 | -169.6 | -6.1 | 25.8 | -0.4 | 0 | 0 | 0 | 114.9 | ||||
| 594 | T | 27.2 | Very low | 29.6 | Very low | 129 Ų | 129 | 136.5 Ų | 136.5 | 79% | 0.791 | 80% | 0.802 | S | S | * | * | trans | 94.6 | 158.4 | 152.8 | 72.3 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 595 | S | 30.4 | Very low | 29.5 | Very low | 100 Ų | 100 | 138.3 Ų | 138.3 | 70% | 0.699 | 80% | 0.804 | S | S | * | * | trans | 70.6 | 90.8 | 173.9 | 68 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 596 | D | 27.7 | Very low | 29.3 | Very low | 142 Ų | 142 | 139 Ų | 139 | 76% | 0.759 | 81% | 0.806 | S | S | * | * | 50.6 | 121.2 | 107.5 | -55.7 | -30.5 | 0 | 0 | 0 | 123.4 | |||||
| 597 | M | 29.5 | Very low | 29.5 | Very low | 187 Ų | 187 | 140 Ų | 140 | 92% | 0.921 | 81% | 0.805 | S | S | * | * | trans | 64.5 | 155.8 | 148.1 | -55 | -167.5 | -161.2 | 0 | 0 | 118.3 | ||||
| 598 | A | 30.1 | Very low | 30.1 | Very low | 93 Ų | 93 | 134.2 Ų | 134.2 | 77% | 0.769 | 80% | 0.796 | S | S | * | * | cis | -141 | 172.7 | 7.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 599 | F | 27.7 | Very low | 30.2 | Very low | 213 Ų | 213 | 130.8 Ų | 130.8 | 93% | 0.934 | 80% | 0.796 | S | S | * | * | trans | -80 | 156.8 | 176.3 | -68.6 | -104.5 | 0 | 0 | 0 | 113.3 | ||||
| 600 | S | 26.6 | Very low | 30.4 | Very low | 121 Ų | 121 | 129.4 Ų | 129.4 | 85% | 0.846 | 80% | 0.799 | S | S | * | * | -171.3 | 128.6 | 112.3 | -168 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 601 | S | 26.3 | Very low | 30.6 | Very low | 118 Ų | 118 | 125.8 Ų | 125.8 | 83% | 0.825 | 80% | 0.795 | S | S | * | * | trans | -144.6 | 148.1 | 155.5 | 59.1 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 602 | A | 31.1 | Very low | 30.7 | Very low | 97 Ų | 97 | 130.6 Ų | 130.6 | 80% | 0.802 | 80% | 0.801 | S | S | * | * | trans | -81.6 | 158.5 | -164.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 603 | P | 35.4 | Very low | 30.9 | Very low | 112 Ų | 112 | 132 Ų | 132 | 73% | 0.727 | 80% | 0.803 | S | S | * | * | trans | -95.9 | 159.1 | -157.1 | 36.9 | -37 | 0 | 0 | 0 | 115.6 | ||||
| 604 | V | 30.7 | Very low | 30.6 | Very low | 152 Ų | 152 | 133.1 Ų | 133.1 | 92% | 0.921 | 81% | 0.81 | S | S | * | * | trans | -131.3 | 132.7 | 149.9 | -179.6 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 605 | T | 27.9 | Very low | 31.2 | Very low | 118 Ų | 118 | 133.1 Ų | 133.1 | 72% | 0.724 | 81% | 0.812 | S | S | * | * | trans | -115.9 | 131.6 | -171.2 | -51.8 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 606 | V | 28.7 | Very low | 31.1 | Very low | 143 Ų | 143 | 134 Ų | 134 | 87% | 0.867 | 81% | 0.814 | S | S | * | * | trans | -164.5 | 149.6 | 137.1 | 159.3 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 607 | Q | 32.7 | Very low | 31 | Very low | 173 Ų | 173 | 134.2 Ų | 134.2 | 81% | 0.808 | 81% | 0.814 | S | S | * | * | trans | -133.5 | -174.8 | -173.3 | -107.8 | -163.6 | -6 | 0 | 0 | 109.2 | ||||
| 608 | P | 41.2 | Very low | 30.9 | Very low | 104 Ų | 104 | 132.1 Ų | 132.1 | 68% | 0.675 | 81% | 0.805 | S | S | * | * | cis | -138.2 | 168.5 | -40.4 | 37.4 | -22.1 | 0 | 0 | 0 | 113.4 | ||||
| 609 | S | 30.6 | Very low | 31.4 | Very low | 120 Ų | 120 | 132.8 Ų | 132.8 | 84% | 0.839 | 80% | 0.801 | S | S | * | * | trans | -168.3 | 122.8 | 151.3 | 59.1 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 610 | G | 30.5 | Very low | 31.3 | Very low | 79 Ų | 79 | 127.2 Ų | 127.2 | 81% | 0.814 | 79% | 0.789 | S | S | * | * | trans | 75.5 | 111.6 | 145 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 611 | P | 33.9 | Very low | 31.2 | Very low | 124 Ų | 124 | 130.2 Ų | 130.2 | 81% | 0.805 | 79% | 0.79 | S | S | * | * | trans | -111.3 | 150.8 | 173.5 | 38.6 | -30.1 | 0 | 0 | 0 | 114.8 | ||||
| 612 | I | 30 | Very low | 31.3 | Very low | 175 Ų | 175 | 129.5 Ų | 129.5 | 90% | 0.897 | 79% | 0.785 | S | S | * | * | trans | -141.6 | 144.9 | 161.2 | -59.8 | -176.2 | 0 | 0 | 0 | 109.3 | ||||
| 613 | Q | 30.2 | Very low | 31.9 | Very low | 180 Ų | 180 | 130.2 Ų | 130.2 | 84% | 0.841 | 78% | 0.781 | S | S | * | * | trans | -95.1 | 159.3 | -176.3 | -64 | 164.8 | -67.5 | 0 | 0 | 113.6 | ||||
| 614 | P | 35 | Very low | 31.7 | Very low | 115 Ų | 115 | 130.3 Ų | 130.3 | 75% | 0.747 | 78% | 0.784 | S | S | * | * | trans | -91.4 | 153.3 | 169.1 | 36.4 | -33.7 | 0 | 0 | 0 | 113.5 | ||||
| 615 | P | 38.8 | Very low | 31.5 | Very low | 129 Ų | 129 | 128.7 Ų | 128.7 | 84% | 0.838 | 78% | 0.78 | S | S | * | * | trans | -90.7 | 174.3 | 170.8 | 36.9 | -35 | 0 | 0 | 0 | 113.6 | ||||
| 616 | V | 28.6 | Very low | 31.3 | Very low | 120 Ų | 120 | 126.5 Ų | 126.5 | 73% | 0.727 | 78% | 0.78 | S | S | * | * | trans | -141.7 | 163.4 | -166.6 | 176.2 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 617 | L | 25.9 | Very low | 32.1 | Very low | 145 Ų | 145 | 126.1 Ų | 126.1 | 76% | 0.759 | 78% | 0.781 | S | S | * | * | trans | 84.1 | 138.9 | 177.9 | -61.2 | 115.7 | 0 | 0 | 0 | 117.1 | ||||
| 618 | I | 26.4 | Very low | 31.9 | Very low | 144 Ų | 144 | 128 Ų | 128 | 74% | 0.738 | 78% | 0.781 | S | S | * | * | cis | 85.7 | 143.2 | 23.1 | -58.3 | 166 | 0 | 0 | 0 | 112.5 | ||||
| 619 | P | 40.2 | Very low | 32.2 | Very low | 107 Ų | 107 | 128 Ų | 128 | 70% | 0.695 | 78% | 0.78 | S | S | * | * | cis | -134 | -179 | 0.2 | 36.2 | -16.7 | 0 | 0 | 0 | 118.4 | ||||
| 620 | S | 25.9 | Very low | 32.1 | Very low | 96 Ų | 96 | 129.3 Ų | 129.3 | 67% | 0.671 | 77% | 0.773 | S | S | * | * | trans | 92.7 | 154.8 | 142.3 | 87.1 | 0 | 0 | 0 | 0 | 119 | ||||
| 621 | Q | 25.5 | Very low | 32 | Very low | 184 Ų | 184 | 131.6 Ų | 131.6 | 86% | 0.86 | 77% | 0.766 | S | S | * | * | cis | -152.5 | 165.7 | 12 | -144.9 | 159.1 | 116.9 | 0 | 0 | 112.6 | ||||
| 622 | S | 28.9 | Very low | 31.6 | Very low | 103 Ų | 103 | 136 Ų | 136 | 72% | 0.72 | 77% | 0.768 | S | S | * | * | trans | -122.4 | 169.1 | 179.6 | 59.6 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 623 | P | 43.3 | Very low | 31.4 | Very low | 112 Ų | 112 | 130.7 Ų | 130.7 | 73% | 0.727 | 76% | 0.757 | S | S | * | * | -156.3 | 163.3 | 104 | 40.8 | -22.9 | 0 | 0 | 0 | 118.7 | |||||
| 624 | S | 30.1 | Very low | 31.3 | Very low | 114 Ų | 114 | 128.5 Ų | 128.5 | 80% | 0.797 | 76% | 0.761 | S | S | * | * | trans | 25.6 | 151.8 | 145.6 | 68.3 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 625 | S | 26.6 | Very low | 30.9 | Very low | 118 Ų | 118 | 126.3 Ų | 126.3 | 83% | 0.825 | 76% | 0.76 | S | S | * | * | cis | -154.7 | 170.4 | 34.5 | 55 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 626 | G | 24.6 | Very low | 30.3 | Very low | 71 Ų | 71 | 129.4 Ų | 129.4 | 73% | 0.732 | 76% | 0.76 | S | S | * | * | trans | -107 | -150.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 627 | P | 45.6 | Very low | 30.2 | Very low | 135 Ų | 135 | 128.9 Ų | 128.9 | 88% | 0.877 | 76% | 0.757 | S | S | * | * | cis | -136.4 | -167.3 | 25.4 | 43 | -24.2 | 0 | 0 | 0 | 117 | ||||
| 628 | R | 28.7 | Very low | 30.3 | Very low | 214 Ų | 214 | 128.9 Ų | 128.9 | 81% | 0.808 | 76% | 0.757 | S | S | * | * | trans | -94.5 | -172 | 176.7 | -129.9 | -173.7 | -160.6 | 168 | 4.9 | 111 | ||||
| 629 | P | 47.1 | Very low | 30.3 | Very low | 102 Ų | 102 | 129 Ų | 129 | 66% | 0.662 | 76% | 0.755 | S | S | * | * | cis | -143.6 | 150.9 | 43.7 | 42.5 | -21.2 | 0 | 0 | 0 | 117.1 | ||||
| 630 | E | 28.7 | Very low | 29.6 | Very low | 148 Ų | 148 | 130.6 Ų | 130.6 | 69% | 0.692 | 76% | 0.757 | S | S | * | * | 82.1 | 166.9 | 102.3 | -62.1 | 171.5 | -178.2 | 0 | 0 | 115.2 | |||||
| 631 | L | 28 | Very low | 29.8 | Very low | 127 Ų | 127 | 133.5 Ų | 133.5 | 67% | 0.665 | 77% | 0.765 | S | S | * | * | cis | -156.1 | 143.7 | 10.4 | -162.2 | 67.7 | 0 | 0 | 0 | 111.8 | ||||
| 632 | Y | 26.6 | Very low | 30.7 | Very low | 216 Ų | 216 | 129.9 Ų | 129.9 | 85% | 0.847 | 76% | 0.758 | S | S | * | * | trans | 37.9 | 161.8 | 150.4 | -74 | -130.7 | 0 | 0 | 0 | 122.5 | ||||
| 633 | G | 25.3 | Very low | 30.7 | Very low | 65 Ų | 65 | 128.8 Ų | 128.8 | 67% | 0.67 | 76% | 0.755 | S | S | * | * | cis | 137.8 | 133.3 | -10.9 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 634 | S | 27.8 | Very low | 30 | Very low | 133 Ų | 133 | 129.9 Ų | 129.9 | 93% | 0.93 | 76% | 0.759 | S | S | * | * | trans | 95.8 | 136 | 155 | -155.3 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 635 | G | 26.5 | Very low | 30 | Very low | 69 Ų | 69 | 128.7 Ų | 128.7 | 71% | 0.711 | 75% | 0.751 | S | S | * | * | trans | 93.6 | 154.9 | 149.9 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 636 | F | 26.4 | Very low | 30.2 | Very low | 195 Ų | 195 | 131.6 Ų | 131.6 | 86% | 0.855 | 75% | 0.752 | S | S | * | * | cis | -167.9 | 149.9 | -25.2 | -154.4 | -122.6 | 0 | 0 | 0 | 110.4 | ||||
| 637 | V | 25.5 | Very low | 30.3 | Very low | 108 Ų | 108 | 133.2 Ų | 133.2 | 66% | 0.655 | 75% | 0.751 | S | S | * | * | trans | 59.3 | 114.8 | 154.6 | 153.7 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 638 | L | 28.7 | Very low | 29.6 | Very low | 145 Ų | 145 | 133.6 Ų | 133.6 | 76% | 0.759 | 75% | 0.746 | S | S | * | * | 52.9 | 130.7 | 122.9 | -134.9 | 84.7 | 0 | 0 | 0 | 123.5 | |||||
| 639 | Q | 26.1 | Very low | 29.5 | Very low | 148 Ų | 148 | 129.4 Ų | 129.4 | 69% | 0.692 | 74% | 0.739 | S | S | * | * | trans | 99.1 | 126.2 | 133.9 | -158 | 157.1 | -5.9 | 0 | 0 | 121.9 | ||||
| 640 | D | 26.7 | Very low | 28.5 | Very low | 140 Ų | 140 | 128.8 Ų | 128.8 | 75% | 0.749 | 74% | 0.737 | S | S | * | * | trans | 57.5 | 147.1 | 155.7 | -59.2 | -17 | 0 | 0 | 0 | 123.9 | ||||
| 641 | D | 28.7 | Very low | 28.5 | Very low | 156 Ų | 156 | 129.7 Ų | 129.7 | 83% | 0.834 | 75% | 0.746 | S | S | * | * | trans | -69.3 | 173.9 | 173.3 | -108 | -45.6 | 0 | 0 | 0 | 113.3 | ||||
| 642 | P | 45.9 | Very low | 29.1 | Very low | 109 Ų | 109 | 129.2 Ų | 129.2 | 71% | 0.708 | 75% | 0.75 | S | S | * | * | cis | -139.7 | -172.5 | -1.8 | 35.1 | -12.9 | 0 | 0 | 0 | 116.6 | ||||
| 643 | A | 27.3 | Very low | 29.1 | Very low | 79 Ų | 79 | 122.9 Ų | 122.9 | 65% | 0.653 | 75% | 0.751 | S | S | * | * | trans | 85.8 | 115.7 | 140.2 | 0 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 644 | T | 30.1 | Very low | 29.2 | Very low | 135 Ų | 135 | 123.3 Ų | 123.3 | 83% | 0.828 | 76% | 0.756 | S | S | * | * | trans | 59.7 | 134.6 | 147.7 | 19.5 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 645 | S | 28.7 | Very low | 29.8 | Very low | 90 Ų | 90 | 123.2 Ų | 123.2 | 63% | 0.629 | 75% | 0.752 | S | S | * | * | cis | -175.8 | 164.7 | 36.3 | 46.8 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 646 | H | 30.6 | Very low | 30 | Very low | 179 Ų | 179 | 129 Ų | 129 | 83% | 0.829 | 76% | 0.76 | S | S | * | * | trans | 33.4 | 134.4 | 157.1 | -53.4 | -53.4 | 0 | 0 | 0 | 121 | ||||
| 647 | S | 28.4 | Very low | 30.3 | Very low | 104 Ų | 104 | 123.2 Ų | 123.2 | 73% | 0.727 | 76% | 0.756 | S | S | * | * | cis | -171.7 | -156.8 | 2.1 | 52.5 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 648 | L | 29.1 | Very low | 30.3 | Very low | 144 Ų | 144 | 124.7 Ų | 124.7 | 75% | 0.754 | 77% | 0.765 | S | S | * | * | cis | -162.9 | -170.1 | 8.3 | -133.8 | -170.4 | 0 | 0 | 0 | 109.7 | ||||
| 649 | N | 27.2 | Very low | 30.3 | Very low | 125 Ų | 125 | 129.6 Ų | 129.6 | 67% | 0.668 | 77% | 0.773 | S | S | * | * | trans | 62.2 | 90.9 | 154.8 | -70.5 | -7.3 | 0 | 0 | 0 | 122.3 | ||||
| 650 | S | 26.9 | Very low | 30.4 | Very low | 90 Ų | 90 | 129.7 Ų | 129.7 | 63% | 0.629 | 78% | 0.779 | S | S | * | * | 44 | 112.1 | 118.4 | 59.6 | 0 | 0 | 0 | 0 | 120.6 | |||||
| 651 | L | 29 | Very low | 30.6 | Very low | 166 Ų | 166 | 130.1 Ų | 130.1 | 87% | 0.869 | 78% | 0.779 | S | S | * | * | 80.6 | 152.4 | 73.6 | -74.9 | 164.4 | 0 | 0 | 0 | 114.7 | |||||
| 652 | P | 39.9 | Very low | 30.4 | Very low | 117 Ų | 117 | 133.5 Ų | 133.5 | 76% | 0.76 | 78% | 0.781 | S | S | * | * | cis | -140.1 | 166.3 | -18.8 | 37.8 | -20.1 | 0 | 0 | 0 | 117 | ||||
| 653 | G | 26.4 | Very low | 29.8 | Very low | 84 Ų | 84 | 134.2 Ų | 134.2 | 87% | 0.866 | 78% | 0.783 | S | S | * | * | trans | 97.8 | 128.5 | 148.1 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 654 | G | 27.3 | Very low | 29.9 | Very low | 74 Ų | 74 | 134.2 Ų | 134.2 | 76% | 0.763 | 79% | 0.791 | S | S | * | * | cis | -166.6 | 153.7 | -7.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 655 | P | 39.7 | Very low | 30 | Very low | 130 Ų | 130 | 134 Ų | 134 | 84% | 0.844 | 79% | 0.785 | S | S | * | * | trans | -113.2 | 162.5 | -164.1 | 40.8 | -33.5 | 0 | 0 | 0 | 116.2 | ||||
| 656 | E | 32.1 | Very low | 30.4 | Very low | 190 Ų | 190 | 134.1 Ų | 134.1 | 89% | 0.888 | 79% | 0.785 | S | S | * | * | trans | -75.9 | 148.3 | 159.8 | -62.8 | -176.7 | 126.3 | 0 | 0 | 111.4 | ||||
| 657 | G | 31.1 | Very low | 31.1 | Very low | 75 Ų | 75 | 133.8 Ų | 133.8 | 77% | 0.773 | 79% | 0.79 | S | S | * | * | trans | -93.7 | 99.2 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 658 | V | 27.5 | Very low | 32.1 | Very low | 138 Ų | 138 | 133.4 Ų | 133.4 | 84% | 0.836 | 78% | 0.776 | S | S | * | * | trans | -76.5 | 135 | 164.7 | 175.5 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 659 | W | 27.9 | Very low | 33 | Very low | 248 Ų | 248 | 134.8 Ų | 134.8 | 94% | 0.939 | 78% | 0.781 | S | S | * | * | trans | -88.6 | 116 | 171.8 | -79.3 | 82.5 | 0 | 0 | 0 | 110.9 | ||||
| 660 | D | 27.4 | Very low | 34.1 | Very low | 150 Ų | 150 | 134 Ų | 134 | 80% | 0.802 | 78% | 0.78 | S | S | * | * | trans | -140.2 | 158.1 | 159.7 | -148.2 | -20.5 | 0 | 0 | 0 | 110.4 | ||||
| 661 | I | 31 | Very low | 35.6 | Very low | 149 Ų | 149 | 135.9 Ų | 135.9 | 76% | 0.764 | 78% | 0.779 | S | S | * | * | trans | -112 | 120.8 | -158 | -62.5 | 166.7 | 0 | 0 | 0 | 111.7 | ||||
| 662 | R | 25 | Very low | 36.8 | Very low | 228 Ų | 228 | 132 Ų | 132 | 86% | 0.86 | 76% | 0.757 | S | S | * | * | trans | -157.3 | 121.6 | 144.7 | -115.8 | 167.6 | -171.8 | -172.8 | 0.6 | 115.3 | ||||
| 663 | T | 33.4 | Very low | 37.6 | Very low | 124 Ų | 124 | 131.7 Ų | 131.7 | 76% | 0.761 | 75% | 0.75 | S | S | * | * | trans | 33.2 | 106.7 | 139.9 | 54.7 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 664 | G | 29.2 | Very low | 39.7 | Very low | 79 Ų | 79 | 132.3 Ų | 132.3 | 81% | 0.814 | 73% | 0.732 | S | S | * | * | trans | -115.6 | 114.1 | 154.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 665 | D | 32.6 | Very low | 41.7 | Very low | 131 Ų | 131 | 133.4 Ų | 133.4 | 70% | 0.701 | 72% | 0.72 | S | S | * | * | trans | -66.6 | 162 | 156.2 | -71 | -66.9 | 0 | 0 | 0 | 109.3 | ||||
| 666 | S | 37.6 | Very low | 43.5 | Very low | 92 Ų | 92 | 132.2 Ų | 132.2 | 64% | 0.643 | 71% | 0.705 | S | S | * | * | cis | -149.8 | 136.7 | 24.5 | 49.4 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 667 | N | 44.3 | Very low | 45.6 | Very low | 172 Ų | 172 | 127.7 Ų | 127.7 | 92% | 0.92 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -148.4 | 30.2 | 154.7 | -104.3 | -36.7 | 0 | 0 | 0 | 110.4 | ||
| 668 | Q | 49.8 | Very low | 47.7 | Very low | 95 Ų | 95 | 127.7 Ų | 127.7 | 44% | 0.444 | 68% | 0.678 | S | S | . | * | trans | -98.1 | 2 | -165.1 | -147.2 | -175.5 | 48.6 | 0 | 0 | 114.7 | V670 H671 M672 | Q668-V670 VanDerWaalsContact C-N 3.26Å; Q668-V670 PolarHBondContact O-N 2.88Å; Q668-V670 VanDerWaalsContact O-N 3.16Å; Q668-H671 PolarHBondContact O-N 3.39Å; Q668-M672 VanDerWaalsContact OE1-CE 3.27Å | ||
| 669 | M | 48.3 | Very low | 50.5 | Low | 173 Ų | 173 | 125.5 Ų | 125.5 | 85% | 0.852 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.5 | 3.9 | -169.9 | -65.8 | -158.4 | -69.3 | 0 | 0 | 116.1 | ||
| 670 | V | 50.1 | Low | 52.9 | Low | 108 Ų | 108 | 120 Ų | 120 | 66% | 0.655 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.2 | -34.6 | 170 | -175.3 | 0 | 0 | 0 | 0 | 111.9 | Q668 | Q668-V670 VanDerWaalsContact C-N 3.26Å; Q668-V670 PolarHBondContact O-N 2.88Å; Q668-V670 VanDerWaalsContact O-N 3.16Å |
| 671 | H | 57.8 | Low | 55.5 | Low | 130 Ų | 130 | 115.1 Ų | 115.1 | 60% | 0.602 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -75.3 | -33.7 | -174.9 | -82.3 | -76.5 | 0 | 0 | 0 | 114 | Q668 N673 I674 L675 | Q668-H671 PolarHBondContact O-N 3.39Å; H671-N673 PolarHBondContact O-N 2.95Å; H671-I674 PolarHBondContact O-N 2.82Å; H671-L675 PolarHBondContact O-N 2.83Å |
| 672 | M | 54.6 | Low | 58 | Low | 84 Ų | 84 | 111.1 Ų | 111.1 | 41% | 0.414 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -63.6 | -39.5 | -176.7 | -78.1 | -63.5 | -176 | 0 | 0 | 113.3 | Q668 I674 L675 I676 | Q668-M672 VanDerWaalsContact OE1-CE 3.27Å; M672-I674 VanDerWaalsContact C-N 3.32Å; M672-I674 PolarHBondContact O-N 2.82Å; M672-L675 PolarHBondContact O-N 2.87Å; M672-I676 WeakPolarHBondContact O-CB 3.24Å; M672-I676 VanDerWaalsContact O-CG1 3.24Å; M672-I676 WeakPolarHBondContact O-CG1 3.22Å; M672-I676 PolarHBondContact O-N 3.44Å |
| 673 | N | 56.9 | Low | 61.1 | Low | 112 Ų | 112 | 107 Ų | 107 | 60% | 0.599 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -66.3 | -35.1 | 177.9 | -70.9 | -14.8 | 0 | 0 | 0 | 112.3 | H671 T677 | H671-N673 PolarHBondContact O-N 2.95Å; N673-T677 WeakPolarHBondContact O-CB 3.49Å; N673-T677 PolarHBondContact O-N 3.5Å; N673-T677 PolarHBondContact O-OG1 2.71Å |
| 674 | I | 70.5 | Confident | 63.6 | Low | 96 Ų | 96 | 105.4 Ų | 105.4 | 49% | 0.492 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -68.7 | -46 | 173.5 | -59.9 | 175.2 | 0 | 0 | 0 | 109.9 | H671 M672 I676 T677 C678 | H671-I674 PolarHBondContact O-N 2.82Å; M672-I674 VanDerWaalsContact C-N 3.32Å; M672-I674 PolarHBondContact O-N 2.82Å; I674-I676 PolarHBondContact O-N 2.94Å; I674-T677 PolarHBondContact O-N 2.79Å; I674-C678 WeakPolarHBondContact O-CB 3.49Å; I674-C678 PolarHBondContact O-N 3.44Å; I674-C678 PolarHBondContact O-SG 3.12Å; I674-C678 VanDerWaalsContact O-SG 3.32Å |
| 675 | L | 69.7 | Low | 66.2 | Low | 98 Ų | 98 | 107.1 Ų | 107.1 | 51% | 0.513 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -58.4 | -47 | 176.6 | -110.3 | 162.6 | 0 | 0 | 0 | 112.3 | H671 M672 T677 C678 V679 | H671-L675 PolarHBondContact O-N 2.83Å; M672-L675 PolarHBondContact O-N 2.87Å; L675-T677 PolarHBondContact O-N 3.38Å; L675-C678 PolarHBondContact O-N 3.37Å; L675-V679 WeakPolarHBondContact O-CB 3.33Å; L675-V679 VanDerWaalsContact O-CG2 3.3Å; L675-V679 WeakPolarHBondContact O-CG2 3.4Å; L675-V679 PolarHBondContact O-N 2.71Å |
| 676 | I | 76.9 | Confident | 68.8 | Low | 104 Ų | 104 | 102.7 Ų | 102.7 | 53% | 0.533 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -60.9 | -45.2 | 175.7 | -69 | 164.1 | 0 | 0 | 0 | 110.2 | M672 I674 C678 V679 F680 | M672-I676 WeakPolarHBondContact O-CB 3.24Å; M672-I676 VanDerWaalsContact O-CG1 3.24Å; M672-I676 WeakPolarHBondContact O-CG1 3.22Å; M672-I676 PolarHBondContact O-N 3.44Å; I674-I676 PolarHBondContact O-N 2.94Å; I676-C678 PolarHBondContact O-N 3.05Å; I676-V679 PolarHBondContact O-N 3.06Å; I676-F680 VanDerWaalsContact O-CB 3.31Å; I676-F680 WeakPolarHBondContact O-CB 3.48Å; I676-F680 PolarHBondContact O-N 3.28Å |
| 677 | T | 75.4 | Confident | 71 | Confident | 96 Ų | 96 | 100.8 Ų | 100.8 | 59% | 0.589 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -62.6 | -42.9 | 177.7 | -56.2 | 0 | 0 | 0 | 0 | 111.6 | N673 I674 L675 F680 A681 | N673-T677 WeakPolarHBondContact O-CB 3.49Å; N673-T677 PolarHBondContact O-N 3.5Å; N673-T677 PolarHBondContact O-OG1 2.71Å; I674-T677 PolarHBondContact O-N 2.79Å; L675-T677 PolarHBondContact O-N 3.38Å; T677-F680 PolarHBondContact O-N 3.15Å; T677-A681 VanDerWaalsContact O-CB 3.23Å; T677-A681 WeakPolarHBondContact O-CB 3.33Å; T677-A681 PolarHBondContact O-N 2.84Å |
| 678 | C | 75.5 | Confident | 72.9 | Confident | 74 Ų | 74 | 97.8 Ų | 97.8 | 50% | 0.5 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -66.5 | -40.7 | 176.6 | -71 | 0 | 0 | 0 | 0 | 112.5 | I674 L675 I676 A682 | I674-C678 WeakPolarHBondContact O-CB 3.49Å; I674-C678 PolarHBondContact O-N 3.44Å; I674-C678 PolarHBondContact O-SG 3.12Å; I674-C678 VanDerWaalsContact O-SG 3.32Å; L675-C678 PolarHBondContact O-N 3.37Å; I676-C678 PolarHBondContact O-N 3.05Å; C678-A682 VanDerWaalsContact O-CB 3.25Å; C678-A682 WeakPolarHBondContact O-CB 3.22Å; C678-A682 PolarHBondContact O-N 3.44Å |
| 679 | V | 87.1 | Confident | 74.6 | Confident | 93 Ų | 93 | 98 Ų | 98 | 56% | 0.564 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -66.9 | -41.5 | 175.5 | 169.3 | 0 | 0 | 0 | 0 | 110.9 | L675 I676 A682 F683 | L675-V679 WeakPolarHBondContact O-CB 3.33Å; L675-V679 VanDerWaalsContact O-CG2 3.3Å; L675-V679 WeakPolarHBondContact O-CG2 3.4Å; L675-V679 PolarHBondContact O-N 2.71Å; I676-V679 PolarHBondContact O-N 3.06Å; V679-A682 PolarHBondContact O-N 3.46Å; V679-F683 WeakPolarHBondContact O-CB 3.37Å; V679-F683 PolarHBondContact O-N 2.87Å |
| 680 | F | 78.6 | Confident | 76.2 | Confident | 132 Ų | 132 | 92.2 Ų | 92.2 | 58% | 0.579 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -68.2 | -39.7 | 177.4 | -148.3 | -90.5 | 0 | 0 | 0 | 111.6 | I676 T677 F683 L684 | I676-F680 VanDerWaalsContact O-CB 3.31Å; I676-F680 WeakPolarHBondContact O-CB 3.48Å; I676-F680 PolarHBondContact O-N 3.28Å; T677-F680 PolarHBondContact O-N 3.15Å; F680-F683 PolarHBondContact O-N 2.86Å; F680-L684 HydrophobicContact CD1-CD1 3.71Å; F680-L684 HydrophobicContact CD1-CG 4.06Å; F680-L684 HydrophobicContact CE1-CD1 3.93Å; F680-L684 HydrophobicContact CE1-CD2 4.46Å; F680-L684 HydrophobicContact CE1-CG 4.19Å; F680-L684 WeakPolarHBondContact O-CB 3.27Å; F680-L684 VanDerWaalsContact O-CG 3.3Å; F680-L684 WeakPolarHBondContact O-CG 3.35Å; F680-L684 PolarHBondContact O-N 2.87Å |
| 681 | A | 82 | Confident | 77.7 | Confident | 48 Ų | 48 | 89 Ų | 89 | 40% | 0.397 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.2 | -43.1 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112 | T677 L684 M685 | T677-A681 VanDerWaalsContact O-CB 3.23Å; T677-A681 WeakPolarHBondContact O-CB 3.33Å; T677-A681 PolarHBondContact O-N 2.84Å; A681-L684 PolarHBondContact O-N 3.16Å; A681-M685 WeakPolarHBondContact O-CB 3.43Å; A681-M685 VanDerWaalsContact O-CG 3.25Å; A681-M685 WeakPolarHBondContact O-CG 3.29Å; A681-M685 PolarHBondContact O-N 3.36Å |
| 682 | A | 83.7 | Confident | 78.8 | Confident | 65 Ų | 65 | 87.4 Ų | 87.4 | 54% | 0.537 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64 | -39.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112 | C678 V679 G686 | C678-A682 VanDerWaalsContact O-CB 3.25Å; C678-A682 WeakPolarHBondContact O-CB 3.22Å; C678-A682 PolarHBondContact O-N 3.44Å; V679-A682 PolarHBondContact O-N 3.46Å; A682-G686 PolarHBondContact O-N 3.5Å |
| 683 | F | 88.9 | Confident | 80 | Confident | 142 Ų | 142 | 88.9 Ų | 88.9 | 62% | 0.623 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -65.3 | -45.6 | 174.4 | -178.4 | -97.6 | 0 | 0 | 0 | 112 | V679 F680 G686 A687 | V679-F683 WeakPolarHBondContact O-CB 3.37Å; V679-F683 PolarHBondContact O-N 2.87Å; F680-F683 PolarHBondContact O-N 2.86Å; F683-G686 PolarHBondContact O-N 2.81Å; F683-A687 VanDerWaalsContact O-CB 3.32Å; F683-A687 WeakPolarHBondContact O-CB 3.38Å; F683-A687 PolarHBondContact O-N 3.26Å |
| 684 | L | 85.5 | Confident | 81.1 | Confident | 89 Ų | 89 | 88.1 Ų | 88.1 | 47% | 0.466 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64.1 | -41.5 | 176.1 | -72.8 | 173.8 | 0 | 0 | 0 | 112.2 | F680 A681 A687 L688 | F680-L684 HydrophobicContact CD1-CD1 3.71Å; F680-L684 HydrophobicContact CD1-CG 4.06Å; F680-L684 HydrophobicContact CE1-CD1 3.93Å; F680-L684 HydrophobicContact CE1-CD2 4.46Å; F680-L684 HydrophobicContact CE1-CG 4.19Å; F680-L684 WeakPolarHBondContact O-CB 3.27Å; F680-L684 VanDerWaalsContact O-CG 3.3Å; F680-L684 WeakPolarHBondContact O-CG 3.35Å; F680-L684 PolarHBondContact O-N 2.87Å; A681-L684 PolarHBondContact O-N 3.16Å; L684-A687 PolarHBondContact O-N 3.46Å; L684-L688 WeakPolarHBondContact O-CB 3.31Å; L684-L688 PolarHBondContact O-N 2.86Å |
| 685 | M | 85.3 | Confident | 81.3 | Confident | 116 Ų | 116 | 90.4 Ų | 90.4 | 57% | 0.571 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -65.1 | -41.2 | 174 | -74.4 | -66.3 | -69.2 | 0 | 0 | 111.8 | A681 L688 L689 | A681-M685 WeakPolarHBondContact O-CB 3.43Å; A681-M685 VanDerWaalsContact O-CG 3.25Å; A681-M685 WeakPolarHBondContact O-CG 3.29Å; A681-M685 PolarHBondContact O-N 3.36Å; M685-L688 PolarHBondContact O-N 3.5Å; M685-L689 WeakPolarHBondContact O-CB 3.38Å; M685-L689 WeakPolarHBondContact O-CG 3.26Å; M685-L689 PolarHBondContact O-N 2.87Å |
| 686 | G | 86.2 | Confident | 81.3 | Confident | 37 Ų | 37 | 89.4 Ų | 89.4 | 38% | 0.381 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.4 | -41.4 | 174 | 0 | 0 | 0 | 0 | 0 | 112.5 | A682 F683 L689 A690 | A682-G686 PolarHBondContact O-N 3.5Å; F683-G686 PolarHBondContact O-N 2.81Å; G686-L689 PolarHBondContact O-N 3.33Å; G686-A690 VanDerWaalsContact O-CB 3.26Å; G686-A690 WeakPolarHBondContact O-CB 3.41Å; G686-A690 PolarHBondContact O-N 3.49Å |
| 687 | A | 84.6 | Confident | 81 | Confident | 52 Ų | 52 | 92.8 Ų | 92.8 | 43% | 0.43 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -67.4 | -37.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | F683 L684 G691 | F683-A687 VanDerWaalsContact O-CB 3.32Å; F683-A687 WeakPolarHBondContact O-CB 3.38Å; F683-A687 PolarHBondContact O-N 3.26Å; L684-A687 PolarHBondContact O-N 3.46Å; A687-G691 PolarHBondContact O-N 3.38Å |
| 688 | L | 84.3 | Confident | 80.5 | Confident | 110 Ų | 110 | 96.7 Ų | 96.7 | 58% | 0.576 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -65.2 | -44.5 | 172.2 | -97.5 | 164 | 0 | 0 | 0 | 112.1 | L684 M685 G691 L692 | L684-L688 WeakPolarHBondContact O-CB 3.31Å; L684-L688 PolarHBondContact O-N 2.86Å; M685-L688 PolarHBondContact O-N 3.5Å; L688-G691 PolarHBondContact O-N 3.35Å; L688-L692 WeakPolarHBondContact O-CB 3.33Å; L688-L692 VanDerWaalsContact O-CG 3.31Å; L688-L692 WeakPolarHBondContact O-CG 3.23Å; L688-L692 PolarHBondContact O-N 2.81Å |
| 689 | L | 84 | Confident | 79.4 | Confident | 100 Ų | 100 | 96 Ų | 96 | 52% | 0.524 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -64.9 | -45.8 | 176.2 | -81.9 | 161.9 | 0 | 0 | 0 | 111.8 | M685 G686 G691 L692 I693 | M685-L689 WeakPolarHBondContact O-CB 3.38Å; M685-L689 WeakPolarHBondContact O-CG 3.26Å; M685-L689 PolarHBondContact O-N 2.87Å; G686-L689 PolarHBondContact O-N 3.33Å; L689-G691 VanDerWaalsContact C-N 3.34Å; L689-G691 PolarHBondContact O-N 2.84Å; L689-L692 PolarHBondContact O-N 2.83Å; L689-I693 WeakPolarHBondContact O-CB 3.25Å; L689-I693 WeakPolarHBondContact O-CD1 3.47Å; L689-I693 VanDerWaalsContact O-CG1 3.22Å; L689-I693 WeakPolarHBondContact O-CG1 3.33Å; L689-I693 PolarHBondContact O-N 2.88Å |
| 690 | A | 83.2 | Confident | 78 | Confident | 51 Ų | 51 | 94.5 Ų | 94.5 | 42% | 0.421 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61.5 | -42.4 | 174 | 0 | 0 | 0 | 0 | 0 | 111.5 | G686 I693 V694 | G686-A690 VanDerWaalsContact O-CB 3.26Å; G686-A690 WeakPolarHBondContact O-CB 3.41Å; G686-A690 PolarHBondContact O-N 3.49Å; A690-I693 PolarHBondContact O-N 2.88Å; A690-V694 WeakPolarHBondContact O-CB 3.42Å; A690-V694 VanDerWaalsContact O-CG2 3.29Å; A690-V694 WeakPolarHBondContact O-CG2 3.25Å; A690-V694 PolarHBondContact O-N 3.37Å |
| 691 | G | 81.9 | Confident | 76.8 | Confident | 40 Ų | 40 | 92.6 Ų | 92.6 | 41% | 0.412 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -60.9 | -44 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | A687 L688 L689 V694 F695 | A687-G691 PolarHBondContact O-N 3.38Å; L688-G691 PolarHBondContact O-N 3.35Å; L689-G691 VanDerWaalsContact C-N 3.34Å; L689-G691 PolarHBondContact O-N 2.84Å; G691-V694 PolarHBondContact O-N 2.81Å; G691-F695 WeakPolarHBondContact O-CB 3.3Å; G691-F695 PolarHBondContact O-N 3.32Å |
| 692 | L | 80.5 | Confident | 75.3 | Confident | 96 Ų | 96 | 96.6 Ų | 96.6 | 50% | 0.503 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -66.2 | -41.5 | 175 | -76.6 | 167.6 | 0 | 0 | 0 | 112.2 | L688 L689 F695 C696 | L688-L692 WeakPolarHBondContact O-CB 3.33Å; L688-L692 VanDerWaalsContact O-CG 3.31Å; L688-L692 WeakPolarHBondContact O-CG 3.23Å; L688-L692 PolarHBondContact O-N 2.81Å; L689-L692 PolarHBondContact O-N 2.83Å; L692-F695 PolarHBondContact O-N 2.83Å; L692-C696 WeakPolarHBondContact O-CB 3.43Å; L692-C696 PolarHBondContact O-N 3.39Å; L692-C696 PolarHBondContact O-SG 3.43Å |
| 693 | I | 79.8 | Confident | 73.7 | Confident | 116 Ų | 116 | 102.1 Ų | 102.1 | 60% | 0.595 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -63.2 | -47 | 175.9 | -70.6 | 163.7 | 0 | 0 | 0 | 110.2 | L689 A690 F695 C696 Y697 | L689-I693 WeakPolarHBondContact O-CB 3.25Å; L689-I693 WeakPolarHBondContact O-CD1 3.47Å; L689-I693 VanDerWaalsContact O-CG1 3.22Å; L689-I693 WeakPolarHBondContact O-CG1 3.33Å; L689-I693 PolarHBondContact O-N 2.88Å; A690-I693 PolarHBondContact O-N 2.88Å; I693-F695 PolarHBondContact O-N 2.86Å; I693-C696 PolarHBondContact O-N 2.84Å; I693-Y697 VanDerWaalsContact O-CB 3.27Å; I693-Y697 WeakPolarHBondContact O-CB 3.43Å; I693-Y697 PolarHBondContact O-N 3.38Å |
| 694 | V | 80 | Confident | 71.3 | Confident | 95 Ų | 95 | 103.7 Ų | 103.7 | 58% | 0.576 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -64.9 | -38.1 | 176.3 | 170.7 | 0 | 0 | 0 | 0 | 111.5 | A690 G691 Y697 R698 | A690-V694 WeakPolarHBondContact O-CB 3.42Å; A690-V694 VanDerWaalsContact O-CG2 3.29Å; A690-V694 WeakPolarHBondContact O-CG2 3.25Å; A690-V694 PolarHBondContact O-N 3.37Å; G691-V694 PolarHBondContact O-N 2.81Å; V694-Y697 PolarHBondContact O-N 2.85Å; V694-R698 VanDerWaalsContact O-CB 3.28Å; V694-R698 WeakPolarHBondContact O-CB 3.38Å; V694-R698 PolarHBondContact O-N 2.86Å |
| 695 | F | 73.3 | Confident | 69.2 | Low | 144 Ų | 144 | 105.1 Ų | 105.1 | 63% | 0.632 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -64.6 | -49.1 | 175.9 | -178.7 | -96.9 | 0 | 0 | 0 | 111.7 | G691 L692 I693 Y697 R698 D699 | G691-F695 WeakPolarHBondContact O-CB 3.3Å; G691-F695 PolarHBondContact O-N 3.32Å; L692-F695 PolarHBondContact O-N 2.83Å; I693-F695 PolarHBondContact O-N 2.86Å; F695-Y697 VanDerWaalsContact C-N 3.33Å; F695-Y697 PolarHBondContact O-N 3.35Å; F695-R698 PolarHBondContact O-N 2.85Å; F695-R698 VanDerWaalsContact O-N 3.16Å; F695-D699 PolarHBondContact O-N 3.32Å |
| 696 | C | 71.6 | Confident | 66.9 | Low | 78 Ų | 78 | 111.2 Ų | 111.2 | 53% | 0.527 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -62.6 | -38.7 | 175.6 | -70.2 | 0 | 0 | 0 | 0 | 112.2 | L692 I693 S700 | L692-C696 WeakPolarHBondContact O-CB 3.43Å; L692-C696 PolarHBondContact O-N 3.39Å; L692-C696 PolarHBondContact O-SG 3.43Å; I693-C696 PolarHBondContact O-N 2.84Å; C696-S700 WeakPolarHBondContact O-CB 3.36Å; C696-S700 PolarHBondContact O-N 3.33Å; C696-S700 PolarHBondContact O-OG 2.82Å |
| 697 | Y | 69.9 | Low | 64.5 | Low | 175 Ų | 175 | 118 Ų | 118 | 69% | 0.686 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -65.9 | -38.6 | 173.9 | -164 | -102.1 | 0 | 0 | 0 | 111.6 | I693 V694 F695 S700 V701 | I693-Y697 VanDerWaalsContact O-CB 3.27Å; I693-Y697 WeakPolarHBondContact O-CB 3.43Å; I693-Y697 PolarHBondContact O-N 3.38Å; V694-Y697 PolarHBondContact O-N 2.85Å; F695-Y697 VanDerWaalsContact C-N 3.33Å; F695-Y697 PolarHBondContact O-N 3.35Å; Y697-S700 WeakPolarHBondContact CA-OG 3.28Å; Y697-S700 PolarHBondContact O-OG 3.46Å; Y697-S700 VanDerWaalsContact O-OG 3.12Å; Y697-V701 HydrophobicContact CD1-CG2 4.38Å; Y697-V701 HydrophobicContact CE1-CG2 4.22Å; Y697-V701 WeakPolarHBondContact O-CB 3.18Å; Y697-V701 WeakPolarHBondContact O-CG2 3.32Å; Y697-V701 PolarHBondContact O-N 3.47Å |
| 698 | R | 64.1 | Low | 61.9 | Low | 178 Ų | 178 | 122.1 Ų | 122.1 | 67% | 0.672 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -74.8 | -38.3 | 179.6 | -156.6 | 173.9 | -174.6 | -174.5 | 0.2 | 112.9 | V694 F695 V701 L702 | V694-R698 VanDerWaalsContact O-CB 3.28Å; V694-R698 WeakPolarHBondContact O-CB 3.38Å; V694-R698 PolarHBondContact O-N 2.86Å; F695-R698 PolarHBondContact O-N 2.85Å; F695-R698 VanDerWaalsContact O-N 3.16Å; R698-V701 PolarHBondContact O-N 2.83Å; R698-L702 HydrophobicContact CG-CD1 4.14Å; R698-L702 WeakPolarHBondContact O-CB 3.3Å; R698-L702 WeakPolarHBondContact O-CG 3.43Å; R698-L702 PolarHBondContact O-N 3.26Å |
| 699 | D | 53.3 | Low | 59.3 | Low | 58 Ų | 58 | 124.4 Ų | 124.4 | 31% | 0.31 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -67.9 | -39.6 | 175 | -170.3 | 66.6 | 0 | 0 | 0 | 111.7 | F695 V701 L702 R703 | F695-D699 PolarHBondContact O-N 3.32Å; D699-V701 VanDerWaalsContact C-N 3.32Å; D699-V701 PolarHBondContact O-N 3.5Å; D699-L702 PolarHBondContact O-N 3.48Å; D699-R703 VanDerWaalsContact CG-NH1 3.32Å; D699-R703 WeakPolarHBondContact O-CB 3.31Å; D699-R703 PolarHBondContact O-N 2.91Å; D699-R703 IonicContact OD1-CZ 2.75Å; D699-R703 IonicContact OD1-NE 3.28Å; D699-R703 IonicContact OD1-NH1 2.98Å; D699-R703 PolarHBondContact OD1-NH1 3.42Å; D699-R703 VanDerWaalsContact OD1-NH1 3.15Å; D699-R703 IonicContact OD2-CZ 3.75Å; D699-R703 IonicContact OD2-NE 3.38Å; D699-R703 IonicContact OD2-NH1 3.49Å; D699-R703 PolarHBondContact OD2-NH1 3.26Å |
| 700 | S | 57.7 | Low | 56.8 | Low | 63 Ų | 63 | 126.9 Ų | 126.9 | 44% | 0.441 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -70.7 | -22.9 | 174.4 | 58.3 | 0 | 0 | 0 | 0 | 114.1 | C696 Y697 | C696-S700 WeakPolarHBondContact O-CB 3.36Å; C696-S700 PolarHBondContact O-N 3.33Å; C696-S700 PolarHBondContact O-OG 2.82Å; Y697-S700 WeakPolarHBondContact CA-OG 3.28Å; Y697-S700 PolarHBondContact O-OG 3.46Å; Y697-S700 VanDerWaalsContact O-OG 3.12Å |
| 701 | V | 52.8 | Low | 54.2 | Low | 91 Ų | 91 | 130.2 Ų | 130.2 | 55% | 0.552 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -80 | -37.5 | 168.4 | 167.1 | 0 | 0 | 0 | 0 | 111.9 | Y697 R698 D699 R703 | Y697-V701 HydrophobicContact CD1-CG2 4.38Å; Y697-V701 HydrophobicContact CE1-CG2 4.22Å; Y697-V701 WeakPolarHBondContact O-CB 3.18Å; Y697-V701 WeakPolarHBondContact O-CG2 3.32Å; Y697-V701 PolarHBondContact O-N 3.47Å; R698-V701 PolarHBondContact O-N 2.83Å; D699-V701 VanDerWaalsContact C-N 3.32Å; D699-V701 PolarHBondContact O-N 3.5Å; V701-R703 VanDerWaalsContact C-N 3.33Å; V701-R703 PolarHBondContact O-N 3.21Å |
| 702 | L | 51.3 | Low | 51.7 | Low | 132 Ų | 132 | 135.6 Ų | 135.6 | 69% | 0.691 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -72.3 | -22.2 | 176.8 | -79.9 | 162.4 | 0 | 0 | 0 | 113.5 | R698 D699 | R698-L702 HydrophobicContact CG-CD1 4.14Å; R698-L702 WeakPolarHBondContact O-CB 3.3Å; R698-L702 WeakPolarHBondContact O-CG 3.43Å; R698-L702 PolarHBondContact O-N 3.26Å; D699-L702 PolarHBondContact O-N 3.48Å |
| 703 | R | 50.4 | Low | 49.3 | Very low | 182 Ų | 182 | 139 Ų | 139 | 69% | 0.687 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101 | 35.6 | -179.7 | -71.7 | -179.6 | 160.1 | 144.5 | -4.3 | 114.9 | D699 V701 P705 | D699-R703 VanDerWaalsContact CG-NH1 3.32Å; D699-R703 WeakPolarHBondContact O-CB 3.31Å; D699-R703 PolarHBondContact O-N 2.91Å; D699-R703 IonicContact OD1-CZ 2.75Å; D699-R703 IonicContact OD1-NE 3.28Å; D699-R703 IonicContact OD1-NH1 2.98Å; D699-R703 PolarHBondContact OD1-NH1 3.42Å; D699-R703 VanDerWaalsContact OD1-NH1 3.15Å; D699-R703 IonicContact OD2-CZ 3.75Å; D699-R703 IonicContact OD2-NE 3.38Å; D699-R703 IonicContact OD2-NH1 3.49Å; D699-R703 PolarHBondContact OD2-NH1 3.26Å; V701-R703 VanDerWaalsContact C-N 3.33Å; V701-R703 PolarHBondContact O-N 3.21Å; R703-P705 WeakPolarHBondContact O-CD 3.33Å |
| 704 | K | 38.5 | Very low | 46.9 | Very low | 174 Ų | 174 | 139 Ų | 139 | 76% | 0.757 | 68% | 0.68 | S | S | * | * | trans | -108.3 | 90.2 | 166.5 | -83.1 | -172.6 | 174.6 | 178.2 | 0 | 112.3 | ||||
| 705 | P | 40.7 | Very low | 44.4 | Very low | 120 Ų | 120 | 138.7 Ų | 138.7 | 78% | 0.779 | 69% | 0.688 | S | S | * | * | trans | -68.9 | 131.7 | 172.6 | 29 | -33.7 | 0 | 0 | 0 | 111 | R703 | R703-P705 WeakPolarHBondContact O-CD 3.33Š| ||
| 706 | R | 37.8 | Very low | 43 | Very low | 244 Ų | 244 | 137.1 Ų | 137.1 | 92% | 0.921 | 69% | 0.692 | S | S | * | * | trans | -86.1 | 123.6 | 163.7 | -73.1 | 179.3 | 172.7 | 167.5 | -2.8 | 108.1 | V708 | R706-V708 PolarHBondContact O-N 3.43Š| ||
| 707 | H | 34 | Very low | 40.9 | Very low | 180 Ų | 180 | 137.9 Ų | 137.9 | 83% | 0.833 | 70% | 0.698 | S | S | * | * | trans | -100.8 | 83.6 | -168.1 | -167.6 | -72.2 | 0 | 0 | 0 | 112.9 | ||||
| 708 | V | 30.4 | Very low | 39 | Very low | 137 Ų | 137 | 135 Ų | 135 | 83% | 0.83 | 70% | 0.702 | S | S | * | * | trans | -149 | 131.3 | 176.8 | 178.7 | 0 | 0 | 0 | 0 | 108.8 | R706 | R706-V708 PolarHBondContact O-N 3.43Š| ||
| 709 | H | 30.6 | Very low | 37.3 | Very low | 158 Ų | 158 | 131.8 Ų | 131.8 | 73% | 0.731 | 71% | 0.707 | S | S | * | * | cis | -164.7 | 147.4 | -18.1 | 169.9 | 56.9 | 0 | 0 | 0 | 109.3 | ||||
| 710 | K | 30.8 | Very low | 36.1 | Very low | 152 Ų | 152 | 136 Ų | 136 | 66% | 0.661 | 73% | 0.73 | S | S | * | * | trans | 83.1 | 123.1 | 160.4 | -152.5 | 163.6 | -174.4 | 173.8 | 0 | 119.6 | ||||
| 711 | D | 28.7 | Very low | 35 | Very low | 121 Ų | 121 | 137.1 Ų | 137.1 | 65% | 0.647 | 74% | 0.738 | S | S | * | * | trans | 30.9 | 128.7 | 150.1 | -38.9 | -17.6 | 0 | 0 | 0 | 118.7 | ||||
| 712 | M | 29.2 | Very low | 34.1 | Very low | 153 Ų | 153 | 140 Ų | 140 | 75% | 0.754 | 76% | 0.756 | S | S | * | * | -172.5 | 132.6 | 63.9 | -171.3 | 67 | 80.4 | 0 | 0 | 112.9 | |||||
| 713 | E | 30.2 | Very low | 33.2 | Very low | 168 Ų | 168 | 137.3 Ų | 137.3 | 79% | 0.785 | 76% | 0.759 | S | S | * | * | trans | 36.7 | 160.5 | 143.4 | -147.4 | 160.8 | -173.8 | 0 | 0 | 125 | ||||
| 714 | S | 30.2 | Very low | 32.3 | Very low | 116 Ų | 116 | 133.7 Ų | 133.7 | 81% | 0.811 | 76% | 0.762 | S | S | * | * | trans | 87.5 | 134.3 | 162.6 | 76.8 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 715 | A | 26.5 | Very low | 32.1 | Very low | 89 Ų | 89 | 135 Ų | 135 | 74% | 0.736 | 77% | 0.768 | S | S | * | * | trans | -106.9 | -173 | 158.3 | 0 | 0 | 0 | 0 | 0 | 107 | ||||
| 716 | P | 44.2 | Very low | 31.7 | Very low | 111 Ų | 111 | 135.4 Ų | 135.4 | 72% | 0.721 | 77% | 0.768 | S | S | * | * | cis | -147.8 | -171.1 | 14 | 37.3 | -12.1 | 0 | 0 | 0 | 117.3 | ||||
| 717 | S | 28.5 | Very low | 31.3 | Very low | 93 Ų | 93 | 132.6 Ų | 132.6 | 65% | 0.65 | 76% | 0.763 | S | S | * | * | trans | 59.9 | 124.4 | 139.7 | 65.3 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 718 | C | 28.6 | Very low | 31.5 | Very low | 115 Ų | 115 | 131 Ų | 131 | 78% | 0.777 | 76% | 0.76 | S | S | * | * | 62.7 | 124.3 | 125.4 | -57.8 | 0 | 0 | 0 | 0 | 123.7 | |||||
| 719 | S | 29 | Very low | 31.4 | Very low | 111 Ų | 111 | 131 Ų | 131 | 78% | 0.776 | 76% | 0.755 | S | S | * | * | -164.5 | 118.4 | 129 | -71.1 | 0 | 0 | 0 | 0 | 105.9 | |||||
| 720 | D | 28.8 | Very low | 31.3 | Very low | 146 Ų | 146 | 125.6 Ų | 125.6 | 78% | 0.781 | 74% | 0.742 | S | S | * | * | 62.9 | 147.2 | 76.7 | -80 | -49.4 | 0 | 0 | 0 | 115.2 | |||||
| 721 | S | 33.1 | Very low | 31.2 | Very low | 87 Ų | 87 | 125 Ų | 125 | 61% | 0.608 | 75% | 0.745 | S | S | * | * | cis | 179.9 | 156.1 | -27.6 | -102.8 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 722 | T | 34 | Very low | 31.1 | Very low | 152 Ų | 152 | 127.8 Ų | 127.8 | 93% | 0.933 | 75% | 0.752 | S | S | * | * | trans | 69 | 155.1 | 170.8 | 76 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 723 | G | 33.5 | Very low | 30.9 | Very low | 74 Ų | 74 | 127.4 Ų | 127.4 | 76% | 0.763 | 75% | 0.753 | S | S | * | * | cis | 157.3 | 138.5 | -15 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 724 | S | 31.8 | Very low | 30.8 | Very low | 107 Ų | 107 | 124.2 Ų | 124.2 | 75% | 0.748 | 75% | 0.749 | S | S | * | * | trans | -173.2 | 117.9 | 161.6 | -144.8 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 725 | F | 32.9 | Very low | 31.2 | Very low | 201 Ų | 201 | 123.7 Ų | 123.7 | 88% | 0.882 | 74% | 0.743 | S | S | * | * | 56.1 | 132.7 | 93.1 | -67.5 | -66 | 0 | 0 | 0 | 114.8 | |||||
| 726 | V | 34 | Very low | 31 | Very low | 129 Ų | 129 | 124.9 Ų | 124.9 | 78% | 0.782 | 74% | 0.741 | S | S | * | * | cis | -144.1 | 157.5 | 21.2 | 178.2 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 727 | K | 29.3 | Very low | 30.2 | Very low | 185 Ų | 185 | 126.5 Ų | 126.5 | 80% | 0.804 | 74% | 0.737 | S | S | * | * | trans | -26.1 | 152.5 | 157.9 | -75 | 174.9 | 169.8 | 175.3 | 0 | 116.1 | ||||
| 728 | L | 37 | Very low | 30 | Very low | 147 Ų | 147 | 129.2 Ų | 129.2 | 77% | 0.77 | 74% | 0.739 | S | S | * | * | cis | -127.9 | -175.5 | 9.7 | -75.8 | 179 | 0 | 0 | 0 | 110 | ||||
| 729 | N | 27.8 | Very low | 29.8 | Very low | 136 Ų | 136 | 132.9 Ų | 132.9 | 73% | 0.727 | 74% | 0.738 | S | S | * | * | cis | -144.4 | -167.4 | 6.9 | -137.9 | 24.2 | 0 | 0 | 0 | 108.3 | ||||
| 730 | G | 28.3 | Very low | 29.6 | Very low | 45 Ų | 45 | 133.9 Ų | 133.9 | 46% | 0.464 | 73% | 0.73 | S | S | . | * | cis | 117 | 58.2 | 3.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 731 | L | 30.2 | Very low | 29.6 | Very low | 140 Ų | 140 | 131.6 Ų | 131.6 | 73% | 0.733 | 72% | 0.722 | S | S | * | * | 81.9 | 136.9 | 55.9 | -91.8 | 169 | 0 | 0 | 0 | 114.7 | |||||
| 732 | F | 26.6 | Very low | 29.2 | Very low | 179 Ų | 179 | 133.6 Ų | 133.6 | 79% | 0.785 | 73% | 0.726 | S | S | * | * | trans | 66.7 | 154.9 | 179.3 | -52.5 | -74.1 | 0 | 0 | 0 | 114.5 | ||||
| 733 | D | 24.4 | Very low | 28.9 | Very low | 144 Ų | 144 | 132.8 Ų | 132.8 | 77% | 0.77 | 71% | 0.714 | S | S | * | * | cis | -149.7 | -172.8 | 3.5 | -142 | -34.9 | 0 | 0 | 0 | 112.1 | ||||
| 734 | S | 28.6 | Very low | 28.5 | Very low | 101 Ų | 101 | 136.2 Ų | 136.2 | 71% | 0.706 | 72% | 0.715 | S | S | * | * | trans | -66.7 | 173.1 | 159.5 | -132.7 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 735 | P | 38.5 | Very low | 28.4 | Very low | 105 Ų | 105 | 136 Ų | 136 | 68% | 0.682 | 71% | 0.713 | S | S | * | * | cis | -144.7 | -156.2 | 14.9 | 38.4 | -13.2 | 0 | 0 | 0 | 115 | ||||
| 736 | V | 22.1 | Very low | 28.8 | Very low | 114 Ų | 114 | 131.4 Ų | 131.4 | 69% | 0.691 | 70% | 0.703 | S | S | * | * | trans | 42.2 | 111.8 | 142.3 | 164.3 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 737 | K | 27.3 | Very low | 28.4 | Very low | 146 Ų | 146 | 133.6 Ų | 133.6 | 64% | 0.635 | 70% | 0.702 | S | S | * | * | 68.1 | 156.5 | 81.6 | -158.5 | -157.1 | 177.2 | -158.2 | 0 | 113 | |||||
| 738 | E | 23.6 | Very low | 28.2 | Very low | 149 Ų | 149 | 131.3 Ų | 131.3 | 70% | 0.696 | 70% | 0.698 | S | S | * | * | trans | 72.1 | 157.3 | 175.1 | -74.1 | 170 | -148.8 | 0 | 0 | 115.5 | ||||
| 739 | Y | 24.9 | Very low | 27.7 | Very low | 192 Ų | 192 | 132.2 Ų | 132.2 | 75% | 0.753 | 70% | 0.696 | S | S | * | * | cis | -162.6 | 175.5 | -36.1 | -150.9 | -120 | 0 | 0 | 0 | 107.8 | ||||
| 740 | Q | 25.2 | Very low | 27.7 | Very low | 133 Ų | 133 | 131 Ų | 131 | 62% | 0.621 | 69% | 0.694 | S | S | * | * | trans | 65.5 | 119.3 | 146.8 | -128.7 | 41.7 | 7.8 | 0 | 0 | 123.1 | ||||
| 741 | T | 29.3 | Very low | 27.6 | Very low | 98 Ų | 98 | 135.1 Ų | 135.1 | 60% | 0.601 | 71% | 0.705 | S | S | * | * | trans | 78.2 | 133.9 | 131.8 | 45.5 | 0 | 0 | 0 | 0 | 124.8 | ||||
| 742 | N | 24.6 | Very low | 27.8 | Very low | 129 Ų | 129 | 135.5 Ų | 135.5 | 69% | 0.69 | 71% | 0.708 | S | S | * | * | 92.2 | 123.4 | 127.6 | -82.2 | -12.2 | 0 | 0 | 0 | 122.2 | |||||
| 743 | I | 27 | Very low | 28 | Very low | 134 Ų | 134 | 134.5 Ų | 134.5 | 69% | 0.687 | 71% | 0.71 | S | S | * | * | 86.4 | 140.7 | 128.1 | -70.6 | 171.9 | 0 | 0 | 0 | 118.9 | |||||
| 744 | D | 25.1 | Very low | 28.3 | Very low | 147 Ų | 147 | 131.4 Ų | 131.4 | 79% | 0.786 | 70% | 0.699 | S | S | * | * | trans | 59 | 115.3 | 163.4 | -67.8 | -10.6 | 0 | 0 | 0 | 122.4 | ||||
| 745 | S | 29.6 | Very low | 28.2 | Very low | 102 Ų | 102 | 134.2 Ų | 134.2 | 71% | 0.713 | 71% | 0.706 | S | S | * | * | trans | -61.2 | 155.9 | 139.4 | 68.5 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 746 | P | 41.3 | Very low | 27.9 | Very low | 104 Ų | 104 | 132.4 Ų | 132.4 | 68% | 0.675 | 71% | 0.707 | S | S | * | * | cis | -150.5 | -160.9 | 39.5 | 33.1 | -7.3 | 0 | 0 | 0 | 115.1 | ||||
| 747 | K | 24.9 | Very low | 28.3 | Very low | 175 Ų | 175 | 135.6 Ų | 135.6 | 76% | 0.761 | 71% | 0.711 | S | S | * | * | trans | 97.6 | 110.5 | 155.4 | -68 | 170.4 | -178.2 | 173.4 | 0 | 119.8 | ||||
| 748 | L | 27 | Very low | 28.4 | Very low | 137 Ų | 137 | 134.1 Ų | 134.1 | 72% | 0.717 | 71% | 0.71 | S | S | * | * | 80.4 | 123.4 | 127.2 | -62.5 | 172.2 | 0 | 0 | 0 | 120.8 | |||||
| 749 | F | 25.4 | Very low | 28.9 | Very low | 166 Ų | 166 | 133.9 Ų | 133.9 | 73% | 0.728 | 71% | 0.713 | S | S | * | * | trans | 60 | 128.9 | 150.8 | -68.2 | -59.1 | 0 | 0 | 0 | 118.3 | ||||
| 750 | T | 27.8 | Very low | 29 | Very low | 112 Ų | 112 | 129 Ų | 129 | 69% | 0.687 | 71% | 0.707 | S | S | * | * | cis | 70.2 | 128.6 | 15 | -27.7 | 0 | 0 | 0 | 0 | 116 | ||||
| 751 | N | 27.4 | Very low | 29 | Very low | 130 Ų | 130 | 129 Ų | 129 | 70% | 0.695 | 72% | 0.716 | S | S | * | * | trans | 74.6 | 157.3 | -178.6 | -44.4 | -61.5 | 0 | 0 | 0 | 113.3 | ||||
| 752 | L | 32.4 | Very low | 30.2 | Very low | 149 Ų | 149 | 129.4 Ų | 129.4 | 78% | 0.78 | 72% | 0.721 | S | S | * | * | cis | -115.3 | 170.3 | 13.3 | -64.6 | 151.6 | 0 | 0 | 0 | 110.5 | ||||
| 753 | L | 32.4 | Very low | 30.4 | Very low | 158 Ų | 158 | 131.2 Ų | 131.2 | 83% | 0.827 | 73% | 0.73 | S | S | * | * | cis | -159.4 | 154.5 | 46.9 | -69 | 158.3 | 0 | 0 | 0 | 108.5 | ||||
| 754 | S | 30.6 | Very low | 30.5 | Very low | 79 Ų | 79 | 128.5 Ų | 128.5 | 55% | 0.552 | 74% | 0.735 | S | S | * | * | cis | -165.1 | 143.9 | -7.4 | -93.1 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 755 | N | 26.8 | Very low | 30.7 | Very low | 159 Ų | 159 | 128.4 Ų | 128.4 | 85% | 0.85 | 74% | 0.735 | S | S | * | * | trans | 50.4 | 146.6 | 148.2 | -54.1 | -13.6 | 0 | 0 | 0 | 121.3 | ||||
| 756 | G | 32.3 | Very low | 31 | Very low | 67 Ų | 67 | 128.4 Ų | 128.4 | 69% | 0.691 | 73% | 0.731 | S | S | * | * | cis | 135.8 | 144.2 | 0.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 757 | K | 28.9 | Very low | 30.6 | Very low | 182 Ų | 182 | 131.8 Ų | 131.8 | 79% | 0.791 | 74% | 0.735 | S | S | * | * | trans | 83.6 | 156.4 | -163.2 | -64.4 | -163.1 | 141 | -69.2 | 0 | 113.9 | ||||
| 758 | D | 30.7 | Very low | 30.9 | Very low | 114 Ų | 114 | 128.3 Ų | 128.3 | 61% | 0.61 | 73% | 0.728 | S | S | * | * | cis | -165.8 | -175.3 | -11 | -103.2 | 6.9 | 0 | 0 | 0 | 107 | ||||
| 759 | L | 32.6 | Very low | 30.7 | Very low | 144 Ų | 144 | 129.5 Ų | 129.5 | 75% | 0.754 | 73% | 0.732 | S | S | * | * | -163.7 | 147 | -58.6 | -165.3 | 77.8 | 0 | 0 | 0 | 109.1 | |||||
| 760 | S | 27.6 | Very low | 30.7 | Very low | 91 Ų | 91 | 127.9 Ų | 127.9 | 64% | 0.636 | 73% | 0.73 | S | S | * | * | trans | 63.8 | 109.3 | 156.3 | 49.4 | 0 | 0 | 0 | 0 | 124 | ||||
| 761 | T | 25.6 | Very low | 30.5 | Very low | 131 Ų | 131 | 129.8 Ų | 129.8 | 80% | 0.804 | 74% | 0.735 | S | S | * | * | 29.6 | 159.7 | 115.9 | 53.2 | 0 | 0 | 0 | 0 | 123.6 | |||||
| 762 | P | 55.2 | Low | 30.3 | Very low | 107 Ų | 107 | 133.5 Ų | 133.5 | 70% | 0.695 | 74% | 0.739 | S | S | * | * | cis | -140.3 | -165.6 | -4.6 | 35.6 | -12.4 | 0 | 0 | 0 | 116.9 | ||||
| 763 | N | 28.5 | Very low | 29.9 | Very low | 167 Ų | 167 | 132.6 Ų | 132.6 | 89% | 0.893 | 74% | 0.735 | S | S | * | * | trans | 84.9 | 144 | 162.6 | -69.4 | -0.4 | 0 | 0 | 0 | 120.5 | ||||
| 764 | G | 29.4 | Very low | 29.5 | Very low | 77 Ų | 77 | 128.3 Ų | 128.3 | 79% | 0.794 | 73% | 0.729 | S | S | * | * | trans | 134.2 | 66.2 | 158.6 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 765 | D | 29.1 | Very low | 29.3 | Very low | 146 Ų | 146 | 131.2 Ų | 131.2 | 78% | 0.781 | 75% | 0.748 | S | S | * | * | trans | 22.3 | 117.8 | 152.2 | -77.3 | -30.6 | 0 | 0 | 0 | 123.7 | ||||
| 766 | T | 34.4 | Very low | 29.4 | Very low | 101 Ų | 101 | 132.3 Ų | 132.3 | 62% | 0.62 | 75% | 0.748 | S | S | * | * | 53 | 147.6 | 124.2 | 68.5 | 0 | 0 | 0 | 0 | 122.1 | |||||
| 767 | K | 33.5 | Very low | 29.8 | Very low | 176 Ų | 176 | 134 Ų | 134 | 77% | 0.765 | 75% | 0.747 | S | S | * | * | cis | -175.2 | 176.8 | 5.6 | -105.4 | 164 | -165 | 153.8 | 0 | 105.9 | ||||
| 768 | T | 30.3 | Very low | 30.5 | Very low | 101 Ų | 101 | 130 Ų | 130 | 62% | 0.62 | 74% | 0.739 | S | S | * | * | cis | -164.5 | 146.3 | -2.5 | 13.7 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 769 | M | 24.2 | Very low | 30.4 | Very low | 163 Ų | 163 | 132.9 Ų | 132.9 | 80% | 0.803 | 75% | 0.749 | S | S | * | * | trans | 67.2 | 173.5 | 139.2 | -70.3 | -176.2 | 173.9 | 0 | 0 | 120.6 | ||||
| 770 | I | 25.1 | Very low | 30.2 | Very low | 132 Ų | 132 | 133.5 Ų | 133.5 | 68% | 0.677 | 75% | 0.752 | S | S | * | * | cis | -179.7 | 152.4 | -49.4 | -106.9 | 174.7 | 0 | 0 | 0 | 107.5 | ||||
| 771 | L | 23 | Very low | 30.3 | Very low | 151 Ų | 151 | 133.4 Ų | 133.4 | 79% | 0.791 | 76% | 0.757 | S | S | * | * | trans | 63.6 | 157.4 | 178.2 | -96.1 | 67.9 | 0 | 0 | 0 | 114.2 | ||||
| 772 | R | 23.3 | Very low | 30.4 | Very low | 209 Ų | 209 | 131.2 Ų | 131.2 | 79% | 0.789 | 75% | 0.752 | S | S | * | * | cis | 69.5 | 141.8 | 41.4 | -104 | -172.9 | 152 | 153.9 | 1.9 | 112.8 | ||||
| 773 | D | 24.1 | Very low | 29.3 | Very low | 129 Ų | 129 | 134.1 Ų | 134.1 | 69% | 0.69 | 76% | 0.761 | S | S | * | * | cis | -150.5 | 169.7 | 13.1 | -118.2 | -44.8 | 0 | 0 | 0 | 110.8 | ||||
| 774 | G | 25.2 | Very low | 29.4 | Very low | 68 Ų | 68 | 132.1 Ų | 132.1 | 70% | 0.701 | 76% | 0.757 | S | S | * | * | trans | 82.2 | 98.7 | 145.5 | 0 | 0 | 0 | 0 | 0 | 121 | ||||
| 775 | C | 26 | Very low | 29.4 | Very low | 141 Ų | 141 | 134.6 Ų | 134.6 | 95% | 0.953 | 76% | 0.757 | S | S | * | * | -168.1 | 154 | 109.2 | -107.4 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 776 | Q | 27.7 | Very low | 30.1 | Very low | 181 Ų | 181 | 133.1 Ų | 133.1 | 85% | 0.846 | 76% | 0.755 | S | S | * | * | trans | -157.1 | 178.1 | -170.8 | -118.3 | -165.2 | 6.2 | 0 | 0 | 107.8 | ||||
| 777 | P | 41.3 | Very low | 29.7 | Very low | 104 Ų | 104 | 136.7 Ų | 136.7 | 68% | 0.675 | 77% | 0.765 | S | S | * | * | cis | -124 | -144.4 | -26.1 | 38.9 | -18.9 | 0 | 0 | 0 | 107.8 | ||||
| 778 | P | 43.7 | Very low | 29.4 | Very low | 96 Ų | 96 | 132.8 Ų | 132.8 | 62% | 0.623 | 76% | 0.76 | S | S | * | * | cis | -133 | 165.4 | -14.4 | 40.3 | -23 | 0 | 0 | 0 | 117.2 | ||||
| 779 | E | 27.6 | Very low | 29.6 | Very low | 175 Ų | 175 | 134.6 Ų | 134.6 | 82% | 0.818 | 77% | 0.771 | S | S | * | * | trans | 58 | 150.3 | 144.5 | -71.4 | 178.4 | 136.9 | 0 | 0 | 121.5 | ||||
| 780 | L | 29.7 | Very low | 30.1 | Very low | 158 Ų | 158 | 132 Ų | 132 | 83% | 0.827 | 77% | 0.766 | S | S | * | * | cis | -123 | 160.2 | 8.1 | -79.5 | 86.6 | 0 | 0 | 0 | 113.6 | ||||
| 781 | A | 29.8 | Very low | 30 | Very low | 89 Ų | 89 | 131.5 Ų | 131.5 | 74% | 0.736 | 77% | 0.769 | S | S | * | * | trans | -75 | 157 | 163.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 782 | A | 27.9 | Very low | 30.1 | Very low | 85 Ų | 85 | 132.7 Ų | 132.7 | 70% | 0.702 | 78% | 0.775 | S | S | * | * | cis | 85.6 | 104.2 | 25.1 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 783 | L | 30.7 | Very low | 30.2 | Very low | 167 Ų | 167 | 131.4 Ų | 131.4 | 87% | 0.874 | 78% | 0.778 | S | S | * | * | trans | 66.1 | 151.5 | 159.4 | -58.1 | 173.7 | 0 | 0 | 0 | 119.5 | ||||
| 784 | P | 31.6 | Very low | 30.6 | Very low | 125 Ų | 125 | 134.5 Ų | 134.5 | 81% | 0.812 | 79% | 0.788 | S | S | * | * | -130.8 | 160.4 | 128.8 | 38.2 | -31.3 | 0 | 0 | 0 | 114 | |||||
| 785 | T | 28.7 | Very low | 30.5 | Very low | 130 Ų | 130 | 140.6 Ų | 140.6 | 80% | 0.798 | 80% | 0.796 | S | S | * | * | trans | -78.9 | 162.5 | 172.8 | 43.8 | 0 | 0 | 0 | 0 | 113 | ||||
| 786 | P | 43.4 | Very low | 30.4 | Very low | 115 Ų | 115 | 138.4 Ų | 138.4 | 75% | 0.747 | 78% | 0.782 | S | S | * | * | trans | -73.7 | 162.6 | 168.7 | 34.1 | -37.4 | 0 | 0 | 0 | 111.8 | ||||
| 787 | E | 27.6 | Very low | 30.3 | Very low | 176 Ų | 176 | 137.4 Ų | 137.4 | 82% | 0.822 | 78% | 0.781 | S | S | * | * | trans | -173.4 | 161 | 146.3 | -105.2 | -63.7 | 146.4 | 0 | 0 | 112.9 | ||||
| 788 | S | 26.9 | Very low | 29.6 | Very low | 93 Ų | 93 | 140.8 Ų | 140.8 | 65% | 0.65 | 79% | 0.788 | S | S | * | * | trans | -42.6 | 154.1 | -175.4 | -56.6 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 789 | T | 35 | Very low | 28.9 | Very low | 139 Ų | 139 | 141 Ų | 141 | 85% | 0.853 | 79% | 0.79 | S | S | * | * | trans | -84.5 | 146.2 | 158.3 | -40.9 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 790 | P | 32.9 | Very low | 28.8 | Very low | 109 Ų | 109 | 140.2 Ų | 140.2 | 71% | 0.708 | 79% | 0.79 | S | S | * | * | trans | -138.5 | 132.7 | 147.3 | 34.7 | -19.8 | 0 | 0 | 0 | 116.3 | ||||
| 791 | V | 24.7 | Very low | 28.7 | Very low | 121 Ų | 121 | 140.8 Ų | 140.8 | 73% | 0.733 | 79% | 0.785 | S | S | * | * | trans | 37.4 | 122 | 137.7 | -171.8 | 0 | 0 | 0 | 0 | 120.2 | Q793 | V791-Q793 HydrophobicContact CG1-CG 3.99Š| ||
| 792 | L | 24.7 | Very low | 28.6 | Very low | 177 Ų | 177 | 143.1 Ų | 143.1 | 93% | 0.927 | 79% | 0.785 | S | S | * | * | trans | -98.6 | 132 | 151.1 | -91.2 | 166.2 | 0 | 0 | 0 | 110.6 | ||||
| 793 | Q | 24.4 | Very low | 28.5 | Very low | 181 Ų | 181 | 145.7 Ų | 145.7 | 85% | 0.846 | 78% | 0.783 | S | S | * | * | trans | -130.3 | 142.7 | 162.8 | -81 | -164.5 | -4.8 | 0 | 0 | 110.6 | V791 | V791-Q793 HydrophobicContact CG1-CG 3.99Š| ||
| 794 | Q | 32.5 | Very low | 28.4 | Very low | 194 Ų | 194 | 148 Ų | 148 | 91% | 0.907 | 78% | 0.78 | S | S | * | * | trans | -99.8 | 134.3 | 170.9 | -71.1 | -175.8 | -38.8 | 0 | 0 | 111.1 | ||||
| 795 | K | 24.3 | Very low | 28.1 | Very low | 197 Ų | 197 | 150.4 Ų | 150.4 | 86% | 0.857 | 78% | 0.781 | S | S | * | * | trans | -157.1 | 124.2 | 147.9 | -129.2 | 174.5 | -177.3 | 173.7 | 0 | 114.7 | ||||
| 796 | S | 22.8 | Very low | 28.2 | Very low | 94 Ų | 94 | 152 Ų | 152 | 66% | 0.657 | 78% | 0.776 | S | S | * | * | trans | 40.7 | 118.5 | 145.3 | 60.4 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 797 | L | 25.9 | Very low | 27.4 | Very low | 160 Ų | 160 | 151.2 Ų | 151.2 | 84% | 0.838 | 78% | 0.78 | S | S | * | * | 172.5 | 108.9 | 110.3 | -87.1 | 163.2 | 0 | 0 | 0 | 107.8 | |||||
| 798 | Q | 25.8 | Very low | 27.5 | Very low | 175 Ų | 175 | 151.7 Ų | 151.7 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | 66 | 133.2 | 90.9 | -76.1 | -71.8 | -19.1 | 0 | 0 | 115.1 | |||||
| 799 | P | 30 | Very low | 27.6 | Very low | 102 Ų | 102 | 151 Ų | 151 | 66% | 0.662 | 79% | 0.79 | S | S | * | * | trans | -108 | 163.5 | -163.4 | 41.4 | -34 | 0 | 0 | 0 | 115 | ||||
| 800 | I | 25.8 | Very low | 27.4 | Very low | 158 Ų | 158 | 154.3 Ų | 154.3 | 81% | 0.81 | 79% | 0.792 | S | S | * | * | trans | -163.3 | 112.8 | 152.6 | -93.3 | 136.4 | 0 | 0 | 0 | 104.5 | ||||
| 801 | K | 26.4 | Very low | 27.2 | Very low | 170 Ų | 170 | 155.8 Ų | 155.8 | 74% | 0.739 | 80% | 0.799 | S | S | * | * | 71.7 | 117.7 | 64.2 | -172.4 | -174.1 | 178.8 | -175.6 | 0 | 113 | |||||
| 802 | N | 27.7 | Very low | 27.3 | Very low | 137 Ų | 137 | 155.5 Ų | 155.5 | 73% | 0.733 | 80% | 0.802 | S | S | * | * | trans | 178.2 | 158.5 | 136.8 | -86.8 | -17 | 0 | 0 | 0 | 108.7 | ||||
| 803 | Q | 27 | Very low | 27.5 | Very low | 139 Ų | 139 | 150.6 Ų | 150.6 | 65% | 0.65 | 79% | 0.794 | S | S | * | * | cis | 158.4 | 114.4 | -29.3 | 171.3 | -176.8 | 17.4 | 0 | 0 | 105.8 | ||||
| 804 | W | 27.3 | Very low | 28.5 | Very low | 215 Ų | 215 | 147.6 Ų | 147.6 | 81% | 0.814 | 79% | 0.79 | S | S | * | * | trans | -150.5 | 152.6 | 150.5 | -115.3 | -94 | 0 | 0 | 0 | 104.9 | ||||
| 805 | E | 25.7 | Very low | 28.3 | Very low | 177 Ų | 177 | 149.6 Ų | 149.6 | 83% | 0.827 | 79% | 0.79 | S | S | * | * | cis | -120.2 | -166 | 18.8 | -57.2 | -166.2 | 88.3 | 0 | 0 | 115 | ||||
| 806 | K | 30.5 | Very low | 28.5 | Very low | 163 Ų | 163 | 148.8 Ų | 148.8 | 71% | 0.709 | 79% | 0.786 | S | S | * | * | trans | -107.8 | 152 | -174.3 | -58.7 | 170.5 | -179.3 | 171 | 0 | 112 | ||||
| 807 | A | 26.5 | Very low | 28.8 | Very low | 99 Ų | 99 | 151.7 Ų | 151.7 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | trans | -137.4 | 156.3 | 145.4 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 808 | H | 30.6 | Very low | 29 | Very low | 185 Ų | 185 | 148.8 Ų | 148.8 | 86% | 0.856 | 79% | 0.788 | S | S | * | * | trans | -95.6 | 150.6 | -167.5 | -84.8 | -122.3 | 0 | 0 | 0 | 114.2 | ||||
| 809 | G | 28.8 | Very low | 29.2 | Very low | 80 Ų | 80 | 148 Ų | 148 | 83% | 0.825 | 79% | 0.789 | S | S | * | * | trans | 177.9 | 98.2 | 168.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 810 | K | 31 | Very low | 30.1 | Very low | 208 Ų | 208 | 149.1 Ų | 149.1 | 90% | 0.904 | 80% | 0.797 | S | S | * | * | trans | -105.5 | 147.4 | 164.8 | -78.1 | -176.6 | 174.8 | -179.4 | 0 | 108.9 | ||||
| 811 | V | 28.7 | Very low | 30.3 | Very low | 140 Ų | 140 | 146.7 Ų | 146.7 | 85% | 0.848 | 79% | 0.794 | S | S | * | * | trans | -171.9 | 150.6 | 134.7 | 136.7 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 812 | S | 27.1 | Very low | 30.6 | Very low | 115 Ų | 115 | 142.7 Ų | 142.7 | 80% | 0.804 | 79% | 0.793 | S | S | * | * | trans | -26.6 | 157.2 | -177.6 | 60 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 813 | G | 28.3 | Very low | 30.7 | Very low | 73 Ų | 73 | 145.7 Ų | 145.7 | 75% | 0.753 | 80% | 0.799 | S | S | * | * | trans | 152.7 | 112.5 | 144.8 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 814 | P | 45.4 | Very low | 30.8 | Very low | 118 Ų | 118 | 144.6 Ų | 144.6 | 77% | 0.766 | 81% | 0.807 | S | S | * | * | trans | -122.2 | 177.6 | -176 | 41.8 | -31.8 | 0 | 0 | 0 | 116.7 | ||||
| 815 | R | 28.7 | Very low | 31.9 | Very low | 237 Ų | 237 | 139.2 Ų | 139.2 | 89% | 0.894 | 80% | 0.8 | S | S | * | * | trans | 94.1 | 151 | 175.1 | -60.2 | 172.6 | 169.3 | 162.2 | -3.1 | 114.9 | ||||
| 816 | K | 28.6 | Very low | 32.1 | Very low | 180 Ų | 180 | 138.4 Ų | 138.4 | 78% | 0.783 | 80% | 0.796 | S | S | * | * | cis | -142 | -173 | 9.8 | -144.4 | 178.5 | 172.8 | -168.5 | 0 | 113.7 | ||||
| 817 | E | 28.3 | Very low | 32 | Very low | 155 Ų | 155 | 138.8 Ų | 138.8 | 72% | 0.724 | 80% | 0.798 | S | S | * | * | trans | -99.7 | 155.8 | -150.8 | -57.1 | 137.4 | 119.2 | 0 | 0 | 117.2 | ||||
| 818 | A | 30 | Very low | 31.9 | Very low | 99 Ų | 99 | 140.7 Ų | 140.7 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | trans | 67 | 147.1 | 136.5 | 0 | 0 | 0 | 0 | 0 | 124.8 | ||||
| 819 | N | 30.5 | Very low | 31.7 | Very low | 157 Ų | 157 | 136.9 Ų | 136.9 | 84% | 0.84 | 79% | 0.788 | S | S | * | * | trans | -73.1 | 178.2 | 163.7 | -64.5 | -30.4 | 0 | 0 | 0 | 111.1 | ||||
| 820 | P | 48.8 | Very low | 31.6 | Very low | 126 Ų | 126 | 138.4 Ų | 138.4 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | cis | -142.8 | -156 | 17.2 | 44 | -21.8 | 0 | 0 | 0 | 116.5 | ||||
| 821 | S | 31.1 | Very low | 31.8 | Very low | 108 Ų | 108 | 133.8 Ų | 133.8 | 76% | 0.755 | 78% | 0.779 | S | S | * | * | trans | -73.1 | 152.3 | -172.5 | 55.9 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 822 | A | 32 | Very low | 32.9 | Very low | 85 Ų | 85 | 133.4 Ų | 133.4 | 70% | 0.702 | 78% | 0.78 | S | S | * | * | 156.1 | 145.6 | 106.8 | 0 | 0 | 0 | 0 | 0 | 118 | |||||
| 823 | K | 29.3 | Very low | 33.3 | Very low | 200 Ų | 200 | 132.5 Ų | 132.5 | 87% | 0.87 | 78% | 0.78 | S | S | * | * | trans | 80.5 | 116.6 | 147.1 | -75.6 | 170.7 | 178.9 | -179.5 | 0 | 125 | ||||
| 824 | S | 29.6 | Very low | 34.8 | Very low | 117 Ų | 117 | 135.1 Ų | 135.1 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | trans | 71.2 | 166.9 | 134.5 | -98.2 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 825 | P | 50.5 | Low | 34.2 | Very low | 101 Ų | 101 | 133.1 Ų | 133.1 | 66% | 0.656 | 78% | 0.777 | S | S | * | * | cis | -137.7 | 168.9 | -7.3 | 36.1 | -16.2 | 0 | 0 | 0 | 118.7 | ||||
| 826 | Q | 29.7 | Very low | 34.4 | Very low | 160 Ų | 160 | 128.9 Ų | 128.9 | 75% | 0.748 | 77% | 0.772 | S | S | * | * | trans | 50.6 | 133.6 | 147.1 | -66.8 | 170.4 | -16.8 | 0 | 0 | 124.7 | ||||
| 827 | F | 27.6 | Very low | 34.6 | Very low | 172 Ų | 172 | 125.9 Ų | 125.9 | 75% | 0.754 | 77% | 0.769 | S | S | * | * | 169.2 | 140.3 | 107.3 | -102.9 | -85.3 | 0 | 0 | 0 | 116.9 | |||||
| 828 | L | 26 | Very low | 34.7 | Very low | 139 Ų | 139 | 124 Ų | 124 | 73% | 0.728 | 77% | 0.772 | S | S | * | * | trans | 5.1 | 133.7 | 158 | -61.5 | 177.5 | 0 | 0 | 0 | 122.6 | ||||
| 829 | S | 24.9 | Very low | 34.9 | Very low | 105 Ų | 105 | 123.9 Ų | 123.9 | 73% | 0.734 | 77% | 0.766 | S | S | * | * | 106.4 | 162 | 78.9 | -77.3 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 830 | S | 28.6 | Very low | 34.8 | Very low | 112 Ų | 112 | 123.9 Ų | 123.9 | 78% | 0.783 | 77% | 0.766 | S | S | * | * | cis | -168.9 | 175.1 | -17 | 51.4 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 831 | S | 33.9 | Very low | 34 | Very low | 110 Ų | 110 | 125.1 Ų | 125.1 | 77% | 0.769 | 76% | 0.761 | S | S | * | * | trans | -87.6 | -172.4 | -179.7 | -40.8 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 832 | P | 52.3 | Low | 34.7 | Very low | 133 Ų | 133 | 125.5 Ų | 125.5 | 86% | 0.864 | 76% | 0.76 | S | S | * | * | -140.3 | 179.2 | 116.7 | 37.5 | -23.4 | 0 | 0 | 0 | 116.1 | |||||
| 833 | A | 34.7 | Very low | 34.6 | Very low | 96 Ų | 96 | 128.5 Ų | 128.5 | 79% | 0.793 | 76% | 0.76 | S | S | * | * | trans | -127.7 | -141.6 | -167.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 834 | P | 59.3 | Low | 34.5 | Very low | 127 Ų | 127 | 127 Ų | 127 | 83% | 0.825 | 76% | 0.759 | S | S | * | * | cis | -120.4 | -152.7 | 12.2 | 36.5 | -12.6 | 0 | 0 | 0 | 112.1 | ||||
| 835 | A | 33.3 | Very low | 34.4 | Very low | 77 Ų | 77 | 125.1 Ų | 125.1 | 64% | 0.636 | 75% | 0.751 | S | S | * | * | cis | -160.9 | 166 | 5.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 836 | N | 33.3 | Very low | 33.4 | Very low | 148 Ų | 148 | 129 Ų | 129 | 79% | 0.791 | 77% | 0.765 | S | S | * | * | trans | 43.5 | 139.2 | 138.1 | -64.5 | 11.3 | 0 | 0 | 0 | 123.1 | ||||
| 837 | T | 32.8 | Very low | 33.4 | Very low | 116 Ų | 116 | 125.2 Ų | 125.2 | 71% | 0.712 | 77% | 0.769 | S | S | * | * | cis | -162.7 | 161 | 2.4 | 5.8 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 838 | S | 31.5 | Very low | 33.5 | Very low | 115 Ų | 115 | 126.1 Ų | 126.1 | 80% | 0.804 | 78% | 0.775 | S | S | * | * | trans | 67.1 | 143.8 | 162.4 | 59.4 | 0 | 0 | 0 | 0 | 119 | ||||
| 839 | S | 32.4 | Very low | 33.8 | Very low | 98 Ų | 98 | 123.5 Ų | 123.5 | 69% | 0.685 | 77% | 0.769 | S | S | * | * | cis | -158.1 | 146.6 | -4.7 | 49.5 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 840 | N | 28.8 | Very low | 34 | Very low | 157 Ų | 157 | 127.4 Ų | 127.4 | 84% | 0.84 | 78% | 0.775 | S | S | * | * | trans | 75.3 | 116.7 | 148.6 | -62.9 | -0.2 | 0 | 0 | 0 | 123.5 | ||||
| 841 | H | 31.5 | Very low | 34.5 | Very low | 152 Ų | 152 | 129.8 Ų | 129.8 | 70% | 0.704 | 78% | 0.777 | S | S | * | * | trans | -55 | -174.4 | 157.7 | -62 | -73.8 | 0 | 0 | 0 | 115.4 | H843 | H841-H843 AromaticContact CE1-CD2 3.98Å; H841-H843 AromaticContact CE1-NE2 3.35Å; H841-H843 PolarHBondContact CE1-NE2 2.99Å; H841-H843 AromaticContact CG-CD2 3.9Å; H841-H843 AromaticContact ND1-CD2 3.2Å; H841-H843 PolarHBondContact ND1-CD2 3.39Å; H841-H843 AromaticContact ND1-NE2 2.93Å; H841-H843 PolarHBondContact ND1-NE2 3.16Å | ||
| 842 | P | 47.1 | Very low | 34.7 | Very low | 116 Ų | 116 | 130.3 Ų | 130.3 | 75% | 0.753 | 78% | 0.778 | S | S | * | * | cis | -121.5 | 157.5 | -1.7 | 13.2 | 13.3 | 0 | 0 | 0 | 114.3 | ||||
| 843 | H | 29.6 | Very low | 33.4 | Very low | 148 Ų | 148 | 129.7 Ų | 129.7 | 69% | 0.685 | 78% | 0.777 | S | S | * | * | 90.4 | 157.5 | 51.5 | -75.9 | -54.2 | 0 | 0 | 0 | 116.6 | H841 | H841-H843 AromaticContact CE1-CD2 3.98Å; H841-H843 AromaticContact CE1-NE2 3.35Å; H841-H843 PolarHBondContact CE1-NE2 2.99Å; H841-H843 AromaticContact CG-CD2 3.9Å; H841-H843 AromaticContact ND1-CD2 3.2Å; H841-H843 PolarHBondContact ND1-CD2 3.39Å; H841-H843 AromaticContact ND1-NE2 2.93Å; H841-H843 PolarHBondContact ND1-NE2 3.16Å | |||
| 844 | I | 26.7 | Very low | 33.2 | Very low | 167 Ų | 167 | 129.4 Ų | 129.4 | 86% | 0.856 | 77% | 0.774 | S | S | * | * | trans | 87.7 | 133.8 | 174.9 | -54.7 | 172.8 | 0 | 0 | 0 | 115.1 | ||||
| 845 | A | 28.3 | Very low | 31.7 | Very low | 78 Ų | 78 | 129.6 Ų | 129.6 | 65% | 0.645 | 77% | 0.773 | S | S | * | * | cis | -165 | 159 | -25.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 846 | L | 29.8 | Very low | 31.3 | Very low | 182 Ų | 182 | 132 Ų | 132 | 95% | 0.953 | 78% | 0.78 | S | S | * | * | trans | 16.5 | 137.2 | 146 | -62.7 | 161.9 | 0 | 0 | 0 | 121.5 | ||||
| 847 | G | 29.1 | Very low | 31.1 | Very low | 81 Ų | 81 | 132.4 Ų | 132.4 | 84% | 0.835 | 78% | 0.781 | S | S | * | * | trans | -179.8 | 133.1 | 158.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 848 | H | 29.3 | Very low | 31.6 | Very low | 191 Ų | 191 | 131.9 Ų | 131.9 | 88% | 0.884 | 78% | 0.78 | S | S | * | * | trans | -92.6 | 157.8 | -176.1 | -94.3 | -89 | 0 | 0 | 0 | 114.9 | ||||
| 849 | S | 32.3 | Very low | 31.2 | Very low | 85 Ų | 85 | 133.5 Ų | 133.5 | 59% | 0.594 | 78% | 0.779 | S | S | * | * | trans | -34.1 | 142.9 | 165.7 | 50.9 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 850 | H | 29.7 | Very low | 31.1 | Very low | 186 Ų | 186 | 132.6 Ų | 132.6 | 86% | 0.861 | 78% | 0.777 | S | S | * | * | -177.1 | 171.1 | 118.4 | -93.6 | -64.6 | 0 | 0 | 0 | 111.7 | |||||
| 851 | I | 39.4 | Very low | 31 | Very low | 162 Ų | 162 | 131 Ų | 131 | 83% | 0.831 | 77% | 0.774 | S | S | * | * | trans | -110.5 | 128.4 | -177.1 | -69.4 | 166.4 | 0 | 0 | 0 | 108.5 | ||||
| 852 | P | 36.5 | Very low | 31.1 | Very low | 122 Ų | 122 | 131.4 Ų | 131.4 | 79% | 0.792 | 78% | 0.776 | S | S | * | * | -150.1 | -179.3 | 104 | 39.3 | -20.7 | 0 | 0 | 0 | 116 | |||||
| 853 | S | 27.1 | Very low | 30.2 | Very low | 119 Ų | 119 | 132.6 Ų | 132.6 | 83% | 0.832 | 78% | 0.775 | S | S | * | * | trans | -63.6 | 150.6 | 179.3 | -39.7 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 854 | A | 29.8 | Very low | 30.1 | Very low | 90 Ų | 90 | 132.4 Ų | 132.4 | 74% | 0.744 | 78% | 0.775 | S | S | * | * | 174.2 | 137.6 | 125.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 855 | V | 27.1 | Very low | 31 | Very low | 131 Ų | 131 | 129.9 Ų | 129.9 | 79% | 0.794 | 77% | 0.77 | S | S | * | * | 52.4 | 108.2 | 126.2 | -179.3 | 0 | 0 | 0 | 0 | 121.4 | |||||
| 856 | V | 25.1 | Very low | 31.2 | Very low | 129 Ų | 129 | 130.5 Ų | 130.5 | 78% | 0.782 | 76% | 0.762 | S | S | * | * | trans | 74 | 139 | 131.8 | 179.2 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 857 | L | 29.3 | Very low | 31.3 | Very low | 156 Ų | 156 | 129.5 Ų | 129.5 | 82% | 0.817 | 76% | 0.757 | S | S | * | * | trans | -23.8 | 163.9 | 155.1 | -74.3 | 162.8 | 0 | 0 | 0 | 117.9 | ||||
| 858 | P | 42.8 | Very low | 31.6 | Very low | 105 Ų | 105 | 130.4 Ų | 130.4 | 68% | 0.682 | 74% | 0.743 | S | S | * | * | cis | -152.9 | -175 | 42.2 | 44.9 | -23.8 | 0 | 0 | 0 | 119.9 | ||||
| 859 | N | 23.4 | Very low | 32 | Very low | 149 Ų | 149 | 129.4 Ų | 129.4 | 80% | 0.797 | 74% | 0.738 | S | S | * | * | trans | 62.2 | 134.2 | 162.7 | -71.5 | 4.6 | 0 | 0 | 0 | 119.6 | ||||
| 860 | A | 29.8 | Very low | 31.9 | Very low | 78 Ų | 78 | 128.7 Ų | 128.7 | 65% | 0.645 | 74% | 0.744 | S | S | * | * | cis | 104.3 | 167.4 | 22.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 861 | T | 28 | Very low | 31.9 | Very low | 125 Ų | 125 | 127 Ų | 127 | 77% | 0.767 | 74% | 0.741 | S | S | * | * | trans | 74.1 | 139.6 | -157.2 | 71.2 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 862 | H | 33.6 | Very low | 31.6 | Very low | 160 Ų | 160 | 126.7 Ų | 126.7 | 74% | 0.741 | 74% | 0.736 | S | S | * | * | cis | -157.1 | 163.9 | -16.2 | -105.5 | -61.5 | 0 | 0 | 0 | 106 | ||||
| 863 | D | 28.6 | Very low | 31.3 | Very low | 140 Ų | 140 | 127 Ų | 127 | 75% | 0.749 | 74% | 0.736 | S | S | * | * | cis | -152.3 | -170.3 | 6.8 | -139.1 | -12.3 | 0 | 0 | 0 | 112.9 | ||||
| 864 | Q | 27.4 | Very low | 31.5 | Very low | 145 Ų | 145 | 127.6 Ų | 127.6 | 68% | 0.678 | 73% | 0.729 | S | S | * | * | trans | -127.3 | 175.9 | -179.7 | -129.1 | 169.9 | -5.1 | 0 | 0 | 111.7 | N866 | Q864-N866 VanDerWaalsContact CG-OD1 3.32Å; Q864-N866 WeakPolarHBondContact CG-OD1 3.24Å; Q864-N866 PolarHBondContact NE2-OD1 3.31Å; Q864-N866 VanDerWaalsContact NE2-OD1 3.08Å; Q864-N866 PolarHBondContact OE1-OD1 2.88Å | ||
| 865 | P | 44.3 | Very low | 32.3 | Very low | 114 Ų | 114 | 127 Ų | 127 | 74% | 0.74 | 72% | 0.717 | S | S | * | * | -132.8 | 153.1 | 59.1 | 14.5 | 11.9 | 0 | 0 | 0 | 114.8 | |||||
| 866 | N | 31.9 | Very low | 32.5 | Very low | 91 Ų | 91 | 128.9 Ų | 128.9 | 49% | 0.487 | 72% | 0.717 | S | S | . | * | 74.8 | 143.6 | 67.9 | -52.1 | -2.1 | 0 | 0 | 0 | 112.8 | Q864 | Q864-N866 VanDerWaalsContact CG-OD1 3.32Å; Q864-N866 WeakPolarHBondContact CG-OD1 3.24Å; Q864-N866 PolarHBondContact NE2-OD1 3.31Å; Q864-N866 VanDerWaalsContact NE2-OD1 3.08Å; Q864-N866 PolarHBondContact OE1-OD1 2.88Å | |||
| 867 | L | 33.3 | Very low | 32.9 | Very low | 160 Ų | 160 | 126.9 Ų | 126.9 | 84% | 0.838 | 71% | 0.709 | S | S | * | * | cis | -136.6 | 179 | 20.7 | -81.8 | 86.6 | 0 | 0 | 0 | 110.9 | ||||
| 868 | D | 35.8 | Very low | 33.1 | Very low | 101 Ų | 101 | 124.4 Ų | 124.4 | 54% | 0.54 | 71% | 0.705 | S | S | . | * | cis | 172.8 | 163.9 | -38.6 | -86.2 | -37.1 | 0 | 0 | 0 | 107.3 | ||||
| 869 | H | 36.3 | Very low | 32.3 | Very low | 169 Ų | 169 | 127.4 Ų | 127.4 | 78% | 0.782 | 71% | 0.71 | S | S | * | * | cis | -157.3 | 174.6 | -2.4 | -115.2 | 24.4 | 0 | 0 | 0 | 105.4 | ||||
| 870 | G | 31.5 | Very low | 32.6 | Very low | 70 Ų | 70 | 128.9 Ų | 128.9 | 72% | 0.722 | 71% | 0.709 | S | S | * | * | cis | 171.7 | 177.2 | 5.8 | 0 | 0 | 0 | 0 | 0 | 107 | ||||
| 871 | D | 28.8 | Very low | 32.6 | Very low | 152 Ų | 152 | 132.5 Ų | 132.5 | 81% | 0.813 | 71% | 0.713 | S | S | * | * | cis | -161.5 | 179.1 | 0.6 | -168.3 | 11.2 | 0 | 0 | 0 | 109.6 | ||||
| 872 | E | 32.6 | Very low | 32.6 | Very low | 155 Ų | 155 | 133 Ų | 133 | 72% | 0.724 | 71% | 0.71 | S | S | * | * | trans | -86.8 | -139.4 | -170.9 | -51.3 | -163.5 | 153.2 | 0 | 0 | 117.4 | ||||
| 873 | T | 31.4 | Very low | 32.2 | Very low | 128 Ų | 128 | 134 Ų | 134 | 79% | 0.785 | 71% | 0.712 | S | S | * | * | cis | -148.6 | 176.9 | 21.3 | -11.6 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 874 | L | 31 | Very low | 32 | Very low | 132 Ų | 132 | 134.4 Ų | 134.4 | 69% | 0.691 | 71% | 0.713 | S | S | * | * | trans | -73.2 | -171.2 | 178.9 | -83.1 | 163 | 0 | 0 | 0 | 114.9 | ||||
| 875 | P | 46.3 | Very low | 31.9 | Very low | 76 Ų | 76 | 132.1 Ų | 132.1 | 49% | 0.494 | 71% | 0.713 | S | S | . | * | cis | -151.4 | 167.4 | 19.2 | 45.2 | -24 | 0 | 0 | 0 | 122.2 | ||||
| 876 | H | 31.8 | Very low | 30.9 | Very low | 171 Ų | 171 | 133 Ų | 133 | 79% | 0.792 | 71% | 0.712 | S | S | * | * | trans | 41.4 | 153.1 | 139.1 | -68.3 | -50.7 | 0 | 0 | 0 | 124.4 | ||||
| 877 | S | 32.7 | Very low | 30.5 | Very low | 87 Ų | 87 | 133.8 Ų | 133.8 | 61% | 0.608 | 72% | 0.723 | S | S | * | * | cis | -173.4 | 172.4 | -9.5 | 53.6 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 878 | S | 33.2 | Very low | 30.1 | Very low | 105 Ų | 105 | 136.3 Ų | 136.3 | 73% | 0.734 | 73% | 0.727 | S | S | * | * | trans | 66.4 | 155.3 | 149.6 | 47.6 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 879 | E | 26.9 | Very low | 29.7 | Very low | 167 Ų | 167 | 134.8 Ų | 134.8 | 78% | 0.78 | 74% | 0.735 | S | S | * | * | cis | -130.7 | 165.2 | 4.8 | -80.4 | -154.6 | 97.9 | 0 | 0 | 110.9 | ||||
| 880 | K | 30.2 | Very low | 29.2 | Very low | 180 Ų | 180 | 133.6 Ų | 133.6 | 78% | 0.783 | 73% | 0.734 | S | S | * | * | 68 | 154.2 | 52.4 | -106.4 | -170.1 | 179.1 | -177 | 0 | 115.8 | |||||
| 881 | Q | 28.7 | Very low | 29.1 | Very low | 154 Ų | 154 | 140.1 Ų | 140.1 | 72% | 0.72 | 74% | 0.737 | S | S | * | * | -163.5 | 129.1 | -58.8 | -161.5 | -162.9 | -2 | 0 | 0 | 112.7 | |||||
| 882 | L | 28.9 | Very low | 29 | Very low | 136 Ų | 136 | 141.1 Ų | 141.1 | 71% | 0.712 | 74% | 0.735 | S | S | * | * | trans | 64.6 | 151.6 | 154.2 | -117.2 | 68.4 | 0 | 0 | 0 | 124 | ||||
| 883 | K | 24.9 | Very low | 28.8 | Very low | 181 Ų | 181 | 139.5 Ų | 139.5 | 79% | 0.787 | 73% | 0.731 | S | S | * | * | trans | 75.7 | 158.2 | 155.8 | -70.3 | 177.9 | 175.3 | -178.3 | 0 | 119.9 | ||||
| 884 | I | 24.9 | Very low | 28.5 | Very low | 148 Ų | 148 | 140.6 Ų | 140.6 | 76% | 0.759 | 73% | 0.727 | S | S | * | * | cis | -169.7 | 138.7 | -46.6 | -115.8 | 169.3 | 0 | 0 | 0 | 109.4 | ||||
| 885 | S | 23.7 | Very low | 28.4 | Very low | 97 Ų | 97 | 142.7 Ų | 142.7 | 68% | 0.678 | 73% | 0.731 | S | S | * | * | trans | 57.3 | 166.8 | 168.4 | 97.5 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 886 | D | 24.2 | Very low | 27.5 | Very low | 134 Ų | 134 | 150.4 Ų | 150.4 | 72% | 0.717 | 75% | 0.75 | S | S | * | * | cis | -152.1 | 160.2 | 7.8 | -128.3 | -42.6 | 0 | 0 | 0 | 116.6 | ||||
| 887 | C | 23.1 | Very low | 27.2 | Very low | 107 Ų | 107 | 146.7 Ų | 146.7 | 72% | 0.723 | 74% | 0.743 | S | S | * | * | trans | 0.4 | 156.8 | 166.6 | -75.7 | 0 | 0 | 0 | 0 | 127.3 | ||||
| 888 | K | 25.8 | Very low | 26.9 | Very low | 213 Ų | 213 | 148.2 Ų | 148.2 | 93% | 0.926 | 75% | 0.748 | S | S | * | * | trans | 110.1 | 135.7 | 154.1 | -62.9 | 168.7 | -175 | 169.8 | 0 | 115.3 | ||||
| 889 | G | 26.2 | Very low | 26.6 | Very low | 69 Ų | 69 | 150.5 Ų | 150.5 | 71% | 0.711 | 75% | 0.752 | S | S | * | * | cis | 157.1 | 165.8 | -10.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 890 | N | 26.2 | Very low | 26.6 | Very low | 143 Ų | 143 | 147.4 Ų | 147.4 | 77% | 0.765 | 76% | 0.755 | S | S | * | * | trans | 74.4 | 141.8 | 174.2 | -77.7 | -20 | 0 | 0 | 0 | 117.8 | ||||
| 891 | R | 30.6 | Very low | 26.6 | Very low | 207 Ų | 207 | 149.2 Ų | 149.2 | 78% | 0.781 | 76% | 0.757 | S | S | * | * | cis | -164.8 | 159.7 | -8.8 | -136.4 | 168.4 | -167.6 | -176 | 1.1 | 114.9 | ||||
| 892 | K | 26.6 | Very low | 26.8 | Very low | 174 Ų | 174 | 148.6 Ų | 148.6 | 76% | 0.757 | 76% | 0.759 | S | S | * | * | trans | 75.3 | 148.2 | 162.8 | -62.9 | -160.6 | 158.8 | -166.5 | 0 | 118.1 | ||||
| 893 | D | 28.2 | Very low | 27.2 | Very low | 121 Ų | 121 | 147.7 Ų | 147.7 | 65% | 0.647 | 76% | 0.759 | S | S | * | * | cis | -162.1 | 160.2 | -25.4 | -91.9 | -27.9 | 0 | 0 | 0 | 104.3 | ||||
| 894 | Q | 25.5 | Very low | 27.6 | Very low | 151 Ų | 151 | 145 Ų | 145 | 71% | 0.706 | 75% | 0.753 | S | S | * | * | cis | -164.3 | 141.7 | 30.3 | -160.7 | 165.1 | 52.9 | 0 | 0 | 113.1 | ||||
| 895 | K | 27.1 | Very low | 28.2 | Very low | 176 Ų | 176 | 145.3 Ų | 145.3 | 77% | 0.765 | 76% | 0.756 | S | S | * | * | trans | 59.8 | 139.7 | 159 | -77 | 171.3 | -177 | 178.7 | 0 | 119.4 | ||||
| 896 | R | 27.5 | Very low | 28.8 | Very low | 237 Ų | 237 | 146 Ų | 146 | 89% | 0.894 | 75% | 0.752 | S | S | * | * | cis | 75 | 140.4 | 27.6 | -69.8 | -171.2 | 175.9 | -179.1 | -1.5 | 114.9 | ||||
| 897 | S | 26.1 | Very low | 29.4 | Very low | 93 Ų | 93 | 146.6 Ų | 146.6 | 65% | 0.65 | 75% | 0.754 | S | S | * | * | cis | -171.2 | 140.5 | 5 | 148.7 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 898 | V | 26.9 | Very low | 30.2 | Very low | 119 Ų | 119 | 149.2 Ų | 149.2 | 72% | 0.721 | 76% | 0.761 | S | S | * | * | trans | 47.7 | 143.3 | 136.2 | -169.9 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 899 | D | 25.9 | Very low | 30.5 | Very low | 153 Ų | 153 | 147.1 Ų | 147.1 | 82% | 0.818 | 75% | 0.751 | S | S | * | * | trans | 69.3 | 119 | 162.2 | -80.1 | -28.4 | 0 | 0 | 0 | 121.1 | ||||
| 900 | A | 27.3 | Very low | 30.9 | Very low | 102 Ų | 102 | 151.6 Ų | 151.6 | 84% | 0.843 | 75% | 0.754 | S | S | * | * | -161.3 | 158.8 | 125.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 901 | R | 30.5 | Very low | 31.4 | Very low | 219 Ų | 219 | 152.9 Ų | 152.9 | 83% | 0.826 | 76% | 0.76 | S | S | * | * | trans | -111.2 | 163.6 | 176.5 | -55.3 | 167.6 | 94 | 97.8 | -8.2 | 110.4 | ||||
| 902 | N | 32 | Very low | 31.3 | Very low | 141 Ų | 141 | 150.1 Ų | 150.1 | 75% | 0.754 | 76% | 0.76 | S | S | * | * | trans | 64.9 | 126.1 | 161.2 | -53.9 | -13.5 | 0 | 0 | 0 | 116.9 | ||||
| 903 | T | 37.9 | Very low | 31.3 | Very low | 117 Ų | 117 | 149.2 Ų | 149.2 | 72% | 0.718 | 76% | 0.764 | S | S | * | * | 174.9 | 113.7 | 110.9 | 27.8 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 904 | L | 33.2 | Very low | 31.3 | Very low | 125 Ų | 125 | 149.2 Ų | 149.2 | 65% | 0.654 | 77% | 0.773 | S | S | * | * | S | Bend | trans | -146.5 | -24.9 | 165.4 | -167 | 57.5 | 0 | 0 | 0 | 112.4 | D906 | L904-D906 PolarHBondContact O-N 3.4Š|
| 905 | N | 36.8 | Very low | 31.4 | Very low | 154 Ų | 154 | 148.8 Ų | 148.8 | 82% | 0.824 | 78% | 0.781 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.5 | -7.7 | 173.1 | -71 | -0.3 | 0 | 0 | 0 | 114.5 | ||
| 906 | D | 38 | Very low | 31.5 | Very low | 112 Ų | 112 | 145.1 Ų | 145.1 | 60% | 0.599 | 78% | 0.783 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.3 | -19.1 | 178.1 | -70.4 | -59.1 | 0 | 0 | 0 | 114 | L904 | L904-D906 PolarHBondContact O-N 3.4Š|
| 907 | L | 36.8 | Very low | 31.4 | Very low | 145 Ų | 145 | 141.2 Ų | 141.2 | 76% | 0.759 | 78% | 0.78 | S | S | * | * | G | 310 helix | trans | -84.6 | -20.4 | -178.4 | -145.8 | 79 | 0 | 0 | 0 | 113.5 | K909 | L907-K909 PolarHBondContact O-N 2.88Š|
| 908 | L | 38.6 | Very low | 32.2 | Very low | 163 Ų | 163 | 141.3 Ų | 141.3 | 85% | 0.853 | 78% | 0.778 | S | S | * | * | G | 310 helix | trans | -86.6 | 18.2 | 176.4 | -78.1 | 168.2 | 0 | 0 | 0 | 113.8 | ||
| 909 | K | 32.6 | Very low | 32.1 | Very low | 168 Ų | 168 | 144.1 Ų | 144.1 | 73% | 0.73 | 78% | 0.781 | S | S | * | * | G | 310 helix | trans | -119.5 | 3.2 | -177.9 | -149.5 | -177.1 | 177.2 | -173.7 | 0 | 114.8 | L907 | L907-K909 PolarHBondContact O-N 2.88Š|
| 910 | H | 35.5 | Very low | 32.1 | Very low | 164 Ų | 164 | 141.4 Ų | 141.4 | 76% | 0.759 | 78% | 0.78 | S | S | * | * | S | Bend | trans | -134 | 14.9 | -170.3 | -87.8 | -66.6 | 0 | 0 | 0 | 116.6 | ||
| 911 | L | 34.9 | Very low | 32.2 | Very low | 170 Ų | 170 | 142.1 Ų | 142.1 | 89% | 0.89 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -131 | 37.7 | 172.3 | -74.8 | 177.6 | 0 | 0 | 0 | 113.2 | ||
| 912 | N | 30.3 | Very low | 32 | Very low | 148 Ų | 148 | 138.6 Ų | 138.6 | 79% | 0.791 | 77% | 0.765 | S | S | * | * | S | Bend | trans | -139.8 | 69.2 | 169.5 | -169.8 | 81.4 | 0 | 0 | 0 | 110.5 | ||
| 913 | D | 26.4 | Very low | 31.7 | Very low | 156 Ų | 156 | 138.2 Ų | 138.2 | 83% | 0.834 | 76% | 0.758 | S | S | * | * | trans | -173.6 | 84 | 156.3 | -96.6 | -23.5 | 0 | 0 | 0 | 110.7 | ||||
| 914 | S | 27.3 | Very low | 31 | Very low | 120 Ų | 120 | 139.6 Ų | 139.6 | 84% | 0.839 | 76% | 0.757 | S | S | * | * | trans | -152.7 | 76.7 | 168.3 | 46.8 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 915 | V | 28.5 | Very low | 30.5 | Very low | 143 Ų | 143 | 141.5 Ų | 141.5 | 87% | 0.867 | 76% | 0.762 | S | S | * | * | trans | -62.6 | 128.5 | 178.4 | 175.1 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 916 | A | 27.5 | Very low | 29.9 | Very low | 99 Ų | 99 | 139.1 Ų | 139.1 | 82% | 0.818 | 76% | 0.758 | S | S | * | * | trans | -160.7 | 123.3 | 151.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 917 | N | 26.2 | Very low | 29.2 | Very low | 154 Ų | 154 | 137.5 Ų | 137.5 | 82% | 0.824 | 77% | 0.768 | S | S | * | * | trans | -129.3 | 170.2 | 158.3 | -145.3 | -8.8 | 0 | 0 | 0 | 103.8 | ||||
| 918 | P | 43 | Very low | 29.4 | Very low | 95 Ų | 95 | 136.4 Ų | 136.4 | 62% | 0.617 | 77% | 0.769 | S | S | * | * | cis | -144 | 179.8 | -2.7 | 44.2 | -25.3 | 0 | 0 | 0 | 117.4 | ||||
| 919 | K | 25.7 | Very low | 28.8 | Very low | 179 Ų | 179 | 140 Ų | 140 | 78% | 0.778 | 77% | 0.771 | S | S | * | * | trans | 59.1 | 124.6 | 139.9 | -80.8 | 172.4 | 168.4 | -172.2 | 0 | 124.4 | I921 | K919-I921 HydrophobicContact CB-CD1 4.07Å; K919-I921 HydrophobicContact CD-CD1 3.72Å; K919-I921 HydrophobicContact CG-CD1 3.87Å; K919-I921 HydrophobicContact CG-CG1 4.47Å | ||
| 920 | A | 24.7 | Very low | 29.3 | Very low | 96 Ų | 96 | 137.6 Ų | 137.6 | 79% | 0.793 | 77% | 0.773 | S | S | * | * | -152.8 | 143.8 | 127.6 | 0 | 0 | 0 | 0 | 0 | 108.3 | |||||
| 921 | I | 28.9 | Very low | 29.1 | Very low | 117 Ų | 117 | 139.5 Ų | 139.5 | 60% | 0.6 | 77% | 0.773 | S | S | * | * | cis | 92.6 | 140.8 | 3.3 | -48.5 | -179.7 | 0 | 0 | 0 | 116 | K919 | K919-I921 HydrophobicContact CB-CD1 4.07Å; K919-I921 HydrophobicContact CD-CD1 3.72Å; K919-I921 HydrophobicContact CG-CD1 3.87Å; K919-I921 HydrophobicContact CG-CG1 4.47Å | ||
| 922 | L | 27.4 | Very low | 29.9 | Very low | 144 Ų | 144 | 136.8 Ų | 136.8 | 75% | 0.754 | 77% | 0.766 | S | S | * | * | trans | 82.3 | 142.4 | -176.7 | -50.2 | -179.9 | 0 | 0 | 0 | 114.7 | ||||
| 923 | Q | 25.4 | Very low | 30.2 | Very low | 133 Ų | 133 | 134.5 Ų | 134.5 | 62% | 0.621 | 75% | 0.75 | S | S | * | * | cis | -160.4 | 166 | -1.5 | -127 | 165.9 | -48.1 | 0 | 0 | 113.4 | ||||
| 924 | E | 23.3 | Very low | 30.7 | Very low | 147 Ų | 147 | 134.3 Ų | 134.3 | 69% | 0.687 | 75% | 0.749 | S | S | * | * | trans | 21 | 152.6 | 134.5 | -81.9 | 149.1 | -148.4 | 0 | 0 | 122.8 | ||||
| 925 | E | 22.6 | Very low | 30.8 | Very low | 164 Ų | 164 | 134.3 Ų | 134.3 | 77% | 0.766 | 74% | 0.737 | S | S | * | * | cis | -167.8 | 166.9 | -9 | -138.9 | -173.4 | 152.9 | 0 | 0 | 113.4 | ||||
| 926 | S | 23.7 | Very low | 30.7 | Very low | 105 Ų | 105 | 134.3 Ų | 134.3 | 73% | 0.734 | 73% | 0.731 | S | S | * | * | trans | 64.8 | 103.7 | 145.3 | 70.3 | 0 | 0 | 0 | 0 | 125.2 | ||||
| 927 | G | 23.8 | Very low | 30.8 | Very low | 78 Ų | 78 | 136.4 Ų | 136.4 | 80% | 0.804 | 72% | 0.724 | S | S | * | * | trans | 63.1 | -171.6 | 136.1 | 0 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 928 | P | 41.1 | Very low | 31.5 | Very low | 122 Ų | 122 | 134.1 Ų | 134.1 | 79% | 0.792 | 72% | 0.718 | S | S | * | * | cis | -134.7 | 168.7 | -28.5 | 40.6 | -25.7 | 0 | 0 | 0 | 115.2 | ||||
| 929 | R | 27.1 | Very low | 31 | Very low | 238 Ų | 238 | 135.9 Ų | 135.9 | 90% | 0.898 | 72% | 0.719 | S | S | * | * | trans | 23.5 | 154.5 | 149.6 | -72.3 | -178 | 179.1 | -178.1 | 0.8 | 122.8 | ||||
| 930 | P | 43 | Very low | 31.2 | Very low | 117 Ų | 117 | 136.2 Ų | 136.2 | 76% | 0.76 | 72% | 0.723 | S | S | * | * | cis | -140.3 | -175.5 | -6.4 | 39.5 | -18.1 | 0 | 0 | 0 | 117.4 | ||||
| 931 | R | 31.3 | Very low | 31.7 | Very low | 204 Ų | 204 | 138.3 Ų | 138.3 | 77% | 0.77 | 72% | 0.717 | S | S | * | * | trans | -20 | 159.4 | 154.5 | -83.7 | 174.1 | -178 | 170.8 | 2.6 | 119.2 | H933 | R931-H933 WeakPolarHBondContact CD-NE2 3.41Š| ||
| 932 | P | 50.6 | Low | 31.8 | Very low | 113 Ų | 113 | 140.8 Ų | 140.8 | 73% | 0.734 | 73% | 0.73 | S | S | * | * | cis | -145.4 | 143.3 | 41.2 | 40.5 | -20.4 | 0 | 0 | 0 | 121.2 | ||||
| 933 | H | 37.8 | Very low | 32.2 | Very low | 100 Ų | 100 | 138.8 Ų | 138.8 | 46% | 0.463 | 73% | 0.725 | S | S | . | * | 59.8 | 154.5 | 127 | -70.5 | -76.3 | 0 | 0 | 0 | 121.4 | R931 M935 | R931-H933 WeakPolarHBondContact CD-NE2 3.41Å; H933-M935 VanDerWaalsContact CE1-SD 3.56Å; H933-M935 PolarHBondContact ND1-SD 3.39Å; H933-M935 VanDerWaalsContact ND1-SD 3.38Å | |||
| 934 | L | 35 | Very low | 32.5 | Very low | 153 Ų | 153 | 141.9 Ų | 141.9 | 80% | 0.801 | 74% | 0.739 | S | S | * | * | cis | -102.5 | -129 | 22.6 | -84.8 | 78 | 0 | 0 | 0 | 117.5 | ||||
| 935 | M | 30.8 | Very low | 32.9 | Very low | 119 Ų | 119 | 141 Ų | 141 | 59% | 0.586 | 74% | 0.743 | S | S | * | * | -166.7 | 159.4 | -129.9 | -65.1 | -79.3 | 68.2 | 0 | 0 | 109.9 | H933 | H933-M935 VanDerWaalsContact CE1-SD 3.56Å; H933-M935 PolarHBondContact ND1-SD 3.39Å; H933-M935 VanDerWaalsContact ND1-SD 3.38Å | |||
| 936 | L | 26.5 | Very low | 33.5 | Very low | 144 Ų | 144 | 138.7 Ų | 138.7 | 75% | 0.754 | 74% | 0.743 | S | S | * | * | cis | -158.3 | 167.5 | -3 | -119.5 | 168.9 | 0 | 0 | 0 | 113.5 | ||||
| 937 | E | 29.1 | Very low | 34.3 | Very low | 142 Ų | 142 | 140 Ų | 140 | 66% | 0.664 | 75% | 0.748 | S | S | * | * | trans | -104.4 | -163.9 | 170.9 | -147.3 | -156.5 | 126.8 | 0 | 0 | 109.2 | M939 | E937-M939 PolarHBondContact OE1-N 2.84Š| ||
| 938 | P | 40.9 | Very low | 34.5 | Very low | 107 Ų | 107 | 141.1 Ų | 141.1 | 70% | 0.695 | 75% | 0.75 | S | S | * | * | cis | -151.2 | 150.2 | 48.9 | 40.8 | -18.7 | 0 | 0 | 0 | 120.2 | ||||
| 939 | M | 32.8 | Very low | 34 | Very low | 131 Ų | 131 | 142 Ų | 142 | 65% | 0.645 | 75% | 0.753 | S | S | * | * | trans | 57.6 | 161.4 | 133.9 | -61.3 | -160.5 | 84.7 | 0 | 0 | 120.8 | E937 | E937-M939 PolarHBondContact OE1-N 2.84Š| ||
| 940 | E | 28.9 | Very low | 34.4 | Very low | 186 Ų | 186 | 136.5 Ų | 136.5 | 87% | 0.869 | 75% | 0.748 | S | S | * | * | cis | -137.7 | -171.8 | 20.8 | -153.7 | 168.4 | -154.4 | 0 | 0 | 113.6 | ||||
| 941 | E | 35.5 | Very low | 33.9 | Very low | 140 Ų | 140 | 136.7 Ų | 136.7 | 65% | 0.654 | 75% | 0.752 | S | S | * | * | trans | -129.4 | 151.8 | -146.1 | 174.9 | -176.8 | -175.4 | 0 | 0 | 114.9 | ||||
| 942 | L | 32.4 | Very low | 33.9 | Very low | 169 Ų | 169 | 137.3 Ų | 137.3 | 89% | 0.885 | 76% | 0.755 | S | S | * | * | trans | -171.5 | 167.1 | 140.3 | -103.7 | 161.7 | 0 | 0 | 0 | 112.7 | ||||
| 943 | T | 35.6 | Very low | 32.9 | Very low | 103 Ų | 103 | 139.2 Ų | 139.2 | 63% | 0.632 | 75% | 0.753 | S | S | * | * | trans | -134.3 | 158 | -148 | 46.1 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 944 | E | 31.3 | Very low | 32.6 | Very low | 198 Ų | 198 | 139.6 Ų | 139.6 | 93% | 0.925 | 77% | 0.774 | S | S | * | * | trans | -151.5 | 169.4 | 158 | -146.7 | 175.8 | -169.6 | 0 | 0 | 112 | ||||
| 945 | V | 31.7 | Very low | 32.3 | Very low | 128 Ų | 128 | 137.8 Ų | 137.8 | 78% | 0.776 | 77% | 0.774 | S | S | * | * | trans | -134.3 | 142.1 | -156.5 | 177.5 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 946 | P | 34.2 | Very low | 32.3 | Very low | 116 Ų | 116 | 140 Ų | 140 | 75% | 0.753 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -90 | 146 | 173.5 | 34.9 | -34.2 | 0 | 0 | 0 | 114.4 | ||
| 947 | P | 40.1 | Very low | 32.4 | Very low | 131 Ų | 131 | 144 Ų | 144 | 85% | 0.851 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -87.8 | 165.9 | -178.9 | 35.1 | -36.2 | 0 | 0 | 0 | 115 | ||
| 948 | A | 29.1 | Very low | 32.5 | Very low | 102 Ų | 102 | 142.4 Ų | 142.4 | 84% | 0.843 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -102.3 | 166.9 | -167.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||
| 949 | V | 30.3 | Very low | 32 | Very low | 140 Ų | 140 | 143.6 Ų | 143.6 | 85% | 0.848 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -97 | 130.6 | -178.2 | 178.6 | 0 | 0 | 0 | 0 | 111.8 | ||
| 950 | P | 35.9 | Very low | 31.8 | Very low | 123 Ų | 123 | 142.8 Ų | 142.8 | 80% | 0.799 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -87.6 | 141.3 | 169.6 | 34.2 | -32.3 | 0 | 0 | 0 | 112 | ||
| 951 | S | 31.5 | Very low | 31.7 | Very low | 121 Ų | 121 | 139.9 Ų | 139.9 | 85% | 0.846 | 81% | 0.814 | S | S | * | * | trans | -108.9 | 143.7 | 174.9 | 55.3 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 952 | R | 32.3 | Very low | 31.6 | Very low | 218 Ų | 218 | 138.2 Ų | 138.2 | 82% | 0.823 | 82% | 0.818 | S | S | * | * | trans | -154.9 | 121.5 | 167.1 | -146.6 | 175.6 | 172 | 151.8 | 11.2 | 115.8 | ||||
| 953 | E | 30.1 | Very low | 31.8 | Very low | 152 Ų | 152 | 138.1 Ų | 138.1 | 71% | 0.71 | 82% | 0.817 | S | S | * | * | trans | 27.9 | 123.3 | 146.5 | -56 | 173 | 128.8 | 0 | 0 | 120.1 | ||||
| 954 | A | 30.7 | Very low | 32.3 | Very low | 108 Ų | 108 | 138.3 Ų | 138.3 | 89% | 0.893 | 82% | 0.821 | S | S | * | * | trans | -84.1 | 151.2 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 955 | S | 28.6 | Very low | 32.3 | Very low | 115 Ų | 115 | 139.8 Ų | 139.8 | 80% | 0.804 | 82% | 0.818 | S | S | * | * | trans | -140.8 | 144.2 | 168.1 | 54.5 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 956 | L | 31.8 | Very low | 32.3 | Very low | 167 Ų | 167 | 141.8 Ų | 141.8 | 87% | 0.874 | 82% | 0.818 | S | S | * | * | trans | -96 | 119.3 | -176.2 | -71.2 | 163.6 | 0 | 0 | 0 | 110.5 | ||||
| 957 | Y | 28.6 | Very low | 32 | Very low | 226 Ų | 226 | 141 Ų | 141 | 89% | 0.886 | 82% | 0.815 | S | S | * | * | trans | -146.2 | 120.9 | 162.8 | -93.4 | -72.1 | 0 | 0 | 0 | 113.2 | ||||
| 958 | S | 30.2 | Very low | 32.4 | Very low | 110 Ų | 110 | 140 Ų | 140 | 77% | 0.769 | 81% | 0.809 | S | S | * | * | trans | -107.8 | 134.1 | 163.6 | -57.2 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 959 | P | 31.4 | Very low | 32.5 | Very low | 131 Ų | 131 | 141.8 Ų | 141.8 | 85% | 0.851 | 81% | 0.809 | S | S | * | * | trans | -102.3 | 115 | 166.3 | 33.3 | -26.3 | 0 | 0 | 0 | 111.6 | ||||
| 960 | S | 26.8 | Very low | 32.5 | Very low | 115 Ų | 115 | 144 Ų | 144 | 80% | 0.804 | 81% | 0.808 | S | S | * | * | trans | -99.4 | 149.6 | 168.6 | -57.8 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 961 | S | 28.7 | Very low | 32.3 | Very low | 124 Ų | 124 | 148.8 Ų | 148.8 | 87% | 0.867 | 81% | 0.81 | S | S | * | * | trans | 179.2 | 159.9 | 144.9 | 43 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 962 | S | 32.4 | Very low | 32.3 | Very low | 105 Ų | 105 | 149.6 Ų | 149.6 | 73% | 0.734 | 81% | 0.809 | S | S | * | * | trans | -155.5 | 119.8 | -177.1 | 45.5 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 963 | L | 36.7 | Very low | 31.9 | Very low | 167 Ų | 167 | 145.7 Ų | 145.7 | 87% | 0.874 | 81% | 0.805 | S | S | * | * | trans | 67.3 | 178.5 | 158 | -50.4 | 174.7 | 0 | 0 | 0 | 115.4 | ||||
| 964 | P | 45.8 | Very low | 31.9 | Very low | 108 Ų | 108 | 144.3 Ų | 144.3 | 70% | 0.701 | 81% | 0.806 | S | S | * | * | cis | -141.8 | 168.2 | 1 | 43.1 | -24.4 | 0 | 0 | 0 | 119.7 | ||||
| 965 | R | 31.7 | Very low | 32.2 | Very low | 228 Ų | 228 | 145.1 Ų | 145.1 | 86% | 0.86 | 80% | 0.803 | S | S | * | * | trans | 63.3 | 118 | 142.7 | -73.2 | 174 | 177 | -160.2 | -1.2 | 125.3 | ||||
| 966 | H | 30.6 | Very low | 32.1 | Very low | 170 Ų | 170 | 147.1 Ų | 147.1 | 79% | 0.787 | 80% | 0.803 | S | S | * | * | 48 | 105.9 | 128.8 | -74.1 | -75.9 | 0 | 0 | 0 | 125.3 | |||||
| 967 | S | 28.4 | Very low | 33.3 | Very low | 100 Ų | 100 | 144.8 Ų | 144.8 | 70% | 0.699 | 80% | 0.798 | S | S | * | * | 48.1 | 159.3 | 120.5 | 60.3 | 0 | 0 | 0 | 0 | 124 | |||||
| 968 | P | 47.8 | Very low | 33.1 | Very low | 109 Ų | 109 | 139.1 Ų | 139.1 | 71% | 0.708 | 79% | 0.792 | S | S | * | * | cis | -140 | -175.4 | -3.2 | 36.8 | -14.3 | 0 | 0 | 0 | 118.5 | ||||
| 969 | T | 31.7 | Very low | 33 | Very low | 140 Ų | 140 | 139.9 Ų | 139.9 | 86% | 0.859 | 79% | 0.792 | S | S | * | * | trans | 78.7 | 153.4 | 169.3 | 76.8 | 0 | 0 | 0 | 0 | 117 | ||||
| 970 | K | 30.3 | Very low | 33.4 | Very low | 187 Ų | 187 | 139.6 Ų | 139.6 | 81% | 0.813 | 79% | 0.79 | S | S | * | * | cis | -157 | 142.3 | 21.6 | -172.6 | -179.1 | -178.7 | -178.3 | 0 | 112.9 | ||||
| 971 | R | 31.4 | Very low | 33.5 | Very low | 224 Ų | 224 | 140 Ų | 140 | 85% | 0.845 | 79% | 0.788 | S | S | * | * | trans | 8.6 | 141.5 | 165.9 | -60.7 | -177.8 | 178 | 169.9 | -2.8 | 122.7 | ||||
| 972 | V | 31.8 | Very low | 33.6 | Very low | 137 Ų | 137 | 140.4 Ų | 140.4 | 83% | 0.83 | 79% | 0.785 | S | S | * | * | 176.8 | 163.3 | 108.9 | 154.3 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 973 | D | 25.4 | Very low | 34.1 | Very low | 136 Ų | 136 | 140.5 Ų | 140.5 | 73% | 0.727 | 78% | 0.783 | S | S | * | * | trans | -101 | 151.5 | -158.1 | -54.5 | -95.4 | 0 | 0 | 0 | 117.8 | ||||
| 974 | V | 29.2 | Very low | 33.8 | Very low | 123 Ų | 123 | 139 Ų | 139 | 75% | 0.745 | 78% | 0.782 | S | S | * | * | 36.1 | 126.5 | 128.6 | -174.1 | 0 | 0 | 0 | 0 | 118.5 | |||||
| 975 | P | 36.1 | Very low | 33.1 | Very low | 126 Ų | 126 | 137.4 Ų | 137.4 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | -155 | -178.7 | 72.8 | 43.4 | -22 | 0 | 0 | 0 | 121.3 | |||||
| 976 | L | 26.7 | Very low | 33 | Very low | 156 Ų | 156 | 131.7 Ų | 131.7 | 82% | 0.817 | 78% | 0.779 | S | S | * | * | trans | -54.9 | -177.9 | -177.4 | -100 | 61.8 | 0 | 0 | 0 | 120.6 | ||||
| 977 | P | 56.7 | Low | 33 | Very low | 118 Ų | 118 | 131.9 Ų | 131.9 | 77% | 0.766 | 79% | 0.785 | S | S | * | * | trans | -116.3 | -177.5 | -161.1 | 45.2 | -38.2 | 0 | 0 | 0 | 116.7 | ||||
| 978 | S | 25.8 | Very low | 33.1 | Very low | 107 Ų | 107 | 131.9 Ų | 131.9 | 75% | 0.748 | 79% | 0.785 | S | S | * | * | trans | -159.1 | 135 | 159.1 | 56.4 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 979 | T | 26.8 | Very low | 32.4 | Very low | 127 Ų | 127 | 135.5 Ų | 135.5 | 78% | 0.779 | 80% | 0.795 | S | S | * | * | trans | 34.4 | 134.9 | 142.1 | 58.3 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 980 | P | 40.6 | Very low | 32.4 | Very low | 124 Ų | 124 | 132.2 Ų | 132.2 | 81% | 0.805 | 79% | 0.789 | S | S | * | * | trans | -108.9 | 143 | 163.2 | 37.9 | -28.9 | 0 | 0 | 0 | 114.8 | ||||
| 981 | T | 29 | Very low | 32.5 | Very low | 125 Ų | 125 | 126.7 Ų | 126.7 | 77% | 0.767 | 79% | 0.785 | S | S | * | * | trans | -154.9 | 120.1 | 170.5 | 44.1 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 982 | T | 30 | Very low | 32.5 | Very low | 132 Ų | 132 | 122.4 Ų | 122.4 | 81% | 0.81 | 78% | 0.784 | S | S | * | * | trans | 46 | 153.4 | 138.3 | 51.9 | 0 | 0 | 0 | 0 | 122 | ||||
| 983 | P | 44.2 | Very low | 32.6 | Very low | 106 Ų | 106 | 123 Ų | 123 | 69% | 0.688 | 78% | 0.782 | S | S | * | * | cis | -148.4 | -179.7 | 35.9 | 42.7 | -21.2 | 0 | 0 | 0 | 119 | ||||
| 984 | T | 30.8 | Very low | 33 | Very low | 137 Ų | 137 | 124.3 Ų | 124.3 | 84% | 0.84 | 78% | 0.783 | S | S | * | * | trans | 21.3 | 127.7 | 150.7 | 55.9 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 985 | G | 29.4 | Very low | 33.2 | Very low | 73 Ų | 73 | 129.1 Ų | 129.1 | 75% | 0.753 | 79% | 0.788 | S | S | * | * | cis | 138.4 | -173.7 | 45.8 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 986 | S | 29.4 | Very low | 33.2 | Very low | 108 Ų | 108 | 129.4 Ų | 129.4 | 76% | 0.755 | 78% | 0.779 | S | S | * | * | cis | 177.7 | 145.1 | -21.7 | 47.8 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 987 | L | 31.3 | Very low | 33.5 | Very low | 174 Ų | 174 | 133.2 Ų | 133.2 | 91% | 0.911 | 78% | 0.782 | S | S | * | * | trans | 70.1 | 151.4 | 174.6 | -61.8 | 168 | 0 | 0 | 0 | 116.4 | ||||
| 988 | S | 31.2 | Very low | 32.2 | Very low | 100 Ų | 100 | 130.4 Ų | 130.4 | 70% | 0.699 | 78% | 0.775 | S | S | * | * | cis | -158.7 | 168.8 | -8.8 | 52 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 989 | M | 32.5 | Very low | 32.6 | Very low | 185 Ų | 185 | 128 Ų | 128 | 91% | 0.911 | 77% | 0.766 | S | S | * | * | trans | 17.1 | 144.4 | 148.5 | -60.1 | -76.9 | -81.2 | 0 | 0 | 121.4 | ||||
| 990 | G | 32.2 | Very low | 33.1 | Very low | 72 Ų | 72 | 132.4 Ų | 132.4 | 74% | 0.742 | 77% | 0.771 | S | S | * | * | cis | 144.7 | 152.7 | -2.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 991 | G | 31.3 | Very low | 32.7 | Very low | 70 Ų | 70 | 134.4 Ų | 134.4 | 72% | 0.722 | 77% | 0.769 | S | S | * | * | trans | 103.2 | 160.8 | 162.7 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 992 | T | 32.2 | Very low | 33 | Very low | 135 Ų | 135 | 134.3 Ų | 134.3 | 83% | 0.828 | 76% | 0.763 | S | S | * | * | cis | -176.9 | 172.2 | -34.4 | 14.4 | 0 | 0 | 0 | 0 | 111 | ||||
| 993 | L | 33.8 | Very low | 33 | Very low | 150 Ų | 150 | 134.7 Ų | 134.7 | 79% | 0.785 | 76% | 0.756 | S | S | * | * | trans | 83 | 119.3 | 168.9 | -56.2 | 168.8 | 0 | 0 | 0 | 116.5 | ||||
| 994 | E | 34.3 | Very low | 32.5 | Very low | 163 Ų | 163 | 139.9 Ų | 139.9 | 76% | 0.762 | 76% | 0.761 | S | S | * | * | cis | 94.8 | 112.1 | 14.9 | -165.3 | -170.5 | -161 | 0 | 0 | 116.2 | ||||
| 995 | R | 33.7 | Very low | 32.7 | Very low | 223 Ų | 223 | 138.6 Ų | 138.6 | 84% | 0.842 | 76% | 0.758 | S | S | * | * | trans | -167.3 | 154.9 | 149.1 | -139 | 159.6 | -174.4 | -164.9 | 1 | 114.5 | ||||
| 996 | Q | 35 | Very low | 33 | Very low | 133 Ų | 133 | 139.1 Ų | 139.1 | 62% | 0.621 | 76% | 0.755 | S | S | * | * | cis | -178.2 | 145.4 | -46.5 | -175.4 | 174.1 | 45.6 | 0 | 0 | 110.7 | ||||
| 997 | R | 33.2 | Very low | 33.3 | Very low | 235 Ų | 235 | 139.2 Ų | 139.2 | 89% | 0.887 | 76% | 0.756 | S | S | * | * | trans | 140.1 | 114.9 | 150.5 | -83.3 | 171.9 | 168.9 | 166.3 | -3.7 | 111.1 | ||||
| 998 | G | 30.4 | Very low | 33.3 | Very low | 59 Ų | 59 | 139.4 Ų | 139.4 | 61% | 0.608 | 75% | 0.752 | S | S | * | * | cis | 83.3 | 142.4 | -3.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 999 | G | 34.3 | Very low | 33.3 | Very low | 56 Ų | 56 | 144.9 Ų | 144.9 | 58% | 0.577 | 76% | 0.757 | S | S | * | * | cis | -82.5 | -138.8 | 4.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 1000 | Y | 35.4 | Very low | 33.3 | Very low | 221 Ų | 221 | 142.7 Ų | 142.7 | 87% | 0.867 | 75% | 0.745 | S | S | * | * | cis | -152.5 | -177.3 | 8 | -59.1 | -86.7 | 0 | 0 | 0 | 108.8 | ||||
| 1001 | Q | 32.6 | Very low | 33.2 | Very low | 166 Ų | 166 | 143.8 Ų | 143.8 | 78% | 0.776 | 74% | 0.741 | S | S | * | * | cis | -144.8 | -94.9 | 8.4 | -159.3 | -156.2 | 80.8 | 0 | 0 | 114 | ||||
| 1002 | L | 35.7 | Very low | 33.2 | Very low | 123 Ų | 123 | 148.5 Ų | 148.5 | 64% | 0.644 | 75% | 0.749 | S | S | * | * | trans | -148.1 | 160.2 | -162.6 | -73.3 | 166.6 | 0 | 0 | 0 | 111.3 | ||||
| 1003 | H | 31.1 | Very low | 33 | Very low | 140 Ų | 140 | 147 Ų | 147 | 65% | 0.648 | 74% | 0.744 | S | S | * | * | cis | -155.9 | 137.7 | 28.6 | -121.9 | -53.4 | 0 | 0 | 0 | 115.5 | ||||
| 1004 | R | 33.2 | Very low | 32.8 | Very low | 214 Ų | 214 | 146.1 Ų | 146.1 | 81% | 0.808 | 75% | 0.745 | S | S | * | * | trans | 53.7 | 127.6 | 141.8 | -89.3 | -177 | 173.7 | 164.9 | -2.3 | 126.5 | ||||
| 1005 | S | 33.7 | Very low | 32.6 | Very low | 111 Ų | 111 | 143.7 Ų | 143.7 | 78% | 0.776 | 75% | 0.746 | S | S | * | * | 69.9 | 157.5 | 128.8 | -61.1 | 0 | 0 | 0 | 0 | 122.6 | |||||
| 1006 | A | 37 | Very low | 33.3 | Very low | 84 Ų | 84 | 137.6 Ų | 137.6 | 69% | 0.694 | 74% | 0.735 | S | S | * | * | cis | -172.5 | 162.5 | -26.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 1007 | S | 34.6 | Very low | 33 | Very low | 110 Ų | 110 | 138.8 Ų | 138.8 | 77% | 0.769 | 75% | 0.746 | S | S | * | * | trans | 67.7 | 114.9 | 145.7 | 58 | 0 | 0 | 0 | 0 | 126.4 | ||||
| 1008 | H | 31.8 | Very low | 32.9 | Very low | 178 Ų | 178 | 130.9 Ų | 130.9 | 82% | 0.824 | 74% | 0.738 | S | S | * | * | 73.6 | 145.1 | 124.5 | -116.2 | -71.4 | 0 | 0 | 0 | 126.3 | |||||
| 1009 | R | 30.8 | Very low | 32.8 | Very low | 215 Ų | 215 | 134.5 Ų | 134.5 | 81% | 0.811 | 75% | 0.748 | S | S | * | * | trans | 75.8 | 154.3 | 158.3 | -72 | -161.4 | 175.2 | -166.8 | -2.5 | 120 | ||||
| 1010 | Q | 32.1 | Very low | 32.6 | Very low | 139 Ų | 139 | 137.4 Ų | 137.4 | 65% | 0.65 | 76% | 0.755 | S | S | * | * | cis | -174.6 | 151.1 | -28.9 | -164.5 | 172 | -4 | 0 | 0 | 111.7 | ||||
| 1011 | S | 31.5 | Very low | 32.4 | Very low | 95 Ų | 95 | 135.5 Ų | 135.5 | 66% | 0.664 | 76% | 0.756 | S | S | * | * | trans | 62.4 | 145 | 156.4 | 38.4 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 1012 | L | 31 | Very low | 32.2 | Very low | 168 Ų | 168 | 130.8 Ų | 130.8 | 88% | 0.88 | 75% | 0.751 | S | S | * | * | cis | 108 | 122 | 16.2 | -82.6 | 165.2 | 0 | 0 | 0 | 114.8 | ||||
| 1013 | S | 28.7 | Very low | 32 | Very low | 104 Ų | 104 | 131.1 Ų | 131.1 | 73% | 0.727 | 76% | 0.758 | S | S | * | * | trans | 170.9 | 103.3 | 142.8 | 51.6 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1014 | T | 29.2 | Very low | 32 | Very low | 131 Ų | 131 | 129.2 Ų | 129.2 | 80% | 0.804 | 76% | 0.76 | S | S | * | * | 70.9 | 119.3 | 99.4 | 56.9 | 0 | 0 | 0 | 0 | 116.7 | |||||
| 1015 | S | 28.5 | Very low | 31.9 | Very low | 113 Ų | 113 | 125.7 Ų | 125.7 | 79% | 0.79 | 76% | 0.762 | S | S | * | * | 79.9 | 162.1 | 68.8 | -143.3 | 0 | 0 | 0 | 0 | 113 | |||||
| 1016 | P | 50.3 | Low | 31.7 | Very low | 94 Ų | 94 | 125.1 Ų | 125.1 | 61% | 0.61 | 76% | 0.759 | S | S | * | * | cis | -141.9 | -165 | 4.7 | 42 | -20.5 | 0 | 0 | 0 | 117 | ||||
| 1017 | N | 28.7 | Very low | 31.5 | Very low | 158 Ų | 158 | 133 Ų | 133 | 85% | 0.845 | 77% | 0.771 | S | S | * | * | trans | 77.2 | 141.7 | 161.2 | -55.6 | -19.3 | 0 | 0 | 0 | 119.8 | ||||
| 1018 | G | 29.6 | Very low | 31.3 | Very low | 70 Ų | 70 | 135.7 Ų | 135.7 | 72% | 0.722 | 77% | 0.771 | S | S | * | * | cis | 165.9 | 166.2 | -13 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 1019 | V | 29.8 | Very low | 31.3 | Very low | 135 Ų | 135 | 135.3 Ų | 135.3 | 82% | 0.818 | 77% | 0.769 | S | S | * | * | trans | 83.3 | 90.3 | 149 | -171.8 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 1020 | T | 29.7 | Very low | 31.2 | Very low | 117 Ų | 117 | 130.8 Ų | 130.8 | 72% | 0.718 | 77% | 0.77 | S | S | * | * | trans | 61 | 123.8 | 131.7 | 65.2 | 0 | 0 | 0 | 0 | 127 | ||||
| 1021 | M | 30.6 | Very low | 31.5 | Very low | 181 Ų | 181 | 132.1 Ų | 132.1 | 89% | 0.892 | 78% | 0.779 | S | S | * | * | 72.4 | 143.5 | 120.9 | -60.8 | -72.6 | -86.1 | 0 | 0 | 123.9 | |||||
| 1022 | G | 29.1 | Very low | 31.6 | Very low | 66 Ų | 66 | 134 Ų | 134 | 68% | 0.68 | 78% | 0.781 | S | S | * | * | trans | 117.7 | 107 | 170.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1023 | V | 31.8 | Very low | 31.7 | Very low | 131 Ų | 131 | 133.6 Ų | 133.6 | 79% | 0.794 | 78% | 0.778 | S | S | * | * | cis | 69.2 | 120.1 | 30.7 | -171.7 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1024 | S | 30.1 | Very low | 31.7 | Very low | 99 Ų | 99 | 132.3 Ų | 132.3 | 69% | 0.692 | 78% | 0.782 | S | S | * | * | cis | -169.9 | -158.9 | -13.2 | 57.9 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 1025 | V | 30.8 | Very low | 31.7 | Very low | 140 Ų | 140 | 129.5 Ų | 129.5 | 85% | 0.848 | 78% | 0.779 | S | S | * | * | trans | 89.3 | 146.2 | 163.9 | -165.5 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 1026 | S | 30.3 | Very low | 32 | Very low | 100 Ų | 100 | 134.9 Ų | 134.9 | 70% | 0.699 | 78% | 0.783 | S | S | * | * | trans | -128.3 | 164.6 | -175.3 | 58.1 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1027 | R | 31.9 | Very low | 31.3 | Very low | 250 Ų | 250 | 138.4 Ų | 138.4 | 94% | 0.943 | 79% | 0.793 | S | S | * | * | trans | -171.1 | 165.6 | 145.7 | -107.6 | 160.3 | -171 | -118 | -0.4 | 112.8 | ||||
| 1028 | Q | 31.7 | Very low | 32.9 | Very low | 165 Ų | 165 | 135.2 Ų | 135.2 | 77% | 0.771 | 78% | 0.781 | S | S | * | * | trans | -119.6 | 174.7 | -176.6 | -70.5 | -178.7 | -72.4 | 0 | 0 | 112.5 | ||||
| 1029 | H | 31.9 | Very low | 33.6 | Very low | 171 Ų | 171 | 137.8 Ų | 137.8 | 79% | 0.792 | 79% | 0.786 | S | S | * | * | trans | 85.4 | 121 | 157.1 | -59 | -70.7 | 0 | 0 | 0 | 119.9 | ||||
| 1030 | S | 28.6 | Very low | 33.8 | Very low | 120 Ų | 120 | 137.7 Ų | 137.7 | 84% | 0.839 | 79% | 0.785 | S | S | * | * | -162.4 | 157.3 | 114.2 | 48.3 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 1031 | M | 38.2 | Very low | 35.2 | Very low | 167 Ų | 167 | 137.3 Ų | 137.3 | 82% | 0.823 | 79% | 0.785 | S | S | * | * | trans | -131.7 | 156.9 | 166.5 | -55.6 | -168.4 | -54.5 | 0 | 0 | 108.3 | ||||
| 1032 | N | 33.8 | Very low | 36.5 | Very low | 134 Ų | 134 | 134.7 Ų | 134.7 | 72% | 0.717 | 78% | 0.781 | S | S | * | * | 165.9 | 148.6 | 126.4 | -93.5 | -17.9 | 0 | 0 | 0 | 116.2 | |||||
| 1033 | I | 31.5 | Very low | 36.7 | Very low | 160 Ų | 160 | 137.3 Ų | 137.3 | 82% | 0.821 | 79% | 0.789 | S | S | * | * | trans | 63.4 | 141.6 | 144.5 | -63.5 | 162.5 | 0 | 0 | 0 | 117.7 | ||||
| 1034 | G | 30.6 | Very low | 36.7 | Very low | 77 Ų | 77 | 140 Ų | 140 | 79% | 0.794 | 79% | 0.785 | S | S | * | * | cis | 151 | 147.3 | -5.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1035 | G | 27.9 | Very low | 36.7 | Very low | 72 Ų | 72 | 142.6 Ų | 142.6 | 74% | 0.742 | 79% | 0.79 | S | S | * | * | trans | 161 | 165.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 1036 | Y | 34.3 | Very low | 36.7 | Very low | 225 Ų | 225 | 140.4 Ų | 140.4 | 88% | 0.882 | 77% | 0.774 | S | S | * | * | trans | -145.7 | 152.8 | -168.6 | -112.4 | -103.4 | 0 | 0 | 0 | 115.5 | ||||
| 1037 | M | 35.7 | Very low | 36.9 | Very low | 168 Ų | 168 | 139.4 Ų | 139.4 | 83% | 0.828 | 77% | 0.767 | S | S | * | * | trans | 81.2 | 155.1 | 156.9 | -78.9 | -97.8 | 131.3 | 0 | 0 | 122.6 | ||||
| 1038 | P | 62.1 | Low | 36.9 | Very low | 91 Ų | 91 | 136.8 Ų | 136.8 | 59% | 0.591 | 77% | 0.765 | S | S | * | * | trans | -125.7 | -164.5 | -163.9 | 46.6 | -32.2 | 0 | 0 | 0 | 114.8 | ||||
| 1039 | P | 44.9 | Very low | 36.7 | Very low | 125 Ų | 125 | 132.2 Ų | 132.2 | 81% | 0.812 | 76% | 0.762 | S | S | * | * | trans | -133.7 | 178.3 | 140.2 | 38.2 | -25.8 | 0 | 0 | 0 | 114.6 | ||||
| 1040 | T | 33.6 | Very low | 36.6 | Very low | 133 Ų | 133 | 128.8 Ų | 128.8 | 82% | 0.816 | 76% | 0.763 | S | S | * | * | trans | -129.1 | -140.6 | -164.7 | 53.2 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 1041 | P | 60.6 | Low | 36.6 | Very low | 109 Ų | 109 | 131.4 Ų | 131.4 | 71% | 0.708 | 76% | 0.764 | S | S | * | * | trans | -126.1 | -168.3 | -132.1 | 41.3 | -19.3 | 0 | 0 | 0 | 115.8 | ||||
| 1042 | P | 57.7 | Low | 36.2 | Very low | 125 Ų | 125 | 130.2 Ų | 130.2 | 81% | 0.812 | 77% | 0.766 | S | S | * | * | -132.1 | -179.2 | 123.2 | 39.9 | -29.7 | 0 | 0 | 0 | 111.2 | |||||
| 1043 | S | 31.9 | Very low | 36.1 | Very low | 121 Ų | 121 | 127.9 Ų | 127.9 | 85% | 0.846 | 77% | 0.766 | S | S | * | * | cis | -148 | -159.3 | 12.4 | 66 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1044 | R | 33.5 | Very low | 36.8 | Very low | 187 Ų | 187 | 126.5 Ų | 126.5 | 71% | 0.706 | 77% | 0.767 | S | S | * | * | trans | -157.2 | 148.6 | -179.9 | 162.3 | -176.5 | 161.1 | -141.7 | -14.6 | 111.5 | D1046 | R1044-D1046 IonicContact CZ-OD1 3.94Å; R1044-D1046 IonicContact CZ-OD2 3.06Å; R1044-D1046 IonicContact NE-OD1 3.91Å; R1044-D1046 PolarHBondContact NE-OD1 3Å; R1044-D1046 IonicContact NE-OD2 2.83Å; R1044-D1046 VanDerWaalsContact NH2-CG 3.32Å; R1044-D1046 IonicContact NH2-OD1 2.67Å; R1044-D1046 PolarHBondContact NH2-OD1 2.69Å; R1044-D1046 VanDerWaalsContact NH2-OD1 3.1Å; R1044-D1046 IonicContact NH2-OD2 2.78Å; R1044-D1046 PolarHBondContact NH2-OD2 3.02Å | ||
| 1045 | L | 30.3 | Very low | 36.7 | Very low | 154 Ų | 154 | 126.7 Ų | 126.7 | 81% | 0.806 | 77% | 0.769 | S | S | * | * | trans | -176.2 | 126.2 | 138.8 | -112.4 | 67.9 | 0 | 0 | 0 | 106.2 | ||||
| 1046 | D | 30.1 | Very low | 36.8 | Very low | 95 Ų | 95 | 130.8 Ų | 130.8 | 51% | 0.508 | 77% | 0.771 | S | S | . | * | 87.8 | 143.1 | 61.1 | -72.8 | 26.6 | 0 | 0 | 0 | 113.2 | R1044 | R1044-D1046 IonicContact CZ-OD1 3.94Å; R1044-D1046 IonicContact CZ-OD2 3.06Å; R1044-D1046 IonicContact NE-OD1 3.91Å; R1044-D1046 PolarHBondContact NE-OD1 3Å; R1044-D1046 IonicContact NE-OD2 2.83Å; R1044-D1046 VanDerWaalsContact NH2-CG 3.32Å; R1044-D1046 IonicContact NH2-OD1 2.67Å; R1044-D1046 PolarHBondContact NH2-OD1 2.69Å; R1044-D1046 VanDerWaalsContact NH2-OD1 3.1Å; R1044-D1046 IonicContact NH2-OD2 2.78Å; R1044-D1046 PolarHBondContact NH2-OD2 3.02Å | |||
| 1047 | S | 33.4 | Very low | 36.5 | Very low | 79 Ų | 79 | 128.3 Ų | 128.3 | 55% | 0.552 | 77% | 0.767 | S | S | * | * | cis | -169.1 | 165 | -12.4 | -89.1 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1048 | H | 32.6 | Very low | 36.4 | Very low | 194 Ų | 194 | 124.9 Ų | 124.9 | 90% | 0.898 | 76% | 0.759 | S | S | * | * | trans | 69.4 | 148.7 | 166.1 | -46.7 | -68.1 | 0 | 0 | 0 | 119.3 | ||||
| 1049 | G | 27.8 | Very low | 35.2 | Very low | 69 Ų | 69 | 126 Ų | 126 | 71% | 0.711 | 77% | 0.767 | S | S | * | * | cis | 161.8 | 145.3 | -15.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 1050 | A | 30.3 | Very low | 34.5 | Very low | 99 Ų | 99 | 128.7 Ų | 128.7 | 82% | 0.818 | 77% | 0.768 | S | S | * | * | trans | 64 | 159.1 | 161.5 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 1051 | M | 28.3 | Very low | 34.4 | Very low | 175 Ų | 175 | 128.9 Ų | 128.9 | 86% | 0.862 | 77% | 0.769 | S | S | * | * | cis | -166.6 | 173.7 | -26.8 | -103.6 | -160.7 | -176 | 0 | 0 | 109.9 | ||||
| 1052 | V | 30 | Very low | 33.7 | Very low | 142 Ų | 142 | 129.3 Ų | 129.3 | 86% | 0.861 | 77% | 0.772 | S | S | * | * | trans | 73 | 150.8 | 162.8 | -136.1 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 1053 | A | 31.2 | Very low | 32.4 | Very low | 85 Ų | 85 | 128.7 Ų | 128.7 | 70% | 0.702 | 77% | 0.77 | S | S | * | * | trans | -114 | -161.3 | 168.2 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 1054 | P | 45.9 | Very low | 32.4 | Very low | 132 Ų | 132 | 129.2 Ų | 129.2 | 86% | 0.857 | 77% | 0.768 | S | S | * | * | cis | -124.7 | -173.8 | -15.7 | 42.3 | -27 | 0 | 0 | 0 | 112.7 | ||||
| 1055 | G | 27.7 | Very low | 32.5 | Very low | 80 Ų | 80 | 124.9 Ų | 124.9 | 83% | 0.825 | 77% | 0.767 | S | S | * | * | trans | 170.4 | 147.1 | 167 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 1056 | M | 31 | Very low | 32.6 | Very low | 159 Ų | 159 | 128.6 Ų | 128.6 | 78% | 0.783 | 77% | 0.77 | S | S | * | * | trans | -100.7 | 145.1 | 174.3 | -68.8 | 157.7 | 54.1 | 0 | 0 | 110.8 | ||||
| 1057 | H | 28.5 | Very low | 32.7 | Very low | 173 Ų | 173 | 132.4 Ų | 132.4 | 80% | 0.801 | 79% | 0.785 | S | S | * | * | 171.6 | 162.2 | 113.8 | -91.2 | -69.3 | 0 | 0 | 0 | 113.6 | |||||
| 1058 | S | 33.5 | Very low | 32.8 | Very low | 95 Ų | 95 | 133.8 Ų | 133.8 | 66% | 0.664 | 80% | 0.795 | S | S | * | * | trans | -54.6 | 155.4 | -174.6 | -174.9 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 1059 | P | 36.2 | Very low | 32.7 | Very low | 116 Ų | 116 | 130.1 Ų | 130.1 | 75% | 0.753 | 79% | 0.791 | S | S | * | * | trans | -123 | 139.7 | 139.3 | 36.2 | -27.6 | 0 | 0 | 0 | 113.9 | ||||
| 1060 | H | 31.3 | Very low | 33.3 | Very low | 180 Ų | 180 | 137.5 Ų | 137.5 | 83% | 0.833 | 80% | 0.799 | S | S | * | * | trans | -80.4 | 150.1 | 163.9 | -69.8 | -100.7 | 0 | 0 | 0 | 111.4 | ||||
| 1061 | T | 30 | Very low | 33.8 | Very low | 138 Ų | 138 | 138.5 Ų | 138.5 | 85% | 0.847 | 80% | 0.8 | S | S | * | * | trans | -142.6 | 133.6 | 160 | 45.5 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1062 | P | 46.6 | Very low | 34 | Very low | 118 Ų | 118 | 133.8 Ų | 133.8 | 77% | 0.766 | 80% | 0.796 | S | S | * | * | trans | -111.5 | -165.7 | 170.9 | 40.9 | -33.2 | 0 | 0 | 0 | 112.7 | ||||
| 1063 | S | 29.7 | Very low | 34.3 | Very low | 111 Ų | 111 | 137.1 Ų | 137.1 | 78% | 0.776 | 80% | 0.802 | S | S | * | * | trans | 81.4 | 134.3 | -178 | 77.1 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 1064 | V | 33 | Very low | 34.3 | Very low | 133 Ų | 133 | 136.7 Ų | 136.7 | 81% | 0.806 | 81% | 0.805 | S | S | * | * | cis | 109.9 | 97.8 | 8 | -177.8 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 1065 | S | 34.5 | Very low | 33.8 | Very low | 96 Ų | 96 | 136.2 Ų | 136.2 | 67% | 0.671 | 81% | 0.805 | S | S | * | * | trans | 3.6 | 143 | 155.5 | 60.4 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 1066 | R | 32.8 | Very low | 34.3 | Very low | 232 Ų | 232 | 139.6 Ų | 139.6 | 88% | 0.875 | 80% | 0.803 | S | S | * | * | 179.3 | -177.4 | 115.6 | -99.5 | 177.8 | 179.3 | -137.2 | 0.7 | 113.7 | |||||
| 1067 | Q | 32 | Very low | 35.4 | Very low | 174 Ų | 174 | 138.1 Ų | 138.1 | 81% | 0.813 | 81% | 0.806 | S | S | * | * | trans | -137.5 | -179.1 | -178.4 | -44.3 | 96 | -77.6 | 0 | 0 | 109.2 | ||||
| 1068 | S | 36.5 | Very low | 36 | Very low | 109 Ų | 109 | 140.7 Ų | 140.7 | 76% | 0.762 | 81% | 0.808 | S | S | * | * | cis | -162.7 | -159.4 | 14.7 | 65 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1069 | S | 30.5 | Very low | 36 | Very low | 117 Ų | 117 | 143.2 Ų | 143.2 | 82% | 0.818 | 82% | 0.82 | S | S | * | * | trans | 115.7 | -173.8 | 149.9 | 81.1 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 1070 | Y | 40.7 | Very low | 35.7 | Very low | 224 Ų | 224 | 140.6 Ų | 140.6 | 88% | 0.878 | 81% | 0.814 | S | S | * | * | trans | -150.6 | 173.1 | -139.2 | -146.2 | -98.4 | 0 | 0 | 0 | 114.5 | ||||
| 1071 | S | 39.9 | Very low | 36 | Very low | 120 Ų | 120 | 139.3 Ų | 139.3 | 84% | 0.839 | 81% | 0.813 | S | S | * | * | trans | 80.2 | 156.7 | 178.7 | 79.4 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 1072 | G | 31.8 | Very low | 36.3 | Very low | 75 Ų | 75 | 141.5 Ų | 141.5 | 77% | 0.773 | 81% | 0.81 | S | S | * | * | cis | -157.7 | -161.1 | 7.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 1073 | H | 36.5 | Very low | 35.7 | Very low | 213 Ų | 213 | 146.7 Ų | 146.7 | 99% | 0.986 | 82% | 0.815 | S | S | * | * | trans | -91.3 | 154.1 | -155.2 | -80.3 | -79.1 | 0 | 0 | 0 | 121.1 | ||||
| 1074 | G | 32 | Very low | 36.2 | Very low | 75 Ų | 75 | 146.9 Ų | 146.9 | 77% | 0.773 | 81% | 0.811 | S | S | * | * | trans | -179.5 | 172.6 | 158.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1075 | S | 34.4 | Very low | 36.7 | Very low | 122 Ų | 122 | 147.1 Ų | 147.1 | 85% | 0.853 | 82% | 0.816 | S | S | * | * | cis | -161.5 | -178.5 | -16 | 64.7 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1076 | L | 38.9 | Very low | 36.5 | Very low | 151 Ų | 151 | 147.5 Ų | 147.5 | 79% | 0.791 | 82% | 0.818 | S | S | * | * | trans | -154.7 | 160.5 | -179.5 | -104.9 | 173.6 | 0 | 0 | 0 | 110.9 | R1078 | L1076-R1078 HydrophobicContact CD2-CB 4.5Š| ||
| 1077 | P | 54.8 | Low | 36.6 | Very low | 129 Ų | 129 | 144.1 Ų | 144.1 | 84% | 0.838 | 82% | 0.817 | S | S | * | * | -147.3 | -157.2 | 67.8 | 40.3 | -17.8 | 0 | 0 | 0 | 116.2 | |||||
| 1078 | R | 40.3 | Very low | 36.7 | Very low | 226 Ų | 226 | 145.1 Ų | 145.1 | 85% | 0.853 | 82% | 0.818 | S | S | * | * | trans | -161.2 | 133.8 | -148.4 | 176.3 | -162.2 | -165.2 | -176.7 | 8.6 | 116.4 | L1076 | L1076-R1078 HydrophobicContact CD2-CB 4.5Š| ||
| 1079 | T | 34.2 | Very low | 37.1 | Very low | 149 Ų | 149 | 144.5 Ų | 144.5 | 91% | 0.914 | 81% | 0.812 | S | S | * | * | trans | -162.6 | 141.3 | 154.7 | 38.2 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1080 | G | 30.3 | Very low | 37.2 | Very low | 61 Ų | 61 | 145.7 Ų | 145.7 | 63% | 0.629 | 81% | 0.809 | S | S | * | * | cis | 177.7 | 153.9 | -11.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 1081 | L | 35.8 | Very low | 36.6 | Very low | 153 Ų | 153 | 141.2 Ų | 141.2 | 80% | 0.801 | 80% | 0.804 | S | S | * | * | trans | 54.3 | 138 | 160.6 | -78.5 | 60.6 | 0 | 0 | 0 | 119 | ||||
| 1082 | K | 36.3 | Very low | 37.4 | Very low | 183 Ų | 183 | 140.7 Ų | 140.7 | 80% | 0.796 | 80% | 0.798 | S | S | * | * | cis | -157.1 | 172.2 | 13.1 | -106.5 | 153.8 | 179.2 | 168.6 | 0 | 107.2 | ||||
| 1083 | R | 34.8 | Very low | 37.8 | Very low | 228 Ų | 228 | 143.1 Ų | 143.1 | 86% | 0.86 | 80% | 0.8 | S | S | * | * | cis | -137.5 | -166.5 | 13.3 | -64 | 179.6 | 155.1 | 123.2 | -10.1 | 111.1 | ||||
| 1084 | T | 41.1 | Very low | 37.5 | Very low | 115 Ų | 115 | 142.4 Ų | 142.4 | 71% | 0.706 | 79% | 0.794 | S | S | * | * | trans | -10.1 | 149.8 | 150.2 | 52.6 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 1085 | P | 42.7 | Very low | 38.8 | Very low | 138 Ų | 138 | 143.9 Ų | 143.9 | 90% | 0.896 | 79% | 0.79 | S | S | * | * | cis | -96.1 | -165.2 | 29.7 | 37 | -37.7 | 0 | 0 | 0 | 116.4 | ||||
| 1086 | S | 30.8 | Very low | 38.6 | Very low | 103 Ų | 103 | 145.9 Ų | 145.9 | 72% | 0.72 | 79% | 0.792 | S | S | * | * | trans | -151.2 | 161.8 | -159.6 | -165 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 1087 | L | 34.4 | Very low | 38.1 | Very low | 162 Ų | 162 | 141.8 Ų | 141.8 | 85% | 0.848 | 79% | 0.785 | S | S | * | * | trans | 74.1 | 121 | 174.5 | -60.8 | 158.7 | 0 | 0 | 0 | 115.5 | ||||
| 1088 | K | 33.8 | Very low | 36.9 | Very low | 195 Ų | 195 | 146 Ų | 146 | 85% | 0.848 | 79% | 0.791 | S | S | * | * | cis | 101.8 | 160.4 | 20.2 | -128.9 | -157.8 | -179.8 | -171.9 | 0 | 113.4 | ||||
| 1089 | P | 46.2 | Very low | 37.2 | Very low | 96 Ų | 96 | 139.7 Ų | 139.7 | 62% | 0.623 | 78% | 0.779 | S | S | * | * | -136.6 | 176.1 | -93 | 47.6 | -33 | 0 | 0 | 0 | 118.8 | |||||
| 1090 | D | 30.8 | Very low | 37.5 | Very low | 142 Ų | 142 | 138.7 Ų | 138.7 | 76% | 0.759 | 78% | 0.776 | S | S | * | * | trans | 50.1 | 121.3 | 143.8 | -60.3 | -32.9 | 0 | 0 | 0 | 126.7 | ||||
| 1091 | V | 28.6 | Very low | 37.5 | Very low | 129 Ų | 129 | 144.5 Ų | 144.5 | 78% | 0.782 | 79% | 0.786 | S | S | * | * | 60.9 | 151.3 | 123.5 | -176.7 | 0 | 0 | 0 | 0 | 121.4 | |||||
| 1092 | P | 57.3 | Low | 37.8 | Very low | 109 Ų | 109 | 143.3 Ų | 143.3 | 71% | 0.708 | 79% | 0.786 | S | S | * | * | cis | -122.6 | -166.5 | -26.9 | 38.7 | -20.1 | 0 | 0 | 0 | 113.5 | ||||
| 1093 | P | 40.6 | Very low | 37.9 | Very low | 126 Ų | 126 | 140.8 Ų | 140.8 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | -153.6 | -177.6 | 97.7 | 40.9 | -21.7 | 0 | 0 | 0 | 117.9 | |||||
| 1094 | K | 29.6 | Very low | 37.7 | Very low | 198 Ų | 198 | 138.8 Ų | 138.8 | 86% | 0.861 | 79% | 0.788 | S | S | * | * | trans | -142.7 | 170.6 | 169.6 | -87.4 | -173.8 | 177.5 | -179.2 | 0 | 108 | ||||
| 1095 | P | 60 | Low | 37.3 | Very low | 107 Ų | 107 | 141.5 Ų | 141.5 | 70% | 0.695 | 80% | 0.795 | S | S | * | * | cis | -128.1 | -149.3 | -37.3 | 39.9 | -21.6 | 0 | 0 | 0 | 111 | ||||
| 1096 | N | 28.4 | Very low | 36.6 | Very low | 164 Ų | 164 | 147 Ų | 147 | 88% | 0.877 | 80% | 0.798 | S | S | * | * | trans | 91.6 | 148.3 | 179.7 | -53.1 | -19.3 | 0 | 0 | 0 | 115.2 | ||||
| 1097 | G | 29.9 | Very low | 36.9 | Very low | 64 Ų | 64 | 147 Ų | 147 | 66% | 0.66 | 79% | 0.794 | S | S | * | * | cis | 161.6 | 130.9 | -11.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1098 | F | 30.1 | Very low | 36.8 | Very low | 217 Ų | 217 | 146.2 Ų | 146.2 | 95% | 0.952 | 80% | 0.795 | S | S | * | * | trans | 68 | 166.2 | 170.8 | -77.5 | -83.9 | 0 | 0 | 0 | 117.2 | ||||
| 1099 | P | 45.3 | Very low | 36.9 | Very low | 94 Ų | 94 | 143 Ų | 143 | 61% | 0.61 | 79% | 0.787 | S | S | * | * | trans | -116.4 | 171.2 | -133.2 | 43.6 | -38.9 | 0 | 0 | 0 | 116.4 | ||||
| 1100 | P | 39.8 | Very low | 36.4 | Very low | 129 Ų | 129 | 145.9 Ų | 145.9 | 84% | 0.838 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 134.4 | 161.9 | 31.5 | -33.6 | 0 | 0 | 0 | 111.8 | ||
| 1101 | Q | 31.2 | Very low | 36.9 | Very low | 183 Ų | 183 | 147.9 Ų | 147.9 | 86% | 0.855 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -89 | 160.1 | 174.7 | -67.5 | 177.7 | -15.2 | 0 | 0 | 112.2 | ||
| 1102 | T | 41.9 | Very low | 37.1 | Very low | 128 Ų | 128 | 146.5 Ų | 146.5 | 79% | 0.785 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -70.8 | 136.6 | 166.6 | 50.7 | 0 | 0 | 0 | 0 | 112.3 | ||
| 1103 | P | 38.7 | Very low | 36.1 | Very low | 129 Ų | 129 | 155.9 Ų | 155.9 | 84% | 0.838 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -93.3 | 135.2 | 152.8 | 33.1 | -28.1 | 0 | 0 | 0 | 110.8 | ||
| 1104 | Q | 30.8 | Very low | 35.8 | Very low | 187 Ų | 187 | 157.4 Ų | 157.4 | 87% | 0.874 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -86.6 | 168.5 | 177.7 | -75.5 | -176.9 | -41.2 | 0 | 0 | 113.3 | ||
| 1105 | M | 32 | Very low | 36.2 | Very low | 171 Ų | 171 | 155.3 Ų | 155.3 | 84% | 0.842 | 80% | 0.804 | S | S | * | * | trans | -40.7 | 151.3 | 172.1 | -64.3 | 169.8 | 161.6 | 0 | 0 | 115.9 | ||||
| 1106 | R | 29.2 | Very low | 34.8 | Very low | 253 Ų | 253 | 157.9 Ų | 157.9 | 96% | 0.955 | 81% | 0.81 | S | S | * | * | trans | -127.4 | 148.9 | 136.9 | -84.5 | -170.5 | 171.5 | 177.2 | -1.7 | 110.2 | ||||
| 1107 | V | 35.7 | Very low | 35.2 | Very low | 105 Ų | 105 | 157.6 Ų | 157.6 | 64% | 0.636 | 81% | 0.806 | S | S | * | * | trans | -116.9 | 133.1 | -174.7 | 174.8 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 1108 | V | 33.5 | Very low | 35.6 | Very low | 144 Ų | 144 | 163.4 Ų | 163.4 | 87% | 0.873 | 82% | 0.816 | S | S | * | * | trans | -141.4 | 137.3 | 156.3 | -175 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 1109 | N | 36.1 | Very low | 35.9 | Very low | 128 Ų | 128 | 159.9 Ų | 159.9 | 68% | 0.684 | 81% | 0.806 | S | S | * | * | trans | -98.6 | 154.1 | -178.1 | -54.9 | -63.1 | 0 | 0 | 0 | 111.3 | ||||
| 1110 | K | 33.8 | Very low | 35.2 | Very low | 157 Ų | 157 | 164.6 Ų | 164.6 | 68% | 0.683 | 82% | 0.82 | S | S | * | * | 161.4 | 140.8 | 109.6 | -95.6 | 174.8 | 168.6 | -148.4 | 0 | 115.5 | |||||
| 1111 | Y | 42.1 | Very low | 34.9 | Very low | 183 Ų | 183 | 167.3 Ų | 167.3 | 72% | 0.718 | 82% | 0.819 | S | S | * | * | trans | 59.9 | 126.4 | 159.5 | -51.7 | -49.2 | 0 | 0 | 0 | 117.6 | ||||
| 1112 | S | 32.6 | Very low | 35.2 | Very low | 101 Ų | 101 | 166 Ų | 166 | 71% | 0.706 | 82% | 0.816 | S | S | * | * | cis | 90.3 | 94.9 | 41.4 | -62.6 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 1113 | Y | 36 | Very low | 34.6 | Very low | 306 Ų | 306 | 169.5 Ų | 169.5 | 100% | 1.2 | 82% | 0.819 | S | S | * | * | -147.4 | 0 | 99.5 | -114.2 | -79.2 | 0 | 0 | 0 | 110.4 |
Retrieved 1,113 of 1,113 residues in 1491.6 ms
(Link to these results)