| 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 | 59.3 | Low | 74.2 | Confident | 206 Ų | 206 | 108 Ų | 108 | 100% | 1.015 | 59% | 0.587 | S | S | * | * | 0 | -40 | 0 | -130.8 | 172.1 | -168.6 | 0 | 0 | 112.3 | S3 | M1-S3 PolarHBondContact O-N 3.28Š| |||
| 2 | V | 67.7 | Low | 75.3 | Confident | 105 Ų | 105 | 106.4 Ų | 106.4 | 64% | 0.636 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -60.3 | -42.1 | 179.8 | -177.1 | 0 | 0 | 0 | 0 | 113.7 | N4 I5 E6 | V2-N4 VanDerWaalsContact C-N 3.34Å; V2-N4 PolarHBondContact O-N 3.05Å; V2-I5 PolarHBondContact O-N 3.35Å; V2-I5 VanDerWaalsContact O-N 3.11Å; V2-E6 PolarHBondContact O-N 3.23Å |
| 3 | S | 67.3 | Low | 76.3 | Confident | 82 Ų | 82 | 102.2 Ų | 102.2 | 57% | 0.573 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -62.5 | -32.5 | -177.5 | 56.1 | 0 | 0 | 0 | 0 | 115.1 | M1 I5 S7 | M1-S3 PolarHBondContact O-N 3.28Å; S3-I5 VanDerWaalsContact C-N 3.34Å; S3-S7 PolarHBondContact O-N 2.83Å; S3-S7 PolarHBondContact O-OG 2.86Å |
| 4 | N | 72.4 | Confident | 77.2 | Confident | 110 Ų | 110 | 101.1 Ų | 101.1 | 59% | 0.588 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -76.8 | -22.5 | 178.1 | -79.1 | -5 | 0 | 0 | 0 | 112.7 | V2 S7 N8 | V2-N4 VanDerWaalsContact C-N 3.34Å; V2-N4 PolarHBondContact O-N 3.05Å; N4-S7 PolarHBondContact O-OG 2.89Å; N4-N8 WeakPolarHBondContact O-CB 3.45Å; N4-N8 PolarHBondContact O-N 3.19Å; N4-N8 PolarHBondContact O-ND2 2.96Å; N4-N8 VanDerWaalsContact O-ND2 3.15Å |
| 5 | I | 73.1 | Confident | 78 | Confident | 102 Ų | 102 | 101 Ų | 101 | 52% | 0.523 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -77.1 | -44.2 | 177.6 | -64.2 | 173.2 | 0 | 0 | 0 | 109.2 | V2 S3 S7 N8 M9 | V2-I5 PolarHBondContact O-N 3.35Å; V2-I5 VanDerWaalsContact O-N 3.11Å; S3-I5 VanDerWaalsContact C-N 3.34Å; I5-S7 PolarHBondContact O-N 3.08Å; I5-N8 PolarHBondContact O-N 3.27Å; I5-M9 HydrophobicContact CG2-CG 4.5Å; I5-M9 HydrophobicContact CG2-SD 4.17Å; I5-M9 WeakPolarHBondContact O-CG 3.34Å; I5-M9 PolarHBondContact O-N 3.26Å |
| 6 | E | 72.3 | Confident | 78.7 | Confident | 128 Ų | 128 | 98.9 Ų | 98.9 | 60% | 0.598 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -60.5 | -45.9 | 177.9 | -71.7 | 179.9 | 165.6 | 0 | 0 | 112.3 | V2 N8 M9 T10 | V2-E6 PolarHBondContact O-N 3.23Å; E6-N8 PolarHBondContact O-N 2.97Å; E6-M9 PolarHBondContact O-N 3.24Å; E6-T10 PolarHBondContact O-N 2.82Å; E6-T10 PolarHBondContact O-OG1 2.7Å; E6-T10 VanDerWaalsContact O-OG1 3.11Å |
| 7 | S | 75.8 | Confident | 79.3 | Confident | 46 Ų | 46 | 97.5 Ų | 97.5 | 32% | 0.322 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -62.8 | -41.1 | 179.7 | 63.2 | 0 | 0 | 0 | 0 | 112.7 | S3 N4 I5 T10 N11 | S3-S7 PolarHBondContact O-N 2.83Å; S3-S7 PolarHBondContact O-OG 2.86Å; N4-S7 PolarHBondContact O-OG 2.89Å; I5-S7 PolarHBondContact O-N 3.08Å; S7-T10 WeakPolarHBondContact CA-OG1 3.23Å; S7-T10 PolarHBondContact O-N 2.88Å; S7-T10 PolarHBondContact O-OG1 3.49Å; S7-N11 PolarHBondContact O-N 2.88Å; S7-N11 PolarHBondContact O-ND2 3.08Å |
| 8 | N | 79.8 | Confident | 79.9 | Confident | 100 Ų | 100 | 95.8 Ų | 95.8 | 54% | 0.535 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -65.4 | -41.7 | 175.6 | -79.1 | -23.8 | 0 | 0 | 0 | 111.8 | N4 I5 E6 T10 N11 V12 | N4-N8 WeakPolarHBondContact O-CB 3.45Å; N4-N8 PolarHBondContact O-N 3.19Å; N4-N8 PolarHBondContact O-ND2 2.96Å; N4-N8 VanDerWaalsContact O-ND2 3.15Å; I5-N8 PolarHBondContact O-N 3.27Å; E6-N8 PolarHBondContact O-N 2.97Å; N8-T10 PolarHBondContact O-N 2.95Å; N8-N11 PolarHBondContact O-N 3.15Å; N8-V12 VanDerWaalsContact O-CG2 3.28Å; N8-V12 WeakPolarHBondContact O-CG2 3.47Å; N8-V12 PolarHBondContact O-N 3.5Å |
| 9 | M | 78.9 | Confident | 80.5 | Confident | 132 Ų | 132 | 96.2 Ų | 96.2 | 65% | 0.65 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -62.6 | -42.4 | 176.1 | -73.1 | -175.8 | 71.5 | 0 | 0 | 111.8 | I5 E6 V12 A13 | I5-M9 HydrophobicContact CG2-CG 4.5Å; I5-M9 HydrophobicContact CG2-SD 4.17Å; I5-M9 WeakPolarHBondContact O-CG 3.34Å; I5-M9 PolarHBondContact O-N 3.26Å; E6-M9 PolarHBondContact O-N 3.24Å; M9-V12 PolarHBondContact O-N 3.06Å; M9-A13 WeakPolarHBondContact O-CB 3.43Å; M9-A13 PolarHBondContact O-N 3.37Å |
| 10 | T | 82.9 | Confident | 81.1 | Confident | 84 Ų | 84 | 96.8 Ų | 96.8 | 52% | 0.515 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -63.1 | -42 | 175.6 | 42.9 | 0 | 0 | 0 | 0 | 112.5 | E6 S7 N8 A13 V14 | E6-T10 PolarHBondContact O-N 2.82Å; E6-T10 PolarHBondContact O-OG1 2.7Å; E6-T10 VanDerWaalsContact O-OG1 3.11Å; S7-T10 WeakPolarHBondContact CA-OG1 3.23Å; S7-T10 PolarHBondContact O-N 2.88Å; S7-T10 PolarHBondContact O-OG1 3.49Å; N8-T10 PolarHBondContact O-N 2.95Å; T10-A13 PolarHBondContact O-N 3.34Å; T10-V14 WeakPolarHBondContact O-CG2 3.49Å; T10-V14 PolarHBondContact O-N 3.36Å |
| 11 | N | 86.5 | Confident | 81.6 | Confident | 93 Ų | 93 | 98.8 Ų | 98.8 | 50% | 0.497 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -65.2 | -43.2 | 178.9 | -74.3 | -21.5 | 0 | 0 | 0 | 111.7 | S7 N8 A13 V14 I15 | S7-N11 PolarHBondContact O-N 2.88Å; S7-N11 PolarHBondContact O-ND2 3.08Å; N8-N11 PolarHBondContact O-N 3.15Å; N11-A13 VanDerWaalsContact C-N 3.34Å; N11-A13 PolarHBondContact O-N 3.37Å; N11-V14 PolarHBondContact O-N 2.97Å; N11-I15 WeakPolarHBondContact O-CB 3.41Å; N11-I15 WeakPolarHBondContact O-CD1 3.46Å; N11-I15 WeakPolarHBondContact O-CG1 3.34Å; N11-I15 PolarHBondContact O-N 2.91Å |
| 12 | V | 87.7 | Confident | 83.1 | Confident | 89 Ų | 89 | 94.5 Ų | 94.5 | 54% | 0.539 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -62.4 | -41.6 | 176.8 | 173.3 | 0 | 0 | 0 | 0 | 111.1 | N8 M9 I15 T16 | N8-V12 VanDerWaalsContact O-CG2 3.28Å; N8-V12 WeakPolarHBondContact O-CG2 3.47Å; N8-V12 PolarHBondContact O-N 3.5Å; M9-V12 PolarHBondContact O-N 3.06Å; V12-I15 PolarHBondContact O-N 2.94Å; V12-T16 HydrophobicContact CG1-CG2 4.45Å; V12-T16 WeakPolarHBondContact O-CB 3.48Å; V12-T16 WeakPolarHBondContact O-CG2 3.29Å; V12-T16 PolarHBondContact O-N 2.88Å; V12-T16 PolarHBondContact O-OG1 2.92Å |
| 13 | A | 88 | Confident | 84 | Confident | 51 Ų | 51 | 92.5 Ų | 92.5 | 42% | 0.421 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -64.4 | -41.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | M9 T10 N11 T16 S17 | M9-A13 WeakPolarHBondContact O-CB 3.43Å; M9-A13 PolarHBondContact O-N 3.37Å; T10-A13 PolarHBondContact O-N 3.34Å; N11-A13 VanDerWaalsContact C-N 3.34Å; N11-A13 PolarHBondContact O-N 3.37Å; A13-T16 WeakPolarHBondContact CA-OG1 3.2Å; A13-T16 PolarHBondContact O-OG1 3.48Å; A13-S17 WeakPolarHBondContact O-CB 3.36Å; A13-S17 PolarHBondContact O-N 2.93Å; A13-S17 PolarHBondContact O-OG 3.28Å |
| 14 | V | 88.7 | Confident | 84.9 | Confident | 88 Ų | 88 | 91.5 Ų | 91.5 | 53% | 0.533 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -66.4 | -45.9 | 176.7 | 172.8 | 0 | 0 | 0 | 0 | 110.8 | T10 N11 S17 C18 | T10-V14 WeakPolarHBondContact O-CG2 3.49Å; T10-V14 PolarHBondContact O-N 3.36Å; N11-V14 PolarHBondContact O-N 2.97Å; V14-S17 PolarHBondContact O-N 3.5Å; V14-C18 PolarHBondContact O-N 3.47Å; V14-C18 PolarHBondContact O-SG 3.3Å; V14-C18 VanDerWaalsContact O-SG 3.37Å |
| 15 | I | 89.6 | Confident | 85.6 | Confident | 99 Ų | 99 | 89.6 Ų | 89.6 | 51% | 0.508 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.8 | -46.8 | -179.7 | -68.3 | 165.4 | 0 | 0 | 0 | 110.8 | N11 V12 S17 C18 I19 | N11-I15 WeakPolarHBondContact O-CB 3.41Å; N11-I15 WeakPolarHBondContact O-CD1 3.46Å; N11-I15 WeakPolarHBondContact O-CG1 3.34Å; N11-I15 PolarHBondContact O-N 2.91Å; V12-I15 PolarHBondContact O-N 2.94Å; I15-S17 VanDerWaalsContact C-N 3.34Å; I15-S17 PolarHBondContact O-N 3.41Å; I15-C18 PolarHBondContact O-N 3.18Å; I15-I19 HydrophobicContact CG2-CD1 3.78Å; I15-I19 HydrophobicContact CG2-CG1 4.47Å; I15-I19 VanDerWaalsContact O-CG1 3.31Å; I15-I19 WeakPolarHBondContact O-CG1 3.4Å; I15-I19 PolarHBondContact O-N 3.08Å |
| 16 | T | 89.4 | Confident | 86.1 | Confident | 67 Ų | 67 | 87.6 Ų | 87.6 | 41% | 0.411 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.8 | -42.1 | 177.7 | 43 | 0 | 0 | 0 | 0 | 111.9 | V12 A13 C18 I19 I20 | V12-T16 HydrophobicContact CG1-CG2 4.45Å; V12-T16 WeakPolarHBondContact O-CB 3.48Å; V12-T16 WeakPolarHBondContact O-CG2 3.29Å; V12-T16 PolarHBondContact O-N 2.88Å; V12-T16 PolarHBondContact O-OG1 2.92Å; A13-T16 WeakPolarHBondContact CA-OG1 3.2Å; A13-T16 PolarHBondContact O-OG1 3.48Å; T16-C18 PolarHBondContact O-N 3.07Å; T16-I19 PolarHBondContact O-N 3.14Å; T16-I20 VanDerWaalsContact O-CG1 3.27Å; T16-I20 WeakPolarHBondContact O-CG1 3.31Å; T16-I20 PolarHBondContact O-N 3.49Å |
| 17 | S | 88.7 | Confident | 86.6 | Confident | 75 Ų | 75 | 86.2 Ų | 86.2 | 52% | 0.524 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62.1 | -43.6 | 176.3 | -59.2 | 0 | 0 | 0 | 0 | 112.1 | A13 V14 I15 I20 F21 | A13-S17 WeakPolarHBondContact O-CB 3.36Å; A13-S17 PolarHBondContact O-N 2.93Å; A13-S17 PolarHBondContact O-OG 3.28Å; V14-S17 PolarHBondContact O-N 3.5Å; I15-S17 VanDerWaalsContact C-N 3.34Å; I15-S17 PolarHBondContact O-N 3.41Å; S17-I20 PolarHBondContact O-N 3.39Å; S17-F21 WeakPolarHBondContact O-CB 3.5Å; S17-F21 PolarHBondContact O-N 3.1Å |
| 18 | C | 90.3 | Very high | 86.8 | Confident | 68 Ų | 68 | 89.7 Ų | 89.7 | 46% | 0.459 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63 | -41.9 | 176.1 | -74.2 | 0 | 0 | 0 | 0 | 112.3 | V14 I15 T16 F21 L22 | V14-C18 PolarHBondContact O-N 3.47Å; V14-C18 PolarHBondContact O-SG 3.3Å; V14-C18 VanDerWaalsContact O-SG 3.37Å; I15-C18 PolarHBondContact O-N 3.18Å; T16-C18 PolarHBondContact O-N 3.07Å; C18-F21 PolarHBondContact O-N 2.8Å; C18-L22 WeakPolarHBondContact O-CB 3.46Å; C18-L22 VanDerWaalsContact O-CG 3.3Å; C18-L22 WeakPolarHBondContact O-CG 3.22Å; C18-L22 PolarHBondContact O-N 2.74Å |
| 19 | I | 91.3 | Very high | 86.8 | Confident | 103 Ų | 103 | 90.5 Ų | 90.5 | 53% | 0.528 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64.7 | -44.2 | 177.7 | -69.1 | 168.4 | 0 | 0 | 0 | 110.7 | I15 T16 F21 L22 S23 | I15-I19 HydrophobicContact CG2-CD1 3.78Å; I15-I19 HydrophobicContact CG2-CG1 4.47Å; I15-I19 VanDerWaalsContact O-CG1 3.31Å; I15-I19 WeakPolarHBondContact O-CG1 3.4Å; I15-I19 PolarHBondContact O-N 3.08Å; T16-I19 PolarHBondContact O-N 3.14Å; I19-F21 VanDerWaalsContact C-N 3.33Å; I19-F21 PolarHBondContact O-N 2.79Å; I19-L22 PolarHBondContact O-N 3.16Å; I19-S23 VanDerWaalsContact O-CB 3.28Å; I19-S23 WeakPolarHBondContact O-CB 3.28Å; I19-S23 PolarHBondContact O-N 3.16Å; I19-S23 PolarHBondContact O-OG 3.16Å |
| 20 | I | 91.8 | Very high | 86.8 | Confident | 107 Ų | 107 | 89.1 Ų | 89.1 | 55% | 0.549 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -61.2 | -45.2 | 177.1 | -67.9 | 165.5 | 0 | 0 | 0 | 110 | T16 S17 S23 S24 | T16-I20 VanDerWaalsContact O-CG1 3.27Å; T16-I20 WeakPolarHBondContact O-CG1 3.31Å; T16-I20 PolarHBondContact O-N 3.49Å; S17-I20 PolarHBondContact O-N 3.39Å; I20-S23 WeakPolarHBondContact CA-OG 3.36Å; I20-S23 PolarHBondContact O-N 3.5Å; I20-S23 PolarHBondContact O-OG 3.46Å; I20-S24 WeakPolarHBondContact O-CB 3.35Å; I20-S24 PolarHBondContact O-N 2.74Å; I20-S24 PolarHBondContact O-OG 2.8Å |
| 21 | F | 91.2 | Very high | 86.3 | Confident | 140 Ų | 140 | 89 Ų | 89 | 61% | 0.614 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -61.8 | -47.8 | 178.2 | -170.1 | -105.1 | 0 | 0 | 0 | 112.5 | S17 C18 I19 S24 I25 | S17-F21 WeakPolarHBondContact O-CB 3.5Å; S17-F21 PolarHBondContact O-N 3.1Å; C18-F21 PolarHBondContact O-N 2.8Å; I19-F21 VanDerWaalsContact C-N 3.33Å; I19-F21 PolarHBondContact O-N 2.79Å; F21-S24 WeakPolarHBondContact O-CB 3.45Å; F21-S24 PolarHBondContact O-N 3.2Å; F21-I25 HydrophobicContact CD1-CD1 3.67Å; F21-I25 HydrophobicContact CE1-CD1 3.33Å; F21-I25 HydrophobicContact CE1-CG1 4.45Å; F21-I25 HydrophobicContact CG-CD1 4.46Å; F21-I25 HydrophobicContact CZ-CD1 3.84Å; F21-I25 WeakPolarHBondContact O-CG1 3.36Å; F21-I25 PolarHBondContact O-N 2.83Å |
| 22 | L | 90.7 | Very high | 85.1 | Confident | 115 Ų | 115 | 89.4 Ų | 89.4 | 60% | 0.602 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -65.5 | -41.3 | 179 | -71 | 172.4 | 0 | 0 | 0 | 112.3 | C18 I19 S24 I25 A26 | C18-L22 WeakPolarHBondContact O-CB 3.46Å; C18-L22 VanDerWaalsContact O-CG 3.3Å; C18-L22 WeakPolarHBondContact O-CG 3.22Å; C18-L22 PolarHBondContact O-N 2.74Å; I19-L22 PolarHBondContact O-N 3.16Å; L22-S24 VanDerWaalsContact C-N 3.3Å; L22-S24 PolarHBondContact O-N 2.9Å; L22-I25 PolarHBondContact O-N 3.25Å; L22-A26 WeakPolarHBondContact O-CB 3.28Å; L22-A26 PolarHBondContact O-N 3.4Å |
| 23 | S | 87.7 | Confident | 84.1 | Confident | 63 Ų | 63 | 96.2 Ų | 96.2 | 44% | 0.441 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -65.7 | -34.5 | 176.5 | 68.1 | 0 | 0 | 0 | 0 | 112 | I19 I20 A26 L27 | I19-S23 VanDerWaalsContact O-CB 3.28Å; I19-S23 WeakPolarHBondContact O-CB 3.28Å; I19-S23 PolarHBondContact O-N 3.16Å; I19-S23 PolarHBondContact O-OG 3.16Å; I20-S23 WeakPolarHBondContact CA-OG 3.36Å; I20-S23 PolarHBondContact O-N 3.5Å; I20-S23 PolarHBondContact O-OG 3.46Å; S23-A26 PolarHBondContact O-N 2.88Å; S23-L27 WeakPolarHBondContact O-CB 3.05Å; S23-L27 PolarHBondContact O-N 2.81Å |
| 24 | S | 87 | Confident | 82.6 | Confident | 62 Ų | 62 | 103 Ų | 103 | 43% | 0.434 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -66.7 | -42.4 | 175.1 | -57.1 | 0 | 0 | 0 | 0 | 111.5 | I20 F21 L22 Y28 | I20-S24 WeakPolarHBondContact O-CB 3.35Å; I20-S24 PolarHBondContact O-N 2.74Å; I20-S24 PolarHBondContact O-OG 2.8Å; F21-S24 WeakPolarHBondContact O-CB 3.45Å; F21-S24 PolarHBondContact O-N 3.2Å; L22-S24 VanDerWaalsContact C-N 3.3Å; L22-S24 PolarHBondContact O-N 2.9Å; S24-Y28 WeakPolarHBondContact O-CB 3.29Å; S24-Y28 PolarHBondContact O-N 2.91Å |
| 25 | I | 86.2 | Confident | 80.6 | Confident | 70 Ų | 70 | 106.6 Ų | 106.6 | 36% | 0.359 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -64.6 | -45.1 | 174.4 | -69.6 | 169.9 | 0 | 0 | 0 | 110.8 | F21 L22 Y28 H29 | F21-I25 HydrophobicContact CD1-CD1 3.67Å; F21-I25 HydrophobicContact CE1-CD1 3.33Å; F21-I25 HydrophobicContact CE1-CG1 4.45Å; F21-I25 HydrophobicContact CG-CD1 4.46Å; F21-I25 HydrophobicContact CZ-CD1 3.84Å; F21-I25 WeakPolarHBondContact O-CG1 3.36Å; F21-I25 PolarHBondContact O-N 2.83Å; L22-I25 PolarHBondContact O-N 3.25Å; I25-Y28 PolarHBondContact O-N 3.34Å; I25-H29 PolarHBondContact O-CD2 2.87Å; I25-H29 PolarHBondContact O-N 3.23Å |
| 26 | A | 84.3 | Confident | 78.7 | Confident | 60 Ų | 60 | 105.6 Ų | 105.6 | 50% | 0.496 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -64 | -43.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | L22 S23 H29 F30 | L22-A26 WeakPolarHBondContact O-CB 3.28Å; L22-A26 PolarHBondContact O-N 3.4Å; S23-A26 PolarHBondContact O-N 2.88Å; A26-H29 PolarHBondContact O-N 2.8Å; A26-F30 WeakPolarHBondContact O-CB 3.29Å; A26-F30 PolarHBondContact O-N 3.37Å |
| 27 | L | 82.6 | Confident | 76.5 | Confident | 99 Ų | 99 | 107.7 Ų | 107.7 | 52% | 0.518 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -65.7 | -42 | 175.8 | -175.7 | 64.7 | 0 | 0 | 0 | 111.2 | S23 F30 L31 | S23-L27 WeakPolarHBondContact O-CB 3.05Å; S23-L27 PolarHBondContact O-N 2.81Å; L27-F30 PolarHBondContact O-N 2.94Å; L27-L31 HydrophobicContact CD1-CD1 4.01Å; L27-L31 HydrophobicContact CD1-CD2 4.46Å; L27-L31 HydrophobicContact CD1-CG 3.96Å; L27-L31 HydrophobicContact CD2-CD1 4.4Å; L27-L31 HydrophobicContact CG-CD1 3.82Å; L27-L31 HydrophobicContact CG-CG 4.17Å; L27-L31 VanDerWaalsContact O-CB 3.31Å; L27-L31 WeakPolarHBondContact O-CB 3.43Å; L27-L31 VanDerWaalsContact O-CG 3.23Å; L27-L31 WeakPolarHBondContact O-CG 3.09Å; L27-L31 PolarHBondContact O-N 3.38Å |
| 28 | Y | 80 | Confident | 74.4 | Confident | 119 Ų | 119 | 115 Ų | 115 | 47% | 0.467 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -57.8 | -51.6 | 174.4 | 174.5 | -96.6 | 0 | 0 | 0 | 111 | S24 I25 F30 L31 Y32 | S24-Y28 WeakPolarHBondContact O-CB 3.29Å; S24-Y28 PolarHBondContact O-N 2.91Å; I25-Y28 PolarHBondContact O-N 3.34Å; Y28-F30 VanDerWaalsContact C-N 3.34Å; Y28-F30 PolarHBondContact O-N 3.3Å; Y28-L31 PolarHBondContact O-N 2.86Å; Y28-Y32 WeakPolarHBondContact O-CB 3.24Å; Y28-Y32 PolarHBondContact O-N 3.46Å |
| 29 | H | 78.9 | Confident | 72 | Confident | 117 Ų | 117 | 115.2 Ų | 115.2 | 54% | 0.542 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -63.3 | -39.1 | 176.6 | -86 | -67.6 | 0 | 0 | 0 | 112.5 | I25 A26 R33 | I25-H29 PolarHBondContact O-CD2 2.87Å; I25-H29 PolarHBondContact O-N 3.23Å; A26-H29 PolarHBondContact O-N 2.8Å; H29-R33 WeakPolarHBondContact O-CB 3.4Å; H29-R33 PolarHBondContact O-N 3.25Å |
| 30 | F | 78.4 | Confident | 70 | Confident | 103 Ų | 103 | 116.7 Ų | 116.7 | 45% | 0.452 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -64.8 | -47.5 | 178.4 | 179.7 | -97.9 | 0 | 0 | 0 | 111.8 | A26 L27 Y28 R34 | A26-F30 WeakPolarHBondContact O-CB 3.29Å; A26-F30 PolarHBondContact O-N 3.37Å; L27-F30 PolarHBondContact O-N 2.94Å; Y28-F30 VanDerWaalsContact C-N 3.34Å; Y28-F30 PolarHBondContact O-N 3.3Å; F30-R34 WeakPolarHBondContact O-CB 3.4Å; F30-R34 PolarHBondContact O-N 2.89Å |
| 31 | L | 72.3 | Confident | 67.9 | Low | 80 Ų | 80 | 119 Ų | 119 | 42% | 0.419 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -66.8 | -43.9 | 178.5 | -68.8 | 177.2 | 0 | 0 | 0 | 111.2 | L27 Y28 R34 R35 | L27-L31 HydrophobicContact CD1-CD1 4.01Å; L27-L31 HydrophobicContact CD1-CD2 4.46Å; L27-L31 HydrophobicContact CD1-CG 3.96Å; L27-L31 HydrophobicContact CD2-CD1 4.4Å; L27-L31 HydrophobicContact CG-CD1 3.82Å; L27-L31 HydrophobicContact CG-CG 4.17Å; L27-L31 VanDerWaalsContact O-CB 3.31Å; L27-L31 WeakPolarHBondContact O-CB 3.43Å; L27-L31 VanDerWaalsContact O-CG 3.23Å; L27-L31 WeakPolarHBondContact O-CG 3.09Å; L27-L31 PolarHBondContact O-N 3.38Å; Y28-L31 PolarHBondContact O-N 2.86Å; L31-R34 PolarHBondContact O-N 2.69Å; L31-R35 WeakPolarHBondContact O-CB 3.36Å; L31-R35 PolarHBondContact O-N 2.94Å |
| 32 | Y | 62.4 | Low | 65.5 | Low | 103 Ų | 103 | 115 Ų | 115 | 40% | 0.404 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -68.6 | -36 | 180 | -164.4 | -97.7 | 0 | 0 | 0 | 112.6 | Y28 | Y28-Y32 WeakPolarHBondContact O-CB 3.24Å; Y28-Y32 PolarHBondContact O-N 3.46Å |
| 33 | R | 65.8 | Low | 63.4 | Low | 231 Ų | 231 | 115.6 Ų | 115.6 | 87% | 0.872 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -76.4 | -30.7 | 177.9 | -160.6 | 178.6 | -170.6 | -168.7 | 3 | 112.6 | H29 | H29-R33 WeakPolarHBondContact O-CB 3.4Å; H29-R33 PolarHBondContact O-N 3.25Å |
| 34 | R | 56.9 | Low | 61.4 | Low | 194 Ų | 194 | 121.5 Ų | 121.5 | 73% | 0.732 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -88.6 | -32.5 | 178.5 | -84.8 | -165.2 | 173 | -166 | -0.3 | 114.4 | F30 L31 | F30-R34 WeakPolarHBondContact O-CB 3.4Å; F30-R34 PolarHBondContact O-N 2.89Å; L31-R34 PolarHBondContact O-N 2.69Å |
| 35 | R | 46.2 | Very low | 59.5 | Low | 163 Ų | 163 | 122.7 Ų | 122.7 | 62% | 0.615 | 61% | 0.613 | S | S | * | * | S | Bend | trans | -123.6 | 107.8 | 179.8 | -63.3 | -178.1 | 170.6 | 166.1 | -4.3 | 106 | L31 I37 | L31-R35 WeakPolarHBondContact O-CB 3.36Å; L31-R35 PolarHBondContact O-N 2.94Å; R35-I37 HydrophobicContact CB-CD1 3.59Å; R35-I37 HydrophobicContact CB-CG1 3.8Å; R35-I37 HydrophobicContact CG-CD1 4.24Å; R35-I37 PolarHBondContact O-N 3.3Å |
| 36 | G | 51.5 | Low | 57.6 | Low | 78 Ų | 78 | 124.4 Ų | 124.4 | 80% | 0.804 | 63% | 0.626 | S | S | * | * | trans | -64.1 | 46.9 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | R38 | G36-R38 PolarHBondContact O-N 2.86Š| ||
| 37 | I | 42.5 | Very low | 56 | Low | 112 Ų | 112 | 130.5 Ų | 130.5 | 57% | 0.574 | 64% | 0.642 | S | S | * | * | trans | -79.1 | 107 | 179.2 | -68.4 | 168.6 | 0 | 0 | 0 | 106.7 | R35 C39 | R35-I37 HydrophobicContact CB-CD1 3.59Å; R35-I37 HydrophobicContact CB-CG1 3.8Å; R35-I37 HydrophobicContact CG-CD1 4.24Å; R35-I37 PolarHBondContact O-N 3.3Å; I37-C39 PolarHBondContact O-N 3.03Å; I37-C39 VanDerWaalsContact O-N 3.15Å | ||
| 38 | R | 45.2 | Very low | 54.8 | Low | 228 Ų | 228 | 130 Ų | 130 | 86% | 0.86 | 65% | 0.652 | S | S | * | * | trans | -59.9 | 110.1 | 171.4 | -74.6 | 175.6 | 171.5 | 177.6 | -2.3 | 109.3 | G36 T40 | G36-R38 PolarHBondContact O-N 2.86Å; R38-T40 PolarHBondContact O-N 2.9Å | ||
| 39 | C | 40 | Very low | 53.9 | Low | 72 Ų | 72 | 132.6 Ų | 132.6 | 49% | 0.486 | 67% | 0.671 | S | S | . | * | trans | -78.5 | 109.7 | 167.1 | -168.9 | 0 | 0 | 0 | 0 | 108.5 | I37 L41 | I37-C39 PolarHBondContact O-N 3.03Å; I37-C39 VanDerWaalsContact O-N 3.15Å; C39-L41 PolarHBondContact O-N 3.1Å | ||
| 40 | T | 49.1 | Very low | 53.9 | Low | 135 Ų | 135 | 135.9 Ų | 135.9 | 83% | 0.828 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.5 | -4 | -179.3 | 45.9 | 0 | 0 | 0 | 0 | 113.9 | R38 | R38-T40 PolarHBondContact O-N 2.9Š|
| 41 | L | 46.7 | Very low | 54.4 | Low | 154 Ų | 154 | 134.8 Ų | 134.8 | 81% | 0.806 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.4 | 4.7 | -174.3 | -74.6 | 163.5 | 0 | 0 | 0 | 114.6 | C39 P43 | C39-L41 PolarHBondContact O-N 3.1Å; L41-P43 WeakPolarHBondContact O-CD 3.45Å |
| 42 | C | 42 | Very low | 55.5 | Low | 57 Ų | 57 | 135 Ų | 135 | 39% | 0.385 | 68% | 0.684 | S | S | . | * | trans | -91.7 | 116 | 173.9 | -69.6 | 0 | 0 | 0 | 0 | 110.8 | F44 S45 | C42-F44 CarbonylContact O-C 3.54Å; C42-F44 PolarHBondContact O-N 3.21Å; C42-S45 PolarHBondContact O-N 3.33Å | ||
| 43 | P | 46.4 | Very low | 57.2 | Low | 127 Ų | 127 | 133.3 Ų | 133.3 | 83% | 0.825 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -72.3 | -10.1 | 175.9 | 28.4 | -33.2 | 0 | 0 | 0 | 113.2 | L41 S45 | L41-P43 WeakPolarHBondContact O-CD 3.45Å; P43-S45 PolarHBondContact O-N 3.33Å |
| 44 | F | 45.2 | Very low | 58.8 | Low | 188 Ų | 188 | 122.5 Ų | 122.5 | 83% | 0.825 | 64% | 0.64 | S | S | * | * | S | Bend | trans | -74.2 | 68.3 | 154.9 | -69.7 | -81.1 | 0 | 0 | 0 | 108.2 | C42 V46 | C42-F44 CarbonylContact O-C 3.54Å; C42-F44 PolarHBondContact O-N 3.21Å; F44-V46 VanDerWaalsContact C-N 3.33Å; F44-V46 PolarHBondContact O-N 3.17Å |
| 45 | S | 46.6 | Very low | 60.7 | Low | 86 Ų | 86 | 113.6 Ų | 113.6 | 60% | 0.601 | 61% | 0.607 | S | S | * | * | trans | -46.9 | 108.8 | 157.7 | -175.3 | 0 | 0 | 0 | 0 | 105.5 | C42 P43 F47 | C42-S45 PolarHBondContact O-N 3.33Å; P43-S45 PolarHBondContact O-N 3.33Å; S45-F47 PolarHBondContact O-N 3.36Å | ||
| 46 | V | 47.6 | Very low | 63.1 | Low | 106 Ų | 106 | 111.2 Ų | 111.2 | 64% | 0.642 | 61% | 0.61 | S | S | * | * | trans | -55.7 | 97.7 | 164.9 | 176.9 | 0 | 0 | 0 | 0 | 103.1 | F44 A48 | F44-V46 VanDerWaalsContact C-N 3.33Å; F44-V46 PolarHBondContact O-N 3.17Å; V46-A48 PolarHBondContact O-N 3.49Å | ||
| 47 | F | 49.8 | Very low | 65.3 | Low | 188 Ų | 188 | 111.2 Ų | 111.2 | 83% | 0.825 | 59% | 0.592 | S | S | * | * | trans | -52.1 | 97.6 | 160.3 | -90.7 | -94.2 | 0 | 0 | 0 | 103.3 | S45 M49 | S45-F47 PolarHBondContact O-N 3.36Å; F47-M49 VanDerWaalsContact C-N 3.29Å; F47-M49 PolarHBondContact O-N 2.92Å | ||
| 48 | A | 56.3 | Low | 67.9 | Low | 88 Ų | 88 | 108.5 Ų | 108.5 | 73% | 0.727 | 58% | 0.582 | S | S | * | * | trans | -57.4 | 106.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 103.9 | V46 K50 | V46-A48 PolarHBondContact O-N 3.49Å; A48-K50 PolarHBondContact O-N 3.03Å | ||
| 49 | M | 62.1 | Low | 70.3 | Confident | 174 Ų | 174 | 104.2 Ų | 104.2 | 86% | 0.857 | 57% | 0.571 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 116.1 | -179.9 | -79.2 | -168.6 | -73.3 | 0 | 0 | 105.9 | F47 N51 | F47-M49 VanDerWaalsContact C-N 3.29Å; F47-M49 PolarHBondContact O-N 2.92Å; M49-N51 PolarHBondContact O-N 3.21Å |
| 50 | K | 79.3 | Confident | 73 | Confident | 187 Ų | 187 | 102.1 Ų | 102.1 | 81% | 0.813 | 56% | 0.559 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 129.1 | 177.7 | -169.7 | 175.6 | -178.7 | -178.4 | 0 | 106.8 | A48 L52 | A48-K50 PolarHBondContact O-N 3.03Å; K50-L52 PolarHBondContact O-N 2.97Å |
| 51 | N | 88.3 | Confident | 75.3 | Confident | 79 Ų | 79 | 98.7 Ų | 98.7 | 42% | 0.422 | 54% | 0.541 | S | S | . | . | P | Polyproline II helix | trans | -53.7 | 138.9 | 179.8 | -69 | -26.6 | 0 | 0 | 0 | 110.1 | M49 I53 I89 | M49-N51 PolarHBondContact O-N 3.21Å; N51-I53 PolarHBondContact O-N 2.82Å; N51-I89 HydrophobicContact CB-CD1 3.57Å; N51-I89 HydrophobicContact CB-CG1 3.92Å; N51-I89 HydrophobicContact CB-CG2 4.48Å |
| 52 | L | 96.5 | Very high | 77.8 | Confident | 86 Ų | 86 | 93.4 Ų | 93.4 | 45% | 0.45 | 51% | 0.511 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 118.6 | 170.1 | -62 | 176.3 | 0 | 0 | 0 | 107.8 | K50 E87 H88 I89 | K50-L52 PolarHBondContact O-N 2.97Å; L52-E87 HydrophobicContact CD1-CB 4.1Å; L52-H88 HydrophobicContact CB-CB 4.45Å; L52-H88 CarbonylContact O-C 3.53Å; L52-H88 VanDerWaalsContact O-CA 3.26Å; L52-H88 WeakPolarHBondContact O-CA 3.27Å; L52-I89 WeakPolarHBondContact O-CG1 3.28Å; L52-I89 PolarHBondContact O-N 3.3Å |
| 53 | I | 97.8 | Very high | 80.5 | Confident | 66 Ų | 66 | 94.4 Ų | 94.4 | 34% | 0.338 | 52% | 0.516 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 130.9 | -174.7 | -68.7 | 165.3 | 0 | 0 | 0 | 109.2 | N51 V56 I89 | N51-I53 PolarHBondContact O-N 2.82Å; I53-V56 HydrophobicContact CB-CG2 4.43Å; I53-V56 HydrophobicContact CG2-CG2 4.28Å; I53-V56 WeakPolarHBondContact O-CG2 3.42Å; I53-I89 HydrophobicContact CG1-CD1 4.03Å; I53-I89 HydrophobicContact CG1-CG1 4.11Å |
| 54 | T | 98.4 | Very high | 83 | Confident | 4 Ų | 4 | 88.7 Ų | 88.7 | 3% | 0.025 | 48% | 0.479 | C | S | . | . | S | Bend | trans | -76 | -52.2 | 177.1 | -55.5 | 0 | 0 | 0 | 0 | 111.4 | V56 Y62 L64 L83 P84 I89 L90 | T54-V56 VanDerWaalsContact C-N 3.31Å; T54-V56 PolarHBondContact O-N 2.9Å; T54-Y62 HydrophobicContact CG2-CD1 4.39Å; T54-Y62 WeakPolarHBondContact O-CE1 3.27Å; T54-Y62 VanDerWaalsContact O-CZ 3.3Å; T54-L64 HydrophobicContact CG2-CD2 4.34Å; T54-L83 HydrophobicContact CG2-CD2 4.25Å; T54-P84 HydrophobicContact CG2-CG 4.03Å; T54-P84 WeakPolarHBondContact OG1-CD 3.45Å; T54-I89 WeakPolarHBondContact CB-O 3.45Å; T54-I89 PolarHBondContact N-O 3.09Å; T54-I89 PolarHBondContact OG1-O 3.05Å; T54-L90 PolarHBondContact N-O 3.3Å |
| 55 | L | 97.9 | Very high | 85.6 | Confident | 7 Ų | 7 | 81 Ų | 81 | 4% | 0.037 | 45% | 0.45 | C | S | . | . | trans | -85.6 | 66.4 | -175.6 | -61.9 | 179.9 | 0 | 0 | 0 | 112.1 | Y62 L90 L92 I98 G163 P164 | L55-Y62 HydrophobicContact CD2-CD2 3.67Å; L55-Y62 HydrophobicContact CD2-CE2 3.92Å; L55-Y62 HydrophobicContact CD2-CG 4.36Å; L55-L90 WeakPolarHBondContact CB-O 3.13Å; L55-L90 HydrophobicContact CD1-CD1 3.79Å; L55-L90 HydrophobicContact CD1-CD2 4.31Å; L55-L90 HydrophobicContact CD1-CG 3.71Å; L55-L90 HydrophobicContact CD2-CD1 4.4Å; L55-L90 HydrophobicContact CG-CD1 3.84Å; L55-L90 HydrophobicContact CG-CG 4.14Å; L55-L90 WeakPolarHBondContact CG-O 3.42Å; L55-L90 PolarHBondContact N-O 2.95Å; L55-L92 HydrophobicContact CD1-CD1 4.39Å; L55-I98 HydrophobicContact CD1-CG2 3.6Å; L55-G163 WeakPolarHBondContact CB-O 3.4Å; L55-P164 HydrophobicContact CB-CG 4.45Å; L55-P164 HydrophobicContact CD1-CG 4.41Å | ||
| 56 | V | 96.9 | Very high | 88 | Confident | 113 Ų | 113 | 76.9 Ų | 76.9 | 69% | 0.685 | 42% | 0.421 | S | S | * | . | S | Bend | trans | -73.2 | -37 | -178.3 | -176.3 | 0 | 0 | 0 | 0 | 112.3 | I53 T54 Y62 | I53-V56 HydrophobicContact CB-CG2 4.43Å; I53-V56 HydrophobicContact CG2-CG2 4.28Å; I53-V56 WeakPolarHBondContact O-CG2 3.42Å; T54-V56 VanDerWaalsContact C-N 3.31Å; T54-V56 PolarHBondContact O-N 2.9Å; V56-Y62 PolarHBondContact N-OH 2.91Å |
| 57 | D | 97.3 | Very high | 90.5 | Very high | 78 Ų | 78 | 75.4 Ų | 75.4 | 42% | 0.417 | 41% | 0.409 | S | S | . | . | S | Bend | trans | -119.5 | 117.4 | 179.7 | 175.4 | 0.5 | 0 | 0 | 0 | 109.6 | E59 A60 Y62 | D57-E59 PolarHBondContact O-N 3.21Å; D57-E59 VanDerWaalsContact O-N 3.16Å; D57-E59 PolarHBondContact OD1-N 2.82Å; D57-A60 HydrophobicContact CB-CB 3.73Å; D57-A60 PolarHBondContact O-N 2.92Å; D57-A60 VanDerWaalsContact O-N 3.16Å; D57-Y62 PolarHBondContact N-OH 2.85Å; D57-Y62 PolarHBondContact O-OH 3.01Å |
| 58 | P | 95.7 | Very high | 92.8 | Very high | 55 Ų | 55 | 72.3 Ų | 72.3 | 36% | 0.357 | 39% | 0.392 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -16.6 | -178.7 | 27.7 | -35.3 | 0 | 0 | 0 | 115.1 | R162 G163 | P58-R162 WeakPolarHBondContact O-CG 3.05Å; P58-R162 PolarHBondContact O-NH1 3.36Å; P58-G163 VanDerWaalsContact CA-O 3.31Å; P58-G163 WeakPolarHBondContact CA-O 3.44Å |
| 59 | E | 95.9 | Very high | 94.8 | Very high | 138 Ų | 138 | 71.9 Ų | 71.9 | 65% | 0.645 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.3 | -14.7 | 178.2 | -59.9 | -54 | 137.6 | 0 | 0 | 112.9 | D57 R162 | D57-E59 PolarHBondContact O-N 3.21Å; D57-E59 VanDerWaalsContact O-N 3.16Å; D57-E59 PolarHBondContact OD1-N 2.82Å; E59-R162 IonicContact OE2-NH1 3.63Å |
| 60 | A | 97.9 | Very high | 96.5 | Very high | 28 Ų | 28 | 66.9 Ų | 66.9 | 23% | 0.231 | 35% | 0.348 | C | S | . | . | S | Bend | trans | -73.7 | 150.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | D57 Y62 R162 | D57-A60 HydrophobicContact CB-CB 3.73Å; D57-A60 PolarHBondContact O-N 2.92Å; D57-A60 VanDerWaalsContact O-N 3.16Å; A60-Y62 HydrophobicContact CB-CE2 3.74Å; A60-Y62 WeakPolarHBondContact O-CD2 3.4Å; A60-Y62 WeakPolarHBondContact O-CE2 3.44Å; A60-R162 WeakPolarHBondContact O-CG 3.41Å |
| 61 | S | 97.8 | Very high | 97.4 | Very high | 64 Ų | 64 | 63.8 Ų | 63.8 | 45% | 0.448 | 34% | 0.339 | S | S | . | . | trans | -102.1 | 125.6 | 176.9 | -179.7 | 0 | 0 | 0 | 0 | 110.4 | N160 F161 | S61-N160 VanDerWaalsContact OG-CB 3.28Å; S61-N160 WeakPolarHBondContact OG-CB 3.42Å; S61-N160 VanDerWaalsContact OG-CG 3.22Å; S61-N160 PolarHBondContact OG-OD1 2.96Å; S61-F161 CarbonylContact C-O 3.6Å; S61-F161 WeakPolarHBondContact CA-O 3.38Å | ||
| 62 | Y | 98.5 | Very high | 97.6 | Very high | 43 Ų | 43 | 64 Ų | 64 | 17% | 0.169 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 104.8 | -177.2 | -58.9 | -88.3 | 0 | 0 | 0 | 109.8 | T54 L55 V56 D57 A60 L64 F161 | T54-Y62 HydrophobicContact CG2-CD1 4.39Å; T54-Y62 WeakPolarHBondContact O-CE1 3.27Å; T54-Y62 VanDerWaalsContact O-CZ 3.3Å; L55-Y62 HydrophobicContact CD2-CD2 3.67Å; L55-Y62 HydrophobicContact CD2-CE2 3.92Å; L55-Y62 HydrophobicContact CD2-CG 4.36Å; V56-Y62 PolarHBondContact N-OH 2.91Å; D57-Y62 PolarHBondContact N-OH 2.85Å; D57-Y62 PolarHBondContact O-OH 3.01Å; A60-Y62 HydrophobicContact CB-CE2 3.74Å; A60-Y62 WeakPolarHBondContact O-CD2 3.4Å; A60-Y62 WeakPolarHBondContact O-CE2 3.44Å; Y62-L64 PolarHBondContact O-N 2.89Å; Y62-F161 PolarHBondContact N-O 3.24Å; Y62-F161 PolarHBondContact O-N 2.83Å |
| 63 | P | 98.5 | Very high | 97.3 | Very high | 78 Ų | 78 | 61.4 Ų | 61.4 | 51% | 0.506 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 113.1 | 175.9 | 28.6 | -32.3 | 0 | 0 | 0 | 109.8 | I159 | P63-I159 WeakPolarHBondContact CA-O 3.39Å |
| 64 | L | 98.8 | Very high | 97 | Very high | 6 Ų | 6 | 64.1 Ų | 64.1 | 3% | 0.031 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 137.1 | 178.5 | -54.9 | -175.1 | 0 | 0 | 0 | 110.6 | T54 Y62 F81 L83 V125 T158 I159 F161 | T54-L64 HydrophobicContact CG2-CD2 4.34Å; Y62-L64 PolarHBondContact O-N 2.89Å; L64-F81 HydrophobicContact CB-CB 4.06Å; L64-L83 HydrophobicContact CD1-CD2 3.96Å; L64-V125 HydrophobicContact CD1-CG1 4.12Å; L64-T158 VanDerWaalsContact O-CA 3.29Å; L64-T158 WeakPolarHBondContact O-CA 3.49Å; L64-I159 PolarHBondContact N-O 3.2Å; L64-I159 PolarHBondContact O-N 2.87Å; L64-I159 VanDerWaalsContact O-N 3.08Å; L64-F161 HydrophobicContact CB-CD2 3.74Å; L64-F161 HydrophobicContact CB-CE2 3.72Å; L64-F161 HydrophobicContact CD1-CB 4.23Å; L64-F161 HydrophobicContact CD1-CD1 3.89Å; L64-F161 HydrophobicContact CD1-CD2 3.65Å; L64-F161 HydrophobicContact CD1-CE1 4.13Å; L64-F161 HydrophobicContact CD1-CE2 3.91Å; L64-F161 HydrophobicContact CD1-CG 3.66Å; L64-F161 HydrophobicContact CD1-CZ 4.14Å; L64-F161 HydrophobicContact CG-CB 4.43Å; L64-F161 HydrophobicContact CG-CD2 3.69Å; L64-F161 HydrophobicContact CG-CE2 4.11Å; L64-F161 HydrophobicContact CG-CG 4.07Å |
| 65 | A | 98.8 | Very high | 96.8 | Very high | 27 Ų | 27 | 64.6 Ų | 64.6 | 22% | 0.223 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 133.5 | -175.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | I67 F81 K82 E157 T158 | A65-I67 PolarHBondContact O-N 3.03Å; A65-F81 CarbonylContact O-C 3.55Å; A65-F81 WeakPolarHBondContact O-CA 3.22Å; A65-K82 PolarHBondContact O-N 2.85Å; A65-E157 CarbonylContact C-O 3.2Å; A65-E157 VanDerWaalsContact CA-O 3.29Å; A65-E157 WeakPolarHBondContact CA-O 3.44Å; A65-T158 HydrophobicContact CB-CG2 4.05Å |
| 66 | L | 98.9 | Very high | 96.6 | Very high | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68 | 117.7 | 169.4 | 178.9 | 66.7 | 0 | 0 | 0 | 108.9 | R68 F79 F81 M153 I155 G156 E157 | L66-R68 VanDerWaalsContact CD1-O 3.3Å; L66-R68 WeakPolarHBondContact CD1-O 3.3Å; L66-F79 HydrophobicContact CD1-CB 4.07Å; L66-F79 HydrophobicContact CD1-CD1 3.88Å; L66-F79 HydrophobicContact CD1-CG 4.49Å; L66-F81 HydrophobicContact CB-CD1 4.16Å; L66-F81 HydrophobicContact CB-CE1 3.88Å; L66-F81 HydrophobicContact CD1-CE1 4.1Å; L66-F81 HydrophobicContact CD1-CE2 4.43Å; L66-F81 HydrophobicContact CD1-CZ 4.07Å; L66-M153 HydrophobicContact CB-CE 3.89Å; L66-M153 HydrophobicContact CB-CG 4.5Å; L66-M153 HydrophobicContact CB-SD 4.15Å; L66-M153 HydrophobicContact CD2-CB 4.06Å; L66-M153 HydrophobicContact CD2-CG 3.92Å; L66-M153 HydrophobicContact CD2-SD 4.21Å; L66-I155 HydrophobicContact CD2-CD1 4.1Å; L66-I155 HydrophobicContact CG-CD1 3.95Å; L66-I155 CarbonylContact O-C 3.53Å; L66-I155 WeakPolarHBondContact O-CA 3.38Å; L66-G156 PolarHBondContact O-N 3.31Å; L66-E157 PolarHBondContact N-O 2.88Å |
| 67 | I | 98.7 | Very high | 96.6 | Very high | 74 Ų | 74 | 60 Ų | 60 | 38% | 0.379 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | -19.8 | 179.6 | 56.1 | 163.5 | 0 | 0 | 0 | 113.5 | A65 R80 K82 | A65-I67 PolarHBondContact O-N 3.03Å; I67-R80 HydrophobicContact CD1-CG 3.86Å; I67-R80 HydrophobicContact CG1-CB 4.2Å; I67-R80 HydrophobicContact CG1-CG 3.8Å; I67-R80 VanDerWaalsContact CG1-O 3.28Å; I67-R80 WeakPolarHBondContact CG1-O 3.49Å; I67-R80 PolarHBondContact N-O 2.98Å; I67-K82 HydrophobicContact CD1-CB 4.04Å; I67-K82 HydrophobicContact CG1-CB 4.27Å; I67-K82 HydrophobicContact CG2-CB 3.58Å; I67-K82 HydrophobicContact CG2-CD 4.33Å |
| 68 | R | 98.7 | Very high | 96.7 | Very high | 123 Ų | 123 | 58.5 Ų | 58.5 | 46% | 0.464 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151 | 140 | 174.2 | -167.7 | 176.4 | 173.1 | -161.9 | -9.4 | 110.7 | L66 E70 R80 | L66-R68 VanDerWaalsContact CD1-O 3.3Å; L66-R68 WeakPolarHBondContact CD1-O 3.3Å; R68-E70 IonicContact CZ-OE2 2.74Å; R68-E70 IonicContact NE-OE2 3.18Å; R68-E70 IonicContact NH2-OE1 3.37Å; R68-E70 IonicContact NH2-OE2 2.66Å; R68-E70 PolarHBondContact NH2-OE2 3.3Å; R68-E70 VanDerWaalsContact NH2-OE2 3.14Å; R68-R80 HydrophobicContact CB-CB 3.91Å; R68-R80 PolarHBondContact N-O 3.29Å; R68-R80 PolarHBondContact O-N 3.41Å |
| 69 | K | 98.6 | Very high | 96.8 | Very high | 79 Ų | 79 | 55.9 Ų | 55.9 | 34% | 0.343 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 123.7 | 169 | -177.2 | 176.5 | 73.3 | -173.8 | 0 | 108.2 | R77 K78 F79 E151 I155 | K69-R77 HydrophobicContact CG-CG 4.45Å; K69-K78 WeakPolarHBondContact CA-O 3.29Å; K69-F79 HydrophobicContact CB-CD1 4.45Å; K69-F79 HydrophobicContact CD-CD1 4.22Å; K69-F79 HydrophobicContact CD-CE1 3.56Å; K69-F79 HydrophobicContact CD-CZ 4.28Å; K69-F79 HydrophobicContact CG-CD1 4.02Å; K69-F79 HydrophobicContact CG-CE1 3.78Å; K69-E151 PolarHBondContact NZ-O 2.91Å; K69-I155 HydrophobicContact CB-CD1 4.49Å |
| 70 | E | 98 | Very high | 96.9 | Very high | 69 Ų | 69 | 51.9 Ų | 51.9 | 32% | 0.322 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 133.8 | -179 | -178.9 | 171.4 | -169.7 | 0 | 0 | 110 | R68 I72 R77 K78 | R68-E70 IonicContact CZ-OE2 2.74Å; R68-E70 IonicContact NE-OE2 3.18Å; R68-E70 IonicContact NH2-OE1 3.37Å; R68-E70 IonicContact NH2-OE2 2.66Å; R68-E70 PolarHBondContact NH2-OE2 3.3Å; R68-E70 VanDerWaalsContact NH2-OE2 3.14Å; E70-I72 HydrophobicContact CG-CD1 3.91Å; E70-R77 VanDerWaalsContact O-CA 3.32Å; E70-R77 WeakPolarHBondContact O-CA 3.33Å; E70-K78 HydrophobicContact CB-CB 4.3Å; E70-K78 PolarHBondContact N-O 3.23Å; E70-K78 PolarHBondContact O-N 3.13Å |
| 71 | I | 96.7 | Very high | 97 | Very high | 123 Ų | 123 | 50.6 Ų | 50.6 | 63% | 0.631 | 25% | 0.253 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 118.7 | 176.8 | -60.1 | 174.9 | 0 | 0 | 0 | 107.3 | S73 | I71-S73 WeakPolarHBondContact CG2-O 3.29Å |
| 72 | I | 93 | Very high | 97 | Very high | 82 Ų | 82 | 51.8 Ų | 51.8 | 42% | 0.421 | 25% | 0.25 | S | S | . | . | trans | -100.1 | -41 | -179 | -55.2 | -61.8 | 0 | 0 | 0 | 110.3 | E70 T76 K78 M128 | E70-I72 HydrophobicContact CG-CD1 3.91Å; I72-T76 HydrophobicContact CB-CG2 4Å; I72-T76 WeakPolarHBondContact CB-O 3.37Å; I72-T76 HydrophobicContact CG1-CG2 4.48Å; I72-T76 HydrophobicContact CG2-CG2 4.27Å; I72-T76 PolarHBondContact N-O 3.48Å; I72-K78 HydrophobicContact CD1-CB 3.98Å; I72-K78 HydrophobicContact CG1-CB 3.93Å; I72-M128 HydrophobicContact CB-SD 4.47Å; I72-M128 HydrophobicContact CD1-CE 4.37Å; I72-M128 HydrophobicContact CG1-CE 3.98Å; I72-M128 HydrophobicContact CG1-SD 3.89Å; I72-M128 HydrophobicContact CG2-CE 4.49Å | ||
| 73 | S | 91 | Very high | 97 | Very high | 32 Ų | 32 | 49.8 Ų | 49.8 | 22% | 0.224 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -147.6 | -176.4 | 174.9 | 81.8 | 0 | 0 | 0 | 0 | 110.6 | I71 D75 T76 | I71-S73 WeakPolarHBondContact CG2-O 3.29Å; S73-D75 PolarHBondContact O-N 3.11Å; S73-D75 VanDerWaalsContact O-N 3.17Å; S73-D75 PolarHBondContact OG-N 2.88Å; S73-D75 PolarHBondContact OG-OD1 2.89Å; S73-T76 PolarHBondContact N-O 2.98Å; S73-T76 VanDerWaalsContact N-O 3.13Å; S73-T76 VanDerWaalsContact OG-CB 3.24Å; S73-T76 WeakPolarHBondContact OG-CB 3.48Å; S73-T76 PolarHBondContact OG-N 2.9Å; S73-T76 PolarHBondContact OG-OG1 2.88Å |
| 74 | H | 91.7 | Very high | 97 | Very high | 123 Ų | 123 | 49.8 Ų | 49.8 | 57% | 0.569 | 24% | 0.242 | S | C | * | . | S | Bend | trans | -52.2 | -36.2 | 176.1 | 74.4 | -75.3 | 0 | 0 | 0 | 112.9 | R77 D234 | H74-R77 PolarHBondContact O-NH1 2.97Å; H74-D234 IonicContact CE1-OD1 2.8Å |
| 75 | D | 93.1 | Very high | 97 | Very high | 15 Ų | 15 | 52.4 Ų | 52.4 | 8% | 0.08 | 26% | 0.259 | C | S | . | . | S | Bend | trans | -120.8 | -4.5 | 179.8 | 68.4 | 14.8 | 0 | 0 | 0 | 114.8 | S73 R77 K130 V131 F133 | S73-D75 PolarHBondContact O-N 3.11Å; S73-D75 VanDerWaalsContact O-N 3.17Å; S73-D75 PolarHBondContact OG-N 2.88Å; S73-D75 PolarHBondContact OG-OD1 2.89Å; D75-R77 PolarHBondContact O-NH1 2.87Å; D75-K130 CarbonylContact O-C 3.6Å; D75-K130 WeakPolarHBondContact OD2-CE 3.26Å; D75-K130 IonicContact OD2-NZ 3.88Å; D75-K130 PolarHBondContact OD2-NZ 3.39Å; D75-V131 WeakPolarHBondContact O-CA 3.43Å; D75-V131 WeakPolarHBondContact O-CB 3.46Å; D75-V131 PolarHBondContact O-N 3.14Å; D75-F133 HydrophobicContact CB-CE2 4.41Å |
| 76 | T | 94.3 | Very high | 96.9 | Very high | 4 Ų | 4 | 56.3 Ų | 56.3 | 3% | 0.025 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 132.9 | -176.4 | -61.3 | 0 | 0 | 0 | 0 | 113.1 | I72 S73 M128 L236 | I72-T76 HydrophobicContact CB-CG2 4Å; I72-T76 WeakPolarHBondContact CB-O 3.37Å; I72-T76 HydrophobicContact CG1-CG2 4.48Å; I72-T76 HydrophobicContact CG2-CG2 4.27Å; I72-T76 PolarHBondContact N-O 3.48Å; S73-T76 PolarHBondContact N-O 2.98Å; S73-T76 VanDerWaalsContact N-O 3.13Å; S73-T76 VanDerWaalsContact OG-CB 3.24Å; S73-T76 WeakPolarHBondContact OG-CB 3.48Å; S73-T76 PolarHBondContact OG-N 2.9Å; S73-T76 PolarHBondContact OG-OG1 2.88Å; T76-M128 HydrophobicContact CG2-CG 4.02Å; T76-M128 HydrophobicContact CG2-SD 3.37Å; T76-M128 WeakPolarHBondContact CG2-SD 3.42Å; T76-L236 HydrophobicContact CG2-CD2 3.27Å; T76-L236 VanDerWaalsContact OG1-CD2 3.31Å; T76-L236 WeakPolarHBondContact OG1-CD2 3.32Å |
| 77 | R | 97.2 | Very high | 96.8 | Very high | 18 Ų | 18 | 61.4 Ų | 61.4 | 7% | 0.068 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 146.4 | 176.9 | -78 | 59.1 | 165.1 | 161 | 16.7 | 110.6 | K69 E70 H74 D75 F79 I129 V131 F133 E151 | K69-R77 HydrophobicContact CG-CG 4.45Å; E70-R77 VanDerWaalsContact O-CA 3.32Å; E70-R77 WeakPolarHBondContact O-CA 3.33Å; H74-R77 PolarHBondContact O-NH1 2.97Å; D75-R77 PolarHBondContact O-NH1 2.87Å; R77-F79 HydrophobicContact CB-CD2 3.95Å; R77-F79 HydrophobicContact CB-CE1 4.43Å; R77-F79 HydrophobicContact CB-CE2 3.3Å; R77-F79 HydrophobicContact CB-CZ 3.58Å; R77-F79 HydrophobicContact CG-CE2 4.19Å; R77-F79 HydrophobicContact CG-CZ 3.97Å; R77-I129 PolarHBondContact N-O 3.1Å; R77-I129 PolarHBondContact O-N 3.47Å; R77-V131 HydrophobicContact CB-CG2 4.49Å; R77-V131 HydrophobicContact CG-CG2 4.26Å; R77-F133 VanDerWaalsContact CZ-CZ 3.46Å; R77-E151 WeakPolarHBondContact CG-OE2 3.44Å; R77-E151 IonicContact CZ-OE1 3.14Å; R77-E151 IonicContact CZ-OE2 3.6Å; R77-E151 VanDerWaalsContact NE-CD 3.28Å; R77-E151 IonicContact NE-OE1 3.73Å; R77-E151 PolarHBondContact NE-OE1 3.06Å; R77-E151 IonicContact NE-OE2 3.53Å; R77-E151 PolarHBondContact NE-OE2 3.41Å; R77-E151 IonicContact NH2-OE1 3.99Å; R77-E151 PolarHBondContact NH2-OE1 3.35Å; R77-E151 IonicContact NH2-OE2 2.79Å |
| 78 | K | 98 | Very high | 96.8 | Very high | 47 Ų | 47 | 59.3 Ų | 59.3 | 20% | 0.204 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 120.1 | 163.5 | 179.5 | 178.8 | 176.1 | 172.6 | 0 | 109 | K69 E70 I72 D126 L127 M128 | K69-K78 WeakPolarHBondContact CA-O 3.29Å; E70-K78 HydrophobicContact CB-CB 4.3Å; E70-K78 PolarHBondContact N-O 3.23Å; E70-K78 PolarHBondContact O-N 3.13Å; I72-K78 HydrophobicContact CD1-CB 3.98Å; I72-K78 HydrophobicContact CG1-CB 3.93Å; K78-D126 WeakPolarHBondContact CE-OD2 3.36Å; K78-D126 IonicContact NZ-OD2 3.18Å; K78-D126 PolarHBondContact NZ-OD2 2.79Å; K78-L127 WeakPolarHBondContact CA-O 3.26Å; K78-M128 HydrophobicContact CB-CE 4.15Å; K78-M128 HydrophobicContact CB-SD 4.24Å |
| 79 | F | 98.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 125.4 | 177.6 | -61.7 | -89.8 | 0 | 0 | 0 | 109.6 | L66 K69 R77 F81 D126 L127 I129 L150 | L66-F79 HydrophobicContact CD1-CB 4.07Å; L66-F79 HydrophobicContact CD1-CD1 3.88Å; L66-F79 HydrophobicContact CD1-CG 4.49Å; K69-F79 HydrophobicContact CB-CD1 4.45Å; K69-F79 HydrophobicContact CD-CD1 4.22Å; K69-F79 HydrophobicContact CD-CE1 3.56Å; K69-F79 HydrophobicContact CD-CZ 4.28Å; K69-F79 HydrophobicContact CG-CD1 4.02Å; K69-F79 HydrophobicContact CG-CE1 3.78Å; R77-F79 HydrophobicContact CB-CD2 3.95Å; R77-F79 HydrophobicContact CB-CE1 4.43Å; R77-F79 HydrophobicContact CB-CE2 3.3Å; R77-F79 HydrophobicContact CB-CZ 3.58Å; R77-F79 HydrophobicContact CG-CE2 4.19Å; R77-F79 HydrophobicContact CG-CZ 3.97Å; F79-F81 HydrophobicContact CB-CD2 4.33Å; F79-F81 HydrophobicContact CB-CE2 3.55Å; F79-F81 HydrophobicContact CB-CZ 4.13Å; F79-D126 WeakPolarHBondContact O-CA 2.71Å; F79-L127 PolarHBondContact N-O 3.08Å; F79-L127 PolarHBondContact O-N 2.84Å; F79-I129 HydrophobicContact CD2-CB 4.08Å; F79-I129 HydrophobicContact CD2-CD1 3.93Å; F79-I129 HydrophobicContact CD2-CG1 4.24Å; F79-I129 HydrophobicContact CE2-CB 3.91Å; F79-I129 HydrophobicContact CE2-CD1 4.25Å; F79-I129 HydrophobicContact CE2-CG1 4.5Å; F79-I129 HydrophobicContact CE2-CG2 4.38Å; F79-L150 HydrophobicContact CE1-CB 4.02Å; F79-L150 VanDerWaalsContact CE1-O 3.27Å; F79-L150 WeakPolarHBondContact CE1-O 3.45Å; F79-L150 HydrophobicContact CE2-CB 4.33Å; F79-L150 HydrophobicContact CZ-CB 3.83Å |
| 80 | R | 98.9 | Very high | 96.8 | Very high | 55 Ų | 55 | 50.3 Ų | 50.3 | 21% | 0.208 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 122.1 | 174.3 | -174.8 | 168.1 | -74.4 | -161.8 | -9.5 | 110.2 | I67 R68 F124 V125 D126 | I67-R80 HydrophobicContact CD1-CG 3.86Å; I67-R80 HydrophobicContact CG1-CB 4.2Å; I67-R80 HydrophobicContact CG1-CG 3.8Å; I67-R80 VanDerWaalsContact CG1-O 3.28Å; I67-R80 WeakPolarHBondContact CG1-O 3.49Å; I67-R80 PolarHBondContact N-O 2.98Å; R68-R80 HydrophobicContact CB-CB 3.91Å; R68-R80 PolarHBondContact N-O 3.29Å; R68-R80 PolarHBondContact O-N 3.41Å; R80-F124 HydrophobicContact CG-CB 3.69Å; R80-F124 HydrophobicContact CG-CD2 3.98Å; R80-F124 HydrophobicContact CG-CG 4.02Å; R80-F124 VanDerWaalsContact CZ-CE2 3.45Å; R80-V125 WeakPolarHBondContact CA-O 3.41Å; R80-D126 WeakPolarHBondContact CA-OD1 3.5Å; R80-D126 WeakPolarHBondContact CB-OD1 3.2Å; R80-D126 WeakPolarHBondContact CG-OD1 3.31Å; R80-D126 IonicContact CZ-OD1 2.81Å; R80-D126 IonicContact CZ-OD2 2.7Å; R80-D126 IonicContact NE-OD1 3.84Å; R80-D126 PolarHBondContact NE-OD1 3.49Å; R80-D126 IonicContact NE-OD2 2.93Å; R80-D126 PolarHBondContact NE-OD2 3.11Å; R80-D126 IonicContact NH2-OD1 3.74Å; R80-D126 IonicContact NH2-OD2 2.71Å; R80-D126 PolarHBondContact NH2-OD2 2.88Å |
| 81 | F | 98.9 | Very high | 96.8 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 140.3 | 174.7 | -61.4 | -94.2 | 0 | 0 | 0 | 110.5 | L64 A65 L66 F79 F124 V125 L127 L150 M153 I159 F161 | L64-F81 HydrophobicContact CB-CB 4.06Å; A65-F81 CarbonylContact O-C 3.55Å; A65-F81 WeakPolarHBondContact O-CA 3.22Å; L66-F81 HydrophobicContact CB-CD1 4.16Å; L66-F81 HydrophobicContact CB-CE1 3.88Å; L66-F81 HydrophobicContact CD1-CE1 4.1Å; L66-F81 HydrophobicContact CD1-CE2 4.43Å; L66-F81 HydrophobicContact CD1-CZ 4.07Å; F79-F81 HydrophobicContact CB-CD2 4.33Å; F79-F81 HydrophobicContact CB-CE2 3.55Å; F79-F81 HydrophobicContact CB-CZ 4.13Å; F81-F124 CarbonylContact O-C 3.59Å; F81-F124 WeakPolarHBondContact O-CA 3.35Å; F81-F124 WeakPolarHBondContact O-CB 3.43Å; F81-V125 HydrophobicContact CB-CG1 3.83Å; F81-V125 PolarHBondContact N-O 2.9Å; F81-V125 PolarHBondContact O-N 2.94Å; F81-L127 HydrophobicContact CD2-CD1 4.35Å; F81-L127 HydrophobicContact CD2-CG 4.48Å; F81-L127 HydrophobicContact CE2-CD1 3.9Å; F81-L127 HydrophobicContact CE2-CG 4.33Å; F81-L150 HydrophobicContact CZ-CD2 4.06Å; F81-M153 HydrophobicContact CE1-CE 4.08Å; F81-M153 HydrophobicContact CE1-SD 4.11Å; F81-I159 HydrophobicContact CD1-CG2 4.01Å; F81-I159 HydrophobicContact CE1-CG2 3.39Å; F81-I159 HydrophobicContact CZ-CG2 3.91Å; F81-F161 HydrophobicContact CB-CE2 4.19Å; F81-F161 HydrophobicContact CB-CZ 3.93Å; F81-F161 AromaticContact CD1-CE2 3.87Å; F81-F161 HydrophobicContact CD1-CE2 3.87Å; F81-F161 HydrophobicContact CD1-CZ 4.1Å; F81-F161 HydrophobicContact CD2-CE2 4.2Å; F81-F161 AromaticContact CD2-CZ 3.58Å; F81-F161 HydrophobicContact CD2-CZ 3.58Å; F81-F161 HydrophobicContact CE1-CE2 4.3Å; F81-F161 HydrophobicContact CE2-CZ 4.07Å; F81-F161 AromaticContact CG-CE2 3.82Å; F81-F161 HydrophobicContact CG-CE2 3.82Å; F81-F161 AromaticContact CG-CZ 3.59Å; F81-F161 HydrophobicContact CG-CZ 3.59Å |
| 82 | K | 98.8 | Very high | 96.9 | Very high | 89 Ų | 89 | 42.4 Ų | 42.4 | 39% | 0.387 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 130.6 | 177.9 | 179.3 | 162.6 | -173.8 | 175.4 | 0 | 110.5 | A65 I67 | A65-K82 PolarHBondContact O-N 2.85Å; I67-K82 HydrophobicContact CD1-CB 4.04Å; I67-K82 HydrophobicContact CG1-CB 4.27Å; I67-K82 HydrophobicContact CG2-CB 3.58Å; I67-K82 HydrophobicContact CG2-CD 4.33Å |
| 83 | L | 98.8 | Very high | 97.1 | Very high | 2 Ų | 2 | 40.8 Ų | 40.8 | 1% | 0.01 | 21% | 0.212 | C | C | . | . | trans | -78.4 | 166.5 | 169.2 | -60.7 | -179.5 | 0 | 0 | 0 | 110.2 | T54 L64 T85 H88 I89 L90 G123 V125 | T54-L83 HydrophobicContact CG2-CD2 4.25Å; L64-L83 HydrophobicContact CD1-CD2 3.96Å; L83-T85 PolarHBondContact O-N 2.97Å; L83-T85 VanDerWaalsContact O-N 3.1Å; L83-H88 HydrophobicContact CB-CB 3.91Å; L83-H88 HydrophobicContact CD1-CB 4.32Å; L83-H88 VanDerWaalsContact CD1-O 3.24Å; L83-H88 WeakPolarHBondContact CD1-O 3.48Å; L83-I89 VanDerWaalsContact CD1-C 3.46Å; L83-L90 HydrophobicContact CD2-CD1 3.99Å; L83-G123 PolarHBondContact N-O 3.13Å; L83-V125 HydrophobicContact CD2-CB 4.31Å; L83-V125 HydrophobicContact CD2-CG1 4.09Å | ||
| 84 | P | 98.2 | Very high | 97.5 | Very high | 77 Ų | 77 | 41.2 Ų | 41.2 | 50% | 0.5 | 21% | 0.213 | S | C | . | . | S | Bend | trans | -53.6 | -37.2 | -172.5 | -29.4 | 36.5 | 0 | 0 | 0 | 114.8 | T54 | T54-P84 HydrophobicContact CG2-CG 4.03Å; T54-P84 WeakPolarHBondContact OG1-CD 3.45Å |
| 85 | T | 98 | Very high | 97.7 | Very high | 61 Ų | 61 | 35.4 Ų | 35.4 | 37% | 0.374 | 19% | 0.187 | S | C | . | . | S | Bend | trans | -140.7 | 165.9 | 171.1 | 77.7 | 0 | 0 | 0 | 0 | 110.4 | L83 E87 H88 G123 | L83-T85 PolarHBondContact O-N 2.97Å; L83-T85 VanDerWaalsContact O-N 3.1Å; T85-E87 PolarHBondContact O-N 3.16Å; T85-E87 VanDerWaalsContact O-N 3.08Å; T85-E87 PolarHBondContact OG1-N 3.29Å; T85-H88 PolarHBondContact N-ND1 2.84Å; T85-H88 PolarHBondContact O-N 2.98Å; T85-H88 PolarHBondContact OG1-ND1 3Å; T85-G123 WeakPolarHBondContact O-CA 3.43Å |
| 86 | D | 97.4 | Very high | 98 | Very high | 109 Ų | 109 | 35.4 Ų | 35.4 | 58% | 0.583 | 19% | 0.187 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | -8.1 | 177.7 | -58.2 | -21 | 0 | 0 | 0 | 113.3 | K122 | D86-K122 WeakPolarHBondContact O-CB 3.34Š|
| 87 | E | 97.1 | Very high | 98.2 | Very high | 107 Ų | 107 | 36.7 Ų | 36.7 | 50% | 0.5 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.4 | -8.1 | 175.3 | -66.1 | -58.2 | 154.1 | 0 | 0 | 113.7 | L52 T85 K122 | L52-E87 HydrophobicContact CD1-CB 4.1Å; T85-E87 PolarHBondContact O-N 3.16Å; T85-E87 VanDerWaalsContact O-N 3.08Å; T85-E87 PolarHBondContact OG1-N 3.29Å; E87-K122 IonicContact OE2-NZ 2.7Å; E87-K122 PolarHBondContact OE2-NZ 3Å |
| 88 | H | 98.5 | Very high | 98.3 | Very high | 30 Ų | 30 | 35.8 Ų | 35.8 | 14% | 0.139 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 144.5 | 176.3 | -80.6 | 70.9 | 0 | 0 | 0 | 111.2 | L52 L83 T85 K122 G123 | L52-H88 HydrophobicContact CB-CB 4.45Å; L52-H88 CarbonylContact O-C 3.53Å; L52-H88 VanDerWaalsContact O-CA 3.26Å; L52-H88 WeakPolarHBondContact O-CA 3.27Å; L83-H88 HydrophobicContact CB-CB 3.91Å; L83-H88 HydrophobicContact CD1-CB 4.32Å; L83-H88 VanDerWaalsContact CD1-O 3.24Å; L83-H88 WeakPolarHBondContact CD1-O 3.48Å; T85-H88 PolarHBondContact N-ND1 2.84Å; T85-H88 PolarHBondContact O-N 2.98Å; T85-H88 PolarHBondContact OG1-ND1 3Å; H88-K122 CarbonylContact O-C 3.5Å; H88-K122 WeakPolarHBondContact O-CA 3.42Å; H88-G123 PolarHBondContact O-N 2.95Å |
| 89 | I | 98.3 | Very high | 98.3 | Very high | 7 Ų | 7 | 35 Ų | 35 | 4% | 0.036 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 165.5 | 160.2 | 61 | 169.5 | 0 | 0 | 0 | 108.7 | N51 L52 I53 T54 L83 D119 K122 | N51-I89 HydrophobicContact CB-CD1 3.57Å; N51-I89 HydrophobicContact CB-CG1 3.92Å; N51-I89 HydrophobicContact CB-CG2 4.48Å; L52-I89 WeakPolarHBondContact O-CG1 3.28Å; L52-I89 PolarHBondContact O-N 3.3Å; I53-I89 HydrophobicContact CG1-CD1 4.03Å; I53-I89 HydrophobicContact CG1-CG1 4.11Å; T54-I89 WeakPolarHBondContact CB-O 3.45Å; T54-I89 PolarHBondContact N-O 3.09Å; T54-I89 PolarHBondContact OG1-O 3.05Å; L83-I89 VanDerWaalsContact CD1-C 3.46Å; I89-D119 HydrophobicContact CB-CB 4.14Å; I89-D119 HydrophobicContact CD1-CB 3.79Å; I89-D119 HydrophobicContact CG1-CB 4.5Å; I89-D119 HydrophobicContact CG2-CB 4.45Å; I89-D119 WeakPolarHBondContact CG2-O 3.24Å; I89-K122 HydrophobicContact CG2-CG 4.09Å |
| 90 | L | 98.5 | Very high | 98.3 | Very high | 6 Ų | 6 | 35 Ų | 35 | 3% | 0.031 | 19% | 0.185 | C | C | . | . | trans | -67.5 | -42.2 | 175.8 | -174.2 | 65.1 | 0 | 0 | 0 | 110.6 | T54 L55 L83 L92 I98 P115 D119 V125 | T54-L90 PolarHBondContact N-O 3.3Å; L55-L90 WeakPolarHBondContact CB-O 3.13Å; L55-L90 HydrophobicContact CD1-CD1 3.79Å; L55-L90 HydrophobicContact CD1-CD2 4.31Å; L55-L90 HydrophobicContact CD1-CG 3.71Å; L55-L90 HydrophobicContact CD2-CD1 4.4Å; L55-L90 HydrophobicContact CG-CD1 3.84Å; L55-L90 HydrophobicContact CG-CG 4.14Å; L55-L90 WeakPolarHBondContact CG-O 3.42Å; L55-L90 PolarHBondContact N-O 2.95Å; L83-L90 HydrophobicContact CD2-CD1 3.99Å; L90-L92 HydrophobicContact CD2-CB 3.76Å; L90-L92 HydrophobicContact CD2-CD2 4.1Å; L90-L92 HydrophobicContact CD2-CG 4.5Å; L90-L92 HydrophobicContact CG-CB 4.15Å; L90-I98 HydrophobicContact CD2-CG2 4.29Å; L90-P115 HydrophobicContact CD2-CB 4.4Å; L90-P115 HydrophobicContact CD2-CG 3.76Å; L90-D119 PolarHBondContact N-OD1 2.97Å; L90-V125 HydrophobicContact CD1-CB 4.35Å; L90-V125 HydrophobicContact CD1-CG1 4.45Å; L90-V125 HydrophobicContact CD1-CG2 4.46Å; L90-V125 HydrophobicContact CD2-CB 4.32Å; L90-V125 HydrophobicContact CD2-CG2 3.69Å | ||
| 91 | G | 97.9 | Very high | 98.3 | Very high | 13 Ų | 13 | 33.3 Ų | 33.3 | 13% | 0.134 | 18% | 0.182 | C | C | . | . | trans | 81.3 | 37.7 | -174.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | P93 D119 P164 | G91-P93 WeakPolarHBondContact O-CD 3.47Å; G91-D119 WeakPolarHBondContact CA-OD1 3.36Å; G91-D119 VanDerWaalsContact CA-OD2 3.3Å; G91-D119 WeakPolarHBondContact CA-OD2 3.38Å; G91-D119 PolarHBondContact N-OD1 3.23Å; G91-P164 WeakPolarHBondContact O-CG 3.23Å | ||
| 92 | L | 98.2 | Very high | 98.2 | Very high | 14 Ų | 14 | 33.6 Ų | 33.6 | 7% | 0.073 | 19% | 0.185 | C | C | . | . | trans | -100.5 | 113.4 | -177.4 | -174.3 | 72.3 | 0 | 0 | 0 | 110.5 | L55 L90 Q96 I98 P115 D119 P164 | L55-L92 HydrophobicContact CD1-CD1 4.39Å; L90-L92 HydrophobicContact CD2-CB 3.76Å; L90-L92 HydrophobicContact CD2-CD2 4.1Å; L90-L92 HydrophobicContact CD2-CG 4.5Å; L90-L92 HydrophobicContact CG-CB 4.15Å; L92-Q96 HydrophobicContact CD1-CB 3.68Å; L92-Q96 HydrophobicContact CG-CB 4.18Å; L92-I98 HydrophobicContact CD1-CG2 4.03Å; L92-I98 HydrophobicContact CD2-CG2 4.46Å; L92-P115 HydrophobicContact CD2-CB 4.41Å; L92-P115 VanDerWaalsContact CD2-CD 3.43Å; L92-P115 HydrophobicContact CD2-CG 3.64Å; L92-D119 PolarHBondContact N-OD1 3.24Å; L92-D119 PolarHBondContact N-OD2 2.98Å; L92-P164 HydrophobicContact CD1-CB 3.8Å; L92-P164 HydrophobicContact CD1-CG 4.17Å | ||
| 93 | P | 97.9 | Very high | 98.2 | Very high | 48 Ų | 48 | 36.7 Ų | 36.7 | 31% | 0.312 | 20% | 0.198 | S | C | . | . | trans | -60.3 | 140.3 | 174.5 | -21.4 | 32.3 | 0 | 0 | 0 | 111.9 | G91 G95 Q96 P164 I169 | G91-P93 WeakPolarHBondContact O-CD 3.47Å; P93-G95 PolarHBondContact O-N 3.27Å; P93-Q96 HydrophobicContact CB-CG 3.93Å; P93-Q96 HydrophobicContact CG-CG 4.27Å; P93-Q96 VanDerWaalsContact O-CB 3.25Å; P93-Q96 WeakPolarHBondContact O-CB 3.37Å; P93-Q96 WeakPolarHBondContact O-CG 3.48Å; P93-Q96 PolarHBondContact O-N 3.49Å; P93-P164 HydrophobicContact CG-CG 4.43Å; P93-I169 HydrophobicContact CB-CD1 4.13Å; P93-I169 HydrophobicContact CB-CG1 4.25Å; P93-I169 HydrophobicContact CB-CG2 3.76Å | ||
| 94 | V | 98.4 | Very high | 98.1 | Very high | 40 Ų | 40 | 37.8 Ų | 37.8 | 24% | 0.242 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58 | 123.5 | -178 | -178.5 | 0 | 0 | 0 | 0 | 110.8 | I169 Y170 Q208 I209 A212 | V94-I169 CarbonylContact O-C 3.47Å; V94-I169 WeakPolarHBondContact O-CA 3.48Å; V94-Y170 HydrophobicContact CG1-CD1 4.42Å; V94-Y170 PolarHBondContact O-N 2.84Å; V94-Q208 HydrophobicContact CG1-CB 4.27Å; V94-Q208 WeakPolarHBondContact CG1-O 3.43Å; V94-I209 HydrophobicContact CG1-CG1 3.92Å; V94-A212 HydrophobicContact CB-CB 4.49Å; V94-A212 HydrophobicContact CG1-CB 3.82Å; V94-A212 HydrophobicContact CG2-CB 3.93Å |
| 95 | G | 97.7 | Very high | 97.9 | Very high | 2 Ų | 2 | 41.2 Ų | 41.2 | 2% | 0.021 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 96.9 | -2.9 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | P93 I168 F322 | P93-G95 PolarHBondContact O-N 3.27Å; G95-I168 CarbonylContact C-O 3.53Å; G95-F322 WeakPolarHBondContact O-CE1 3.4Å |
| 96 | Q | 98.2 | Very high | 97.7 | Very high | 15 Ų | 15 | 46.4 Ų | 46.4 | 7% | 0.07 | 24% | 0.238 | C | C | . | . | trans | -94.3 | 167.5 | 170.9 | -59.8 | -81 | -67.6 | 0 | 0 | 111 | L92 P93 P164 S165 G166 I168 I169 Q208 | L92-Q96 HydrophobicContact CD1-CB 3.68Å; L92-Q96 HydrophobicContact CG-CB 4.18Å; P93-Q96 HydrophobicContact CB-CG 3.93Å; P93-Q96 HydrophobicContact CG-CG 4.27Å; P93-Q96 VanDerWaalsContact O-CB 3.25Å; P93-Q96 WeakPolarHBondContact O-CB 3.37Å; P93-Q96 WeakPolarHBondContact O-CG 3.48Å; P93-Q96 PolarHBondContact O-N 3.49Å; Q96-P164 HydrophobicContact CB-CB 4.27Å; Q96-P164 HydrophobicContact CG-CB 4.42Å; Q96-S165 CarbonylContact C-O 3.58Å; Q96-S165 WeakPolarHBondContact CA-O 3.37Å; Q96-S165 WeakPolarHBondContact CB-O 3.36Å; Q96-S165 PolarHBondContact OE1-O 2.87Å; Q96-G166 VanDerWaalsContact NE2-CA 3.33Å; Q96-G166 PolarHBondContact NE2-O 2.83Å; Q96-G166 PolarHBondContact OE1-O 2.81Å; Q96-I168 PolarHBondContact NE2-O 2.79Å; Q96-I169 HydrophobicContact CG-CD1 4.45Å; Q96-I169 HydrophobicContact CG-CG1 3.95Å; Q96-Q208 PolarHBondContact O-OE1 3Å | ||
| 97 | H | 98.5 | Very high | 97.7 | Very high | 30 Ų | 30 | 48.2 Ų | 48.2 | 14% | 0.139 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 168.6 | 176.3 | 57.8 | -97.8 | 0 | 0 | 0 | 111.1 | H99 Y113 S165 | H97-H99 AromaticContact CD2-CE1 3.67Å; H97-H99 AromaticContact NE2-CE1 3.4Å; H97-H99 PolarHBondContact NE2-CE1 3.27Å; H97-Y113 WeakPolarHBondContact CB-O 3.18Å; H97-S165 PolarHBondContact CE1-O 3.1Å; H97-S165 PolarHBondContact N-O 3.3Å; H97-S165 PolarHBondContact ND1-O 3.47Å; H97-S165 PolarHBondContact NE2-OG 3.21Å; H97-S165 PolarHBondContact O-N 3.13Å |
| 98 | I | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 161.3 | 169.8 | 60.3 | 83.7 | 0 | 0 | 0 | 110 | L55 L90 L92 L100 P112 Y113 P115 L127 F161 R162 | L55-I98 HydrophobicContact CD1-CG2 3.6Å; L90-I98 HydrophobicContact CD2-CG2 4.29Å; L92-I98 HydrophobicContact CD1-CG2 4.03Å; L92-I98 HydrophobicContact CD2-CG2 4.46Å; I98-L100 HydrophobicContact CD1-CD2 3.51Å; I98-L100 HydrophobicContact CD1-CG 3.71Å; I98-P112 CarbonylContact O-C 3.56Å; I98-P112 VanDerWaalsContact O-CA 3.27Å; I98-P112 WeakPolarHBondContact O-CA 3.41Å; I98-Y113 PolarHBondContact N-O 3.41Å; I98-Y113 PolarHBondContact O-N 3.05Å; I98-P115 HydrophobicContact CG1-CG 4.17Å; I98-L127 HydrophobicContact CD1-CD1 4.47Å; I98-F161 HydrophobicContact CB-CD1 4.36Å; I98-F161 HydrophobicContact CD1-CD1 3.62Å; I98-F161 HydrophobicContact CD1-CE1 3.73Å; I98-F161 HydrophobicContact CD1-CG 4.47Å; I98-F161 HydrophobicContact CG1-CD1 3.87Å; I98-F161 HydrophobicContact CG1-CE1 4.1Å; I98-R162 CarbonylContact C-O 3.57Å; I98-R162 WeakPolarHBondContact CA-O 3.41Å |
| 99 | H | 98.7 | Very high | 97.7 | Very high | 29 Ų | 29 | 48.3 Ų | 48.3 | 13% | 0.134 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 129.1 | 168.5 | -67.8 | 73.5 | 0 | 0 | 0 | 108.9 | H97 V110 R111 F161 R162 S165 | H97-H99 AromaticContact CD2-CE1 3.67Å; H97-H99 AromaticContact NE2-CE1 3.4Å; H97-H99 PolarHBondContact NE2-CE1 3.27Å; H99-V110 HydrophobicContact CB-CG1 3.88Å; H99-R111 WeakPolarHBondContact CA-O 3.28Å; H99-F161 CarbonylContact O-C 3.51Å; H99-F161 WeakPolarHBondContact O-CA 3.36Å; H99-R162 HydrophobicContact CB-CB 4.44Å; H99-R162 VanDerWaalsContact CG-NH2 3.32Å; H99-R162 PolarHBondContact N-O 3.08Å; H99-R162 PolarHBondContact ND1-NH2 3.34Å; H99-R162 PolarHBondContact O-N 3.18Å; H99-S165 PolarHBondContact CE1-OG 3.4Å |
| 100 | L | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 138.9 | 164.2 | -62.8 | -176.9 | 0 | 0 | 0 | 109.4 | I98 V110 R111 Y113 L127 M146 L150 I159 N160 F161 | I98-L100 HydrophobicContact CD1-CD2 3.51Å; I98-L100 HydrophobicContact CD1-CG 3.71Å; L100-V110 CarbonylContact O-C 3.54Å; L100-V110 VanDerWaalsContact O-CA 3.28Å; L100-V110 WeakPolarHBondContact O-CA 3.31Å; L100-R111 PolarHBondContact N-O 3.08Å; L100-R111 PolarHBondContact O-N 3.1Å; L100-Y113 HydrophobicContact CB-CD2 3.94Å; L100-Y113 HydrophobicContact CB-CE2 3.97Å; L100-Y113 HydrophobicContact CD1-CD2 3.51Å; L100-Y113 HydrophobicContact CD1-CE2 3.67Å; L100-Y113 HydrophobicContact CD1-CG 4.21Å; L100-Y113 HydrophobicContact CG-CD2 3.58Å; L100-Y113 HydrophobicContact CG-CE2 3.99Å; L100-Y113 HydrophobicContact CG-CG 4.47Å; L100-L127 HydrophobicContact CD1-CD1 3.7Å; L100-L127 HydrophobicContact CD2-CD1 4.39Å; L100-L127 HydrophobicContact CG-CD1 4.36Å; L100-M146 HydrophobicContact CB-CE 4.15Å; L100-M146 HydrophobicContact CB-SD 4.4Å; L100-M146 WeakPolarHBondContact O-CE 3.42Å; L100-L150 HydrophobicContact CD1-CD1 3.97Å; L100-L150 HydrophobicContact CD1-CD2 4.27Å; L100-I159 HydrophobicContact CB-CD1 3.91Å; L100-I159 HydrophobicContact CB-CG1 4.47Å; L100-I159 HydrophobicContact CD1-CD1 4.17Å; L100-I159 HydrophobicContact CD2-CG2 4.09Å; L100-I159 HydrophobicContact CG-CD1 4.43Å; L100-N160 CarbonylContact C-O 3.55Å; L100-N160 WeakPolarHBondContact CA-O 3.47Å; L100-F161 HydrophobicContact CD2-CD1 3.91Å; L100-F161 HydrophobicContact CD2-CD2 3.65Å; L100-F161 HydrophobicContact CD2-CE1 3.77Å; L100-F161 HydrophobicContact CD2-CE2 3.49Å; L100-F161 VanDerWaalsContact CD2-CE2 3.49Å; L100-F161 HydrophobicContact CD2-CG 3.84Å; L100-F161 HydrophobicContact CD2-CZ 3.55Å |
| 101 | S | 98.6 | Very high | 97.7 | Very high | 20 Ų | 20 | 55.7 Ų | 55.7 | 14% | 0.14 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 138.5 | 173.2 | 66.3 | 0 | 0 | 0 | 0 | 112.8 | V109 I159 N160 | S101-V109 VanDerWaalsContact CA-O 3.29Å; S101-V109 WeakPolarHBondContact CA-O 3.46Å; S101-I159 WeakPolarHBondContact O-CG1 3.49Å; S101-N160 PolarHBondContact N-O 2.82Å; S101-N160 PolarHBondContact O-N 3.5Å; S101-N160 WeakPolarHBondContact OG-CB 3.4Å |
| 102 | A | 98.1 | Very high | 97.7 | Very high | 7 Ų | 7 | 58.6 Ų | 58.6 | 6% | 0.058 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 153.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | I104 V109 M146 Y149 I159 | A102-I104 HydrophobicContact CB-CG1 4.21Å; A102-V109 PolarHBondContact N-O 2.8Å; A102-V109 VanDerWaalsContact N-O 3.08Å; A102-V109 PolarHBondContact O-N 3.48Å; A102-M146 HydrophobicContact CB-CE 4.31Å; A102-M146 HydrophobicContact CB-SD 4.44Å; A102-Y149 HydrophobicContact CB-CD1 3.87Å; A102-Y149 HydrophobicContact CB-CE1 3.47Å; A102-Y149 VanDerWaalsContact CB-CE1 3.47Å; A102-Y149 HydrophobicContact CB-CE2 4.33Å; A102-Y149 HydrophobicContact CB-CG 4.45Å; A102-I159 HydrophobicContact CB-CD1 4.29Å; A102-I159 HydrophobicContact CB-CG1 4.39Å |
| 103 | K | 97.5 | Very high | 97.7 | Very high | 154 Ų | 154 | 59.4 Ų | 59.4 | 67% | 0.67 | 30% | 0.297 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 109 | 171.1 | -170.9 | 173.3 | 178.8 | 177.8 | 0 | 108.7 | E106 K107 | K103-E106 WeakPolarHBondContact CE-O 3.17Å; K103-K107 WeakPolarHBondContact CA-O 3.13Å |
| 104 | I | 96.2 | Very high | 97.7 | Very high | 24 Ų | 24 | 58.2 Ų | 58.2 | 12% | 0.123 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 120.1 | -177.5 | -54.6 | 173.8 | 0 | 0 | 0 | 108 | A102 E106 K107 V109 Y149 | A102-I104 HydrophobicContact CB-CG1 4.21Å; I104-E106 VanDerWaalsContact C-N 3.25Å; I104-E106 PolarHBondContact O-N 3.22Å; I104-K107 PolarHBondContact N-O 3.4Å; I104-K107 PolarHBondContact O-N 3.36Å; I104-V109 HydrophobicContact CB-CG2 3.98Å; I104-V109 HydrophobicContact CD1-CB 3.88Å; I104-V109 HydrophobicContact CD1-CG1 4.23Å; I104-V109 HydrophobicContact CD1-CG2 3.95Å; I104-V109 HydrophobicContact CG1-CB 4.39Å; I104-V109 HydrophobicContact CG1-CG2 4.21Å; I104-Y149 HydrophobicContact CD1-CD2 4.27Å; I104-Y149 HydrophobicContact CD1-CG 3.89Å; I104-Y149 HydrophobicContact CG1-CD2 3.89Å; I104-Y149 HydrophobicContact CG1-CG 4.02Å |
| 105 | N | 93.7 | Very high | 97.7 | Very high | 149 Ų | 149 | 56.3 Ų | 56.3 | 80% | 0.797 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.6 | 51.1 | -173.7 | -57.9 | -20.4 | 0 | 0 | 0 | 111.3 | K107 | N105-K107 PolarHBondContact O-N 3.37Š|
| 106 | E | 94.3 | Very high | 97.7 | Very high | 170 Ų | 170 | 58 Ų | 58 | 79% | 0.794 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.1 | -1 | -178.1 | -52.9 | -173.2 | 142.2 | 0 | 0 | 117 | K103 I104 | K103-E106 WeakPolarHBondContact CE-O 3.17Å; I104-E106 VanDerWaalsContact C-N 3.25Å; I104-E106 PolarHBondContact O-N 3.22Å |
| 107 | K | 97.2 | Very high | 97.7 | Very high | 148 Ų | 148 | 57.9 Ų | 57.9 | 64% | 0.643 | 29% | 0.286 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 136 | -179.8 | -65.2 | 177.4 | -176.8 | -179.7 | 0 | 110.5 | K103 I104 N105 V109 | K103-K107 WeakPolarHBondContact CA-O 3.13Å; I104-K107 PolarHBondContact N-O 3.4Å; I104-K107 PolarHBondContact O-N 3.36Å; N105-K107 PolarHBondContact O-N 3.37Å; K107-V109 PolarHBondContact O-N 2.79Å |
| 108 | L | 97.9 | Very high | 97.6 | Very high | 129 Ų | 129 | 58.6 Ų | 58.6 | 68% | 0.675 | 29% | 0.294 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 119 | 170.1 | -178.4 | 63.6 | 0 | 0 | 0 | 109.2 | V110 | L108-V110 HydrophobicContact CD1-CG2 4.43Å; L108-V110 HydrophobicContact CD2-CG2 4.29Å; L108-V110 HydrophobicContact CG-CG2 4.01Å |
| 109 | V | 98.3 | Very high | 97.5 | Very high | 10 Ų | 10 | 60.9 Ų | 60.9 | 6% | 0.061 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 124.2 | 174.6 | -179.5 | 0 | 0 | 0 | 0 | 108.1 | S101 A102 I104 K107 R111 K145 M146 | S101-V109 VanDerWaalsContact CA-O 3.29Å; S101-V109 WeakPolarHBondContact CA-O 3.46Å; A102-V109 PolarHBondContact N-O 2.8Å; A102-V109 VanDerWaalsContact N-O 3.08Å; A102-V109 PolarHBondContact O-N 3.48Å; I104-V109 HydrophobicContact CB-CG2 3.98Å; I104-V109 HydrophobicContact CD1-CB 3.88Å; I104-V109 HydrophobicContact CD1-CG1 4.23Å; I104-V109 HydrophobicContact CD1-CG2 3.95Å; I104-V109 HydrophobicContact CG1-CB 4.39Å; I104-V109 HydrophobicContact CG1-CG2 4.21Å; K107-V109 PolarHBondContact O-N 2.79Å; V109-R111 HydrophobicContact CG1-CG 4.34Å; V109-K145 HydrophobicContact CG1-CB 4.35Å; V109-K145 HydrophobicContact CG2-CD 4.47Å; V109-M146 HydrophobicContact CB-CE 4.4Å; V109-M146 HydrophobicContact CG1-CB 4.33Å; V109-M146 HydrophobicContact CG1-CE 4.15Å; V109-M146 WeakPolarHBondContact O-CE 3.4Å |
| 110 | V | 98.4 | Very high | 97.3 | Very high | 54 Ų | 54 | 64.8 Ų | 64.8 | 33% | 0.327 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 131.5 | 177.5 | -169.9 | 0 | 0 | 0 | 0 | 109.3 | H99 L100 L108 | H99-V110 HydrophobicContact CB-CG1 3.88Å; L100-V110 CarbonylContact O-C 3.54Å; L100-V110 VanDerWaalsContact O-CA 3.28Å; L100-V110 WeakPolarHBondContact O-CA 3.31Å; L108-V110 HydrophobicContact CD1-CG2 4.43Å; L108-V110 HydrophobicContact CD2-CG2 4.29Å; L108-V110 HydrophobicContact CG-CG2 4.01Å |
| 111 | R | 98.2 | Very high | 97.2 | Very high | 113 Ų | 113 | 67.4 Ų | 67.4 | 43% | 0.426 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 138.7 | 179.1 | -69.9 | -63.7 | -179.7 | -88.7 | 5.3 | 111.6 | H99 L100 V109 Y113 M146 | H99-R111 WeakPolarHBondContact CA-O 3.28Å; L100-R111 PolarHBondContact N-O 3.08Å; L100-R111 PolarHBondContact O-N 3.1Å; V109-R111 HydrophobicContact CG1-CG 4.34Å; R111-Y113 HydrophobicContact CB-CD2 4.33Å; R111-Y113 HydrophobicContact CB-CE2 3.53Å; R111-Y113 WeakPolarHBondContact O-CD2 3.34Å; R111-M146 HydrophobicContact CB-CB 4.25Å; R111-M146 HydrophobicContact CB-CG 4.22Å; R111-M146 HydrophobicContact CG-CB 3.72Å; R111-M146 HydrophobicContact CG-CG 4.22Å |
| 112 | P | 98 | Very high | 97.2 | Very high | 74 Ų | 74 | 71 Ų | 71 | 48% | 0.481 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 144.4 | 174 | 32.7 | -34.3 | 0 | 0 | 0 | 110.9 | I98 | I98-P112 CarbonylContact O-C 3.56Å; I98-P112 VanDerWaalsContact O-CA 3.27Å; I98-P112 WeakPolarHBondContact O-CA 3.41Å |
| 113 | Y | 98.3 | Very high | 97.2 | Very high | 32 Ų | 32 | 70.9 Ų | 70.9 | 13% | 0.125 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 138.3 | 173.3 | -67.4 | -84.2 | 0 | 0 | 0 | 109.7 | H97 I98 L100 R111 P115 I129 M146 | H97-Y113 WeakPolarHBondContact CB-O 3.18Å; I98-Y113 PolarHBondContact N-O 3.41Å; I98-Y113 PolarHBondContact O-N 3.05Å; L100-Y113 HydrophobicContact CB-CD2 3.94Å; L100-Y113 HydrophobicContact CB-CE2 3.97Å; L100-Y113 HydrophobicContact CD1-CD2 3.51Å; L100-Y113 HydrophobicContact CD1-CE2 3.67Å; L100-Y113 HydrophobicContact CD1-CG 4.21Å; L100-Y113 HydrophobicContact CG-CD2 3.58Å; L100-Y113 HydrophobicContact CG-CE2 3.99Å; L100-Y113 HydrophobicContact CG-CG 4.47Å; R111-Y113 HydrophobicContact CB-CD2 4.33Å; R111-Y113 HydrophobicContact CB-CE2 3.53Å; R111-Y113 WeakPolarHBondContact O-CD2 3.34Å; Y113-P115 WeakPolarHBondContact O-CD 3.34Å; Y113-I129 HydrophobicContact CD1-CD1 3.64Å; Y113-I129 HydrophobicContact CD1-CG1 3.78Å; Y113-I129 HydrophobicContact CE1-CD1 3.61Å; Y113-I129 HydrophobicContact CE1-CG1 3.85Å; Y113-I129 HydrophobicContact CE1-CG2 4.07Å; Y113-I129 HydrophobicContact CG-CD1 4.33Å; Y113-M146 HydrophobicContact CE2-CG 3.81Å; Y113-M146 WeakPolarHBondContact OH-CB 3.45Å; Y113-M146 WeakPolarHBondContact OH-CG 3.25Å |
| 114 | T | 98.3 | Very high | 97.3 | Very high | 22 Ų | 22 | 65.3 Ų | 65.3 | 14% | 0.135 | 33% | 0.332 | C | S | . | . | trans | -100.3 | 115.5 | 176.4 | -54.4 | 0 | 0 | 0 | 0 | 108.9 | P205 Q208 | T114-P205 HydrophobicContact CG2-CB 4.27Å; T114-Q208 HydrophobicContact CG2-CG 3.92Å | ||
| 115 | P | 98.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 64.2 Ų | 64.2 | 0% | 0 | 33% | 0.326 | C | S | . | . | trans | -59.1 | 146.5 | 174.4 | -25.3 | 35.5 | 0 | 0 | 0 | 112.9 | L90 L92 I98 Y113 V125 D126 L127 Q208 | L90-P115 HydrophobicContact CD2-CB 4.4Å; L90-P115 HydrophobicContact CD2-CG 3.76Å; L92-P115 HydrophobicContact CD2-CB 4.41Å; L92-P115 VanDerWaalsContact CD2-CD 3.43Å; L92-P115 HydrophobicContact CD2-CG 3.64Å; I98-P115 HydrophobicContact CG1-CG 4.17Å; Y113-P115 WeakPolarHBondContact O-CD 3.34Å; P115-V125 HydrophobicContact CB-CG2 3.7Å; P115-V125 HydrophobicContact CG-CG2 3.81Å; P115-D126 WeakPolarHBondContact CA-O 3.25Å; P115-L127 HydrophobicContact CB-CD2 3.96Å; P115-L127 HydrophobicContact CG-CD2 3.77Å; P115-Q208 WeakPolarHBondContact O-CG 3.37Å; P115-Q208 PolarHBondContact O-NE2 3.04Å | ||
| 116 | I | 97.3 | Very high | 97.6 | Very high | 39 Ų | 39 | 57.4 Ų | 57.4 | 20% | 0.2 | 29% | 0.289 | C | S | . | . | S | Bend | trans | -96.1 | -14.8 | 172.3 | 59.3 | 155.9 | 0 | 0 | 0 | 112.4 | D126 M128 T204 L207 L237 | I116-D126 HydrophobicContact CD1-CB 4.34Å; I116-D126 HydrophobicContact CG1-CB 3.91Å; I116-D126 WeakPolarHBondContact CG1-O 3.34Å; I116-D126 PolarHBondContact N-O 2.75Å; I116-M128 HydrophobicContact CD1-CB 4.02Å; I116-M128 HydrophobicContact CD1-CE 4.14Å; I116-M128 HydrophobicContact CG1-CB 4.34Å; I116-M128 HydrophobicContact CG2-CB 3.85Å; I116-T204 HydrophobicContact CG2-CG2 4.03Å; I116-L207 HydrophobicContact CB-CD2 4.45Å; I116-L207 HydrophobicContact CG2-CD2 4.32Å; I116-L237 HydrophobicContact CD1-CD2 4.42Å; I116-L237 HydrophobicContact CG2-CD1 4.13Å |
| 117 | S | 97.8 | Very high | 97.8 | Very high | 11 Ų | 11 | 49.3 Ų | 49.3 | 8% | 0.077 | 25% | 0.251 | C | S | . | . | S | Bend | trans | -77.3 | 159.1 | 165.5 | 57.2 | 0 | 0 | 0 | 0 | 110.6 | D121 V125 D126 | S117-D121 WeakPolarHBondContact CA-OD2 3.32Å; S117-D121 VanDerWaalsContact CB-OD2 3.32Å; S117-D121 WeakPolarHBondContact CB-OD2 3.49Å; S117-V125 WeakPolarHBondContact OG-CA 3.2Å; S117-D126 PolarHBondContact OG-N 2.81Å |
| 118 | S | 96.8 | Very high | 97.8 | Very high | 45 Ų | 45 | 43.2 Ų | 43.2 | 32% | 0.315 | 23% | 0.226 | S | C | . | . | trans | -118.7 | 178.6 | 175.9 | 75.7 | 0 | 0 | 0 | 0 | 111.5 | D120 D121 | S118-D120 PolarHBondContact O-N 3.27Å; S118-D120 VanDerWaalsContact O-N 3.14Å; S118-D120 WeakPolarHBondContact OG-CB 3.37Å; S118-D120 PolarHBondContact OG-N 2.98Å; S118-D120 PolarHBondContact OG-OD2 2.99Å; S118-D121 PolarHBondContact N-OD2 2.94Å; S118-D121 WeakPolarHBondContact O-CB 3.31Å; S118-D121 PolarHBondContact O-N 3.34Å | ||
| 119 | D | 96.6 | Very high | 97.8 | Very high | 49 Ų | 49 | 37.3 Ų | 37.3 | 26% | 0.262 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71 | 1.6 | 173.3 | -73.6 | -14.9 | 0 | 0 | 0 | 113.4 | I89 L90 G91 L92 D121 | I89-D119 HydrophobicContact CB-CB 4.14Å; I89-D119 HydrophobicContact CD1-CB 3.79Å; I89-D119 HydrophobicContact CG1-CB 4.5Å; I89-D119 HydrophobicContact CG2-CB 4.45Å; I89-D119 WeakPolarHBondContact CG2-O 3.24Å; L90-D119 PolarHBondContact N-OD1 2.97Å; G91-D119 WeakPolarHBondContact CA-OD1 3.36Å; G91-D119 VanDerWaalsContact CA-OD2 3.3Å; G91-D119 WeakPolarHBondContact CA-OD2 3.38Å; G91-D119 PolarHBondContact N-OD1 3.23Å; L92-D119 PolarHBondContact N-OD1 3.24Å; L92-D119 PolarHBondContact N-OD2 2.98Å; D119-D121 VanDerWaalsContact C-N 3.31Å |
| 120 | D | 95 | Very high | 97.6 | Very high | 110 Ų | 110 | 38.5 Ų | 38.5 | 59% | 0.588 | 20% | 0.199 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.1 | -22.5 | 165.1 | -55 | -21.3 | 0 | 0 | 0 | 111.1 | S118 K215 | S118-D120 PolarHBondContact O-N 3.27Å; S118-D120 VanDerWaalsContact O-N 3.14Å; S118-D120 WeakPolarHBondContact OG-CB 3.37Å; S118-D120 PolarHBondContact OG-N 2.98Å; S118-D120 PolarHBondContact OG-OD2 2.99Å; D120-K215 IonicContact OD1-NZ 3.54Å; D120-K215 PolarHBondContact OD1-NZ 3.47Å; D120-K215 WeakPolarHBondContact OD2-CD 3.26Å; D120-K215 IonicContact OD2-NZ 2.9Å; D120-K215 PolarHBondContact OD2-NZ 2.98Å |
| 121 | D | 97.1 | Very high | 97.5 | Very high | 56 Ų | 56 | 36 Ų | 36 | 30% | 0.299 | 18% | 0.184 | S | C | . | . | S | Bend | trans | -86.4 | 114.8 | 176.3 | -59.8 | -72.8 | 0 | 0 | 0 | 109.9 | S117 S118 D119 F124 | S117-D121 WeakPolarHBondContact CA-OD2 3.32Å; S117-D121 VanDerWaalsContact CB-OD2 3.32Å; S117-D121 WeakPolarHBondContact CB-OD2 3.49Å; S118-D121 PolarHBondContact N-OD2 2.94Å; S118-D121 WeakPolarHBondContact O-CB 3.31Å; S118-D121 PolarHBondContact O-N 3.34Å; D119-D121 VanDerWaalsContact C-N 3.31Å; D121-F124 HydrophobicContact CB-CE1 4.31Å; D121-F124 HydrophobicContact CB-CE2 3.93Å; D121-F124 HydrophobicContact CB-CZ 3.72Å |
| 122 | K | 97.9 | Very high | 97.3 | Very high | 94 Ų | 94 | 35.9 Ų | 35.9 | 41% | 0.409 | 18% | 0.184 | S | C | . | . | trans | -95.9 | 147.7 | 177.2 | -65.5 | -177.8 | 166.2 | -167.5 | 0 | 112.2 | D86 E87 H88 I89 F124 | D86-K122 WeakPolarHBondContact O-CB 3.34Å; E87-K122 IonicContact OE2-NZ 2.7Å; E87-K122 PolarHBondContact OE2-NZ 3Å; H88-K122 CarbonylContact O-C 3.5Å; H88-K122 WeakPolarHBondContact O-CA 3.42Å; I89-K122 HydrophobicContact CG2-CG 4.09Å; K122-F124 VanDerWaalsContact O-CD1 3.25Å; K122-F124 WeakPolarHBondContact O-CD1 3.32Å; K122-F124 PolarHBondContact O-N 2.85Å | ||
| 123 | G | 98.3 | Very high | 97.2 | Very high | 6 Ų | 6 | 35.3 Ų | 35.3 | 6% | 0.062 | 17% | 0.174 | C | C | . | . | S | Bend | trans | 80.2 | -12.1 | 172.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | L83 T85 H88 | L83-G123 PolarHBondContact N-O 3.13Å; T85-G123 WeakPolarHBondContact O-CA 3.43Å; H88-G123 PolarHBondContact O-N 2.95Å |
| 124 | F | 98.7 | Very high | 97.1 | Very high | 37 Ų | 37 | 40.9 Ų | 40.9 | 16% | 0.162 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.6 | 163.3 | 179.6 | 67.9 | -91.5 | 0 | 0 | 0 | 113.4 | R80 F81 D121 K122 D126 | R80-F124 HydrophobicContact CG-CB 3.69Å; R80-F124 HydrophobicContact CG-CD2 3.98Å; R80-F124 HydrophobicContact CG-CG 4.02Å; R80-F124 VanDerWaalsContact CZ-CE2 3.45Å; F81-F124 CarbonylContact O-C 3.59Å; F81-F124 WeakPolarHBondContact O-CA 3.35Å; F81-F124 WeakPolarHBondContact O-CB 3.43Å; D121-F124 HydrophobicContact CB-CE1 4.31Å; D121-F124 HydrophobicContact CB-CE2 3.93Å; D121-F124 HydrophobicContact CB-CZ 3.72Å; K122-F124 VanDerWaalsContact O-CD1 3.25Å; K122-F124 WeakPolarHBondContact O-CD1 3.32Å; K122-F124 PolarHBondContact O-N 2.85Å; F124-D126 WeakPolarHBondContact CE2-OD2 3.31Å |
| 125 | V | 98.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 132.3 | 165.8 | 55.9 | 0 | 0 | 0 | 0 | 109.3 | L64 R80 F81 L83 L90 P115 S117 L127 F161 | L64-V125 HydrophobicContact CD1-CG1 4.12Å; R80-V125 WeakPolarHBondContact CA-O 3.41Å; F81-V125 HydrophobicContact CB-CG1 3.83Å; F81-V125 PolarHBondContact N-O 2.9Å; F81-V125 PolarHBondContact O-N 2.94Å; L83-V125 HydrophobicContact CD2-CB 4.31Å; L83-V125 HydrophobicContact CD2-CG1 4.09Å; L90-V125 HydrophobicContact CD1-CB 4.35Å; L90-V125 HydrophobicContact CD1-CG1 4.45Å; L90-V125 HydrophobicContact CD1-CG2 4.46Å; L90-V125 HydrophobicContact CD2-CB 4.32Å; L90-V125 HydrophobicContact CD2-CG2 3.69Å; P115-V125 HydrophobicContact CB-CG2 3.7Å; P115-V125 HydrophobicContact CG-CG2 3.81Å; S117-V125 WeakPolarHBondContact OG-CA 3.2Å; V125-L127 HydrophobicContact CG2-CD2 4.32Å; V125-F161 HydrophobicContact CG1-CE1 3.8Å; V125-F161 HydrophobicContact CG1-CZ 4.06Å |
| 126 | D | 98.7 | Very high | 96.6 | Very high | 6 Ų | 6 | 51.5 Ų | 51.5 | 3% | 0.032 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 129.7 | 177.8 | -77.2 | -22.7 | 0 | 0 | 0 | 111.3 | K78 F79 R80 P115 I116 S117 F124 | K78-D126 WeakPolarHBondContact CE-OD2 3.36Å; K78-D126 IonicContact NZ-OD2 3.18Å; K78-D126 PolarHBondContact NZ-OD2 2.79Å; F79-D126 WeakPolarHBondContact O-CA 2.71Å; R80-D126 WeakPolarHBondContact CA-OD1 3.5Å; R80-D126 WeakPolarHBondContact CB-OD1 3.2Å; R80-D126 WeakPolarHBondContact CG-OD1 3.31Å; R80-D126 IonicContact CZ-OD1 2.81Å; R80-D126 IonicContact CZ-OD2 2.7Å; R80-D126 IonicContact NE-OD1 3.84Å; R80-D126 PolarHBondContact NE-OD1 3.49Å; R80-D126 IonicContact NE-OD2 2.93Å; R80-D126 PolarHBondContact NE-OD2 3.11Å; R80-D126 IonicContact NH2-OD1 3.74Å; R80-D126 IonicContact NH2-OD2 2.71Å; R80-D126 PolarHBondContact NH2-OD2 2.88Å; P115-D126 WeakPolarHBondContact CA-O 3.25Å; I116-D126 HydrophobicContact CD1-CB 4.34Å; I116-D126 HydrophobicContact CG1-CB 3.91Å; I116-D126 WeakPolarHBondContact CG1-O 3.34Å; I116-D126 PolarHBondContact N-O 2.75Å; S117-D126 PolarHBondContact OG-N 2.81Å; F124-D126 WeakPolarHBondContact CE2-OD2 3.31Å |
| 127 | L | 98.5 | Very high | 96.2 | Very high | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 126.2 | 172.4 | -54.6 | -176.9 | 0 | 0 | 0 | 110 | K78 F79 F81 I98 L100 P115 V125 I129 F161 | K78-L127 WeakPolarHBondContact CA-O 3.26Å; F79-L127 PolarHBondContact N-O 3.08Å; F79-L127 PolarHBondContact O-N 2.84Å; F81-L127 HydrophobicContact CD2-CD1 4.35Å; F81-L127 HydrophobicContact CD2-CG 4.48Å; F81-L127 HydrophobicContact CE2-CD1 3.9Å; F81-L127 HydrophobicContact CE2-CG 4.33Å; I98-L127 HydrophobicContact CD1-CD1 4.47Å; L100-L127 HydrophobicContact CD1-CD1 3.7Å; L100-L127 HydrophobicContact CD2-CD1 4.39Å; L100-L127 HydrophobicContact CG-CD1 4.36Å; P115-L127 HydrophobicContact CB-CD2 3.96Å; P115-L127 HydrophobicContact CG-CD2 3.77Å; V125-L127 HydrophobicContact CG2-CD2 4.32Å; L127-I129 HydrophobicContact CB-CD1 3.84Å; L127-I129 HydrophobicContact CB-CG1 4.02Å; L127-I129 HydrophobicContact CD1-CD1 4.09Å; L127-F161 HydrophobicContact CD1-CE1 4.34Å; L127-F161 HydrophobicContact CD1-CZ 4.23Å |
| 128 | M | 97.4 | Very high | 95.8 | Very high | 21 Ų | 21 | 59.2 Ų | 59.2 | 10% | 0.103 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 114.7 | 169.6 | -172.1 | 63.6 | 77.9 | 0 | 0 | 109.2 | I72 T76 K78 I116 L236 L237 | I72-M128 HydrophobicContact CB-SD 4.47Å; I72-M128 HydrophobicContact CD1-CE 4.37Å; I72-M128 HydrophobicContact CG1-CE 3.98Å; I72-M128 HydrophobicContact CG1-SD 3.89Å; I72-M128 HydrophobicContact CG2-CE 4.49Å; T76-M128 HydrophobicContact CG2-CG 4.02Å; T76-M128 HydrophobicContact CG2-SD 3.37Å; T76-M128 WeakPolarHBondContact CG2-SD 3.42Å; K78-M128 HydrophobicContact CB-CE 4.15Å; K78-M128 HydrophobicContact CB-SD 4.24Å; I116-M128 HydrophobicContact CD1-CB 4.02Å; I116-M128 HydrophobicContact CD1-CE 4.14Å; I116-M128 HydrophobicContact CG1-CB 4.34Å; I116-M128 HydrophobicContact CG2-CB 3.85Å; M128-L236 HydrophobicContact CG-CD2 4.14Å; M128-L237 HydrophobicContact CE-CD2 3.61Å; M128-L237 HydrophobicContact CG-CD1 4.47Å; M128-L237 HydrophobicContact CG-CD2 4.35Å; M128-L237 HydrophobicContact CG-CG 4.42Å |
| 129 | I | 96.8 | Very high | 95.5 | Very high | 5 Ų | 5 | 65.2 Ų | 65.2 | 3% | 0.026 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 124.9 | -169.3 | -63.2 | 176.9 | 0 | 0 | 0 | 110.5 | R77 F79 Y113 L127 T147 L150 | R77-I129 PolarHBondContact N-O 3.1Å; R77-I129 PolarHBondContact O-N 3.47Å; F79-I129 HydrophobicContact CD2-CB 4.08Å; F79-I129 HydrophobicContact CD2-CD1 3.93Å; F79-I129 HydrophobicContact CD2-CG1 4.24Å; F79-I129 HydrophobicContact CE2-CB 3.91Å; F79-I129 HydrophobicContact CE2-CD1 4.25Å; F79-I129 HydrophobicContact CE2-CG1 4.5Å; F79-I129 HydrophobicContact CE2-CG2 4.38Å; Y113-I129 HydrophobicContact CD1-CD1 3.64Å; Y113-I129 HydrophobicContact CD1-CG1 3.78Å; Y113-I129 HydrophobicContact CE1-CD1 3.61Å; Y113-I129 HydrophobicContact CE1-CG1 3.85Å; Y113-I129 HydrophobicContact CE1-CG2 4.07Å; Y113-I129 HydrophobicContact CG-CD1 4.33Å; L127-I129 HydrophobicContact CB-CD1 3.84Å; L127-I129 HydrophobicContact CB-CG1 4.02Å; L127-I129 HydrophobicContact CD1-CD1 4.09Å; I129-T147 HydrophobicContact CG2-CG2 3.72Å; I129-L150 HydrophobicContact CD1-CD1 3.53Å |
| 130 | K | 93.9 | Very high | 95.3 | Very high | 35 Ų | 35 | 69 Ų | 69 | 15% | 0.152 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 119.4 | 164.5 | -170.2 | 169.7 | -164.6 | 161.9 | 0 | 109.3 | D75 Y132 T147 D234 | D75-K130 CarbonylContact O-C 3.6Å; D75-K130 WeakPolarHBondContact OD2-CE 3.26Å; D75-K130 IonicContact OD2-NZ 3.88Å; D75-K130 PolarHBondContact OD2-NZ 3.39Å; K130-Y132 HydrophobicContact CB-CE2 4.48Å; K130-Y132 HydrophobicContact CD-CE1 4.33Å; K130-T147 WeakPolarHBondContact O-CG2 3.45Å; K130-D234 IonicContact NZ-OD1 3.69Å; K130-D234 PolarHBondContact NZ-OD1 3.46Å; K130-D234 IonicContact NZ-OD2 3.79Å; K130-D234 PolarHBondContact NZ-OD2 2.81Å; K130-D234 VanDerWaalsContact NZ-OD2 3.1Å |
| 131 | V | 95.8 | Very high | 95.3 | Very high | 1 Ų | 1 | 67 Ų | 67 | 1% | 0.006 | 33% | 0.328 | C | S | . | . | trans | -88.7 | 108.3 | 177.5 | -177.7 | 0 | 0 | 0 | 0 | 109.5 | D75 R77 F133 E151 | D75-V131 WeakPolarHBondContact O-CA 3.43Å; D75-V131 WeakPolarHBondContact O-CB 3.46Å; D75-V131 PolarHBondContact O-N 3.14Å; R77-V131 HydrophobicContact CB-CG2 4.49Å; R77-V131 HydrophobicContact CG-CG2 4.26Å; V131-F133 HydrophobicContact CB-CD2 4.45Å; V131-F133 HydrophobicContact CB-CE2 3.74Å; V131-F133 HydrophobicContact CB-CZ 3.83Å; V131-F133 HydrophobicContact CG1-CD1 4.25Å; V131-F133 HydrophobicContact CG1-CD2 4.17Å; V131-F133 HydrophobicContact CG1-CE1 3.75Å; V131-F133 HydrophobicContact CG1-CE2 3.63Å; V131-F133 HydrophobicContact CG1-CG 4.41Å; V131-F133 HydrophobicContact CG1-CZ 3.35Å; V131-F133 VanDerWaalsContact O-CD2 3.28Å; V131-F133 WeakPolarHBondContact O-CD2 3.49Å; V131-F133 PolarHBondContact O-N 2.7Å; V131-F133 VanDerWaalsContact O-N 3.1Å; V131-E151 HydrophobicContact CG1-CB 3.93Å; V131-E151 HydrophobicContact CG1-CG 4.29Å; V131-E151 HydrophobicContact CG2-CB 4.4Å | ||
| 132 | Y | 94.5 | Very high | 95.2 | Very high | 111 Ų | 111 | 70 Ų | 70 | 44% | 0.435 | 34% | 0.343 | S | S | . | . | trans | -78.3 | 95 | 174 | -62.5 | -84.7 | 0 | 0 | 0 | 109.7 | K130 G143 G144 T147 | K130-Y132 HydrophobicContact CB-CE2 4.48Å; K130-Y132 HydrophobicContact CD-CE1 4.33Å; Y132-G143 CarbonylContact O-C 3.55Å; Y132-G143 VanDerWaalsContact O-CA 3.31Å; Y132-G143 WeakPolarHBondContact O-CA 3.24Å; Y132-G144 PolarHBondContact O-N 2.99Å; Y132-T147 HydrophobicContact CD2-CG2 4.24Å; Y132-T147 PolarHBondContact N-OG1 2.97Å | ||
| 133 | F | 96.5 | Very high | 95 | Very high | 61 Ų | 61 | 66.3 Ų | 66.3 | 27% | 0.268 | 33% | 0.332 | S | S | . | . | trans | -68.1 | 146.1 | 177.1 | -71.6 | -75.4 | 0 | 0 | 0 | 112.5 | D75 R77 V131 V136 E151 | D75-F133 HydrophobicContact CB-CE2 4.41Å; R77-F133 VanDerWaalsContact CZ-CZ 3.46Å; V131-F133 HydrophobicContact CB-CD2 4.45Å; V131-F133 HydrophobicContact CB-CE2 3.74Å; V131-F133 HydrophobicContact CB-CZ 3.83Å; V131-F133 HydrophobicContact CG1-CD1 4.25Å; V131-F133 HydrophobicContact CG1-CD2 4.17Å; V131-F133 HydrophobicContact CG1-CE1 3.75Å; V131-F133 HydrophobicContact CG1-CE2 3.63Å; V131-F133 HydrophobicContact CG1-CG 4.41Å; V131-F133 HydrophobicContact CG1-CZ 3.35Å; V131-F133 VanDerWaalsContact O-CD2 3.28Å; V131-F133 WeakPolarHBondContact O-CD2 3.49Å; V131-F133 PolarHBondContact O-N 2.7Å; V131-F133 VanDerWaalsContact O-N 3.1Å; F133-V136 HydrophobicContact CB-CG2 3.73Å; F133-E151 HydrophobicContact CE1-CG 3.98Å; F133-E151 HydrophobicContact CZ-CG 4.14Å | ||
| 134 | R | 96 | Very high | 94.9 | Very high | 149 Ų | 149 | 66.8 Ų | 66.8 | 56% | 0.562 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | 151.7 | 168.6 | 56 | 170.5 | 34.5 | 150.7 | -4.5 | 112 | V136 P141 | R134-V136 PolarHBondContact O-N 2.63Å; R134-V136 VanDerWaalsContact O-N 3.08Å; R134-P141 CarbonylContact C-O 3.51Å; R134-P141 VanDerWaalsContact CA-O 3.23Å; R134-P141 WeakPolarHBondContact CA-O 3.3Å; R134-P141 WeakPolarHBondContact CB-O 3.45Å |
| 135 | N | 94.8 | Very high | 94.9 | Very high | 136 Ų | 136 | 71 Ų | 71 | 73% | 0.727 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.1 | 14.9 | 177.1 | -53.3 | -37 | 0 | 0 | 0 | 115.2 | P141 | N135-P141 PolarHBondContact N-O 3.29Š|
| 136 | V | 91.9 | Very high | 94.9 | Very high | 110 Ų | 110 | 71.1 Ų | 71.1 | 67% | 0.667 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.8 | -50.6 | 175.1 | 175.2 | 0 | 0 | 0 | 0 | 111.3 | F133 R134 | F133-V136 HydrophobicContact CB-CG2 3.73Å; R134-V136 PolarHBondContact O-N 2.63Å; R134-V136 VanDerWaalsContact O-N 3.08Å |
| 137 | H | 87.7 | Confident | 94.8 | Very high | 86 Ų | 86 | 71.3 Ų | 71.3 | 40% | 0.398 | 36% | 0.357 | S | S | . | . | B | Isolated β-bridge | trans | -96 | 120.3 | -177.6 | -167.7 | -72.4 | 0 | 0 | 0 | 110.9 | K139 F140 | H137-K139 VanDerWaalsContact C-N 3.28Å; H137-K139 PolarHBondContact ND1-N 2.71Å; H137-K139 VanDerWaalsContact ND1-N 3.16Å; H137-K139 PolarHBondContact O-N 3.42Å; H137-K139 VanDerWaalsContact O-N 3.15Å; H137-F140 HydrophobicContact CB-CB 4.34Å; H137-F140 HydrophobicContact CB-CD2 4.37Å; H137-F140 AromaticContact CE1-CD2 3.76Å; H137-F140 AromaticContact CE1-CE2 3.93Å; H137-F140 AromaticContact CG-CD2 3.81Å; H137-F140 AromaticContact ND1-CD2 3.36Å; H137-F140 WeakPolarHBondContact ND1-CD2 3.46Å; H137-F140 AromaticContact ND1-CE2 4Å; H137-F140 CarbonylContact O-C 3.42Å; H137-F140 PolarHBondContact O-N 3.22Å |
| 138 | P | 90.7 | Very high | 94.8 | Very high | 125 Ų | 125 | 73.5 Ų | 73.5 | 81% | 0.812 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | -36 | -174.8 | -27.3 | 34.3 | 0 | 0 | 0 | 114.5 | F140 | P138-F140 VanDerWaalsContact C-N 3.31Å; P138-F140 PolarHBondContact O-N 3.18Å |
| 139 | K | 90.4 | Very high | 94.8 | Very high | 172 Ų | 172 | 76.1 Ų | 76.1 | 75% | 0.748 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.2 | -12.7 | 177.1 | -54.7 | -177 | 178.9 | 174.9 | 0 | 114.3 | H137 | H137-K139 VanDerWaalsContact C-N 3.28Å; H137-K139 PolarHBondContact ND1-N 2.71Å; H137-K139 VanDerWaalsContact ND1-N 3.16Å; H137-K139 PolarHBondContact O-N 3.42Å; H137-K139 VanDerWaalsContact O-N 3.15Å |
| 140 | F | 91.6 | Very high | 94.9 | Very high | 127 Ų | 127 | 75.9 Ų | 75.9 | 56% | 0.557 | 38% | 0.376 | S | S | * | . | B | Isolated β-bridge | trans | -136.7 | 65.6 | -175.4 | -55.2 | -67.2 | 0 | 0 | 0 | 110.1 | H137 P138 D142 G143 | H137-F140 HydrophobicContact CB-CB 4.34Å; H137-F140 HydrophobicContact CB-CD2 4.37Å; H137-F140 AromaticContact CE1-CD2 3.76Å; H137-F140 AromaticContact CE1-CE2 3.93Å; H137-F140 AromaticContact CG-CD2 3.81Å; H137-F140 AromaticContact ND1-CD2 3.36Å; H137-F140 WeakPolarHBondContact ND1-CD2 3.46Å; H137-F140 AromaticContact ND1-CE2 4Å; H137-F140 CarbonylContact O-C 3.42Å; H137-F140 PolarHBondContact O-N 3.22Å; P138-F140 VanDerWaalsContact C-N 3.31Å; P138-F140 PolarHBondContact O-N 3.18Å; F140-D142 PolarHBondContact O-N 2.88Å; F140-G143 PolarHBondContact O-N 2.94Å |
| 141 | P | 94.3 | Very high | 95.1 | Very high | 70 Ų | 70 | 76.2 Ų | 76.2 | 46% | 0.455 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -33 | -174.3 | 24.6 | -34.7 | 0 | 0 | 0 | 112.6 | R134 N135 G143 | R134-P141 CarbonylContact C-O 3.51Å; R134-P141 VanDerWaalsContact CA-O 3.23Å; R134-P141 WeakPolarHBondContact CA-O 3.3Å; R134-P141 WeakPolarHBondContact CB-O 3.45Å; N135-P141 PolarHBondContact N-O 3.29Å; P141-G143 PolarHBondContact O-N 3.24Å |
| 142 | D | 95.1 | Very high | 95.2 | Very high | 117 Ų | 117 | 79 Ų | 79 | 63% | 0.626 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.4 | -9.2 | 177 | -70 | -33.2 | 0 | 0 | 0 | 114 | F140 Q148 | F140-D142 PolarHBondContact O-N 2.88Å; D142-Q148 PolarHBondContact O-NE2 3.28Å |
| 143 | G | 95.6 | Very high | 95.4 | Very high | 17 Ų | 17 | 74 Ų | 74 | 18% | 0.175 | 39% | 0.387 | C | S | . | . | trans | 67.2 | -164.9 | -173.8 | 0 | 0 | 0 | 0 | 0 | 114 | Y132 F140 P141 | Y132-G143 CarbonylContact O-C 3.55Å; Y132-G143 VanDerWaalsContact O-CA 3.31Å; Y132-G143 WeakPolarHBondContact O-CA 3.24Å; F140-G143 PolarHBondContact O-N 2.94Å; P141-G143 PolarHBondContact O-N 3.24Å | ||
| 144 | G | 96.3 | Very high | 95.5 | Very high | 16 Ų | 16 | 78.1 Ų | 78.1 | 17% | 0.165 | 40% | 0.404 | C | S | . | . | trans | -84.1 | 120.2 | -180 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y132 T147 Q148 | Y132-G144 PolarHBondContact O-N 2.99Å; G144-T147 WeakPolarHBondContact CA-OG1 3.4Å; G144-T147 PolarHBondContact O-N 3.46Å; G144-T147 PolarHBondContact O-OG1 3.48Å; G144-Q148 WeakPolarHBondContact O-CB 3.48Å; G144-Q148 WeakPolarHBondContact O-CG 3.35Å; G144-Q148 PolarHBondContact O-N 2.91Å; G144-Q148 PolarHBondContact O-NE2 2.69Å | ||
| 145 | K | 97.3 | Very high | 95.6 | Very high | 126 Ų | 126 | 76 Ų | 76 | 55% | 0.548 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -56.3 | -57 | -179.1 | -64.9 | -177.3 | -179.8 | 179.8 | 0 | 112.3 | V109 Y149 | V109-K145 HydrophobicContact CG1-CB 4.35Å; V109-K145 HydrophobicContact CG2-CD 4.47Å; K145-Y149 WeakPolarHBondContact O-CB 3.37Å; K145-Y149 PolarHBondContact O-N 3.09Å |
| 146 | M | 98.3 | Very high | 95.8 | Very high | 3 Ų | 3 | 72 Ų | 72 | 2% | 0.015 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -69.2 | -40.1 | -178.4 | -176.9 | 61.4 | 79.8 | 0 | 0 | 112 | L100 A102 V109 R111 Y113 Q148 Y149 L150 I159 | L100-M146 HydrophobicContact CB-CE 4.15Å; L100-M146 HydrophobicContact CB-SD 4.4Å; L100-M146 WeakPolarHBondContact O-CE 3.42Å; A102-M146 HydrophobicContact CB-CE 4.31Å; A102-M146 HydrophobicContact CB-SD 4.44Å; V109-M146 HydrophobicContact CB-CE 4.4Å; V109-M146 HydrophobicContact CG1-CB 4.33Å; V109-M146 HydrophobicContact CG1-CE 4.15Å; V109-M146 WeakPolarHBondContact O-CE 3.4Å; R111-M146 HydrophobicContact CB-CB 4.25Å; R111-M146 HydrophobicContact CB-CG 4.22Å; R111-M146 HydrophobicContact CG-CB 3.72Å; R111-M146 HydrophobicContact CG-CG 4.22Å; Y113-M146 HydrophobicContact CE2-CG 3.81Å; Y113-M146 WeakPolarHBondContact OH-CB 3.45Å; Y113-M146 WeakPolarHBondContact OH-CG 3.25Å; M146-Q148 PolarHBondContact O-N 2.84Å; M146-Y149 WeakPolarHBondContact O-CB 3.4Å; M146-Y149 PolarHBondContact O-N 3.11Å; M146-Y149 HydrophobicContact SD-CD1 4.23Å; M146-L150 HydrophobicContact CG-CD1 4.12Å; M146-L150 HydrophobicContact CG-CG 4.49Å; M146-L150 WeakPolarHBondContact O-CG 2.84Å; M146-L150 PolarHBondContact O-N 3.28Å; M146-L150 HydrophobicContact SD-CG 4.48Å; M146-I159 HydrophobicContact CE-CD1 4.48Å; M146-I159 HydrophobicContact SD-CD1 3.81Å |
| 147 | T | 97.9 | Very high | 96.1 | Very high | 9 Ų | 9 | 70.3 Ų | 70.3 | 6% | 0.055 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -70.8 | -34.9 | -175.7 | 60.1 | 0 | 0 | 0 | 0 | 112.6 | I129 K130 Y132 G144 L150 E151 | I129-T147 HydrophobicContact CG2-CG2 3.72Å; K130-T147 WeakPolarHBondContact O-CG2 3.45Å; Y132-T147 HydrophobicContact CD2-CG2 4.24Å; Y132-T147 PolarHBondContact N-OG1 2.97Å; G144-T147 WeakPolarHBondContact CA-OG1 3.4Å; G144-T147 PolarHBondContact O-N 3.46Å; G144-T147 PolarHBondContact O-OG1 3.48Å; T147-L150 PolarHBondContact O-N 3.22Å; T147-E151 WeakPolarHBondContact O-CB 3.38Å; T147-E151 PolarHBondContact O-N 3.31Å |
| 148 | Q | 98.1 | Very high | 96.7 | Very high | 47 Ų | 47 | 69.8 Ų | 69.8 | 22% | 0.22 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -73 | -32.6 | 172.4 | -75 | 177.4 | 99.5 | 0 | 0 | 112.5 | D142 G144 M146 E151 G152 | D142-Q148 PolarHBondContact O-NE2 3.28Å; G144-Q148 WeakPolarHBondContact O-CB 3.48Å; G144-Q148 WeakPolarHBondContact O-CG 3.35Å; G144-Q148 PolarHBondContact O-N 2.91Å; G144-Q148 PolarHBondContact O-NE2 2.69Å; M146-Q148 PolarHBondContact O-N 2.84Å; Q148-E151 PolarHBondContact O-N 2.9Å; Q148-G152 PolarHBondContact O-N 3.29Å |
| 149 | Y | 98.4 | Very high | 97 | Very high | 76 Ų | 76 | 64 Ų | 64 | 30% | 0.298 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -60.2 | -47.6 | 169.9 | 175.7 | -95.7 | 0 | 0 | 0 | 111 | A102 I104 K145 M146 E151 G152 M153 I159 | A102-Y149 HydrophobicContact CB-CD1 3.87Å; A102-Y149 HydrophobicContact CB-CE1 3.47Å; A102-Y149 VanDerWaalsContact CB-CE1 3.47Å; A102-Y149 HydrophobicContact CB-CE2 4.33Å; A102-Y149 HydrophobicContact CB-CG 4.45Å; I104-Y149 HydrophobicContact CD1-CD2 4.27Å; I104-Y149 HydrophobicContact CD1-CG 3.89Å; I104-Y149 HydrophobicContact CG1-CD2 3.89Å; I104-Y149 HydrophobicContact CG1-CG 4.02Å; K145-Y149 WeakPolarHBondContact O-CB 3.37Å; K145-Y149 PolarHBondContact O-N 3.09Å; M146-Y149 WeakPolarHBondContact O-CB 3.4Å; M146-Y149 PolarHBondContact O-N 3.11Å; M146-Y149 HydrophobicContact SD-CD1 4.23Å; Y149-E151 PolarHBondContact O-N 2.93Å; Y149-G152 PolarHBondContact O-N 2.81Å; Y149-M153 PolarHBondContact O-N 3.35Å; Y149-M153 VanDerWaalsContact O-N 3.07Å; Y149-I159 HydrophobicContact CD1-CD1 4.24Å; Y149-I159 HydrophobicContact CE1-CD1 3.97Å; Y149-I159 HydrophobicContact CE1-CG1 4.47Å |
| 150 | L | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -62.3 | -40.2 | 175 | -70.4 | 169.3 | 0 | 0 | 0 | 112.5 | F79 F81 L100 I129 M146 T147 G152 M153 I159 | F79-L150 HydrophobicContact CE1-CB 4.02Å; F79-L150 VanDerWaalsContact CE1-O 3.27Å; F79-L150 WeakPolarHBondContact CE1-O 3.45Å; F79-L150 HydrophobicContact CE2-CB 4.33Å; F79-L150 HydrophobicContact CZ-CB 3.83Å; F81-L150 HydrophobicContact CZ-CD2 4.06Å; L100-L150 HydrophobicContact CD1-CD1 3.97Å; L100-L150 HydrophobicContact CD1-CD2 4.27Å; I129-L150 HydrophobicContact CD1-CD1 3.53Å; M146-L150 HydrophobicContact CG-CD1 4.12Å; M146-L150 HydrophobicContact CG-CG 4.49Å; M146-L150 WeakPolarHBondContact O-CG 2.84Å; M146-L150 PolarHBondContact O-N 3.28Å; M146-L150 HydrophobicContact SD-CG 4.48Å; T147-L150 PolarHBondContact O-N 3.22Å; L150-G152 VanDerWaalsContact C-N 3.3Å; L150-G152 PolarHBondContact O-N 2.82Å; L150-M153 HydrophobicContact CD2-SD 4.1Å; L150-M153 VanDerWaalsContact O-CB 3.24Å; L150-M153 WeakPolarHBondContact O-CB 3.49Å; L150-M153 PolarHBondContact O-N 2.82Å; L150-I159 HydrophobicContact CD2-CD1 3.82Å |
| 151 | E | 98.2 | Very high | 97.8 | Very high | 42 Ų | 42 | 52.5 Ų | 52.5 | 20% | 0.196 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -60.7 | -39.3 | 176.7 | 178.3 | 65 | 171.8 | 0 | 0 | 112.6 | K69 R77 V131 F133 T147 Q148 Y149 M153 | K69-E151 PolarHBondContact NZ-O 2.91Å; R77-E151 WeakPolarHBondContact CG-OE2 3.44Å; R77-E151 IonicContact CZ-OE1 3.14Å; R77-E151 IonicContact CZ-OE2 3.6Å; R77-E151 VanDerWaalsContact NE-CD 3.28Å; R77-E151 IonicContact NE-OE1 3.73Å; R77-E151 PolarHBondContact NE-OE1 3.06Å; R77-E151 IonicContact NE-OE2 3.53Å; R77-E151 PolarHBondContact NE-OE2 3.41Å; R77-E151 IonicContact NH2-OE1 3.99Å; R77-E151 PolarHBondContact NH2-OE1 3.35Å; R77-E151 IonicContact NH2-OE2 2.79Å; V131-E151 HydrophobicContact CG1-CB 3.93Å; V131-E151 HydrophobicContact CG1-CG 4.29Å; V131-E151 HydrophobicContact CG2-CB 4.4Å; F133-E151 HydrophobicContact CE1-CG 3.98Å; F133-E151 HydrophobicContact CZ-CG 4.14Å; T147-E151 WeakPolarHBondContact O-CB 3.38Å; T147-E151 PolarHBondContact O-N 3.31Å; Q148-E151 PolarHBondContact O-N 2.9Å; Y149-E151 PolarHBondContact O-N 2.93Å; E151-M153 VanDerWaalsContact C-N 3.34Å |
| 152 | G | 97.8 | Very high | 98 | Very high | 58 Ų | 58 | 52.3 Ų | 52.3 | 60% | 0.598 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -80.2 | -11.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | Q148 Y149 L150 | Q148-G152 PolarHBondContact O-N 3.29Å; Y149-G152 PolarHBondContact O-N 2.81Å; L150-G152 VanDerWaalsContact C-N 3.3Å; L150-G152 PolarHBondContact O-N 2.82Å |
| 153 | M | 98.4 | Very high | 98.1 | Very high | 6 Ų | 6 | 46.7 Ų | 46.7 | 3% | 0.03 | 26% | 0.257 | C | S | . | . | P | Polyproline II helix | trans | -65.3 | 134.5 | -176.9 | -166.8 | 175.6 | 179.7 | 0 | 0 | 111.3 | L66 F81 Y149 L150 E151 E157 T158 I159 | L66-M153 HydrophobicContact CB-CE 3.89Å; L66-M153 HydrophobicContact CB-CG 4.5Å; L66-M153 HydrophobicContact CB-SD 4.15Å; L66-M153 HydrophobicContact CD2-CB 4.06Å; L66-M153 HydrophobicContact CD2-CG 3.92Å; L66-M153 HydrophobicContact CD2-SD 4.21Å; F81-M153 HydrophobicContact CE1-CE 4.08Å; F81-M153 HydrophobicContact CE1-SD 4.11Å; Y149-M153 PolarHBondContact O-N 3.35Å; Y149-M153 VanDerWaalsContact O-N 3.07Å; L150-M153 HydrophobicContact CD2-SD 4.1Å; L150-M153 VanDerWaalsContact O-CB 3.24Å; L150-M153 WeakPolarHBondContact O-CB 3.49Å; L150-M153 PolarHBondContact O-N 2.82Å; E151-M153 VanDerWaalsContact C-N 3.34Å; M153-E157 WeakPolarHBondContact CA-OE2 3.34Å; M153-E157 HydrophobicContact CE-CB 3.73Å; M153-E157 WeakPolarHBondContact CE-O 3.39Å; M153-E157 HydrophobicContact CG-CB 3.92Å; M153-E157 WeakPolarHBondContact CG-OE2 3.35Å; M153-T158 VanDerWaalsContact CE-C 3.43Å; M153-I159 HydrophobicContact CE-CB 4.06Å; M153-I159 HydrophobicContact CE-CG2 4.28Å; M153-I159 HydrophobicContact SD-CB 4.46Å |
| 154 | K | 98.4 | Very high | 98.2 | Very high | 148 Ų | 148 | 47.3 Ų | 47.3 | 64% | 0.643 | 26% | 0.258 | S | S | * | . | P | Polyproline II helix | trans | -90.6 | 153.1 | 178.6 | -61.4 | 177.7 | -177.3 | 174.6 | 0 | 111.1 | G156 E157 | K154-G156 PolarHBondContact O-N 3.22Å; K154-E157 HydrophobicContact CB-CG 4.12Å; K154-E157 PolarHBondContact N-OE2 2.99Å; K154-E157 WeakPolarHBondContact O-CB 3.31Å; K154-E157 PolarHBondContact O-N 2.92Å; K154-E157 VanDerWaalsContact O-N 3.14Å |
| 155 | I | 98.7 | Very high | 98.3 | Very high | 105 Ų | 105 | 47.5 Ų | 47.5 | 54% | 0.538 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | 132.5 | 171.6 | -56.7 | -53.8 | 0 | 0 | 0 | 109.2 | L66 K69 | L66-I155 HydrophobicContact CD2-CD1 4.1Å; L66-I155 HydrophobicContact CG-CD1 3.95Å; L66-I155 CarbonylContact O-C 3.53Å; L66-I155 WeakPolarHBondContact O-CA 3.38Å; K69-I155 HydrophobicContact CB-CD1 4.49Å |
| 156 | G | 98.6 | Very high | 98.3 | Very high | 51 Ų | 51 | 42.7 Ų | 42.7 | 53% | 0.526 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 94.1 | -20 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | L66 K154 | L66-G156 PolarHBondContact O-N 3.31Å; K154-G156 PolarHBondContact O-N 3.22Å |
| 157 | E | 98.6 | Very high | 98.2 | Very high | 76 Ų | 76 | 45.8 Ų | 45.8 | 36% | 0.355 | 26% | 0.259 | S | S | . | . | trans | -66.5 | 153.7 | 172.5 | -68.3 | 176.7 | 173.7 | 0 | 0 | 110.3 | A65 L66 M153 K154 | A65-E157 CarbonylContact C-O 3.2Å; A65-E157 VanDerWaalsContact CA-O 3.29Å; A65-E157 WeakPolarHBondContact CA-O 3.44Å; L66-E157 PolarHBondContact N-O 2.88Å; M153-E157 WeakPolarHBondContact CA-OE2 3.34Å; M153-E157 HydrophobicContact CE-CB 3.73Å; M153-E157 WeakPolarHBondContact CE-O 3.39Å; M153-E157 HydrophobicContact CG-CB 3.92Å; M153-E157 WeakPolarHBondContact CG-OE2 3.35Å; K154-E157 HydrophobicContact CB-CG 4.12Å; K154-E157 PolarHBondContact N-OE2 2.99Å; K154-E157 WeakPolarHBondContact O-CB 3.31Å; K154-E157 PolarHBondContact O-N 2.92Å; K154-E157 VanDerWaalsContact O-N 3.14Å | ||
| 158 | T | 98.6 | Very high | 98.2 | Very high | 74 Ų | 74 | 45.8 Ų | 45.8 | 45% | 0.454 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 150.2 | 179.4 | 64.7 | 0 | 0 | 0 | 0 | 112 | L64 A65 M153 | L64-T158 VanDerWaalsContact O-CA 3.29Å; L64-T158 WeakPolarHBondContact O-CA 3.49Å; A65-T158 HydrophobicContact CB-CG2 4.05Å; M153-T158 VanDerWaalsContact CE-C 3.43Å |
| 159 | I | 98.8 | Very high | 98.3 | Very high | 3 Ų | 3 | 45.5 Ų | 45.5 | 2% | 0.015 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 148.8 | 168.5 | -168.5 | 170.1 | 0 | 0 | 0 | 108.9 | P63 L64 F81 L100 S101 A102 M146 Y149 L150 M153 F161 | P63-I159 WeakPolarHBondContact CA-O 3.39Å; L64-I159 PolarHBondContact N-O 3.2Å; L64-I159 PolarHBondContact O-N 2.87Å; L64-I159 VanDerWaalsContact O-N 3.08Å; F81-I159 HydrophobicContact CD1-CG2 4.01Å; F81-I159 HydrophobicContact CE1-CG2 3.39Å; F81-I159 HydrophobicContact CZ-CG2 3.91Å; L100-I159 HydrophobicContact CB-CD1 3.91Å; L100-I159 HydrophobicContact CB-CG1 4.47Å; L100-I159 HydrophobicContact CD1-CD1 4.17Å; L100-I159 HydrophobicContact CD2-CG2 4.09Å; L100-I159 HydrophobicContact CG-CD1 4.43Å; S101-I159 WeakPolarHBondContact O-CG1 3.49Å; A102-I159 HydrophobicContact CB-CD1 4.29Å; A102-I159 HydrophobicContact CB-CG1 4.39Å; M146-I159 HydrophobicContact CE-CD1 4.48Å; M146-I159 HydrophobicContact SD-CD1 3.81Å; Y149-I159 HydrophobicContact CD1-CD1 4.24Å; Y149-I159 HydrophobicContact CE1-CD1 3.97Å; Y149-I159 HydrophobicContact CE1-CG1 4.47Å; L150-I159 HydrophobicContact CD2-CD1 3.82Å; M153-I159 HydrophobicContact CE-CB 4.06Å; M153-I159 HydrophobicContact CE-CG2 4.28Å; M153-I159 HydrophobicContact SD-CB 4.46Å; I159-F161 HydrophobicContact CG2-CD2 4.14Å; I159-F161 HydrophobicContact CG2-CE2 3.59Å; I159-F161 WeakPolarHBondContact O-CD2 3.5Å; I159-F161 PolarHBondContact O-N 3.14Å |
| 160 | N | 98.7 | Very high | 98.3 | Very high | 59 Ų | 59 | 42.4 Ų | 42.4 | 32% | 0.316 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 118.7 | -176.1 | -73.3 | -32 | 0 | 0 | 0 | 111.2 | S61 L100 S101 | S61-N160 VanDerWaalsContact OG-CB 3.28Å; S61-N160 WeakPolarHBondContact OG-CB 3.42Å; S61-N160 VanDerWaalsContact OG-CG 3.22Å; S61-N160 PolarHBondContact OG-OD1 2.96Å; L100-N160 CarbonylContact C-O 3.55Å; L100-N160 WeakPolarHBondContact CA-O 3.47Å; S101-N160 PolarHBondContact N-O 2.82Å; S101-N160 PolarHBondContact O-N 3.5Å; S101-N160 WeakPolarHBondContact OG-CB 3.4Å |
| 161 | F | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 142 | 170 | -75.7 | -116.6 | 0 | 0 | 0 | 110.1 | S61 Y62 L64 F81 I98 H99 L100 V125 L127 I159 | S61-F161 CarbonylContact C-O 3.6Å; S61-F161 WeakPolarHBondContact CA-O 3.38Å; Y62-F161 PolarHBondContact N-O 3.24Å; Y62-F161 PolarHBondContact O-N 2.83Å; L64-F161 HydrophobicContact CB-CD2 3.74Å; L64-F161 HydrophobicContact CB-CE2 3.72Å; L64-F161 HydrophobicContact CD1-CB 4.23Å; L64-F161 HydrophobicContact CD1-CD1 3.89Å; L64-F161 HydrophobicContact CD1-CD2 3.65Å; L64-F161 HydrophobicContact CD1-CE1 4.13Å; L64-F161 HydrophobicContact CD1-CE2 3.91Å; L64-F161 HydrophobicContact CD1-CG 3.66Å; L64-F161 HydrophobicContact CD1-CZ 4.14Å; L64-F161 HydrophobicContact CG-CB 4.43Å; L64-F161 HydrophobicContact CG-CD2 3.69Å; L64-F161 HydrophobicContact CG-CE2 4.11Å; L64-F161 HydrophobicContact CG-CG 4.07Å; F81-F161 HydrophobicContact CB-CE2 4.19Å; F81-F161 HydrophobicContact CB-CZ 3.93Å; F81-F161 AromaticContact CD1-CE2 3.87Å; F81-F161 HydrophobicContact CD1-CE2 3.87Å; F81-F161 HydrophobicContact CD1-CZ 4.1Å; F81-F161 HydrophobicContact CD2-CE2 4.2Å; F81-F161 AromaticContact CD2-CZ 3.58Å; F81-F161 HydrophobicContact CD2-CZ 3.58Å; F81-F161 HydrophobicContact CE1-CE2 4.3Å; F81-F161 HydrophobicContact CE2-CZ 4.07Å; F81-F161 AromaticContact CG-CE2 3.82Å; F81-F161 HydrophobicContact CG-CE2 3.82Å; F81-F161 AromaticContact CG-CZ 3.59Å; F81-F161 HydrophobicContact CG-CZ 3.59Å; I98-F161 HydrophobicContact CB-CD1 4.36Å; I98-F161 HydrophobicContact CD1-CD1 3.62Å; I98-F161 HydrophobicContact CD1-CE1 3.73Å; I98-F161 HydrophobicContact CD1-CG 4.47Å; I98-F161 HydrophobicContact CG1-CD1 3.87Å; I98-F161 HydrophobicContact CG1-CE1 4.1Å; H99-F161 CarbonylContact O-C 3.51Å; H99-F161 WeakPolarHBondContact O-CA 3.36Å; L100-F161 HydrophobicContact CD2-CD1 3.91Å; L100-F161 HydrophobicContact CD2-CD2 3.65Å; L100-F161 HydrophobicContact CD2-CE1 3.77Å; L100-F161 HydrophobicContact CD2-CE2 3.49Å; L100-F161 VanDerWaalsContact CD2-CE2 3.49Å; L100-F161 HydrophobicContact CD2-CG 3.84Å; L100-F161 HydrophobicContact CD2-CZ 3.55Å; V125-F161 HydrophobicContact CG1-CE1 3.8Å; V125-F161 HydrophobicContact CG1-CZ 4.06Å; L127-F161 HydrophobicContact CD1-CE1 4.34Å; L127-F161 HydrophobicContact CD1-CZ 4.23Å; I159-F161 HydrophobicContact CG2-CD2 4.14Å; I159-F161 HydrophobicContact CG2-CE2 3.59Å; I159-F161 WeakPolarHBondContact O-CD2 3.5Å; I159-F161 PolarHBondContact O-N 3.14Å |
| 162 | R | 98.6 | Very high | 98.2 | Very high | 65 Ų | 65 | 47.9 Ų | 47.9 | 25% | 0.245 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 141.2 | 169.8 | -178 | -178.4 | 67.6 | 75.5 | 6.5 | 110.2 | P58 E59 A60 I98 H99 | P58-R162 WeakPolarHBondContact O-CG 3.05Å; P58-R162 PolarHBondContact O-NH1 3.36Å; E59-R162 IonicContact OE2-NH1 3.63Å; A60-R162 WeakPolarHBondContact O-CG 3.41Å; I98-R162 CarbonylContact C-O 3.57Å; I98-R162 WeakPolarHBondContact CA-O 3.41Å; H99-R162 HydrophobicContact CB-CB 4.44Å; H99-R162 VanDerWaalsContact CG-NH2 3.32Å; H99-R162 PolarHBondContact N-O 3.08Å; H99-R162 PolarHBondContact ND1-NH2 3.34Å; H99-R162 PolarHBondContact O-N 3.18Å |
| 163 | G | 97.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 151 | -175.3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | L55 P58 | L55-G163 WeakPolarHBondContact CB-O 3.4Å; P58-G163 VanDerWaalsContact CA-O 3.31Å; P58-G163 WeakPolarHBondContact CA-O 3.44Å |
| 164 | P | 97.7 | Very high | 98.1 | Very high | 30 Ų | 30 | 48.9 Ų | 48.9 | 20% | 0.195 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | cis | -66.1 | 152 | 7.7 | -25.1 | 38.5 | 0 | 0 | 0 | 114.8 | L55 G91 L92 P93 Q96 | L55-P164 HydrophobicContact CB-CG 4.45Å; L55-P164 HydrophobicContact CD1-CG 4.41Å; G91-P164 WeakPolarHBondContact O-CG 3.23Å; L92-P164 HydrophobicContact CD1-CB 3.8Å; L92-P164 HydrophobicContact CD1-CG 4.17Å; P93-P164 HydrophobicContact CG-CG 4.43Å; Q96-P164 HydrophobicContact CB-CB 4.27Å; Q96-P164 HydrophobicContact CG-CB 4.42Å |
| 165 | S | 97.5 | Very high | 98.1 | Very high | 20 Ų | 20 | 43.2 Ų | 43.2 | 14% | 0.14 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 147.4 | 172.6 | 172.5 | 0 | 0 | 0 | 0 | 112 | Q96 H97 H99 | Q96-S165 CarbonylContact C-O 3.58Å; Q96-S165 WeakPolarHBondContact CA-O 3.37Å; Q96-S165 WeakPolarHBondContact CB-O 3.36Å; Q96-S165 PolarHBondContact OE1-O 2.87Å; H97-S165 PolarHBondContact CE1-O 3.1Å; H97-S165 PolarHBondContact N-O 3.3Å; H97-S165 PolarHBondContact ND1-O 3.47Å; H97-S165 PolarHBondContact NE2-OG 3.21Å; H97-S165 PolarHBondContact O-N 3.13Å; H99-S165 PolarHBondContact CE1-OG 3.4Å |
| 166 | G | 97 | Very high | 98 | Very high | 25 Ų | 25 | 38.2 Ų | 38.2 | 26% | 0.258 | 22% | 0.218 | S | C | . | . | trans | 141.1 | 166.8 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | Q96 | Q96-G166 VanDerWaalsContact NE2-CA 3.33Å; Q96-G166 PolarHBondContact NE2-O 2.83Å; Q96-G166 PolarHBondContact OE1-O 2.81Å | ||
| 167 | L | 97.7 | Very high | 98 | Very high | 68 Ų | 68 | 36.2 Ų | 36.2 | 36% | 0.356 | 20% | 0.197 | S | C | . | . | S | Bend | trans | -104.7 | -11.9 | -179.3 | -61.9 | -178.4 | 0 | 0 | 0 | 113.2 | V178 K179 K182 | L167-V178 CarbonylContact O-C 3.57Å; L167-V178 WeakPolarHBondContact O-CA 3.32Å; L167-K179 HydrophobicContact CB-CB 4.37Å; L167-K179 WeakPolarHBondContact CB-O 3.46Å; L167-K179 HydrophobicContact CD2-CB 3.98Å; L167-K179 PolarHBondContact O-N 3.15Å; L167-K182 HydrophobicContact CD2-CG 4.02Å |
| 168 | I | 98.4 | Very high | 98 | Very high | 8 Ų | 8 | 33.4 Ų | 33.4 | 4% | 0.041 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 133 | -172.6 | -58.5 | 153.3 | 0 | 0 | 0 | 108.2 | G95 Q96 F176 V178 L320 F322 | G95-I168 CarbonylContact C-O 3.53Å; Q96-I168 PolarHBondContact NE2-O 2.79Å; I168-F176 HydrophobicContact CG2-CD1 3.81Å; I168-F176 HydrophobicContact CG2-CE1 4.31Å; I168-V178 HydrophobicContact CG1-CG1 4.31Å; I168-L320 HydrophobicContact CD1-CB 3.76Å; I168-L320 HydrophobicContact CG1-CB 4.43Å; I168-L320 HydrophobicContact CG1-CD1 4.47Å; I168-L320 HydrophobicContact CG2-CD1 4.15Å; I168-F322 HydrophobicContact CB-CE1 3.84Å; I168-F322 HydrophobicContact CB-CZ 4.07Å; I168-F322 HydrophobicContact CD1-CD1 4.14Å; I168-F322 HydrophobicContact CD1-CD2 4.21Å; I168-F322 HydrophobicContact CD1-CE1 3.98Å; I168-F322 HydrophobicContact CD1-CE2 4.04Å; I168-F322 HydrophobicContact CD1-CG 4.25Å; I168-F322 HydrophobicContact CD1-CZ 3.92Å; I168-F322 HydrophobicContact CG2-CE1 3.87Å; I168-F322 HydrophobicContact CG2-CZ 3.66Å |
| 169 | I | 98.4 | Very high | 97.9 | Very high | 42 Ų | 42 | 33.8 Ų | 33.8 | 22% | 0.215 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 124.3 | 172.3 | -57.1 | 176 | 0 | 0 | 0 | 108.1 | P93 V94 Q96 K171 F176 A177 | P93-I169 HydrophobicContact CB-CD1 4.13Å; P93-I169 HydrophobicContact CB-CG1 4.25Å; P93-I169 HydrophobicContact CB-CG2 3.76Å; V94-I169 CarbonylContact O-C 3.47Å; V94-I169 WeakPolarHBondContact O-CA 3.48Å; Q96-I169 HydrophobicContact CG-CD1 4.45Å; Q96-I169 HydrophobicContact CG-CG1 3.95Å; I169-K171 HydrophobicContact CG2-CD 3.79Å; I169-F176 CarbonylContact O-C 3.53Å; I169-F176 WeakPolarHBondContact O-CA 3.4Å; I169-A177 HydrophobicContact CB-CB 4.41Å; I169-A177 PolarHBondContact N-O 3.03Å; I169-A177 PolarHBondContact O-N 3.44Å |
| 170 | Y | 98.5 | Very high | 97.7 | Very high | 11 Ų | 11 | 37 Ų | 37 | 4% | 0.043 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 127.1 | 167.3 | -172.5 | -112.8 | 0 | 0 | 0 | 109.8 | V94 G172 N173 G174 S175 F176 I194 I209 A212 I213 D219 T221 | V94-Y170 HydrophobicContact CG1-CD1 4.42Å; V94-Y170 PolarHBondContact O-N 2.84Å; Y170-G172 VanDerWaalsContact CE1-CA 3.43Å; Y170-N173 PolarHBondContact OH-N 3.06Å; Y170-G174 PolarHBondContact OH-N 3.03Å; Y170-S175 WeakPolarHBondContact CD2-O 3.3Å; Y170-F176 HydrophobicContact CD2-CD1 4.09Å; Y170-F176 HydrophobicContact CD2-CD2 4.09Å; Y170-F176 AromaticContact CD2-CE1 3.7Å; Y170-F176 HydrophobicContact CD2-CE1 3.7Å; Y170-F176 AromaticContact CD2-CE2 3.7Å; Y170-F176 HydrophobicContact CD2-CE2 3.7Å; Y170-F176 HydrophobicContact CD2-CG 4.29Å; Y170-F176 AromaticContact CD2-CZ 3.5Å; Y170-F176 HydrophobicContact CD2-CZ 3.5Å; Y170-F176 VanDerWaalsContact CD2-CZ 3.5Å; Y170-F176 HydrophobicContact CE2-CD2 4.4Å; Y170-F176 AromaticContact CE2-CE2 3.84Å; Y170-F176 HydrophobicContact CE2-CE2 3.84Å; Y170-F176 AromaticContact CE2-CZ 3.95Å; Y170-F176 HydrophobicContact CE2-CZ 3.95Å; Y170-F176 HydrophobicContact CG-CE1 4.43Å; Y170-I194 HydrophobicContact CE2-CD1 4.3Å; Y170-I209 HydrophobicContact CD2-CG2 4.5Å; Y170-I209 HydrophobicContact CG-CG2 4.32Å; Y170-A212 HydrophobicContact CD1-CB 4.35Å; Y170-I213 HydrophobicContact CD1-CG1 4.4Å; Y170-I213 HydrophobicContact CE1-CD1 4.13Å; Y170-I213 HydrophobicContact CE1-CG1 3.46Å; Y170-I213 VanDerWaalsContact CE1-CG1 3.46Å; Y170-I213 HydrophobicContact CE2-CD1 4.39Å; Y170-I213 WeakPolarHBondContact OH-CG1 3.43Å; Y170-D219 PolarHBondContact OH-OD1 2.85Å; Y170-D219 PolarHBondContact OH-OD2 3.34Å; Y170-T221 PolarHBondContact OH-OG1 3.44Å |
| 171 | K | 97.9 | Very high | 97.5 | Very high | 140 Ų | 140 | 38 Ų | 38 | 61% | 0.609 | 21% | 0.21 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -104.1 | -0.9 | -174.9 | -62.6 | -63 | -62.2 | 178.9 | 0 | 113.1 | I169 S175 A177 | I169-K171 HydrophobicContact CG2-CD 3.79Å; K171-S175 PolarHBondContact N-O 3.19Å; K171-A177 HydrophobicContact CD-CB 4.47Å; K171-A177 HydrophobicContact CG-CB 4.21Å |
| 172 | G | 97.7 | Very high | 97.2 | Very high | 16 Ų | 16 | 46.1 Ų | 46.1 | 17% | 0.165 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 90.9 | 160.8 | -171.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y170 G174 S175 | Y170-G172 VanDerWaalsContact CE1-CA 3.43Å; G172-G174 VanDerWaalsContact C-N 3.25Å; G172-G174 PolarHBondContact O-N 3.08Å; G172-S175 VanDerWaalsContact O-CB 3.24Å; G172-S175 WeakPolarHBondContact O-CB 3.25Å; G172-S175 PolarHBondContact O-N 2.75Å |
| 173 | N | 97.2 | Very high | 97 | Very high | 86 Ų | 86 | 52.7 Ų | 52.7 | 46% | 0.46 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.5 | 41.3 | 174.8 | -54 | -33.4 | 0 | 0 | 0 | 113.1 | Y170 S175 D219 | Y170-N173 PolarHBondContact OH-N 3.06Å; N173-S175 PolarHBondContact O-N 3.19Å; N173-D219 WeakPolarHBondContact CA-OD1 3.32Å; N173-D219 VanDerWaalsContact N-CG 3.33Å; N173-D219 PolarHBondContact N-OD2 3.3Å; N173-D219 WeakPolarHBondContact OD1-CA 3.48Å |
| 174 | G | 96.5 | Very high | 96.9 | Very high | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 75.9 | -0.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | Y170 G172 F176 T190 Y191 T221 | Y170-G174 PolarHBondContact OH-N 3.03Å; G172-G174 VanDerWaalsContact C-N 3.25Å; G172-G174 PolarHBondContact O-N 3.08Å; G174-F176 WeakPolarHBondContact O-CD2 3.27Å; G174-T190 WeakPolarHBondContact O-CA 3.38Å; G174-Y191 WeakPolarHBondContact CA-O 3.43Å; G174-Y191 PolarHBondContact O-N 2.83Å; G174-T221 VanDerWaalsContact CA-OG1 3.23Å; G174-T221 WeakPolarHBondContact CA-OG1 3.32Å; G174-T221 PolarHBondContact N-OG1 3.35Å |
| 175 | S | 97.5 | Very high | 96.9 | Very high | 28 Ų | 28 | 60.2 Ų | 60.2 | 20% | 0.196 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 133.5 | -174.7 | -169.6 | 0 | 0 | 0 | 0 | 112.3 | Y170 K171 G172 N173 Y189 | Y170-S175 WeakPolarHBondContact CD2-O 3.3Å; K171-S175 PolarHBondContact N-O 3.19Å; G172-S175 VanDerWaalsContact O-CB 3.24Å; G172-S175 WeakPolarHBondContact O-CB 3.25Å; G172-S175 PolarHBondContact O-N 2.75Å; N173-S175 PolarHBondContact O-N 3.19Å; S175-Y189 CarbonylContact C-O 3.55Å; S175-Y189 VanDerWaalsContact CA-O 3.28Å; S175-Y189 WeakPolarHBondContact CA-O 3.48Å |
| 176 | F | 98 | Very high | 96.9 | Very high | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 138.5 | 175.2 | -69.4 | -98.6 | 0 | 0 | 0 | 110.6 | I168 I169 Y170 G174 V178 H188 Y189 Y191 I194 I209 V291 L293 L320 | I168-F176 HydrophobicContact CG2-CD1 3.81Å; I168-F176 HydrophobicContact CG2-CE1 4.31Å; I169-F176 CarbonylContact O-C 3.53Å; I169-F176 WeakPolarHBondContact O-CA 3.4Å; Y170-F176 HydrophobicContact CD2-CD1 4.09Å; Y170-F176 HydrophobicContact CD2-CD2 4.09Å; Y170-F176 AromaticContact CD2-CE1 3.7Å; Y170-F176 HydrophobicContact CD2-CE1 3.7Å; Y170-F176 AromaticContact CD2-CE2 3.7Å; Y170-F176 HydrophobicContact CD2-CE2 3.7Å; Y170-F176 HydrophobicContact CD2-CG 4.29Å; Y170-F176 AromaticContact CD2-CZ 3.5Å; Y170-F176 HydrophobicContact CD2-CZ 3.5Å; Y170-F176 VanDerWaalsContact CD2-CZ 3.5Å; Y170-F176 HydrophobicContact CE2-CD2 4.4Å; Y170-F176 AromaticContact CE2-CE2 3.84Å; Y170-F176 HydrophobicContact CE2-CE2 3.84Å; Y170-F176 AromaticContact CE2-CZ 3.95Å; Y170-F176 HydrophobicContact CE2-CZ 3.95Å; Y170-F176 HydrophobicContact CG-CE1 4.43Å; G174-F176 WeakPolarHBondContact O-CD2 3.27Å; F176-V178 HydrophobicContact CB-CG2 3.99Å; F176-H188 WeakPolarHBondContact O-CA 3.35Å; F176-Y189 PolarHBondContact N-O 3.06Å; F176-Y189 PolarHBondContact O-N 3.03Å; F176-Y191 AromaticContact CD2-CD2 3.68Å; F176-Y191 HydrophobicContact CD2-CD2 3.68Å; F176-Y191 HydrophobicContact CD2-CE2 4.08Å; F176-Y191 AromaticContact CE2-CD2 3.98Å; F176-Y191 HydrophobicContact CE2-CD2 3.98Å; F176-I194 HydrophobicContact CE2-CD1 3.93Å; F176-I194 HydrophobicContact CE2-CG1 4.3Å; F176-I194 HydrophobicContact CZ-CD1 3.69Å; F176-I194 HydrophobicContact CZ-CG1 4.29Å; F176-I209 HydrophobicContact CE1-CD1 4.31Å; F176-V291 HydrophobicContact CE2-CG1 4.03Å; F176-V291 HydrophobicContact CZ-CG1 4.31Å; F176-L293 HydrophobicContact CE1-CD1 4.32Å; F176-L293 HydrophobicContact CE1-CD2 4.27Å; F176-L293 HydrophobicContact CZ-CD1 4.28Å; F176-L293 HydrophobicContact CZ-CD2 4.38Å; F176-L320 HydrophobicContact CD1-CD1 4.23Å |
| 177 | A | 98.1 | Very high | 96.9 | Very high | 9 Ų | 9 | 65.7 Ų | 65.7 | 7% | 0.074 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 115.5 | 162.9 | 0 | 0 | 0 | 0 | 0 | 108.2 | I169 K171 P186 | I169-A177 HydrophobicContact CB-CB 4.41Å; I169-A177 PolarHBondContact N-O 3.03Å; I169-A177 PolarHBondContact O-N 3.44Å; K171-A177 HydrophobicContact CD-CB 4.47Å; K171-A177 HydrophobicContact CG-CB 4.21Å; A177-P186 HydrophobicContact CB-CB 4.05Å |
| 178 | V | 98 | Very high | 96.8 | Very high | 18 Ų | 18 | 68.4 Ų | 68.4 | 11% | 0.109 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 119 | -174.3 | -175.4 | 0 | 0 | 0 | 0 | 110.1 | L167 I168 F176 P180 K187 Y189 L320 | L167-V178 CarbonylContact O-C 3.57Å; L167-V178 WeakPolarHBondContact O-CA 3.32Å; I168-V178 HydrophobicContact CG1-CG1 4.31Å; F176-V178 HydrophobicContact CB-CG2 3.99Å; V178-P180 WeakPolarHBondContact O-CD 3.33Å; V178-K187 PolarHBondContact N-O 3.44Å; V178-K187 PolarHBondContact O-N 3.21Å; V178-Y189 HydrophobicContact CB-CD2 4.26Å; V178-Y189 HydrophobicContact CB-CE2 4.05Å; V178-Y189 HydrophobicContact CG2-CD2 4.02Å; V178-Y189 HydrophobicContact CG2-CE2 4.27Å; V178-L320 HydrophobicContact CG1-CD2 3.98Å; V178-L320 HydrophobicContact CG2-CD1 3.82Å; V178-L320 HydrophobicContact CG2-CD2 4.11Å |
| 179 | K | 97.2 | Very high | 96.7 | Very high | 81 Ų | 81 | 71.4 Ų | 71.4 | 35% | 0.352 | 35% | 0.354 | S | S | . | . | trans | -87.8 | 120.1 | 174.5 | -68.9 | -173.5 | 174.6 | -174.6 | 0 | 110.1 | L167 T181 P186 | L167-K179 HydrophobicContact CB-CB 4.37Å; L167-K179 WeakPolarHBondContact CB-O 3.46Å; L167-K179 HydrophobicContact CD2-CB 3.98Å; L167-K179 PolarHBondContact O-N 3.15Å; K179-T181 WeakPolarHBondContact CB-O 3.18Å; K179-T181 PolarHBondContact O-N 2.88Å; K179-P186 HydrophobicContact CG-CB 4.08Å | ||
| 180 | P | 94.9 | Very high | 96.6 | Very high | 72 Ų | 72 | 74 Ų | 74 | 47% | 0.468 | 37% | 0.372 | S | S | . | . | S | Bend | trans | -61.7 | -32.5 | 175.1 | -23.9 | 33.9 | 0 | 0 | 0 | 113 | V178 K187 | V178-P180 WeakPolarHBondContact O-CD 3.33Å; P180-K187 HydrophobicContact CG-CD 4.29Å |
| 181 | T | 94.8 | Very high | 96.4 | Very high | 78 Ų | 78 | 73.7 Ų | 73.7 | 48% | 0.479 | 37% | 0.371 | S | S | . | . | S | Bend | trans | -142.2 | 163.5 | 174 | 74.3 | 0 | 0 | 0 | 0 | 109.5 | K179 K183 A184 | K179-T181 WeakPolarHBondContact CB-O 3.18Å; K179-T181 PolarHBondContact O-N 2.88Å; T181-K183 PolarHBondContact O-N 2.58Å; T181-A184 PolarHBondContact O-N 2.84Å; T181-A184 VanDerWaalsContact O-N 3.09Å; T181-A184 WeakPolarHBondContact OG1-CB 3.35Å; T181-A184 PolarHBondContact OG1-N 2.97Å |
| 182 | K | 92.6 | Very high | 96.3 | Very high | 171 Ų | 171 | 72.9 Ų | 72.9 | 74% | 0.743 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.2 | -28.5 | 179.9 | -68.5 | -174.2 | 176.9 | -175.1 | 0 | 114.3 | L167 | L167-K182 HydrophobicContact CD2-CG 4.02Š|
| 183 | K | 93.9 | Very high | 96.3 | Very high | 203 Ų | 203 | 74.1 Ų | 74.1 | 88% | 0.883 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.6 | -7.6 | -177 | -62.4 | -174.3 | 178.8 | -176.4 | 0 | 113.8 | T181 | T181-K183 PolarHBondContact O-N 2.58Š|
| 184 | A | 96.1 | Very high | 96.4 | Very high | 30 Ų | 30 | 70 Ų | 70 | 25% | 0.248 | 35% | 0.348 | C | S | . | . | S | Bend | trans | -82.2 | 151.2 | -179.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | T181 | T181-A184 PolarHBondContact O-N 2.84Å; T181-A184 VanDerWaalsContact O-N 3.09Å; T181-A184 WeakPolarHBondContact OG1-CB 3.35Å; T181-A184 PolarHBondContact OG1-N 2.97Å |
| 185 | E | 97.1 | Very high | 96.5 | Very high | 159 Ų | 159 | 70 Ų | 70 | 74% | 0.743 | 35% | 0.348 | S | S | * | . | P | Polyproline II helix | trans | -62.9 | 144.8 | 167.7 | -68.1 | -53 | 130.4 | 0 | 0 | 110.8 | ||
| 186 | P | 97.3 | Very high | 96.5 | Very high | 42 Ų | 42 | 68.7 Ų | 68.7 | 27% | 0.273 | 34% | 0.338 | S | S | . | . | P | Polyproline II helix | trans | -68.5 | 136.3 | 179 | 28.5 | -32.5 | 0 | 0 | 0 | 111 | A177 K179 | A177-P186 HydrophobicContact CB-CB 4.05Å; K179-P186 HydrophobicContact CG-CB 4.08Å |
| 187 | K | 97.2 | Very high | 96.6 | Very high | 117 Ų | 117 | 68.7 Ų | 68.7 | 51% | 0.509 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 140.6 | 164.4 | -66.3 | -175.5 | 177.6 | -175.8 | 0 | 109.2 | V178 P180 Y189 | V178-K187 PolarHBondContact N-O 3.44Å; V178-K187 PolarHBondContact O-N 3.21Å; P180-K187 HydrophobicContact CG-CD 4.29Å; K187-Y189 HydrophobicContact CB-CD2 4.48Å; K187-Y189 HydrophobicContact CB-CE2 3.6Å; K187-Y189 WeakPolarHBondContact CD-OH 3.25Å |
| 188 | H | 96.6 | Very high | 96.6 | Very high | 125 Ų | 125 | 68.2 Ų | 68.2 | 58% | 0.579 | 34% | 0.335 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 132.3 | -179.4 | -71.7 | -91.7 | 0 | 0 | 0 | 110.7 | F176 | F176-H188 WeakPolarHBondContact O-CA 3.35Å |
| 189 | Y | 95.2 | Very high | 96.6 | Very high | 71 Ų | 71 | 67.5 Ų | 67.5 | 28% | 0.278 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 150.3 | 176.9 | -55.9 | -85.2 | 0 | 0 | 0 | 109.1 | S175 F176 V178 K187 Y191 | S175-Y189 CarbonylContact C-O 3.55Å; S175-Y189 VanDerWaalsContact CA-O 3.28Å; S175-Y189 WeakPolarHBondContact CA-O 3.48Å; F176-Y189 PolarHBondContact N-O 3.06Å; F176-Y189 PolarHBondContact O-N 3.03Å; V178-Y189 HydrophobicContact CB-CD2 4.26Å; V178-Y189 HydrophobicContact CB-CE2 4.05Å; V178-Y189 HydrophobicContact CG2-CD2 4.02Å; V178-Y189 HydrophobicContact CG2-CE2 4.27Å; K187-Y189 HydrophobicContact CB-CD2 4.48Å; K187-Y189 HydrophobicContact CB-CE2 3.6Å; K187-Y189 WeakPolarHBondContact CD-OH 3.25Å; Y189-Y191 WeakPolarHBondContact CB-OH 3.33Å; Y189-Y191 HydrophobicContact CG-CE2 4.24Å |
| 190 | T | 95.7 | Very high | 96.5 | Very high | 97 Ų | 97 | 64.7 Ų | 64.7 | 60% | 0.595 | 33% | 0.325 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 125.9 | 175.6 | -59.8 | 0 | 0 | 0 | 0 | 108.3 | G174 | G174-T190 WeakPolarHBondContact O-CA 3.38Å |
| 191 | Y | 96.1 | Very high | 96.4 | Very high | 5 Ų | 5 | 63.7 Ų | 63.7 | 2% | 0.02 | 32% | 0.32 | C | S | . | . | trans | -124.3 | 144.4 | -178.7 | -55.8 | -82.2 | 0 | 0 | 0 | 109.8 | G174 F176 Y189 S288 V291 D318 | G174-Y191 WeakPolarHBondContact CA-O 3.43Å; G174-Y191 PolarHBondContact O-N 2.83Å; F176-Y191 AromaticContact CD2-CD2 3.68Å; F176-Y191 HydrophobicContact CD2-CD2 3.68Å; F176-Y191 HydrophobicContact CD2-CE2 4.08Å; F176-Y191 AromaticContact CE2-CD2 3.98Å; F176-Y191 HydrophobicContact CE2-CD2 3.98Å; Y189-Y191 WeakPolarHBondContact CB-OH 3.33Å; Y189-Y191 HydrophobicContact CG-CE2 4.24Å; Y191-S288 WeakPolarHBondContact CD1-O 3.34Å; Y191-V291 HydrophobicContact CD1-CB 3.72Å; Y191-V291 HydrophobicContact CD1-CG1 4.32Å; Y191-V291 HydrophobicContact CD2-CB 3.61Å; Y191-V291 HydrophobicContact CD2-CG1 3.63Å; Y191-V291 HydrophobicContact CD2-CG2 4.27Å; Y191-V291 HydrophobicContact CE1-CB 3.84Å; Y191-V291 HydrophobicContact CE1-CG2 4.47Å; Y191-V291 HydrophobicContact CE2-CB 3.7Å; Y191-V291 HydrophobicContact CE2-CG1 4.14Å; Y191-V291 HydrophobicContact CE2-CG2 3.91Å; Y191-V291 HydrophobicContact CG-CB 3.62Å; Y191-V291 HydrophobicContact CG-CG1 3.72Å; Y191-D318 HydrophobicContact CE1-CB 4.34Å; Y191-D318 PolarHBondContact OH-OD1 2.99Å | ||
| 192 | K | 95.7 | Very high | 96.5 | Very high | 123 Ų | 123 | 60.1 Ų | 60.1 | 54% | 0.535 | 30% | 0.298 | S | S | . | . | S | Bend | trans | -85.5 | -33.5 | 174.1 | -62.8 | -179.8 | -168.5 | 133.9 | 0 | 111.6 | R222 D289 | K192-R222 PolarHBondContact O-N 2.99Å; K192-D289 WeakPolarHBondContact CD-OD1 3.28Å; K192-D289 VanDerWaalsContact CE-OD1 3.28Å; K192-D289 WeakPolarHBondContact CE-OD1 3.4Å; K192-D289 PolarHBondContact N-O 3.46Å; K192-D289 IonicContact NZ-OD1 2.83Å; K192-D289 PolarHBondContact NZ-OD1 2.96Å; K192-D289 IonicContact NZ-OD2 3.49Å; K192-D289 PolarHBondContact NZ-OD2 2.84Å |
| 193 | N | 97.3 | Very high | 96.7 | Very high | 41 Ų | 41 | 52 Ų | 52 | 22% | 0.219 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 138 | -176.7 | -50.8 | -70.8 | 0 | 0 | 0 | 110.5 | R222 P282 D289 T290 V291 | N193-R222 CarbonylContact C-O 3.59Å; N193-R222 WeakPolarHBondContact CA-O 3.32Å; N193-P282 HydrophobicContact CB-CB 3.76Å; N193-P282 HydrophobicContact CB-CG 3.89Å; N193-D289 PolarHBondContact N-O 3.39Å; N193-T290 HydrophobicContact CB-CG2 4.47Å; N193-T290 WeakPolarHBondContact O-CA 3.15Å; N193-V291 PolarHBondContact O-N 2.92Å |
| 194 | I | 98.2 | Very high | 96.9 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 114.3 | 173.6 | -59.1 | 172.3 | 0 | 0 | 0 | 107.9 | Y170 F176 M196 I209 I213 T221 R222 V223 S224 V291 L293 | Y170-I194 HydrophobicContact CE2-CD1 4.3Å; F176-I194 HydrophobicContact CE2-CD1 3.93Å; F176-I194 HydrophobicContact CE2-CG1 4.3Å; F176-I194 HydrophobicContact CZ-CD1 3.69Å; F176-I194 HydrophobicContact CZ-CG1 4.29Å; I194-M196 HydrophobicContact CB-CE 4.48Å; I194-M196 HydrophobicContact CG2-CE 3.63Å; I194-M196 HydrophobicContact CG2-CG 3.77Å; I194-I209 HydrophobicContact CD1-CG2 4.29Å; I194-I213 HydrophobicContact CD1-CD1 3.68Å; I194-T221 HydrophobicContact CD1-CG2 3.44Å; I194-T221 VanDerWaalsContact CD1-CG2 3.44Å; I194-T221 HydrophobicContact CG1-CG2 3.67Å; I194-R222 PolarHBondContact N-O 3.47Å; I194-V223 HydrophobicContact CB-CG2 4.35Å; I194-V223 HydrophobicContact CD1-CG2 4.43Å; I194-V223 CarbonylContact O-C 3.57Å; I194-V223 WeakPolarHBondContact O-CA 3.28Å; I194-S224 PolarHBondContact O-N 3.29Å; I194-V291 WeakPolarHBondContact CA-O 3.09Å; I194-V291 HydrophobicContact CB-CG1 4.27Å; I194-V291 HydrophobicContact CG1-CG1 3.79Å; I194-V291 HydrophobicContact CG2-CG1 4.17Å; I194-L293 HydrophobicContact CG2-CD1 3.63Å; I194-L293 HydrophobicContact CG2-CG 3.7Å |
| 195 | G | 98.4 | Very high | 97 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 139.4 | 161.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | S224 V291 I292 L293 | G195-S224 CarbonylContact C-O 3.52Å; G195-S224 WeakPolarHBondContact CA-O 3.32Å; G195-V291 PolarHBondContact N-O 3.3Å; G195-I292 CarbonylContact O-C 3.56Å; G195-I292 VanDerWaalsContact O-CA 3.31Å; G195-I292 WeakPolarHBondContact O-CA 3.49Å; G195-L293 PolarHBondContact O-N 2.96Å |
| 196 | M | 98.9 | Very high | 97.1 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 135.7 | 178.9 | -58.5 | -175.6 | 178.5 | 0 | 0 | 109.9 | I194 M206 I209 I210 V223 S224 L225 I226 L293 | I194-M196 HydrophobicContact CB-CE 4.48Å; I194-M196 HydrophobicContact CG2-CE 3.63Å; I194-M196 HydrophobicContact CG2-CG 3.77Å; M196-M206 HydrophobicContact CB-CG 4.39Å; M196-M206 HydrophobicContact CB-SD 3.95Å; M196-M206 HydrophobicContact CG-SD 3.9Å; M196-M206 HydrophobicContact SD-CB 3.74Å; M196-M206 HydrophobicContact SD-CG 4.15Å; M196-M206 HydrophobicContact SD-SD 3.78Å; M196-I209 HydrophobicContact CE-CB 3.99Å; M196-I209 HydrophobicContact CE-CG2 3.62Å; M196-I210 HydrophobicContact CE-CG1 3.93Å; M196-I210 HydrophobicContact SD-CD1 3.9Å; M196-I210 HydrophobicContact SD-CG1 3.84Å; M196-V223 HydrophobicContact CE-CG1 3.5Å; M196-V223 VanDerWaalsContact CE-CG1 3.5Å; M196-V223 HydrophobicContact CE-CG2 4.47Å; M196-V223 HydrophobicContact CG-CG1 4.19Å; M196-V223 HydrophobicContact SD-CG1 3.74Å; M196-S224 PolarHBondContact N-O 2.87Å; M196-L225 HydrophobicContact CB-CB 4.3Å; M196-L225 HydrophobicContact CB-CD1 3.62Å; M196-L225 WeakPolarHBondContact O-CA 3.3Å; M196-I226 PolarHBondContact O-N 3.24Å; M196-L293 CarbonylContact C-O 3.51Å; M196-L293 WeakPolarHBondContact CA-O 3.41Å; M196-L293 HydrophobicContact CE-CD1 3.92Å; M196-L293 HydrophobicContact CG-CB 4.21Å; M196-L293 HydrophobicContact CG-CD1 4.31Å; M196-L293 HydrophobicContact CG-CG 4.49Å |
| 197 | I | 98.9 | Very high | 97.1 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 109.4 | 170.4 | -51.6 | 170 | 0 | 0 | 0 | 108.2 | I226 V272 I277 L281 I292 L293 M294 C295 M300 C305 | I197-I226 WeakPolarHBondContact CA-O 3.28Å; I197-V272 HydrophobicContact CD1-CG1 4.42Å; I197-V272 HydrophobicContact CG2-CG1 4.2Å; I197-V272 HydrophobicContact CG2-CG2 4.01Å; I197-I277 HydrophobicContact CD1-CD1 3.77Å; I197-I277 HydrophobicContact CD1-CG1 4.08Å; I197-L281 HydrophobicContact CD1-CD1 3.98Å; I197-L281 HydrophobicContact CG1-CD1 3.63Å; I197-I292 HydrophobicContact CD1-CG2 4.31Å; I197-L293 PolarHBondContact N-O 3.49Å; I197-M294 HydrophobicContact CB-CG 4.24Å; I197-M294 HydrophobicContact CD1-CG 4.41Å; I197-M294 WeakPolarHBondContact O-CA 3.18Å; I197-C295 PolarHBondContact O-N 3.4Å; I197-C295 VanDerWaalsContact O-N 3.08Å; I197-M300 HydrophobicContact CG2-CE 4.44Å; I197-C305 HydrophobicContact CD1-CB 4.26Å |
| 198 | A | 98.7 | Very high | 97.2 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 145 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | I203 M206 L225 I226 F227 A228 C295 | A198-I203 HydrophobicContact CB-CB 4.4Å; A198-I203 HydrophobicContact CB-CD1 4.12Å; A198-M206 HydrophobicContact CB-CG 4.12Å; A198-L225 HydrophobicContact CB-CD1 3.95Å; A198-I226 PolarHBondContact N-O 2.74Å; A198-F227 HydrophobicContact CB-CD2 3.61Å; A198-F227 HydrophobicContact CB-CE2 4.09Å; A198-F227 HydrophobicContact CB-CG 4.43Å; A198-A228 PolarHBondContact O-N 2.9Å; A198-C295 CarbonylContact C-O 3.52Å; A198-C295 VanDerWaalsContact CA-O 3.31Å; A198-C295 WeakPolarHBondContact CA-O 3.39Å |
| 199 | G | 97.8 | Very high | 97.3 | Very high | 3 Ų | 3 | 22.1 Ų | 22.1 | 3% | 0.031 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 119 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112 | S201 G202 A228 C295 M300 | G199-S201 PolarHBondContact O-N 2.85Å; G199-G202 PolarHBondContact O-N 2.81Å; G199-A228 WeakPolarHBondContact CA-O 3.49Å; G199-C295 PolarHBondContact N-O 3.46Å; G199-M300 VanDerWaalsContact CA-SD 3.54Å |
| 200 | G | 94.4 | Very high | 97.4 | Very high | 21 Ų | 21 | 18.8 Ų | 18.8 | 22% | 0.216 | 11% | 0.108 | C | C | . | . | G | 310 helix | trans | 52.9 | -121.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | G202 I203 F227 A228 | G200-G202 PolarHBondContact O-N 2.8Å; G200-G202 VanDerWaalsContact O-N 3.13Å; G200-I203 PolarHBondContact O-N 3.47Å; G200-F227 WeakPolarHBondContact O-CE2 3.35Å; G200-F227 WeakPolarHBondContact O-CZ 3.4Å; G200-A228 PolarHBondContact N-O 3.21Å |
| 201 | S | 93.7 | Very high | 97.5 | Very high | 52 Ų | 52 | 16 Ų | 16 | 36% | 0.364 | 9% | 0.093 | S | C | . | . | G | 310 helix | trans | -67.7 | -9.4 | 179.2 | 60.5 | 0 | 0 | 0 | 0 | 114.6 | G199 I203 T204 | G199-S201 PolarHBondContact O-N 2.85Å; S201-I203 PolarHBondContact O-N 2.93Å; S201-I203 VanDerWaalsContact O-N 3.11Å; S201-T204 PolarHBondContact O-N 3.26Å; S201-T204 PolarHBondContact O-OG1 2.95Å |
| 202 | G | 96.3 | Very high | 97.6 | Very high | 3 Ų | 3 | 16.4 Ų | 16.4 | 3% | 0.031 | 10% | 0.097 | C | C | . | . | G | 310 helix | trans | -63.6 | -7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | G199 G200 T204 P205 C295 | G199-G202 PolarHBondContact O-N 2.81Å; G200-G202 PolarHBondContact O-N 2.8Å; G200-G202 VanDerWaalsContact O-N 3.13Å; G202-T204 PolarHBondContact O-N 2.94Å; G202-P205 WeakPolarHBondContact O-CD 3.24Å; G202-P205 WeakPolarHBondContact O-CG 3.49Å; G202-C295 WeakPolarHBondContact O-CB 3.42Å |
| 203 | I | 97.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 10.6 Ų | 10.6 | 0% | 0 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -65.1 | -25.8 | 172.4 | -169.1 | 59.9 | 0 | 0 | 0 | 113.5 | A198 G200 S201 M206 L207 L225 F227 L236 L237 L241 | A198-I203 HydrophobicContact CB-CB 4.4Å; A198-I203 HydrophobicContact CB-CD1 4.12Å; G200-I203 PolarHBondContact O-N 3.47Å; S201-I203 PolarHBondContact O-N 2.93Å; S201-I203 VanDerWaalsContact O-N 3.11Å; I203-M206 HydrophobicContact CD1-CB 4.25Å; I203-M206 CarbonylContact O-C 3.58Å; I203-M206 WeakPolarHBondContact O-CA 3.31Å; I203-M206 WeakPolarHBondContact O-CB 3.33Å; I203-M206 PolarHBondContact O-N 3.18Å; I203-M206 VanDerWaalsContact O-N 3.1Å; I203-L207 PolarHBondContact O-N 2.8Å; I203-L225 HydrophobicContact CD1-CD1 4.36Å; I203-L225 HydrophobicContact CD1-CD2 3.57Å; I203-F227 HydrophobicContact CB-CD2 4.39Å; I203-F227 HydrophobicContact CB-CE1 4.07Å; I203-F227 HydrophobicContact CB-CE2 3.71Å; I203-F227 HydrophobicContact CB-CZ 3.52Å; I203-F227 HydrophobicContact CD1-CD1 4.12Å; I203-F227 HydrophobicContact CD1-CD2 4.34Å; I203-F227 HydrophobicContact CD1-CE1 4.23Å; I203-F227 HydrophobicContact CD1-CE2 4.45Å; I203-F227 HydrophobicContact CD1-CG 4.2Å; I203-F227 HydrophobicContact CD1-CZ 4.4Å; I203-F227 HydrophobicContact CG1-CD1 4.36Å; I203-F227 HydrophobicContact CG1-CE1 3.96Å; I203-F227 HydrophobicContact CG1-CE2 4.35Å; I203-F227 HydrophobicContact CG1-CZ 3.96Å; I203-F227 HydrophobicContact CG2-CE1 4.4Å; I203-F227 HydrophobicContact CG2-CE2 4.33Å; I203-F227 HydrophobicContact CG2-CZ 3.77Å; I203-L236 HydrophobicContact CG2-CB 3.98Å; I203-L236 HydrophobicContact CG2-CD1 4.47Å; I203-L237 HydrophobicContact CG2-CD1 4.12Å; I203-L241 HydrophobicContact CD1-CD1 3.91Å; I203-L241 HydrophobicContact CD1-CD2 4.19Å; I203-L241 HydrophobicContact CG1-CD1 4.13Å |
| 204 | T | 97.6 | Very high | 97.7 | Very high | 16 Ų | 16 | 8.9 Ų | 8.9 | 10% | 0.098 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -61.6 | -46.8 | -171.8 | 50.2 | 0 | 0 | 0 | 0 | 115 | I116 S201 G202 M206 L207 Q208 | I116-T204 HydrophobicContact CG2-CG2 4.03Å; S201-T204 PolarHBondContact O-N 3.26Å; S201-T204 PolarHBondContact O-OG1 2.95Å; G202-T204 PolarHBondContact O-N 2.94Å; T204-M206 VanDerWaalsContact C-N 3.3Å; T204-M206 PolarHBondContact O-N 2.86Å; T204-L207 PolarHBondContact O-N 3.19Å; T204-Q208 PolarHBondContact O-N 3.23Å |
| 205 | P | 98.1 | Very high | 97.6 | Very high | 4 Ų | 4 | 14.2 Ų | 14.2 | 3% | 0.026 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -66.2 | -30.8 | 171.3 | 26.2 | -35.7 | 0 | 0 | 0 | 113.3 | T114 G202 Q208 I209 C295 F322 | T114-P205 HydrophobicContact CG2-CB 4.27Å; G202-P205 WeakPolarHBondContact O-CD 3.24Å; G202-P205 WeakPolarHBondContact O-CG 3.49Å; P205-Q208 PolarHBondContact O-N 2.66Å; P205-I209 PolarHBondContact O-N 2.81Å; P205-C295 HydrophobicContact CG-CB 3.87Å; P205-F322 HydrophobicContact CB-CB 4.22Å; P205-F322 HydrophobicContact CB-CD1 3.85Å; P205-F322 HydrophobicContact CB-CE1 4.38Å; P205-F322 HydrophobicContact CB-CG 3.96Å; P205-F322 HydrophobicContact CG-CB 4.08Å; P205-F322 HydrophobicContact CG-CG 4.25Å |
| 206 | M | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -67.1 | -45.2 | 176.8 | -56.5 | -52.5 | 159.4 | 0 | 0 | 110.6 | M196 A198 I203 T204 Q208 I209 I210 L293 M294 C295 F322 | M196-M206 HydrophobicContact CB-CG 4.39Å; M196-M206 HydrophobicContact CB-SD 3.95Å; M196-M206 HydrophobicContact CG-SD 3.9Å; M196-M206 HydrophobicContact SD-CB 3.74Å; M196-M206 HydrophobicContact SD-CG 4.15Å; M196-M206 HydrophobicContact SD-SD 3.78Å; A198-M206 HydrophobicContact CB-CG 4.12Å; I203-M206 HydrophobicContact CD1-CB 4.25Å; I203-M206 CarbonylContact O-C 3.58Å; I203-M206 WeakPolarHBondContact O-CA 3.31Å; I203-M206 WeakPolarHBondContact O-CB 3.33Å; I203-M206 PolarHBondContact O-N 3.18Å; I203-M206 VanDerWaalsContact O-N 3.1Å; T204-M206 VanDerWaalsContact C-N 3.3Å; T204-M206 PolarHBondContact O-N 2.86Å; M206-Q208 VanDerWaalsContact C-N 3.32Å; M206-Q208 PolarHBondContact O-N 3.49Å; M206-I209 PolarHBondContact O-N 2.85Å; M206-I209 VanDerWaalsContact O-N 3.13Å; M206-I210 HydrophobicContact CB-CD1 4.37Å; M206-I210 WeakPolarHBondContact O-CD1 3.39Å; M206-I210 VanDerWaalsContact O-CG1 3.24Å; M206-I210 WeakPolarHBondContact O-CG1 3.28Å; M206-I210 PolarHBondContact O-N 3.36Å; M206-L293 HydrophobicContact CE-CB 3.88Å; M206-L293 HydrophobicContact SD-CB 3.77Å; M206-L293 HydrophobicContact SD-CD1 4.31Å; M206-M294 VanDerWaalsContact CE-C 3.46Å; M206-C295 HydrophobicContact CE-CB 3.61Å; M206-F322 HydrophobicContact CE-CD2 3.89Å; M206-F322 HydrophobicContact CE-CE2 4.27Å |
| 207 | L | 98.2 | Very high | 97.2 | Very high | 6 Ų | 6 | 25.3 Ų | 25.3 | 3% | 0.031 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -59.8 | -42 | 176.8 | -177.2 | 63.9 | 0 | 0 | 0 | 111.4 | I116 I203 T204 I209 I210 S211 L237 E240 L241 L244 | I116-L207 HydrophobicContact CB-CD2 4.45Å; I116-L207 HydrophobicContact CG2-CD2 4.32Å; I203-L207 PolarHBondContact O-N 2.8Å; T204-L207 PolarHBondContact O-N 3.19Å; L207-I209 VanDerWaalsContact C-N 3.27Å; L207-I209 PolarHBondContact O-N 3.06Å; L207-I210 PolarHBondContact O-N 3Å; L207-S211 WeakPolarHBondContact O-CB 3.31Å; L207-S211 PolarHBondContact O-N 2.7Å; L207-S211 PolarHBondContact O-OG 3.13Å; L207-S211 VanDerWaalsContact O-OG 3.06Å; L207-L237 HydrophobicContact CD2-CD1 3.62Å; L207-L237 HydrophobicContact CD2-CD2 4.42Å; L207-L237 HydrophobicContact CD2-CG 4.42Å; L207-E240 HydrophobicContact CD1-CG 4.03Å; L207-E240 HydrophobicContact CD2-CG 4.45Å; L207-L241 HydrophobicContact CD1-CD2 4.38Å; L207-L244 HydrophobicContact CD1-CD1 4.04Å |
| 208 | Q | 98.1 | Very high | 97.1 | Very high | 23 Ų | 23 | 33.4 Ų | 33.4 | 11% | 0.107 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -54.8 | -44.6 | 175.3 | -76.7 | -167 | -11.2 | 0 | 0 | 112.4 | V94 Q96 T114 P115 T204 P205 M206 A212 | V94-Q208 HydrophobicContact CG1-CB 4.27Å; V94-Q208 WeakPolarHBondContact CG1-O 3.43Å; Q96-Q208 PolarHBondContact O-OE1 3Å; T114-Q208 HydrophobicContact CG2-CG 3.92Å; P115-Q208 WeakPolarHBondContact O-CG 3.37Å; P115-Q208 PolarHBondContact O-NE2 3.04Å; T204-Q208 PolarHBondContact O-N 3.23Å; P205-Q208 PolarHBondContact O-N 2.66Å; M206-Q208 VanDerWaalsContact C-N 3.32Å; M206-Q208 PolarHBondContact O-N 3.49Å; Q208-A212 VanDerWaalsContact O-CB 3.28Å; Q208-A212 WeakPolarHBondContact O-CB 3.47Å; Q208-A212 PolarHBondContact O-N 3.31Å; Q208-A212 VanDerWaalsContact O-N 3.1Å |
| 209 | I | 98.6 | Very high | 97 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -71.6 | -46.1 | -179.9 | -65.2 | 170.6 | 0 | 0 | 0 | 110.5 | V94 Y170 F176 I194 M196 P205 M206 L207 S211 A212 I213 L293 F322 | V94-I209 HydrophobicContact CG1-CG1 3.92Å; Y170-I209 HydrophobicContact CD2-CG2 4.5Å; Y170-I209 HydrophobicContact CG-CG2 4.32Å; F176-I209 HydrophobicContact CE1-CD1 4.31Å; I194-I209 HydrophobicContact CD1-CG2 4.29Å; M196-I209 HydrophobicContact CE-CB 3.99Å; M196-I209 HydrophobicContact CE-CG2 3.62Å; P205-I209 PolarHBondContact O-N 2.81Å; M206-I209 PolarHBondContact O-N 2.85Å; M206-I209 VanDerWaalsContact O-N 3.13Å; L207-I209 VanDerWaalsContact C-N 3.27Å; L207-I209 PolarHBondContact O-N 3.06Å; I209-S211 PolarHBondContact O-N 2.89Å; I209-A212 PolarHBondContact O-N 2.8Å; I209-I213 HydrophobicContact CG2-CD1 3.71Å; I209-I213 HydrophobicContact CG2-CG1 4.45Å; I209-I213 VanDerWaalsContact O-CG1 3.31Å; I209-I213 WeakPolarHBondContact O-CG1 3.48Å; I209-I213 PolarHBondContact O-N 2.82Å; I209-L293 HydrophobicContact CD1-CD1 3.53Å; I209-F322 HydrophobicContact CD1-CE1 4.22Å; I209-F322 HydrophobicContact CD1-CE2 4.26Å; I209-F322 HydrophobicContact CD1-CZ 3.54Å |
| 210 | I | 98.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -56.2 | -54.1 | 177.3 | -66.8 | 160.9 | 0 | 0 | 0 | 109.7 | M196 M206 L207 A212 I213 M214 V223 L225 L241 L244 F252 | M196-I210 HydrophobicContact CE-CG1 3.93Å; M196-I210 HydrophobicContact SD-CD1 3.9Å; M196-I210 HydrophobicContact SD-CG1 3.84Å; M206-I210 HydrophobicContact CB-CD1 4.37Å; M206-I210 WeakPolarHBondContact O-CD1 3.39Å; M206-I210 VanDerWaalsContact O-CG1 3.24Å; M206-I210 WeakPolarHBondContact O-CG1 3.28Å; M206-I210 PolarHBondContact O-N 3.36Å; L207-I210 PolarHBondContact O-N 3Å; I210-A212 VanDerWaalsContact C-N 3.29Å; I210-A212 PolarHBondContact O-N 2.75Å; I210-I213 PolarHBondContact O-N 3.02Å; I210-I213 VanDerWaalsContact O-N 3.13Å; I210-M214 HydrophobicContact CG2-CG 4Å; I210-M214 WeakPolarHBondContact O-CB 3.47Å; I210-M214 VanDerWaalsContact O-CG 3.27Å; I210-M214 WeakPolarHBondContact O-CG 3.36Å; I210-M214 PolarHBondContact O-N 2.82Å; I210-V223 HydrophobicContact CG1-CG1 4.06Å; I210-L225 HydrophobicContact CD1-CD2 4.15Å; I210-L241 HydrophobicContact CD1-CD2 4.27Å; I210-L244 HydrophobicContact CG2-CD1 4Å; I210-F252 HydrophobicContact CD1-CE2 3.72Å; I210-F252 HydrophobicContact CD1-CZ 3.8Å; I210-F252 HydrophobicContact CG1-CE2 4.08Å; I210-F252 HydrophobicContact CG1-CZ 4.45Å; I210-F252 HydrophobicContact CG2-CD1 4.25Å; I210-F252 HydrophobicContact CG2-CD2 4.32Å; I210-F252 HydrophobicContact CG2-CE1 4.13Å; I210-F252 HydrophobicContact CG2-CE2 4.2Å; I210-F252 HydrophobicContact CG2-CG 4.37Å; I210-F252 HydrophobicContact CG2-CZ 4.11Å |
| 211 | S | 97.5 | Very high | 97.1 | Very high | 39 Ų | 39 | 36.9 Ų | 36.9 | 27% | 0.273 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -59.9 | -38.3 | 179.9 | -61 | 0 | 0 | 0 | 0 | 112.1 | L207 I209 K215 | L207-S211 WeakPolarHBondContact O-CB 3.31Å; L207-S211 PolarHBondContact O-N 2.7Å; L207-S211 PolarHBondContact O-OG 3.13Å; L207-S211 VanDerWaalsContact O-OG 3.06Å; I209-S211 PolarHBondContact O-N 2.89Å; S211-K215 WeakPolarHBondContact O-CB 3.32Å; S211-K215 WeakPolarHBondContact O-CG 3.3Å; S211-K215 PolarHBondContact O-N 2.69Å |
| 212 | A | 98 | Very high | 97.3 | Very high | 14 Ų | 14 | 41.9 Ų | 41.9 | 12% | 0.116 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -65.7 | -36.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | V94 Y170 Q208 I209 I210 K215 | V94-A212 HydrophobicContact CB-CB 4.49Å; V94-A212 HydrophobicContact CG1-CB 3.82Å; V94-A212 HydrophobicContact CG2-CB 3.93Å; Y170-A212 HydrophobicContact CD1-CB 4.35Å; Q208-A212 VanDerWaalsContact O-CB 3.28Å; Q208-A212 WeakPolarHBondContact O-CB 3.47Å; Q208-A212 PolarHBondContact O-N 3.31Å; Q208-A212 VanDerWaalsContact O-N 3.1Å; I209-A212 PolarHBondContact O-N 2.8Å; I210-A212 VanDerWaalsContact C-N 3.29Å; I210-A212 PolarHBondContact O-N 2.75Å; A212-K215 WeakPolarHBondContact O-CG 3.35Å |
| 213 | I | 98.3 | Very high | 97.4 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -74.6 | -46.9 | 176.3 | -66 | 167.3 | 0 | 0 | 0 | 110.6 | Y170 I194 I209 I210 K215 N216 D219 T221 V223 | Y170-I213 HydrophobicContact CD1-CG1 4.4Å; Y170-I213 HydrophobicContact CE1-CD1 4.13Å; Y170-I213 HydrophobicContact CE1-CG1 3.46Å; Y170-I213 VanDerWaalsContact CE1-CG1 3.46Å; Y170-I213 HydrophobicContact CE2-CD1 4.39Å; Y170-I213 WeakPolarHBondContact OH-CG1 3.43Å; I194-I213 HydrophobicContact CD1-CD1 3.68Å; I209-I213 HydrophobicContact CG2-CD1 3.71Å; I209-I213 HydrophobicContact CG2-CG1 4.45Å; I209-I213 VanDerWaalsContact O-CG1 3.31Å; I209-I213 WeakPolarHBondContact O-CG1 3.48Å; I209-I213 PolarHBondContact O-N 2.82Å; I210-I213 PolarHBondContact O-N 3.02Å; I210-I213 VanDerWaalsContact O-N 3.13Å; I213-K215 PolarHBondContact O-N 3.33Å; I213-N216 PolarHBondContact O-N 3.43Å; I213-D219 HydrophobicContact CG2-CB 4.35Å; I213-T221 HydrophobicContact CD1-CG2 4.04Å; I213-V223 HydrophobicContact CD1-CG2 3.56Å |
| 214 | M | 97.7 | Very high | 97.4 | Very high | 5 Ų | 5 | 43 Ų | 43 | 3% | 0.025 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -68.9 | -34.4 | -174 | -65.3 | -43.5 | 134.2 | 0 | 0 | 112.5 | I210 N216 V223 L244 H248 K251 F252 | I210-M214 HydrophobicContact CG2-CG 4Å; I210-M214 WeakPolarHBondContact O-CB 3.47Å; I210-M214 VanDerWaalsContact O-CG 3.27Å; I210-M214 WeakPolarHBondContact O-CG 3.36Å; I210-M214 PolarHBondContact O-N 2.82Å; M214-N216 VanDerWaalsContact C-N 3.26Å; M214-N216 PolarHBondContact O-N 3.09Å; M214-V223 HydrophobicContact CE-CB 4.34Å; M214-V223 HydrophobicContact CE-CG2 4.02Å; M214-L244 HydrophobicContact CB-CD2 4.22Å; M214-L244 HydrophobicContact CG-CD2 4.44Å; M214-H248 HydrophobicContact CG-CB 4.43Å; M214-H248 PolarHBondContact O-CE1 2.89Å; M214-H248 HydrophobicContact SD-CB 3.55Å; M214-H248 VanDerWaalsContact SD-CB 3.55Å; M214-K251 HydrophobicContact CE-CB 4.25Å; M214-K251 HydrophobicContact SD-CB 4.19Å; M214-F252 HydrophobicContact CE-CB 3.71Å; M214-F252 HydrophobicContact CE-CG 4.33Å; M214-F252 HydrophobicContact SD-CB 3.99Å |
| 215 | K | 95.4 | Very high | 97.5 | Very high | 112 Ų | 112 | 42.3 Ų | 42.3 | 49% | 0.487 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | -22.8 | 175.4 | 76.4 | -174.9 | -171.7 | 169.8 | 0 | 113.7 | D120 S211 A212 I213 | D120-K215 IonicContact OD1-NZ 3.54Å; D120-K215 PolarHBondContact OD1-NZ 3.47Å; D120-K215 WeakPolarHBondContact OD2-CD 3.26Å; D120-K215 IonicContact OD2-NZ 2.9Å; D120-K215 PolarHBondContact OD2-NZ 2.98Å; S211-K215 WeakPolarHBondContact O-CB 3.32Å; S211-K215 WeakPolarHBondContact O-CG 3.3Å; S211-K215 PolarHBondContact O-N 2.69Å; A212-K215 WeakPolarHBondContact O-CG 3.35Å; I213-K215 PolarHBondContact O-N 3.33Å |
| 216 | N | 95.7 | Very high | 97.5 | Very high | 52 Ų | 52 | 42.1 Ų | 42.1 | 28% | 0.278 | 21% | 0.208 | S | C | . | . | trans | -99.2 | 104.3 | 177.8 | -176.5 | 12.3 | 0 | 0 | 0 | 110.6 | I213 M214 E218 D219 K251 | I213-N216 PolarHBondContact O-N 3.43Å; M214-N216 VanDerWaalsContact C-N 3.26Å; M214-N216 PolarHBondContact O-N 3.09Å; N216-E218 PolarHBondContact O-N 3.06Å; N216-E218 PolarHBondContact OD1-N 2.91Å; N216-E218 VanDerWaalsContact OD1-N 3.08Å; N216-D219 HydrophobicContact CB-CB 3.96Å; N216-D219 WeakPolarHBondContact O-CB 3.12Å; N216-D219 PolarHBondContact O-N 3.46Å; N216-D219 VanDerWaalsContact O-N 3.11Å; N216-K251 PolarHBondContact O-NZ 3.08Å | ||
| 217 | Q | 93.5 | Very high | 97.5 | Very high | 182 Ų | 182 | 42.1 Ų | 42.1 | 85% | 0.85 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | -25.9 | 178.6 | -68.5 | 179.5 | 58.2 | 0 | 0 | 112.9 | D219 | Q217-D219 VanDerWaalsContact C-N 3.27Å; Q217-D219 PolarHBondContact O-N 3Å |
| 218 | E | 96 | Very high | 97.6 | Very high | 169 Ų | 169 | 42.6 Ų | 42.6 | 79% | 0.79 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.8 | -8.1 | 178.4 | -59 | -177.8 | 169.3 | 0 | 0 | 112.8 | N216 P220 | N216-E218 PolarHBondContact O-N 3.06Å; N216-E218 PolarHBondContact OD1-N 2.91Å; N216-E218 VanDerWaalsContact OD1-N 3.08Å; E218-P220 VanDerWaalsContact O-CD 3.28Å; E218-P220 WeakPolarHBondContact O-CD 3.35Å |
| 219 | D | 97.7 | Very high | 97.5 | Very high | 1 Ų | 1 | 42 Ų | 42 | 1% | 0.005 | 21% | 0.211 | C | C | . | . | trans | -80 | 111.7 | 177.5 | -158.7 | -43 | 0 | 0 | 0 | 110.7 | Y170 N173 I213 N216 Q217 T221 K251 | Y170-D219 PolarHBondContact OH-OD1 2.85Å; Y170-D219 PolarHBondContact OH-OD2 3.34Å; N173-D219 WeakPolarHBondContact CA-OD1 3.32Å; N173-D219 VanDerWaalsContact N-CG 3.33Å; N173-D219 PolarHBondContact N-OD2 3.3Å; N173-D219 WeakPolarHBondContact OD1-CA 3.48Å; I213-D219 HydrophobicContact CG2-CB 4.35Å; N216-D219 HydrophobicContact CB-CB 3.96Å; N216-D219 WeakPolarHBondContact O-CB 3.12Å; N216-D219 PolarHBondContact O-N 3.46Å; N216-D219 VanDerWaalsContact O-N 3.11Å; Q217-D219 VanDerWaalsContact C-N 3.27Å; Q217-D219 PolarHBondContact O-N 3Å; D219-T221 PolarHBondContact O-N 3.33Å; D219-T221 WeakPolarHBondContact OD1-CB 3.13Å; D219-T221 PolarHBondContact OD1-N 2.78Å; D219-T221 VanDerWaalsContact OD1-N 3.12Å; D219-T221 PolarHBondContact OD1-OG1 3.35Å; D219-K251 PolarHBondContact O-NZ 2.83Å | ||
| 220 | P | 96 | Very high | 97.2 | Very high | 96 Ų | 96 | 47 Ų | 47 | 62% | 0.623 | 23% | 0.233 | S | C | * | . | trans | -81.7 | -1.3 | -174.8 | 36.1 | -36.8 | 0 | 0 | 0 | 112.8 | E218 R222 | E218-P220 VanDerWaalsContact O-CD 3.28Å; E218-P220 WeakPolarHBondContact O-CD 3.35Å; P220-R222 PolarHBondContact O-N 2.94Å | ||
| 221 | T | 97.7 | Very high | 96.9 | Very high | 1 Ų | 1 | 48.5 Ų | 48.5 | 1% | 0.006 | 24% | 0.24 | C | C | . | . | trans | -64.2 | 131.9 | -172.3 | -48.9 | 0 | 0 | 0 | 0 | 111.4 | Y170 G174 I194 I213 D219 | Y170-T221 PolarHBondContact OH-OG1 3.44Å; G174-T221 VanDerWaalsContact CA-OG1 3.23Å; G174-T221 WeakPolarHBondContact CA-OG1 3.32Å; G174-T221 PolarHBondContact N-OG1 3.35Å; I194-T221 HydrophobicContact CD1-CG2 3.44Å; I194-T221 VanDerWaalsContact CD1-CG2 3.44Å; I194-T221 HydrophobicContact CG1-CG2 3.67Å; I213-T221 HydrophobicContact CD1-CG2 4.04Å; D219-T221 PolarHBondContact O-N 3.33Å; D219-T221 WeakPolarHBondContact OD1-CB 3.13Å; D219-T221 PolarHBondContact OD1-N 2.78Å; D219-T221 VanDerWaalsContact OD1-N 3.12Å; D219-T221 PolarHBondContact OD1-OG1 3.35Å | ||
| 222 | R | 97.6 | Very high | 96.6 | Very high | 156 Ų | 156 | 48.8 Ų | 48.8 | 59% | 0.589 | 24% | 0.237 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 138.9 | 172.5 | -64.7 | 179.3 | 176.7 | 176 | -2.7 | 110.4 | K192 N193 I194 P220 K251 | K192-R222 PolarHBondContact O-N 2.99Å; N193-R222 CarbonylContact C-O 3.59Å; N193-R222 WeakPolarHBondContact CA-O 3.32Å; I194-R222 PolarHBondContact N-O 3.47Å; P220-R222 PolarHBondContact O-N 2.94Å; R222-K251 CarbonylContact C-O 3.56Å; R222-K251 WeakPolarHBondContact CA-O 3.47Å |
| 223 | V | 98.7 | Very high | 96.3 | Very high | 1 Ų | 1 | 51.8 Ų | 51.8 | 1% | 0.006 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 128.4 | -174.5 | -175.3 | 0 | 0 | 0 | 0 | 110.1 | I194 M196 I210 I213 M214 K251 F252 H253 | I194-V223 HydrophobicContact CB-CG2 4.35Å; I194-V223 HydrophobicContact CD1-CG2 4.43Å; I194-V223 CarbonylContact O-C 3.57Å; I194-V223 WeakPolarHBondContact O-CA 3.28Å; M196-V223 HydrophobicContact CE-CG1 3.5Å; M196-V223 VanDerWaalsContact CE-CG1 3.5Å; M196-V223 HydrophobicContact CE-CG2 4.47Å; M196-V223 HydrophobicContact CG-CG1 4.19Å; M196-V223 HydrophobicContact SD-CG1 3.74Å; I210-V223 HydrophobicContact CG1-CG1 4.06Å; I213-V223 HydrophobicContact CD1-CG2 3.56Å; M214-V223 HydrophobicContact CE-CB 4.34Å; M214-V223 HydrophobicContact CE-CG2 4.02Å; V223-K251 PolarHBondContact N-O 3.34Å; V223-F252 HydrophobicContact CB-CD2 4.04Å; V223-F252 HydrophobicContact CG1-CD2 4.03Å; V223-F252 HydrophobicContact CG1-CE2 4.25Å; V223-F252 WeakPolarHBondContact O-CA 3.35Å; V223-H253 PolarHBondContact O-N 2.91Å |
| 224 | S | 98.7 | Very high | 95.8 | Very high | 26 Ų | 26 | 52.6 Ų | 52.6 | 18% | 0.182 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 131.9 | 168.2 | -60.2 | 0 | 0 | 0 | 0 | 110 | I194 G195 M196 H253 H280 L281 | I194-S224 PolarHBondContact O-N 3.29Å; G195-S224 CarbonylContact C-O 3.52Å; G195-S224 WeakPolarHBondContact CA-O 3.32Å; M196-S224 PolarHBondContact N-O 2.87Å; S224-H253 CarbonylContact C-O 3.52Å; S224-H253 WeakPolarHBondContact CA-O 3.41Å; S224-H280 WeakPolarHBondContact CB-O 3.36Å; S224-H280 PolarHBondContact OG-O 2.73Å; S224-L281 WeakPolarHBondContact O-CD2 3.44Å |
| 225 | L | 98.9 | Very high | 95.7 | Very high | 1 Ų | 1 | 53.2 Ų | 53.2 | 1% | 0.005 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 126.4 | -178.4 | 170.6 | 65.6 | 0 | 0 | 0 | 110.6 | M196 A198 I203 I210 F227 L241 F252 H253 V254 W255 | M196-L225 HydrophobicContact CB-CB 4.3Å; M196-L225 HydrophobicContact CB-CD1 3.62Å; M196-L225 WeakPolarHBondContact O-CA 3.3Å; A198-L225 HydrophobicContact CB-CD1 3.95Å; I203-L225 HydrophobicContact CD1-CD1 4.36Å; I203-L225 HydrophobicContact CD1-CD2 3.57Å; I210-L225 HydrophobicContact CD1-CD2 4.15Å; L225-F227 HydrophobicContact CD1-CB 4.47Å; L225-F227 HydrophobicContact CD2-CB 4.31Å; L225-F227 HydrophobicContact CG-CB 4.22Å; L225-L241 HydrophobicContact CD2-CD1 4.32Å; L225-L241 HydrophobicContact CD2-CD2 4.04Å; L225-F252 HydrophobicContact CB-CE2 4.05Å; L225-F252 HydrophobicContact CD2-CZ 4.37Å; L225-H253 PolarHBondContact N-O 2.72Å; L225-V254 HydrophobicContact CB-CG2 4.34Å; L225-V254 HydrophobicContact CD2-CG2 3.84Å; L225-V254 HydrophobicContact CG-CG2 4.15Å; L225-V254 CarbonylContact O-C 3.59Å; L225-V254 WeakPolarHBondContact O-CA 3.48Å; L225-W255 PolarHBondContact O-N 3.41Å |
| 226 | I | 98.9 | Very high | 95.5 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 121.3 | 157.6 | -65.2 | 173.7 | 0 | 0 | 0 | 107.7 | M196 I197 A198 W255 T257 V272 M276 I277 H280 L281 | M196-I226 PolarHBondContact O-N 3.24Å; I197-I226 WeakPolarHBondContact CA-O 3.28Å; A198-I226 PolarHBondContact N-O 2.74Å; I226-W255 CarbonylContact C-O 3.55Å; I226-W255 VanDerWaalsContact CA-O 3.3Å; I226-W255 WeakPolarHBondContact CA-O 3.39Å; I226-T257 HydrophobicContact CG2-CG2 4.4Å; I226-V272 HydrophobicContact CG2-CG2 3.89Å; I226-M276 HydrophobicContact CD1-CB 4.29Å; I226-I277 HydrophobicContact CD1-CG1 4.16Å; I226-H280 HydrophobicContact CD1-CB 4.12Å; I226-H280 HydrophobicContact CG1-CB 3.99Å; I226-L281 HydrophobicContact CD1-CD1 4.04Å; I226-L281 HydrophobicContact CD1-CD2 4.17Å; I226-L281 HydrophobicContact CD1-CG 3.73Å; I226-L281 HydrophobicContact CG1-CD2 3.91Å; I226-L281 HydrophobicContact CG1-CG 4.06Å |
| 227 | F | 98.7 | Very high | 95.5 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 113 | 178.2 | -170.6 | -158.1 | 0 | 0 | 0 | 111.7 | A198 G200 I203 L225 N229 I235 L236 L241 W255 Y256 T257 | A198-F227 HydrophobicContact CB-CD2 3.61Å; A198-F227 HydrophobicContact CB-CE2 4.09Å; A198-F227 HydrophobicContact CB-CG 4.43Å; G200-F227 WeakPolarHBondContact O-CE2 3.35Å; G200-F227 WeakPolarHBondContact O-CZ 3.4Å; I203-F227 HydrophobicContact CB-CD2 4.39Å; I203-F227 HydrophobicContact CB-CE1 4.07Å; I203-F227 HydrophobicContact CB-CE2 3.71Å; I203-F227 HydrophobicContact CB-CZ 3.52Å; I203-F227 HydrophobicContact CD1-CD1 4.12Å; I203-F227 HydrophobicContact CD1-CD2 4.34Å; I203-F227 HydrophobicContact CD1-CE1 4.23Å; I203-F227 HydrophobicContact CD1-CE2 4.45Å; I203-F227 HydrophobicContact CD1-CG 4.2Å; I203-F227 HydrophobicContact CD1-CZ 4.4Å; I203-F227 HydrophobicContact CG1-CD1 4.36Å; I203-F227 HydrophobicContact CG1-CE1 3.96Å; I203-F227 HydrophobicContact CG1-CE2 4.35Å; I203-F227 HydrophobicContact CG1-CZ 3.96Å; I203-F227 HydrophobicContact CG2-CE1 4.4Å; I203-F227 HydrophobicContact CG2-CE2 4.33Å; I203-F227 HydrophobicContact CG2-CZ 3.77Å; L225-F227 HydrophobicContact CD1-CB 4.47Å; L225-F227 HydrophobicContact CD2-CB 4.31Å; L225-F227 HydrophobicContact CG-CB 4.22Å; F227-N229 WeakPolarHBondContact CD2-OD1 3.38Å; F227-N229 WeakPolarHBondContact CE2-OD1 3.06Å; F227-N229 WeakPolarHBondContact CZ-OD1 3.45Å; F227-I235 HydrophobicContact CD1-CG2 3.88Å; F227-I235 HydrophobicContact CE1-CG2 3.69Å; F227-L236 WeakPolarHBondContact CE1-O 3.46Å; F227-L236 HydrophobicContact CZ-CB 4.33Å; F227-L241 HydrophobicContact CD1-CD1 3.88Å; F227-L241 HydrophobicContact CE1-CD1 4.19Å; F227-W255 PolarHBondContact N-O 3.49Å; F227-Y256 HydrophobicContact CB-CD1 4.05Å; F227-Y256 HydrophobicContact CB-CE1 4.38Å; F227-Y256 HydrophobicContact CD1-CD1 4.15Å; F227-Y256 HydrophobicContact CD1-CE1 4.01Å; F227-Y256 WeakPolarHBondContact O-CA 3.24Å; F227-T257 PolarHBondContact O-N 3.24Å |
| 228 | A | 98.4 | Very high | 95.5 | Very high | 16 Ų | 16 | 41.6 Ų | 41.6 | 13% | 0.132 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 126.9 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | A198 G199 G200 T257 V272 M300 | A198-A228 PolarHBondContact O-N 2.9Å; G199-A228 WeakPolarHBondContact CA-O 3.49Å; G200-A228 PolarHBondContact N-O 3.21Å; A228-T257 WeakPolarHBondContact CA-O 3.31Å; A228-T257 HydrophobicContact CB-CG2 3.63Å; A228-V272 HydrophobicContact CB-CG2 3.97Å; A228-M300 HydrophobicContact CB-SD 4.26Å |
| 229 | N | 96.4 | Very high | 95.5 | Very high | 11 Ų | 11 | 39.9 Ų | 39.9 | 6% | 0.059 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 166.7 | 177.1 | -64.8 | 82.2 | 0 | 0 | 0 | 110.1 | F227 D234 I235 T257 V258 D259 | F227-N229 WeakPolarHBondContact CD2-OD1 3.38Å; F227-N229 WeakPolarHBondContact CE2-OD1 3.06Å; F227-N229 WeakPolarHBondContact CZ-OD1 3.45Å; N229-D234 HydrophobicContact CB-CB 4.17Å; N229-D234 PolarHBondContact ND2-O 2.9Å; N229-I235 HydrophobicContact CB-CG1 4.05Å; N229-T257 PolarHBondContact N-O 2.96Å; N229-V258 VanDerWaalsContact O-CA 3.25Å; N229-V258 WeakPolarHBondContact O-CA 3.32Å; N229-D259 PolarHBondContact O-N 3.36Å |
| 230 | K | 92.8 | Very high | 95.4 | Very high | 105 Ų | 105 | 42.3 Ų | 42.3 | 46% | 0.457 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | -50.8 | 176 | -175.4 | -170.4 | 167.5 | -159.3 | 0 | 110.9 | D259 Q260 | K230-D259 WeakPolarHBondContact O-CB 3.22Å; K230-D259 PolarHBondContact O-N 2.76Å; K230-Q260 PolarHBondContact O-N 2.85Å |
| 231 | D | 91.9 | Very high | 95.5 | Very high | 31 Ų | 31 | 37.8 Ų | 37.8 | 17% | 0.166 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 159.5 | -175.5 | -55 | -58 | 0 | 0 | 0 | 109.5 | S233 D234 Q260 | D231-S233 PolarHBondContact O-N 3.4Å; D231-D234 WeakPolarHBondContact O-CB 3.32Å; D231-D234 PolarHBondContact O-N 2.83Å; D231-Q260 VanDerWaalsContact OD1-CB 3.26Å; D231-Q260 WeakPolarHBondContact OD1-CB 3.28Å; D231-Q260 VanDerWaalsContact OD1-CD 3.24Å; D231-Q260 WeakPolarHBondContact OD1-CG 3.48Å; D231-Q260 PolarHBondContact OD1-OE1 3.37Å |
| 232 | E | 92.8 | Very high | 95.5 | Very high | 45 Ų | 45 | 40.2 Ų | 40.2 | 21% | 0.21 | 20% | 0.201 | C | C | . | . | G | 310 helix | trans | -58.9 | -34 | 177.1 | -177.9 | -177.8 | -155.1 | 0 | 0 | 112.7 | D234 I235 R238 K262 W265 | E232-D234 PolarHBondContact O-N 3.41Å; E232-I235 HydrophobicContact CG-CD1 4.35Å; E232-I235 WeakPolarHBondContact O-CG1 3.32Å; E232-I235 PolarHBondContact O-N 2.55Å; E232-R238 VanDerWaalsContact CG-NH1 3.34Å; E232-R238 IonicContact OE1-CZ 3.33Å; E232-R238 IonicContact OE1-NH1 3.6Å; E232-R238 PolarHBondContact OE1-NH1 3.22Å; E232-R238 IonicContact OE1-NH2 3.21Å; E232-K262 IonicContact OE2-NZ 3.1Å; E232-K262 PolarHBondContact OE2-NZ 3.3Å; E232-W265 HydrophobicContact CB-CZ3 4.31Å; E232-W265 HydrophobicContact CG-CE3 4.26Å; E232-W265 HydrophobicContact CG-CZ3 3.85Å |
| 233 | S | 89.8 | Confident | 95.6 | Very high | 78 Ų | 78 | 38 Ų | 38 | 55% | 0.545 | 19% | 0.193 | S | C | . | . | G | 310 helix | trans | -70.6 | -11.4 | 176.8 | 54 | 0 | 0 | 0 | 0 | 114 | D231 | D231-S233 PolarHBondContact O-N 3.4Š|
| 234 | D | 89.6 | Confident | 95.5 | Very high | 17 Ų | 17 | 38.6 Ų | 38.6 | 9% | 0.091 | 20% | 0.195 | C | C | . | . | G | 310 helix | trans | -91.7 | -3.4 | 177.3 | -84.8 | -6 | 0 | 0 | 0 | 112.7 | H74 K130 N229 D231 E232 L236 | H74-D234 IonicContact CE1-OD1 2.8Å; K130-D234 IonicContact NZ-OD1 3.69Å; K130-D234 PolarHBondContact NZ-OD1 3.46Å; K130-D234 IonicContact NZ-OD2 3.79Å; K130-D234 PolarHBondContact NZ-OD2 2.81Å; K130-D234 VanDerWaalsContact NZ-OD2 3.1Å; N229-D234 HydrophobicContact CB-CB 4.17Å; N229-D234 PolarHBondContact ND2-O 2.9Å; D231-D234 WeakPolarHBondContact O-CB 3.32Å; D231-D234 PolarHBondContact O-N 2.83Å; E232-D234 PolarHBondContact O-N 3.41Å; D234-L236 PolarHBondContact O-N 3.04Å |
| 235 | I | 94 | Very high | 95.5 | Very high | 17 Ų | 17 | 38.2 Ų | 38.2 | 9% | 0.087 | 19% | 0.194 | C | C | . | . | trans | -72.5 | 97.6 | -179.5 | -56.2 | 174.7 | 0 | 0 | 0 | 109.3 | F227 N229 E232 R238 Y256 V258 W265 | F227-I235 HydrophobicContact CD1-CG2 3.88Å; F227-I235 HydrophobicContact CE1-CG2 3.69Å; N229-I235 HydrophobicContact CB-CG1 4.05Å; E232-I235 HydrophobicContact CG-CD1 4.35Å; E232-I235 WeakPolarHBondContact O-CG1 3.32Å; E232-I235 PolarHBondContact O-N 2.55Å; I235-R238 HydrophobicContact CB-CB 4.33Å; I235-R238 HydrophobicContact CG2-CB 3.72Å; I235-R238 HydrophobicContact CG2-CG 4.12Å; I235-Y256 HydrophobicContact CD1-CD1 4.17Å; I235-Y256 HydrophobicContact CD1-CG 4.43Å; I235-Y256 HydrophobicContact CG2-CD1 4.06Å; I235-Y256 HydrophobicContact CG2-CE1 3.84Å; I235-V258 HydrophobicContact CD1-CG1 4.34Å; I235-W265 HydrophobicContact CD1-CH2 3.64Å; I235-W265 HydrophobicContact CD1-CZ3 4.11Å | ||
| 236 | L | 92.7 | Very high | 95.5 | Very high | 12 Ų | 12 | 42 Ų | 42 | 6% | 0.063 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | 135 | 174.8 | -71.5 | 155.5 | 0 | 0 | 0 | 110.5 | T76 M128 I203 F227 D234 R238 | T76-L236 HydrophobicContact CG2-CD2 3.27Å; T76-L236 VanDerWaalsContact OG1-CD2 3.31Å; T76-L236 WeakPolarHBondContact OG1-CD2 3.32Å; M128-L236 HydrophobicContact CG-CD2 4.14Å; I203-L236 HydrophobicContact CG2-CB 3.98Å; I203-L236 HydrophobicContact CG2-CD1 4.47Å; F227-L236 WeakPolarHBondContact CE1-O 3.46Å; F227-L236 HydrophobicContact CZ-CB 4.33Å; D234-L236 PolarHBondContact O-N 3.04Å; L236-R238 PolarHBondContact O-N 3.34Å |
| 237 | L | 94 | Very high | 95.4 | Very high | 30 Ų | 30 | 47.6 Ų | 47.6 | 16% | 0.157 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 62 | 26 | 171.7 | -53.6 | 158.1 | 0 | 0 | 0 | 113.4 | I116 M128 I203 L207 D239 E240 L241 | I116-L237 HydrophobicContact CD1-CD2 4.42Å; I116-L237 HydrophobicContact CG2-CD1 4.13Å; M128-L237 HydrophobicContact CE-CD2 3.61Å; M128-L237 HydrophobicContact CG-CD1 4.47Å; M128-L237 HydrophobicContact CG-CD2 4.35Å; M128-L237 HydrophobicContact CG-CG 4.42Å; I203-L237 HydrophobicContact CG2-CD1 4.12Å; L207-L237 HydrophobicContact CD2-CD1 3.62Å; L207-L237 HydrophobicContact CD2-CD2 4.42Å; L207-L237 HydrophobicContact CD2-CG 4.42Å; L237-D239 PolarHBondContact O-N 3.12Å; L237-E240 HydrophobicContact CB-CB 4.3Å; L237-E240 WeakPolarHBondContact O-CB 3.27Å; L237-E240 PolarHBondContact O-N 3.46Å; L237-L241 WeakPolarHBondContact O-CG 3.46Å; L237-L241 PolarHBondContact O-N 3.22Å |
| 238 | R | 95.2 | Very high | 95.4 | Very high | 60 Ų | 60 | 50.1 Ų | 50.1 | 23% | 0.226 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -54.4 | -52.8 | -179.8 | -174.8 | 174.1 | 176.7 | 175.8 | -0.3 | 112.8 | E232 I235 L236 E240 L241 D242 | E232-R238 VanDerWaalsContact CG-NH1 3.34Å; E232-R238 IonicContact OE1-CZ 3.33Å; E232-R238 IonicContact OE1-NH1 3.6Å; E232-R238 PolarHBondContact OE1-NH1 3.22Å; E232-R238 IonicContact OE1-NH2 3.21Å; I235-R238 HydrophobicContact CB-CB 4.33Å; I235-R238 HydrophobicContact CG2-CB 3.72Å; I235-R238 HydrophobicContact CG2-CG 4.12Å; L236-R238 PolarHBondContact O-N 3.34Å; R238-E240 PolarHBondContact O-N 3.44Å; R238-L241 PolarHBondContact O-N 2.76Å; R238-D242 WeakPolarHBondContact CG-OD2 3.34Å; R238-D242 IonicContact NE-OD2 2.83Å; R238-D242 PolarHBondContact NE-OD2 3.49Å; R238-D242 WeakPolarHBondContact O-CB 3.47Å; R238-D242 PolarHBondContact O-N 3.37Å |
| 239 | D | 94.9 | Very high | 95.3 | Very high | 134 Ų | 134 | 53.9 Ų | 53.9 | 72% | 0.717 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -59.5 | -33 | -178.2 | -60.1 | -10.6 | 0 | 0 | 0 | 112.2 | L237 R243 | L237-D239 PolarHBondContact O-N 3.12Å; D239-R243 VanDerWaalsContact O-CB 3.22Å; D239-R243 WeakPolarHBondContact O-CB 3.28Å; D239-R243 PolarHBondContact O-N 2.92Å; D239-R243 VanDerWaalsContact O-N 3.09Å |
| 240 | E | 95.9 | Very high | 95.2 | Very high | 52 Ų | 52 | 61.7 Ų | 61.7 | 24% | 0.243 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -68.3 | -48.1 | 175.1 | -176.2 | 64.3 | -161 | 0 | 0 | 111.3 | L207 L237 R238 R243 L244 | L207-E240 HydrophobicContact CD1-CG 4.03Å; L207-E240 HydrophobicContact CD2-CG 4.45Å; L237-E240 HydrophobicContact CB-CB 4.3Å; L237-E240 WeakPolarHBondContact O-CB 3.27Å; L237-E240 PolarHBondContact O-N 3.46Å; R238-E240 PolarHBondContact O-N 3.44Å; E240-R243 PolarHBondContact O-N 2.81Å; E240-R243 IonicContact OE1-CZ 3.78Å; E240-R243 IonicContact OE1-NH2 3.44Å; E240-R243 PolarHBondContact OE1-NH2 2.85Å; E240-R243 IonicContact OE2-CZ 2.69Å; E240-R243 IonicContact OE2-NH1 3.72Å; E240-R243 PolarHBondContact OE2-NH1 3.08Å; E240-R243 IonicContact OE2-NH2 2.75Å; E240-R243 PolarHBondContact OE2-NH2 2.93Å; E240-L244 HydrophobicContact CG-CD1 4.13Å; E240-L244 WeakPolarHBondContact O-CB 3.18Å; E240-L244 VanDerWaalsContact O-CG 3.3Å; E240-L244 WeakPolarHBondContact O-CG 3.33Å; E240-L244 PolarHBondContact O-N 2.99Å |
| 241 | L | 98.4 | Very high | 95.4 | Very high | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -64.8 | -45 | 179.9 | -65.7 | 169.5 | 0 | 0 | 0 | 111.5 | I203 L207 I210 L225 F227 L237 R238 R243 L244 A245 F252 Y256 | I203-L241 HydrophobicContact CD1-CD1 3.91Å; I203-L241 HydrophobicContact CD1-CD2 4.19Å; I203-L241 HydrophobicContact CG1-CD1 4.13Å; L207-L241 HydrophobicContact CD1-CD2 4.38Å; I210-L241 HydrophobicContact CD1-CD2 4.27Å; L225-L241 HydrophobicContact CD2-CD1 4.32Å; L225-L241 HydrophobicContact CD2-CD2 4.04Å; F227-L241 HydrophobicContact CD1-CD1 3.88Å; F227-L241 HydrophobicContact CE1-CD1 4.19Å; L237-L241 WeakPolarHBondContact O-CG 3.46Å; L237-L241 PolarHBondContact O-N 3.22Å; R238-L241 PolarHBondContact O-N 2.76Å; L241-R243 VanDerWaalsContact C-N 3.33Å; L241-R243 PolarHBondContact O-N 3.01Å; L241-L244 PolarHBondContact O-N 3.47Å; L241-A245 WeakPolarHBondContact O-CB 3.3Å; L241-A245 PolarHBondContact O-N 3.42Å; L241-F252 HydrophobicContact CD2-CE1 4.47Å; L241-F252 HydrophobicContact CD2-CZ 4.07Å; L241-F252 WeakPolarHBondContact O-CE1 3.46Å; L241-Y256 WeakPolarHBondContact CB-OH 3.45Å; L241-Y256 HydrophobicContact CD1-CE1 4.29Å |
| 242 | D | 98.1 | Very high | 95.7 | Very high | 53 Ų | 53 | 57.4 Ų | 57.4 | 28% | 0.283 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -64 | -40.2 | 179.1 | -72.1 | -10.8 | 0 | 0 | 0 | 110.7 | R238 A245 A246 Y256 | R238-D242 WeakPolarHBondContact CG-OD2 3.34Å; R238-D242 IonicContact NE-OD2 2.83Å; R238-D242 PolarHBondContact NE-OD2 3.49Å; R238-D242 WeakPolarHBondContact O-CB 3.47Å; R238-D242 PolarHBondContact O-N 3.37Å; D242-A245 PolarHBondContact O-N 3.43Å; D242-A246 WeakPolarHBondContact O-CB 3.5Å; D242-A246 PolarHBondContact O-N 3.48Å; D242-Y256 WeakPolarHBondContact OD1-CE2 3.32Å; D242-Y256 PolarHBondContact OD1-OH 3.3Å |
| 243 | R | 98.2 | Very high | 96 | Very high | 110 Ų | 110 | 59 Ų | 59 | 42% | 0.415 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -62.9 | -49.3 | 174.4 | -172.1 | -179 | 75.5 | -113.1 | 1.6 | 111.7 | D239 E240 L241 A245 A246 E247 | D239-R243 VanDerWaalsContact O-CB 3.22Å; D239-R243 WeakPolarHBondContact O-CB 3.28Å; D239-R243 PolarHBondContact O-N 2.92Å; D239-R243 VanDerWaalsContact O-N 3.09Å; E240-R243 PolarHBondContact O-N 2.81Å; E240-R243 IonicContact OE1-CZ 3.78Å; E240-R243 IonicContact OE1-NH2 3.44Å; E240-R243 PolarHBondContact OE1-NH2 2.85Å; E240-R243 IonicContact OE2-CZ 2.69Å; E240-R243 IonicContact OE2-NH1 3.72Å; E240-R243 PolarHBondContact OE2-NH1 3.08Å; E240-R243 IonicContact OE2-NH2 2.75Å; E240-R243 PolarHBondContact OE2-NH2 2.93Å; L241-R243 VanDerWaalsContact C-N 3.33Å; L241-R243 PolarHBondContact O-N 3.01Å; R243-A245 VanDerWaalsContact C-N 3.28Å; R243-A245 PolarHBondContact O-N 3.37Å; R243-A246 PolarHBondContact O-N 2.9Å; R243-E247 WeakPolarHBondContact CD-OE1 3.33Å; R243-E247 HydrophobicContact CG-CG 4.34Å; R243-E247 VanDerWaalsContact CG-OE1 3.25Å; R243-E247 WeakPolarHBondContact CG-OE1 3.43Å; R243-E247 IonicContact NE-OE1 2.75Å; R243-E247 WeakPolarHBondContact O-CB 3.35Å; R243-E247 WeakPolarHBondContact O-CG 3.22Å; R243-E247 PolarHBondContact O-N 2.87Å |
| 244 | L | 98.2 | Very high | 96.4 | Very high | 12 Ų | 12 | 55.9 Ų | 55.9 | 6% | 0.063 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -61.1 | -38.5 | 178.5 | -72.1 | 168.4 | 0 | 0 | 0 | 111.7 | L207 I210 M214 E240 L241 A246 E247 H248 F252 | L207-L244 HydrophobicContact CD1-CD1 4.04Å; I210-L244 HydrophobicContact CG2-CD1 4Å; M214-L244 HydrophobicContact CB-CD2 4.22Å; M214-L244 HydrophobicContact CG-CD2 4.44Å; E240-L244 HydrophobicContact CG-CD1 4.13Å; E240-L244 WeakPolarHBondContact O-CB 3.18Å; E240-L244 VanDerWaalsContact O-CG 3.3Å; E240-L244 WeakPolarHBondContact O-CG 3.33Å; E240-L244 PolarHBondContact O-N 2.99Å; L241-L244 PolarHBondContact O-N 3.47Å; L244-A246 VanDerWaalsContact C-N 3.35Å; L244-E247 PolarHBondContact O-N 3.18Å; L244-H248 WeakPolarHBondContact O-CB 3.41Å; L244-H248 PolarHBondContact O-CD2 2.89Å; L244-H248 PolarHBondContact O-N 3.19Å; L244-F252 HydrophobicContact CB-CD1 3.82Å; L244-F252 HydrophobicContact CB-CE1 3.89Å |
| 245 | A | 98.3 | Very high | 96.9 | Very high | 19 Ų | 19 | 57.2 Ų | 57.2 | 16% | 0.157 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -68.2 | -35.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | L241 D242 R243 S249 F252 V254 | L241-A245 WeakPolarHBondContact O-CB 3.3Å; L241-A245 PolarHBondContact O-N 3.42Å; D242-A245 PolarHBondContact O-N 3.43Å; R243-A245 VanDerWaalsContact C-N 3.28Å; R243-A245 PolarHBondContact O-N 3.37Å; A245-S249 WeakPolarHBondContact O-CA 3.49Å; A245-S249 PolarHBondContact O-N 2.94Å; A245-F252 HydrophobicContact CB-CD1 3.9Å; A245-F252 HydrophobicContact CB-CE1 4.07Å; A245-V254 HydrophobicContact CB-CG1 3.86Å |
| 246 | A | 98.2 | Very high | 97.1 | Very high | 79 Ų | 79 | 56.4 Ų | 56.4 | 65% | 0.653 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -70.4 | -43.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | D242 R243 L244 | D242-A246 WeakPolarHBondContact O-CB 3.5Å; D242-A246 PolarHBondContact O-N 3.48Å; R243-A246 PolarHBondContact O-N 2.9Å; L244-A246 VanDerWaalsContact C-N 3.35Å |
| 247 | E | 97.8 | Very high | 97.4 | Very high | 119 Ų | 119 | 55.9 Ų | 55.9 | 56% | 0.556 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -71.6 | -28.4 | -179.2 | -72.1 | 174.9 | -175.1 | 0 | 0 | 113 | R243 L244 | R243-E247 WeakPolarHBondContact CD-OE1 3.33Å; R243-E247 HydrophobicContact CG-CG 4.34Å; R243-E247 VanDerWaalsContact CG-OE1 3.25Å; R243-E247 WeakPolarHBondContact CG-OE1 3.43Å; R243-E247 IonicContact NE-OE1 2.75Å; R243-E247 WeakPolarHBondContact O-CB 3.35Å; R243-E247 WeakPolarHBondContact O-CG 3.22Å; R243-E247 PolarHBondContact O-N 2.87Å; L244-E247 PolarHBondContact O-N 3.18Å |
| 248 | H | 97.6 | Very high | 97.6 | Very high | 53 Ų | 53 | 54.5 Ų | 54.5 | 25% | 0.245 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -127.8 | 41.3 | -174.8 | -57.2 | -74.3 | 0 | 0 | 0 | 113 | M214 L244 E250 K251 F252 | M214-H248 HydrophobicContact CG-CB 4.43Å; M214-H248 PolarHBondContact O-CE1 2.89Å; M214-H248 HydrophobicContact SD-CB 3.55Å; M214-H248 VanDerWaalsContact SD-CB 3.55Å; L244-H248 WeakPolarHBondContact O-CB 3.41Å; L244-H248 PolarHBondContact O-CD2 2.89Å; L244-H248 PolarHBondContact O-N 3.19Å; H248-E250 PolarHBondContact O-N 3.44Å; H248-K251 CarbonylContact O-C 3.59Å; H248-K251 PolarHBondContact O-N 3.26Å; H248-F252 HydrophobicContact CB-CB 4.37Å; H248-F252 PolarHBondContact O-N 3.44Å |
| 249 | S | 96.1 | Very high | 97.6 | Very high | 95 Ų | 95 | 55 Ų | 55 | 66% | 0.664 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | -24.8 | -171.7 | 59.2 | 0 | 0 | 0 | 0 | 115.9 | A245 | A245-S249 WeakPolarHBondContact O-CA 3.49Å; A245-S249 PolarHBondContact O-N 2.94Å |
| 250 | E | 95.5 | Very high | 97.4 | Very high | 174 Ų | 174 | 54.1 Ų | 54.1 | 81% | 0.813 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80 | -24.1 | 174.7 | -62.5 | -173.1 | 174.5 | 0 | 0 | 113.9 | H248 | H248-E250 PolarHBondContact O-N 3.44Š|
| 251 | K | 96.6 | Very high | 97.3 | Very high | 42 Ų | 42 | 53.8 Ų | 53.8 | 18% | 0.183 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -111 | -24.5 | -175.2 | -60.7 | -159.5 | -52.9 | 179 | 0 | 113.6 | M214 N216 D219 R222 V223 H248 | M214-K251 HydrophobicContact CE-CB 4.25Å; M214-K251 HydrophobicContact SD-CB 4.19Å; N216-K251 PolarHBondContact O-NZ 3.08Å; D219-K251 PolarHBondContact O-NZ 2.83Å; R222-K251 CarbonylContact C-O 3.56Å; R222-K251 WeakPolarHBondContact CA-O 3.47Å; V223-K251 PolarHBondContact N-O 3.34Å; H248-K251 CarbonylContact O-C 3.59Å; H248-K251 PolarHBondContact O-N 3.26Å |
| 252 | F | 98.6 | Very high | 97 | Very high | 4 Ų | 4 | 59.2 Ų | 59.2 | 2% | 0.018 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 122.4 | -175.4 | -176.6 | -136.3 | 0 | 0 | 0 | 112.3 | I210 M214 V223 L225 L241 L244 A245 H248 V254 | I210-F252 HydrophobicContact CD1-CE2 3.72Å; I210-F252 HydrophobicContact CD1-CZ 3.8Å; I210-F252 HydrophobicContact CG1-CE2 4.08Å; I210-F252 HydrophobicContact CG1-CZ 4.45Å; I210-F252 HydrophobicContact CG2-CD1 4.25Å; I210-F252 HydrophobicContact CG2-CD2 4.32Å; I210-F252 HydrophobicContact CG2-CE1 4.13Å; I210-F252 HydrophobicContact CG2-CE2 4.2Å; I210-F252 HydrophobicContact CG2-CG 4.37Å; I210-F252 HydrophobicContact CG2-CZ 4.11Å; M214-F252 HydrophobicContact CE-CB 3.71Å; M214-F252 HydrophobicContact CE-CG 4.33Å; M214-F252 HydrophobicContact SD-CB 3.99Å; V223-F252 HydrophobicContact CB-CD2 4.04Å; V223-F252 HydrophobicContact CG1-CD2 4.03Å; V223-F252 HydrophobicContact CG1-CE2 4.25Å; V223-F252 WeakPolarHBondContact O-CA 3.35Å; L225-F252 HydrophobicContact CB-CE2 4.05Å; L225-F252 HydrophobicContact CD2-CZ 4.37Å; L241-F252 HydrophobicContact CD2-CE1 4.47Å; L241-F252 HydrophobicContact CD2-CZ 4.07Å; L241-F252 WeakPolarHBondContact O-CE1 3.46Å; L244-F252 HydrophobicContact CB-CD1 3.82Å; L244-F252 HydrophobicContact CB-CE1 3.89Å; A245-F252 HydrophobicContact CB-CD1 3.9Å; A245-F252 HydrophobicContact CB-CE1 4.07Å; H248-F252 HydrophobicContact CB-CB 4.37Å; H248-F252 PolarHBondContact O-N 3.44Å; F252-V254 HydrophobicContact CE1-CB 4.45Å; F252-V254 HydrophobicContact CE2-CB 4.46Å; F252-V254 HydrophobicContact CZ-CB 3.95Å |
| 253 | H | 98.5 | Very high | 96.8 | Very high | 80 Ų | 80 | 63.6 Ų | 63.6 | 37% | 0.37 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 134.6 | 171.3 | -177.5 | 67.3 | 0 | 0 | 0 | 110.2 | V223 S224 L225 H280 | V223-H253 PolarHBondContact O-N 2.91Å; S224-H253 CarbonylContact C-O 3.52Å; S224-H253 WeakPolarHBondContact CA-O 3.41Å; L225-H253 PolarHBondContact N-O 2.72Å; H253-H280 AromaticContact NE2-ND1 3.68Å |
| 254 | V | 98.8 | Very high | 96.6 | Very high | 11 Ų | 11 | 62.7 Ų | 62.7 | 7% | 0.067 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 133.8 | 172.5 | 62.3 | 0 | 0 | 0 | 0 | 110.1 | L225 A245 F252 Y256 | L225-V254 HydrophobicContact CB-CG2 4.34Å; L225-V254 HydrophobicContact CD2-CG2 3.84Å; L225-V254 HydrophobicContact CG-CG2 4.15Å; L225-V254 CarbonylContact O-C 3.59Å; L225-V254 WeakPolarHBondContact O-CA 3.48Å; A245-V254 HydrophobicContact CB-CG1 3.86Å; F252-V254 HydrophobicContact CE1-CB 4.45Å; F252-V254 HydrophobicContact CE2-CB 4.46Å; F252-V254 HydrophobicContact CZ-CB 3.95Å; V254-Y256 HydrophobicContact CG1-CE2 4.11Å; V254-Y256 HydrophobicContact CG2-CD1 4.34Å; V254-Y256 HydrophobicContact CG2-CE1 3.73Å; V254-Y256 HydrophobicContact CG2-CE2 4.09Å |
| 255 | W | 98.7 | Very high | 96.5 | Very high | 45 Ų | 45 | 63.4 Ų | 63.4 | 17% | 0.17 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 131.9 | 174.3 | -168.2 | -99.7 | 0 | 0 | 0 | 109.7 | L225 I226 F227 Y267 S268 H280 | L225-W255 PolarHBondContact O-N 3.41Å; I226-W255 CarbonylContact C-O 3.55Å; I226-W255 VanDerWaalsContact CA-O 3.3Å; I226-W255 WeakPolarHBondContact CA-O 3.39Å; F227-W255 PolarHBondContact N-O 3.49Å; W255-Y267 AromaticContact CD2-CD1 3.86Å; W255-Y267 HydrophobicContact CD2-CD1 3.86Å; W255-Y267 AromaticContact CE3-CD1 3.71Å; W255-Y267 HydrophobicContact CE3-CD1 3.71Å; W255-Y267 HydrophobicContact CE3-CE1 4.19Å; W255-Y267 HydrophobicContact CH2-CD1 4.09Å; W255-Y267 HydrophobicContact CZ2-CD1 4.24Å; W255-Y267 AromaticContact CZ3-CD1 3.83Å; W255-Y267 HydrophobicContact CZ3-CD1 3.83Å; W255-Y267 HydrophobicContact CZ3-CE1 4.3Å; W255-S268 PolarHBondContact NE1-OG 3.11Å; W255-H280 HydrophobicContact CB-CB 4.05Å; W255-H280 AromaticContact CD1-CD2 3.49Å; W255-H280 VanDerWaalsContact CD1-CD2 3.49Å; W255-H280 AromaticContact CD1-CE1 3.96Å; W255-H280 AromaticContact CD1-CG 3.78Å; W255-H280 AromaticContact CD1-NE2 3.64Å; W255-H280 AromaticContact CD2-CD2 3.94Å; W255-H280 AromaticContact CD2-CE1 3.08Å; W255-H280 AromaticContact CD2-CG 3.9Å; W255-H280 AromaticContact CD2-ND1 3.37Å; W255-H280 AromaticContact CD2-NE2 3.47Å; W255-H280 AromaticContact CE2-CD2 3.91Å; W255-H280 AromaticContact CE2-CE1 3.24Å; W255-H280 AromaticContact CE2-ND1 3.97Å; W255-H280 AromaticContact CE2-NE2 3.19Å; W255-H280 AromaticContact CE3-CE1 3.3Å; W255-H280 AromaticContact CE3-ND1 3.58Å; W255-H280 HydrophobicContact CG-CB 4.27Å; W255-H280 AromaticContact CG-CD2 3.69Å; W255-H280 AromaticContact CG-CE1 3.6Å; W255-H280 AromaticContact CG-CG 3.54Å; W255-H280 AromaticContact CG-ND1 3.48Å; W255-H280 AromaticContact CG-NE2 3.76Å; W255-H280 AromaticContact CH2-CE1 3.82Å; W255-H280 AromaticContact CZ2-CE1 3.62Å; W255-H280 AromaticContact CZ2-NE2 3.64Å; W255-H280 AromaticContact CZ3-CE1 3.67Å; W255-H280 AromaticContact NE1-CD2 3.6Å; W255-H280 AromaticContact NE1-CE1 3.76Å; W255-H280 AromaticContact NE1-NE2 3.29Å; W255-H280 PolarHBondContact NE1-NE2 2.85Å |
| 256 | Y | 98.7 | Very high | 96.4 | Very high | 0 Ų | 0 | 68.7 Ų | 68.7 | 0% | 0 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 151.5 | -176.7 | -58.5 | -77.4 | 0 | 0 | 0 | 111.5 | F227 I235 L241 D242 V254 W265 Y267 S268 | F227-Y256 HydrophobicContact CB-CD1 4.05Å; F227-Y256 HydrophobicContact CB-CE1 4.38Å; F227-Y256 HydrophobicContact CD1-CD1 4.15Å; F227-Y256 HydrophobicContact CD1-CE1 4.01Å; F227-Y256 WeakPolarHBondContact O-CA 3.24Å; I235-Y256 HydrophobicContact CD1-CD1 4.17Å; I235-Y256 HydrophobicContact CD1-CG 4.43Å; I235-Y256 HydrophobicContact CG2-CD1 4.06Å; I235-Y256 HydrophobicContact CG2-CE1 3.84Å; L241-Y256 WeakPolarHBondContact CB-OH 3.45Å; L241-Y256 HydrophobicContact CD1-CE1 4.29Å; D242-Y256 WeakPolarHBondContact OD1-CE2 3.32Å; D242-Y256 PolarHBondContact OD1-OH 3.3Å; V254-Y256 HydrophobicContact CG1-CE2 4.11Å; V254-Y256 HydrophobicContact CG2-CD1 4.34Å; V254-Y256 HydrophobicContact CG2-CE1 3.73Å; V254-Y256 HydrophobicContact CG2-CE2 4.09Å; Y256-W265 VanDerWaalsContact CB-CH2 3.49Å; Y256-W265 HydrophobicContact CG-CH2 4.21Å; Y256-Y267 HydrophobicContact CD2-CD1 4.09Å; Y256-Y267 HydrophobicContact CD2-CD2 4Å; Y256-Y267 AromaticContact CD2-CE1 3.78Å; Y256-Y267 HydrophobicContact CD2-CE1 3.78Å; Y256-Y267 AromaticContact CD2-CE2 3.7Å; Y256-Y267 HydrophobicContact CD2-CE2 3.7Å; Y256-Y267 HydrophobicContact CD2-CG 4.19Å; Y256-Y267 AromaticContact CD2-CZ 3.58Å; Y256-Y267 HydrophobicContact CE2-CE1 4.41Å; Y256-Y267 HydrophobicContact CE2-CE2 4.4Å; Y256-Y267 WeakPolarHBondContact O-CB 3.23Å; Y256-S268 PolarHBondContact O-N 3.01Å |
| 257 | T | 98.5 | Very high | 96.4 | Very high | 1 Ų | 1 | 67.4 Ų | 67.4 | 1% | 0.006 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 140.3 | 164.6 | -165.2 | 0 | 0 | 0 | 0 | 111.8 | I226 F227 A228 N229 S268 G270 V272 M276 | I226-T257 HydrophobicContact CG2-CG2 4.4Å; F227-T257 PolarHBondContact O-N 3.24Å; A228-T257 WeakPolarHBondContact CA-O 3.31Å; A228-T257 HydrophobicContact CB-CG2 3.63Å; N229-T257 PolarHBondContact N-O 2.96Å; T257-S268 VanDerWaalsContact CA-O 3.27Å; T257-S268 WeakPolarHBondContact CA-O 3.41Å; T257-S268 VanDerWaalsContact OG1-C 3.29Å; T257-S268 WeakPolarHBondContact OG1-CB 3.44Å; T257-S268 PolarHBondContact OG1-O 3.4Å; T257-S268 VanDerWaalsContact OG1-O 3.11Å; T257-G270 PolarHBondContact OG1-O 3.43Å; T257-G270 VanDerWaalsContact OG1-O 3.09Å; T257-V272 HydrophobicContact CG2-CG2 4.17Å; T257-M276 HydrophobicContact CG2-SD 4.43Å |
| 258 | V | 97.9 | Very high | 96.4 | Very high | 1 Ų | 1 | 62.9 Ų | 62.9 | 1% | 0.006 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 147.2 | -179.8 | -61.8 | 0 | 0 | 0 | 0 | 111.5 | N229 I235 A261 W265 S268 T269 G270 | N229-V258 VanDerWaalsContact O-CA 3.25Å; N229-V258 WeakPolarHBondContact O-CA 3.32Å; I235-V258 HydrophobicContact CD1-CG1 4.34Å; V258-A261 HydrophobicContact CG2-CB 3.98Å; V258-W265 HydrophobicContact CB-CZ2 4.45Å; V258-W265 HydrophobicContact CG1-CH2 3.99Å; V258-W265 HydrophobicContact CG1-CZ2 3.74Å; V258-W265 HydrophobicContact CG2-CD2 4.07Å; V258-W265 HydrophobicContact CG2-CG 4.29Å; V258-W265 HydrophobicContact CG2-CZ2 4.03Å; V258-S268 PolarHBondContact N-O 3.15Å; V258-T269 CarbonylContact O-C 3.52Å; V258-T269 VanDerWaalsContact O-CA 3.25Å; V258-T269 WeakPolarHBondContact O-CA 3.21Å; V258-T269 VanDerWaalsContact O-CG2 3.32Å; V258-T269 WeakPolarHBondContact O-CG2 3.36Å; V258-G270 PolarHBondContact O-N 3.44Å |
| 259 | D | 95.3 | Very high | 96.4 | Very high | 71 Ų | 71 | 64 Ų | 64 | 38% | 0.38 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | -40.2 | 173.7 | -62.9 | -26 | 0 | 0 | 0 | 111.3 | N229 K230 | N229-D259 PolarHBondContact O-N 3.36Å; K230-D259 WeakPolarHBondContact O-CB 3.22Å; K230-D259 PolarHBondContact O-N 2.76Å |
| 260 | Q | 92.4 | Very high | 96.5 | Very high | 116 Ų | 116 | 60.6 Ų | 60.6 | 54% | 0.542 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 97.9 | -179.2 | -45.1 | -177.5 | 24.1 | 0 | 0 | 110.5 | K230 D231 | K230-Q260 PolarHBondContact O-N 2.85Å; D231-Q260 VanDerWaalsContact OD1-CB 3.26Å; D231-Q260 WeakPolarHBondContact OD1-CB 3.28Å; D231-Q260 VanDerWaalsContact OD1-CD 3.24Å; D231-Q260 WeakPolarHBondContact OD1-CG 3.48Å; D231-Q260 PolarHBondContact OD1-OE1 3.37Å |
| 261 | A | 92.3 | Very high | 96.5 | Very high | 45 Ų | 45 | 59.4 Ų | 59.4 | 37% | 0.372 | 32% | 0.318 | S | S | . | . | trans | -84.1 | 136.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | V258 W265 T269 | V258-A261 HydrophobicContact CG2-CB 3.98Å; A261-W265 HydrophobicContact CB-CB 3.85Å; A261-W265 HydrophobicContact CB-CG 3.89Å; A261-T269 HydrophobicContact CB-CG2 3.86Å; A261-T269 VanDerWaalsContact CB-OG1 3.3Å; A261-T269 WeakPolarHBondContact CB-OG1 3.41Å | ||
| 262 | K | 93.2 | Very high | 96.6 | Very high | 114 Ų | 114 | 57.6 Ų | 57.6 | 50% | 0.496 | 31% | 0.311 | S | S | . | . | trans | -76.6 | 159.2 | 164.8 | -65.3 | 177.5 | -167.2 | 151.5 | 0 | 109.8 | E232 S264 W265 | E232-K262 IonicContact OE2-NZ 3.1Å; E232-K262 PolarHBondContact OE2-NZ 3.3Å; K262-S264 PolarHBondContact O-N 3.36Å; K262-W265 WeakPolarHBondContact O-CB 3.2Å; K262-W265 PolarHBondContact O-N 2.89Å | ||
| 263 | P | 92.6 | Very high | 96.6 | Very high | 145 Ų | 145 | 60.4 Ų | 60.4 | 94% | 0.942 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56 | -26.7 | 178.2 | -28.1 | 35.9 | 0 | 0 | 0 | 115.3 | W265 | P263-W265 VanDerWaalsContact C-N 3.32Š|
| 264 | S | 94.7 | Very high | 96.6 | Very high | 91 Ų | 91 | 57 Ų | 57 | 64% | 0.636 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.2 | 1.4 | 177.5 | 60.1 | 0 | 0 | 0 | 0 | 114.2 | K262 I266 | K262-S264 PolarHBondContact O-N 3.36Å; S264-I266 PolarHBondContact O-N 2.66Å |
| 265 | W | 96.6 | Very high | 96.6 | Very high | 27 Ų | 27 | 63.2 Ų | 63.2 | 10% | 0.102 | 34% | 0.34 | C | S | . | . | trans | -72.6 | 125 | -178.2 | -174.2 | -110 | 0 | 0 | 0 | 110.8 | E232 I235 Y256 V258 A261 K262 P263 Y267 S268 | E232-W265 HydrophobicContact CB-CZ3 4.31Å; E232-W265 HydrophobicContact CG-CE3 4.26Å; E232-W265 HydrophobicContact CG-CZ3 3.85Å; I235-W265 HydrophobicContact CD1-CH2 3.64Å; I235-W265 HydrophobicContact CD1-CZ3 4.11Å; Y256-W265 VanDerWaalsContact CB-CH2 3.49Å; Y256-W265 HydrophobicContact CG-CH2 4.21Å; V258-W265 HydrophobicContact CB-CZ2 4.45Å; V258-W265 HydrophobicContact CG1-CH2 3.99Å; V258-W265 HydrophobicContact CG1-CZ2 3.74Å; V258-W265 HydrophobicContact CG2-CD2 4.07Å; V258-W265 HydrophobicContact CG2-CG 4.29Å; V258-W265 HydrophobicContact CG2-CZ2 4.03Å; A261-W265 HydrophobicContact CB-CB 3.85Å; A261-W265 HydrophobicContact CB-CG 3.89Å; K262-W265 WeakPolarHBondContact O-CB 3.2Å; K262-W265 PolarHBondContact O-N 2.89Å; P263-W265 VanDerWaalsContact C-N 3.32Å; W265-Y267 VanDerWaalsContact CD1-O 3.23Å; W265-Y267 HydrophobicContact CD2-CD2 4.25Å; W265-Y267 AromaticContact CE2-CD2 3.97Å; W265-Y267 HydrophobicContact CE3-CD2 4.19Å; W265-Y267 AromaticContact CH2-CD2 3.6Å; W265-Y267 HydrophobicContact CH2-CD2 3.6Å; W265-Y267 HydrophobicContact CH2-CE2 4.32Å; W265-Y267 HydrophobicContact CH2-CG 4.36Å; W265-Y267 AromaticContact CZ2-CD2 3.68Å; W265-Y267 HydrophobicContact CZ2-CD2 3.68Å; W265-Y267 HydrophobicContact CZ2-CG 4.05Å; W265-Y267 AromaticContact CZ3-CD2 3.87Å; W265-Y267 HydrophobicContact CZ3-CD2 3.87Å; W265-Y267 HydrophobicContact CZ3-CE2 4.38Å; W265-Y267 VanDerWaalsContact NE1-C 3.34Å; W265-Y267 PolarHBondContact NE1-O 2.89Å; W265-S268 PolarHBondContact NE1-O 2.86Å | ||
| 266 | I | 96.3 | Very high | 96.6 | Very high | 129 Ų | 129 | 61.9 Ų | 61.9 | 66% | 0.662 | 34% | 0.336 | S | S | * | . | trans | -106 | -2.5 | -173.9 | 64.1 | 170.8 | 0 | 0 | 0 | 113.9 | S264 | S264-I266 PolarHBondContact O-N 2.66Š| ||
| 267 | Y | 98.1 | Very high | 96.5 | Very high | 53 Ų | 53 | 61.9 Ų | 61.9 | 21% | 0.208 | 34% | 0.336 | C | S | . | . | S | Bend | trans | -104.8 | -170.5 | -179.7 | -51.5 | -89.4 | 0 | 0 | 0 | 111.3 | W255 Y256 W265 | W255-Y267 AromaticContact CD2-CD1 3.86Å; W255-Y267 HydrophobicContact CD2-CD1 3.86Å; W255-Y267 AromaticContact CE3-CD1 3.71Å; W255-Y267 HydrophobicContact CE3-CD1 3.71Å; W255-Y267 HydrophobicContact CE3-CE1 4.19Å; W255-Y267 HydrophobicContact CH2-CD1 4.09Å; W255-Y267 HydrophobicContact CZ2-CD1 4.24Å; W255-Y267 AromaticContact CZ3-CD1 3.83Å; W255-Y267 HydrophobicContact CZ3-CD1 3.83Å; W255-Y267 HydrophobicContact CZ3-CE1 4.3Å; Y256-Y267 HydrophobicContact CD2-CD1 4.09Å; Y256-Y267 HydrophobicContact CD2-CD2 4Å; Y256-Y267 AromaticContact CD2-CE1 3.78Å; Y256-Y267 HydrophobicContact CD2-CE1 3.78Å; Y256-Y267 AromaticContact CD2-CE2 3.7Å; Y256-Y267 HydrophobicContact CD2-CE2 3.7Å; Y256-Y267 HydrophobicContact CD2-CG 4.19Å; Y256-Y267 AromaticContact CD2-CZ 3.58Å; Y256-Y267 HydrophobicContact CE2-CE1 4.41Å; Y256-Y267 HydrophobicContact CE2-CE2 4.4Å; Y256-Y267 WeakPolarHBondContact O-CB 3.23Å; W265-Y267 VanDerWaalsContact CD1-O 3.23Å; W265-Y267 HydrophobicContact CD2-CD2 4.25Å; W265-Y267 AromaticContact CE2-CD2 3.97Å; W265-Y267 HydrophobicContact CE3-CD2 4.19Å; W265-Y267 AromaticContact CH2-CD2 3.6Å; W265-Y267 HydrophobicContact CH2-CD2 3.6Å; W265-Y267 HydrophobicContact CH2-CE2 4.32Å; W265-Y267 HydrophobicContact CH2-CG 4.36Å; W265-Y267 AromaticContact CZ2-CD2 3.68Å; W265-Y267 HydrophobicContact CZ2-CD2 3.68Å; W265-Y267 HydrophobicContact CZ2-CG 4.05Å; W265-Y267 AromaticContact CZ3-CD2 3.87Å; W265-Y267 HydrophobicContact CZ3-CD2 3.87Å; W265-Y267 HydrophobicContact CZ3-CE2 4.38Å; W265-Y267 VanDerWaalsContact NE1-C 3.34Å; W265-Y267 PolarHBondContact NE1-O 2.89Å |
| 268 | S | 98 | Very high | 96.5 | Very high | 24 Ų | 24 | 68.5 Ų | 68.5 | 17% | 0.168 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.4 | 156.9 | -179.4 | -67.5 | 0 | 0 | 0 | 0 | 112.8 | W255 Y256 T257 V258 W265 | W255-S268 PolarHBondContact NE1-OG 3.11Å; Y256-S268 PolarHBondContact O-N 3.01Å; T257-S268 VanDerWaalsContact CA-O 3.27Å; T257-S268 WeakPolarHBondContact CA-O 3.41Å; T257-S268 VanDerWaalsContact OG1-C 3.29Å; T257-S268 WeakPolarHBondContact OG1-CB 3.44Å; T257-S268 PolarHBondContact OG1-O 3.4Å; T257-S268 VanDerWaalsContact OG1-O 3.11Å; V258-S268 PolarHBondContact N-O 3.15Å; W265-S268 PolarHBondContact NE1-O 2.86Å |
| 269 | T | 97.8 | Very high | 96.5 | Very high | 76 Ų | 76 | 75.3 Ų | 75.3 | 47% | 0.466 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 138.6 | 174.3 | -55.4 | 0 | 0 | 0 | 0 | 110 | V258 A261 | V258-T269 CarbonylContact O-C 3.52Å; V258-T269 VanDerWaalsContact O-CA 3.25Å; V258-T269 WeakPolarHBondContact O-CA 3.21Å; V258-T269 VanDerWaalsContact O-CG2 3.32Å; V258-T269 WeakPolarHBondContact O-CG2 3.36Å; A261-T269 HydrophobicContact CB-CG2 3.86Å; A261-T269 VanDerWaalsContact CB-OG1 3.3Å; A261-T269 WeakPolarHBondContact CB-OG1 3.41Å |
| 270 | G | 96.7 | Very high | 96.6 | Very high | 23 Ų | 23 | 72.7 Ų | 72.7 | 24% | 0.237 | 38% | 0.382 | C | S | . | . | S | Bend | trans | 102 | -166.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | T257 V258 | T257-G270 PolarHBondContact OG1-O 3.43Å; T257-G270 VanDerWaalsContact OG1-O 3.09Å; V258-G270 PolarHBondContact O-N 3.44Å |
| 271 | F | 96.9 | Very high | 96.9 | Very high | 149 Ų | 149 | 67.7 Ų | 67.7 | 65% | 0.654 | 36% | 0.359 | S | S | * | . | S | Bend | trans | -73.3 | 150.3 | 179.1 | -60.9 | -64.4 | 0 | 0 | 0 | 111.7 | D273 M276 A304 | F271-D273 PolarHBondContact O-N 3.28Å; F271-M276 VanDerWaalsContact O-CE 3.32Å; F271-M276 WeakPolarHBondContact O-CE 3.45Å; F271-A304 HydrophobicContact CB-CB 4.5Å |
| 272 | V | 98.4 | Very high | 97.1 | Very high | 5 Ų | 5 | 66.7 Ų | 66.7 | 3% | 0.03 | 35% | 0.349 | C | S | . | . | trans | -57.2 | 126.2 | 172.3 | -179.3 | 0 | 0 | 0 | 0 | 109.9 | I197 I226 A228 T257 I277 A304 | I197-V272 HydrophobicContact CD1-CG1 4.42Å; I197-V272 HydrophobicContact CG2-CG1 4.2Å; I197-V272 HydrophobicContact CG2-CG2 4.01Å; I226-V272 HydrophobicContact CG2-CG2 3.89Å; A228-V272 HydrophobicContact CB-CG2 3.97Å; T257-V272 HydrophobicContact CG2-CG2 4.17Å; V272-I277 HydrophobicContact CG1-CD1 3.96Å; V272-I277 HydrophobicContact CG1-CG1 3.82Å; V272-A304 VanDerWaalsContact O-CB 3.31Å; V272-A304 WeakPolarHBondContact O-CB 3.19Å | ||
| 273 | D | 98.2 | Very high | 97.1 | Very high | 62 Ų | 62 | 63.3 Ų | 63.3 | 33% | 0.332 | 35% | 0.346 | S | S | . | . | trans | -129.2 | -179.7 | 177.9 | 67.7 | 25 | 0 | 0 | 0 | 112.1 | F271 E275 M276 I277 S308 | F271-D273 PolarHBondContact O-N 3.28Å; D273-E275 VanDerWaalsContact C-N 3.31Å; D273-E275 PolarHBondContact O-N 2.82Å; D273-E275 PolarHBondContact OD1-N 3.45Å; D273-M276 PolarHBondContact O-N 2.86Å; D273-M276 WeakPolarHBondContact OD1-CG 3.34Å; D273-M276 PolarHBondContact OD1-N 3.47Å; D273-I277 VanDerWaalsContact O-CG1 3.32Å; D273-I277 WeakPolarHBondContact O-CG1 3.21Å; D273-I277 PolarHBondContact O-N 3.33Å; D273-S308 WeakPolarHBondContact CA-OG 3.31Å | ||
| 274 | A | 98.3 | Very high | 97 | Very high | 10 Ų | 10 | 59.1 Ų | 59.1 | 8% | 0.083 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -65.6 | -31.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q278 S308 K311 L312 | A274-Q278 VanDerWaalsContact O-CB 3.26Å; A274-Q278 WeakPolarHBondContact O-CB 3.39Å; A274-Q278 PolarHBondContact O-N 2.83Å; A274-S308 PolarHBondContact N-OG 3.33Å; A274-K311 HydrophobicContact CB-CD 3.89Å; A274-K311 HydrophobicContact CB-CG 4.48Å; A274-L312 HydrophobicContact CB-CD1 4.14Å; A274-L312 HydrophobicContact CB-CD2 4.26Å; A274-L312 HydrophobicContact CB-CG 4.02Å; A274-L312 WeakPolarHBondContact O-CD1 3.49Å |
| 275 | E | 98.4 | Very high | 95.7 | Very high | 141 Ų | 141 | 56.4 Ų | 56.4 | 66% | 0.659 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -69.1 | -46.1 | 178.8 | -174.9 | -178.5 | 160.2 | 0 | 0 | 110.3 | D273 I277 Q278 K279 | D273-E275 VanDerWaalsContact C-N 3.31Å; D273-E275 PolarHBondContact O-N 2.82Å; D273-E275 PolarHBondContact OD1-N 3.45Å; E275-I277 PolarHBondContact O-N 3.34Å; E275-Q278 PolarHBondContact O-N 2.9Å; E275-K279 WeakPolarHBondContact O-CB 3.39Å; E275-K279 PolarHBondContact O-N 3.44Å |
| 276 | M | 98.5 | Very high | 94.1 | Very high | 17 Ų | 17 | 59.6 Ų | 59.6 | 8% | 0.084 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -59.5 | -46.7 | 175.6 | -64.8 | -173.6 | -156 | 0 | 0 | 111.5 | I226 T257 F271 D273 K279 H280 | I226-M276 HydrophobicContact CD1-CB 4.29Å; T257-M276 HydrophobicContact CG2-SD 4.43Å; F271-M276 VanDerWaalsContact O-CE 3.32Å; F271-M276 WeakPolarHBondContact O-CE 3.45Å; D273-M276 PolarHBondContact O-N 2.86Å; D273-M276 WeakPolarHBondContact OD1-CG 3.34Å; D273-M276 PolarHBondContact OD1-N 3.47Å; M276-K279 PolarHBondContact O-N 3.45Å; M276-H280 WeakPolarHBondContact O-CB 3.47Å; M276-H280 PolarHBondContact O-CD2 3.05Å; M276-H280 PolarHBondContact O-N 2.86Å |
| 277 | I | 98.5 | Very high | 92.5 | Very high | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -61.3 | -48.1 | 178.4 | -70.2 | 173.1 | 0 | 0 | 0 | 110.7 | I197 I226 V272 D273 E275 K279 H280 L281 L309 L312 Y314 | I197-I277 HydrophobicContact CD1-CD1 3.77Å; I197-I277 HydrophobicContact CD1-CG1 4.08Å; I226-I277 HydrophobicContact CD1-CG1 4.16Å; V272-I277 HydrophobicContact CG1-CD1 3.96Å; V272-I277 HydrophobicContact CG1-CG1 3.82Å; D273-I277 VanDerWaalsContact O-CG1 3.32Å; D273-I277 WeakPolarHBondContact O-CG1 3.21Å; D273-I277 PolarHBondContact O-N 3.33Å; E275-I277 PolarHBondContact O-N 3.34Å; I277-K279 VanDerWaalsContact C-N 3.26Å; I277-K279 PolarHBondContact O-N 3.02Å; I277-H280 PolarHBondContact O-N 3.46Å; I277-L281 HydrophobicContact CG1-CD1 4.3Å; I277-L281 HydrophobicContact CG2-CB 4.28Å; I277-L281 HydrophobicContact CG2-CD1 4.13Å; I277-L281 HydrophobicContact CG2-CG 4.5Å; I277-L281 WeakPolarHBondContact O-CB 3.25Å; I277-L281 PolarHBondContact O-N 3.41Å; I277-L309 HydrophobicContact CD1-CD2 4.06Å; I277-L309 HydrophobicContact CD1-CG 4.18Å; I277-L309 HydrophobicContact CG2-CD2 4.12Å; I277-L312 HydrophobicContact CB-CD1 3.7Å; I277-L312 HydrophobicContact CG2-CD1 3.37Å; I277-Y314 HydrophobicContact CG2-CE2 3.79Å |
| 278 | Q | 97.5 | Very high | 90.9 | Very high | 140 Ų | 140 | 60.2 Ų | 60.2 | 65% | 0.654 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -61.6 | -35.6 | -179.4 | -177.4 | 175.2 | 53.6 | 0 | 0 | 112.5 | A274 E275 L312 | A274-Q278 VanDerWaalsContact O-CB 3.26Å; A274-Q278 WeakPolarHBondContact O-CB 3.39Å; A274-Q278 PolarHBondContact O-N 2.83Å; E275-Q278 PolarHBondContact O-N 2.9Å; Q278-L312 HydrophobicContact CB-CD1 4.27Å; Q278-L312 HydrophobicContact CB-CD2 4.05Å |
| 279 | K | 98 | Very high | 90.6 | Very high | 144 Ų | 144 | 61.4 Ų | 61.4 | 63% | 0.626 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -79.1 | -35.2 | -177.2 | -174 | 175 | 174.2 | -176 | 0 | 113.4 | E275 M276 I277 | E275-K279 WeakPolarHBondContact O-CB 3.39Å; E275-K279 PolarHBondContact O-N 3.44Å; M276-K279 PolarHBondContact O-N 3.45Å; I277-K279 VanDerWaalsContact C-N 3.26Å; I277-K279 PolarHBondContact O-N 3.02Å |
| 280 | H | 98.2 | Very high | 90.5 | Very high | 16 Ų | 16 | 58.2 Ų | 58.2 | 7% | 0.074 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -115.4 | -16.3 | -167.7 | -62.8 | -68.9 | 0 | 0 | 0 | 114.8 | S224 I226 H253 W255 M276 I277 | S224-H280 WeakPolarHBondContact CB-O 3.36Å; S224-H280 PolarHBondContact OG-O 2.73Å; I226-H280 HydrophobicContact CD1-CB 4.12Å; I226-H280 HydrophobicContact CG1-CB 3.99Å; H253-H280 AromaticContact NE2-ND1 3.68Å; W255-H280 HydrophobicContact CB-CB 4.05Å; W255-H280 AromaticContact CD1-CD2 3.49Å; W255-H280 VanDerWaalsContact CD1-CD2 3.49Å; W255-H280 AromaticContact CD1-CE1 3.96Å; W255-H280 AromaticContact CD1-CG 3.78Å; W255-H280 AromaticContact CD1-NE2 3.64Å; W255-H280 AromaticContact CD2-CD2 3.94Å; W255-H280 AromaticContact CD2-CE1 3.08Å; W255-H280 AromaticContact CD2-CG 3.9Å; W255-H280 AromaticContact CD2-ND1 3.37Å; W255-H280 AromaticContact CD2-NE2 3.47Å; W255-H280 AromaticContact CE2-CD2 3.91Å; W255-H280 AromaticContact CE2-CE1 3.24Å; W255-H280 AromaticContact CE2-ND1 3.97Å; W255-H280 AromaticContact CE2-NE2 3.19Å; W255-H280 AromaticContact CE3-CE1 3.3Å; W255-H280 AromaticContact CE3-ND1 3.58Å; W255-H280 HydrophobicContact CG-CB 4.27Å; W255-H280 AromaticContact CG-CD2 3.69Å; W255-H280 AromaticContact CG-CE1 3.6Å; W255-H280 AromaticContact CG-CG 3.54Å; W255-H280 AromaticContact CG-ND1 3.48Å; W255-H280 AromaticContact CG-NE2 3.76Å; W255-H280 AromaticContact CH2-CE1 3.82Å; W255-H280 AromaticContact CZ2-CE1 3.62Å; W255-H280 AromaticContact CZ2-NE2 3.64Å; W255-H280 AromaticContact CZ3-CE1 3.67Å; W255-H280 AromaticContact NE1-CD2 3.6Å; W255-H280 AromaticContact NE1-CE1 3.76Å; W255-H280 AromaticContact NE1-NE2 3.29Å; W255-H280 PolarHBondContact NE1-NE2 2.85Å; M276-H280 WeakPolarHBondContact O-CB 3.47Å; M276-H280 PolarHBondContact O-CD2 3.05Å; M276-H280 PolarHBondContact O-N 2.86Å; I277-H280 PolarHBondContact O-N 3.46Å |
| 281 | L | 97.8 | Very high | 90.5 | Very high | 10 Ų | 10 | 57.1 Ų | 57.1 | 5% | 0.052 | 32% | 0.317 | C | S | . | . | S | Bend | trans | -107.3 | 151.4 | 177 | -59.7 | -170.7 | 0 | 0 | 0 | 111.6 | I197 S224 I226 I277 G283 I292 | I197-L281 HydrophobicContact CD1-CD1 3.98Å; I197-L281 HydrophobicContact CG1-CD1 3.63Å; S224-L281 WeakPolarHBondContact O-CD2 3.44Å; I226-L281 HydrophobicContact CD1-CD1 4.04Å; I226-L281 HydrophobicContact CD1-CD2 4.17Å; I226-L281 HydrophobicContact CD1-CG 3.73Å; I226-L281 HydrophobicContact CG1-CD2 3.91Å; I226-L281 HydrophobicContact CG1-CG 4.06Å; I277-L281 HydrophobicContact CG1-CD1 4.3Å; I277-L281 HydrophobicContact CG2-CB 4.28Å; I277-L281 HydrophobicContact CG2-CD1 4.13Å; I277-L281 HydrophobicContact CG2-CG 4.5Å; I277-L281 WeakPolarHBondContact O-CB 3.25Å; I277-L281 PolarHBondContact O-N 3.41Å; L281-G283 PolarHBondContact O-N 3.29Å; L281-I292 HydrophobicContact CD1-CD1 4.35Å |
| 282 | P | 95.8 | Very high | 90.6 | Very high | 25 Ų | 25 | 50.1 Ų | 50.1 | 16% | 0.162 | 29% | 0.286 | C | S | . | . | trans | -59.1 | 133.8 | 171.7 | 25.3 | -35.6 | 0 | 0 | 0 | 110.3 | N193 T290 Y314 | N193-P282 HydrophobicContact CB-CB 3.76Å; N193-P282 HydrophobicContact CB-CG 3.89Å; P282-T290 HydrophobicContact CB-CG2 3.89Å; P282-T290 HydrophobicContact CG-CG2 3.58Å; P282-Y314 VanDerWaalsContact O-CE1 3.28Å; P282-Y314 WeakPolarHBondContact O-CE1 3.28Å; P282-Y314 PolarHBondContact O-OH 3.42Å | ||
| 283 | G | 93.8 | Very high | 90.6 | Very high | 42 Ų | 42 | 49.9 Ų | 49.9 | 43% | 0.433 | 29% | 0.285 | S | S | . | . | trans | -60 | 167.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | L281 G285 T290 Y314 | L281-G283 PolarHBondContact O-N 3.29Å; G283-G285 PolarHBondContact O-N 2.81Å; G283-T290 PolarHBondContact O-OG1 3.37Å; G283-T290 VanDerWaalsContact O-OG1 3.08Å; G283-Y314 WeakPolarHBondContact CA-OH 3.33Å | ||
| 284 | P | 90.1 | Very high | 90.6 | Very high | 58 Ų | 58 | 46.9 Ų | 46.9 | 38% | 0.377 | 27% | 0.269 | S | S | . | . | trans | -61.6 | 110.7 | 171.1 | 29.6 | -35.6 | 0 | 0 | 0 | 108.4 | Y314 | P284-Y314 HydrophobicContact CB-CD1 4.05Å; P284-Y314 HydrophobicContact CB-CE1 4.32Å; P284-Y314 HydrophobicContact CB-CG 4.26Å | ||
| 285 | G | 68.1 | Low | 90.6 | Very high | 33 Ų | 33 | 47.4 Ų | 47.4 | 34% | 0.34 | 27% | 0.271 | S | S | . | . | trans | -68.9 | 150.1 | -177.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | G283 | G283-G285 PolarHBondContact O-N 2.81Š| ||
| 286 | S | 63.8 | Low | 90.5 | Very high | 95 Ų | 95 | 41.9 Ų | 41.9 | 66% | 0.664 | 25% | 0.252 | S | S | * | . | G | 310 helix | trans | -64 | 138.4 | 151.2 | 50.3 | 0 | 0 | 0 | 0 | 108 | S288 | S286-S288 PolarHBondContact O-N 2.82Š|
| 287 | D | 62.4 | Low | 90.4 | Very high | 150 Ų | 150 | 44.3 Ų | 44.3 | 80% | 0.802 | 27% | 0.27 | S | S | * | . | G | 310 helix | trans | 65.4 | 28.3 | 174 | -52.7 | -34.7 | 0 | 0 | 0 | 117.8 | ||
| 288 | S | 64.9 | Low | 90.2 | Very high | 45 Ų | 45 | 49.4 Ų | 49.4 | 32% | 0.315 | 30% | 0.303 | S | S | . | . | G | 310 helix | trans | 67.2 | 34 | 171.4 | -34.1 | 0 | 0 | 0 | 0 | 114.2 | Y191 S286 T290 K317 | Y191-S288 WeakPolarHBondContact CD1-O 3.34Å; S286-S288 PolarHBondContact O-N 2.82Å; S288-T290 VanDerWaalsContact C-N 3.26Å; S288-T290 PolarHBondContact O-N 3.47Å; S288-K317 PolarHBondContact OG-NZ 3.02Å |
| 289 | D | 90 | Very high | 90.2 | Very high | 48 Ų | 48 | 46.3 Ų | 46.3 | 26% | 0.257 | 30% | 0.295 | S | S | . | . | trans | -73.2 | -15.4 | 176.5 | -91.7 | -14 | 0 | 0 | 0 | 114 | K192 N193 | K192-D289 WeakPolarHBondContact CD-OD1 3.28Å; K192-D289 VanDerWaalsContact CE-OD1 3.28Å; K192-D289 WeakPolarHBondContact CE-OD1 3.4Å; K192-D289 PolarHBondContact N-O 3.46Å; K192-D289 IonicContact NZ-OD1 2.83Å; K192-D289 PolarHBondContact NZ-OD1 2.96Å; K192-D289 IonicContact NZ-OD2 3.49Å; K192-D289 PolarHBondContact NZ-OD2 2.84Å; N193-D289 PolarHBondContact N-O 3.39Å | ||
| 290 | T | 95.8 | Very high | 90.2 | Very high | 10 Ų | 10 | 40.7 Ų | 40.7 | 6% | 0.061 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 132 | -173.3 | -58.3 | 0 | 0 | 0 | 0 | 111.4 | N193 P282 G283 S288 I292 | N193-T290 HydrophobicContact CB-CG2 4.47Å; N193-T290 WeakPolarHBondContact O-CA 3.15Å; P282-T290 HydrophobicContact CB-CG2 3.89Å; P282-T290 HydrophobicContact CG-CG2 3.58Å; G283-T290 PolarHBondContact O-OG1 3.37Å; G283-T290 VanDerWaalsContact O-OG1 3.08Å; S288-T290 VanDerWaalsContact C-N 3.26Å; S288-T290 PolarHBondContact O-N 3.47Å; T290-I292 HydrophobicContact CG2-CD1 4.16Å |
| 291 | V | 97.3 | Very high | 90.2 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 142.6 | 166.8 | 64.4 | 0 | 0 | 0 | 0 | 110.3 | F176 Y191 N193 I194 G195 L293 D318 L320 | F176-V291 HydrophobicContact CE2-CG1 4.03Å; F176-V291 HydrophobicContact CZ-CG1 4.31Å; Y191-V291 HydrophobicContact CD1-CB 3.72Å; Y191-V291 HydrophobicContact CD1-CG1 4.32Å; Y191-V291 HydrophobicContact CD2-CB 3.61Å; Y191-V291 HydrophobicContact CD2-CG1 3.63Å; Y191-V291 HydrophobicContact CD2-CG2 4.27Å; Y191-V291 HydrophobicContact CE1-CB 3.84Å; Y191-V291 HydrophobicContact CE1-CG2 4.47Å; Y191-V291 HydrophobicContact CE2-CB 3.7Å; Y191-V291 HydrophobicContact CE2-CG1 4.14Å; Y191-V291 HydrophobicContact CE2-CG2 3.91Å; Y191-V291 HydrophobicContact CG-CB 3.62Å; Y191-V291 HydrophobicContact CG-CG1 3.72Å; N193-V291 PolarHBondContact O-N 2.92Å; I194-V291 WeakPolarHBondContact CA-O 3.09Å; I194-V291 HydrophobicContact CB-CG1 4.27Å; I194-V291 HydrophobicContact CG1-CG1 3.79Å; I194-V291 HydrophobicContact CG2-CG1 4.17Å; G195-V291 PolarHBondContact N-O 3.3Å; V291-L293 HydrophobicContact CG1-CD2 4.24Å; V291-L293 HydrophobicContact CG2-CD2 3.89Å; V291-D318 CarbonylContact C-O 3.52Å; V291-D318 WeakPolarHBondContact CA-O 3.37Å; V291-D318 VanDerWaalsContact CG2-O 3.3Å; V291-D318 WeakPolarHBondContact CG2-O 3.39Å; V291-L320 HydrophobicContact CG2-CD1 3.84Å; V291-L320 HydrophobicContact CG2-CG 3.81Å |
| 292 | I | 98.1 | Very high | 90.2 | Very high | 1 Ų | 1 | 46.7 Ų | 46.7 | 1% | 0.005 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 117.1 | 171.8 | -56.6 | -58.8 | 0 | 0 | 0 | 109.8 | G195 I197 L281 T290 M294 L309 Y314 D318 R319 L320 | G195-I292 CarbonylContact O-C 3.56Å; G195-I292 VanDerWaalsContact O-CA 3.31Å; G195-I292 WeakPolarHBondContact O-CA 3.49Å; I197-I292 HydrophobicContact CD1-CG2 4.31Å; L281-I292 HydrophobicContact CD1-CD1 4.35Å; T290-I292 HydrophobicContact CG2-CD1 4.16Å; I292-M294 HydrophobicContact CG2-CG 3.98Å; I292-L309 HydrophobicContact CG1-CD2 4.06Å; I292-L309 HydrophobicContact CG2-CD1 3.91Å; I292-L309 HydrophobicContact CG2-CD2 4.1Å; I292-Y314 HydrophobicContact CD1-CD1 4.03Å; I292-Y314 HydrophobicContact CD1-CE1 3.68Å; I292-Y314 HydrophobicContact CG1-CD1 3.57Å; I292-Y314 HydrophobicContact CG1-CE1 3.79Å; I292-Y314 HydrophobicContact CG1-CG 4.29Å; I292-D318 PolarHBondContact N-O 2.98Å; I292-R319 CarbonylContact O-C 3.58Å; I292-R319 WeakPolarHBondContact O-CA 3.42Å; I292-L320 PolarHBondContact O-N 3.15Å |
| 293 | L | 98.7 | Very high | 90.3 | Very high | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 136.1 | 173.9 | -52 | -172.1 | 0 | 0 | 0 | 109.7 | F176 I194 G195 M196 I197 M206 I209 V291 L320 F322 | F176-L293 HydrophobicContact CE1-CD1 4.32Å; F176-L293 HydrophobicContact CE1-CD2 4.27Å; F176-L293 HydrophobicContact CZ-CD1 4.28Å; F176-L293 HydrophobicContact CZ-CD2 4.38Å; I194-L293 HydrophobicContact CG2-CD1 3.63Å; I194-L293 HydrophobicContact CG2-CG 3.7Å; G195-L293 PolarHBondContact O-N 2.96Å; M196-L293 CarbonylContact C-O 3.51Å; M196-L293 WeakPolarHBondContact CA-O 3.41Å; M196-L293 HydrophobicContact CE-CD1 3.92Å; M196-L293 HydrophobicContact CG-CB 4.21Å; M196-L293 HydrophobicContact CG-CD1 4.31Å; M196-L293 HydrophobicContact CG-CG 4.49Å; I197-L293 PolarHBondContact N-O 3.49Å; M206-L293 HydrophobicContact CE-CB 3.88Å; M206-L293 HydrophobicContact SD-CB 3.77Å; M206-L293 HydrophobicContact SD-CD1 4.31Å; I209-L293 HydrophobicContact CD1-CD1 3.53Å; V291-L293 HydrophobicContact CG1-CD2 4.24Å; V291-L293 HydrophobicContact CG2-CD2 3.89Å; L293-L320 CarbonylContact C-O 3.58Å; L293-L320 VanDerWaalsContact CA-O 3.31Å; L293-L320 WeakPolarHBondContact CA-O 3.28Å; L293-L320 HydrophobicContact CD2-CB 3.73Å; L293-L320 HydrophobicContact CD2-CD1 3.88Å; L293-L320 HydrophobicContact CD2-CG 4.16Å; L293-F322 HydrophobicContact CB-CE2 3.98Å; L293-F322 HydrophobicContact CD1-CE2 4.03Å; L293-F322 HydrophobicContact CD1-CZ 4.35Å; L293-F322 HydrophobicContact CD2-CE2 4.08Å; L293-F322 HydrophobicContact CG-CE2 4.24Å |
| 294 | M | 98.7 | Very high | 90.5 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 139.2 | 177.8 | -54.7 | 176.4 | -90.3 | 0 | 0 | 111.9 | I197 M206 I292 I301 C305 L309 R319 L320 I321 F322 | I197-M294 HydrophobicContact CB-CG 4.24Å; I197-M294 HydrophobicContact CD1-CG 4.41Å; I197-M294 WeakPolarHBondContact O-CA 3.18Å; M206-M294 VanDerWaalsContact CE-C 3.46Å; I292-M294 HydrophobicContact CG2-CG 3.98Å; M294-I301 HydrophobicContact CB-CD1 3.63Å; M294-C305 HydrophobicContact SD-CB 3.61Å; M294-L309 HydrophobicContact CE-CD1 3.77Å; M294-L309 HydrophobicContact SD-CD1 3.61Å; M294-R319 HydrophobicContact CE-CB 3.96Å; M294-R319 HydrophobicContact CE-CG 4.43Å; M294-L320 PolarHBondContact N-O 3.47Å; M294-I321 HydrophobicContact CB-CG1 4.4Å; M294-I321 HydrophobicContact CE-CD1 4.14Å; M294-I321 HydrophobicContact CE-CG1 3.79Å; M294-I321 WeakPolarHBondContact O-CA 3.49Å; M294-F322 PolarHBondContact O-N 3.11Å |
| 295 | C | 98.3 | Very high | 90.9 | Very high | 20 Ų | 20 | 48.3 Ų | 48.3 | 14% | 0.135 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.9 | 131.2 | 170.1 | -167.5 | 0 | 0 | 0 | 0 | 110.4 | I197 A198 G199 G202 P205 M206 F322 | I197-C295 PolarHBondContact O-N 3.4Å; I197-C295 VanDerWaalsContact O-N 3.08Å; A198-C295 CarbonylContact C-O 3.52Å; A198-C295 VanDerWaalsContact CA-O 3.31Å; A198-C295 WeakPolarHBondContact CA-O 3.39Å; G199-C295 PolarHBondContact N-O 3.46Å; G202-C295 WeakPolarHBondContact O-CB 3.42Å; P205-C295 HydrophobicContact CG-CB 3.87Å; M206-C295 HydrophobicContact CE-CB 3.61Å; C295-F322 HydrophobicContact CB-CB 4.07Å |
| 296 | G | 96.9 | Very high | 92.3 | Very high | 25 Ų | 25 | 49.4 Ų | 49.4 | 26% | 0.258 | 28% | 0.284 | S | S | . | . | S | Bend | trans | 165.3 | -168.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||
| 297 | P | 94.9 | Very high | 94 | Very high | 69 Ų | 69 | 47.7 Ų | 47.7 | 45% | 0.448 | 27% | 0.271 | S | S | . | . | trans | -55.8 | 135.1 | 179.5 | -25.8 | 35.1 | 0 | 0 | 0 | 111.6 | P299 M300 I301 | P297-P299 VanDerWaalsContact C-N 3.27Å; P297-P299 VanDerWaalsContact O-N 3.12Å; P297-M300 HydrophobicContact CB-CB 4.44Å; P297-M300 VanDerWaalsContact O-CB 3.29Å; P297-M300 WeakPolarHBondContact O-CB 3.46Å; P297-M300 PolarHBondContact O-N 2.96Å; P297-I301 PolarHBondContact O-N 3.33Å | ||
| 298 | P | 96.1 | Very high | 95.7 | Very high | 107 Ų | 107 | 41.2 Ų | 41.2 | 70% | 0.695 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -51.6 | -37 | 179.8 | -26.7 | 33 | 0 | 0 | 0 | 114.9 | M300 I301 K302 | P298-M300 PolarHBondContact O-N 3.47Å; P298-I301 PolarHBondContact O-N 2.96Å; P298-K302 VanDerWaalsContact O-CB 3.29Å; P298-K302 WeakPolarHBondContact O-CB 3.23Å; P298-K302 PolarHBondContact O-N 2.67Å |
| 299 | P | 95.9 | Very high | 97.3 | Very high | 75 Ų | 75 | 39.1 Ų | 39.1 | 49% | 0.487 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -61.3 | -38.9 | 173.7 | -25.7 | 36.6 | 0 | 0 | 0 | 114 | P297 K302 F303 | P297-P299 VanDerWaalsContact C-N 3.27Å; P297-P299 VanDerWaalsContact O-N 3.12Å; P299-K302 PolarHBondContact O-N 3.11Å; P299-F303 HydrophobicContact CB-CD2 4Å; P299-F303 HydrophobicContact CB-CE2 4.33Å; P299-F303 WeakPolarHBondContact O-CB 3.31Å; P299-F303 WeakPolarHBondContact O-CD2 3.21Å; P299-F303 PolarHBondContact O-N 2.94Å |
| 300 | M | 97.5 | Very high | 97.6 | Very high | 25 Ų | 25 | 41.1 Ų | 41.1 | 12% | 0.123 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -62.9 | -45.7 | 177.4 | -177 | -165.2 | 81.3 | 0 | 0 | 110.6 | I197 G199 A228 P297 P298 A304 C305 | I197-M300 HydrophobicContact CG2-CE 4.44Å; G199-M300 VanDerWaalsContact CA-SD 3.54Å; A228-M300 HydrophobicContact CB-SD 4.26Å; P297-M300 HydrophobicContact CB-CB 4.44Å; P297-M300 VanDerWaalsContact O-CB 3.29Å; P297-M300 WeakPolarHBondContact O-CB 3.46Å; P297-M300 PolarHBondContact O-N 2.96Å; P298-M300 PolarHBondContact O-N 3.47Å; M300-A304 VanDerWaalsContact O-CB 3.32Å; M300-A304 WeakPolarHBondContact O-CB 3.33Å; M300-A304 PolarHBondContact O-N 2.76Å; M300-A304 VanDerWaalsContact O-N 3.16Å; M300-C305 PolarHBondContact O-N 2.74Å; M300-C305 PolarHBondContact O-SG 2.9Å |
| 301 | I | 98.2 | Very high | 97.7 | Very high | 15 Ų | 15 | 48.9 Ų | 48.9 | 8% | 0.077 | 27% | 0.266 | C | S | . | . | I | π-helix | trans | -63.6 | -50 | 178.7 | -56.5 | -63.3 | 0 | 0 | 0 | 110.5 | M294 P297 P298 I306 I321 | M294-I301 HydrophobicContact CB-CD1 3.63Å; P297-I301 PolarHBondContact O-N 3.33Å; P298-I301 PolarHBondContact O-N 2.96Å; I301-I306 HydrophobicContact CG2-CD1 3.91Å; I301-I306 HydrophobicContact CG2-CG1 4.27Å; I301-I306 WeakPolarHBondContact O-CG1 3.3Å; I301-I306 PolarHBondContact O-N 3.04Å; I301-I321 HydrophobicContact CG2-CD1 3.98Å |
| 302 | K | 98.1 | Very high | 97.7 | Very high | 137 Ų | 137 | 50.7 Ų | 50.7 | 60% | 0.596 | 28% | 0.275 | S | S | * | . | I | π-helix | trans | -72 | -41.7 | -172.3 | -177.1 | 175.6 | 177.6 | 178 | 0 | 113.9 | P298 P299 P307 | P298-K302 VanDerWaalsContact O-CB 3.29Å; P298-K302 WeakPolarHBondContact O-CB 3.23Å; P298-K302 PolarHBondContact O-N 2.67Å; P299-K302 PolarHBondContact O-N 3.11Å; K302-P307 WeakPolarHBondContact O-CD 3.42Å |
| 303 | F | 97.9 | Very high | 97.5 | Very high | 147 Ų | 147 | 53 Ų | 53 | 65% | 0.645 | 30% | 0.299 | S | S | * | . | I | π-helix | trans | -105.2 | -18.8 | -168.9 | -58.7 | -63.5 | 0 | 0 | 0 | 114 | P299 | P299-F303 HydrophobicContact CB-CD2 4Å; P299-F303 HydrophobicContact CB-CE2 4.33Å; P299-F303 WeakPolarHBondContact O-CB 3.31Å; P299-F303 WeakPolarHBondContact O-CD2 3.21Å; P299-F303 PolarHBondContact O-N 2.94Å |
| 304 | A | 98.1 | Very high | 97.4 | Very high | 13 Ų | 13 | 53.5 Ų | 53.5 | 11% | 0.107 | 30% | 0.301 | C | S | . | . | I | π-helix | trans | -112.9 | -56.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | F271 V272 M300 S308 | F271-A304 HydrophobicContact CB-CB 4.5Å; V272-A304 VanDerWaalsContact O-CB 3.31Å; V272-A304 WeakPolarHBondContact O-CB 3.19Å; M300-A304 VanDerWaalsContact O-CB 3.32Å; M300-A304 WeakPolarHBondContact O-CB 3.33Å; M300-A304 PolarHBondContact O-N 2.76Å; M300-A304 VanDerWaalsContact O-N 3.16Å; A304-S308 VanDerWaalsContact O-CB 3.23Å; A304-S308 WeakPolarHBondContact O-CB 3.33Å; A304-S308 PolarHBondContact O-N 3.41Å; A304-S308 PolarHBondContact O-OG 3.41Å |
| 305 | C | 98.5 | Very high | 97.2 | Very high | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 32% | 0.316 | C | S | . | . | I | π-helix | trans | -71.1 | -57.3 | -171.1 | -53.6 | 0 | 0 | 0 | 0 | 112.5 | I197 M294 M300 S308 L309 | I197-C305 HydrophobicContact CD1-CB 4.26Å; M294-C305 HydrophobicContact SD-CB 3.61Å; M300-C305 PolarHBondContact O-N 2.74Å; M300-C305 PolarHBondContact O-SG 2.9Å; C305-S308 PolarHBondContact O-N 3.03Å; C305-L309 WeakPolarHBondContact O-CB 3.19Å; C305-L309 VanDerWaalsContact O-CG 3.28Å; C305-L309 WeakPolarHBondContact O-CG 3.43Å; C305-L309 PolarHBondContact O-N 3.04Å |
| 306 | I | 98.3 | Very high | 97 | Very high | 55 Ų | 55 | 62.7 Ų | 62.7 | 28% | 0.282 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -58.8 | -51.1 | -175.8 | -70.9 | 169.4 | 0 | 0 | 0 | 112 | I301 S308 L309 D310 | I301-I306 HydrophobicContact CG2-CD1 3.91Å; I301-I306 HydrophobicContact CG2-CG1 4.27Å; I301-I306 WeakPolarHBondContact O-CG1 3.3Å; I301-I306 PolarHBondContact O-N 3.04Å; I306-S308 VanDerWaalsContact C-N 3.28Å; I306-S308 PolarHBondContact O-N 3.01Å; I306-L309 PolarHBondContact O-N 3.37Å; I306-D310 VanDerWaalsContact O-CG 3.24Å; I306-D310 PolarHBondContact O-N 3.34Å |
| 307 | P | 98.4 | Very high | 96.8 | Very high | 60 Ų | 60 | 67 Ų | 67 | 39% | 0.39 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -60.1 | -36.3 | 178 | -25.5 | 36.2 | 0 | 0 | 0 | 113.4 | K302 D310 K311 | K302-P307 WeakPolarHBondContact O-CD 3.42Å; P307-D310 PolarHBondContact O-N 2.96Å; P307-K311 WeakPolarHBondContact O-CB 3.42Å; P307-K311 PolarHBondContact O-N 2.94Å |
| 308 | S | 98.5 | Very high | 96.7 | Very high | 14 Ų | 14 | 64.1 Ų | 64.1 | 10% | 0.098 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -70.3 | -39.4 | 178.1 | -59.9 | 0 | 0 | 0 | 0 | 111.9 | D273 A274 A304 C305 I306 K311 L312 | D273-S308 WeakPolarHBondContact CA-OG 3.31Å; A274-S308 PolarHBondContact N-OG 3.33Å; A304-S308 VanDerWaalsContact O-CB 3.23Å; A304-S308 WeakPolarHBondContact O-CB 3.33Å; A304-S308 PolarHBondContact O-N 3.41Å; A304-S308 PolarHBondContact O-OG 3.41Å; C305-S308 PolarHBondContact O-N 3.03Å; I306-S308 VanDerWaalsContact C-N 3.28Å; I306-S308 PolarHBondContact O-N 3.01Å; S308-K311 PolarHBondContact O-N 3.46Å; S308-L312 VanDerWaalsContact O-CG 3.31Å; S308-L312 WeakPolarHBondContact O-CG 3.33Å; S308-L312 PolarHBondContact O-N 3.49Å; S308-L312 VanDerWaalsContact O-N 3.15Å |
| 309 | L | 98 | Very high | 96.7 | Very high | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -67 | -37.8 | 174.7 | -69.6 | 171.9 | 0 | 0 | 0 | 111.9 | I277 I292 M294 C305 I306 L312 G313 Y314 R319 | I277-L309 HydrophobicContact CD1-CD2 4.06Å; I277-L309 HydrophobicContact CD1-CG 4.18Å; I277-L309 HydrophobicContact CG2-CD2 4.12Å; I292-L309 HydrophobicContact CG1-CD2 4.06Å; I292-L309 HydrophobicContact CG2-CD1 3.91Å; I292-L309 HydrophobicContact CG2-CD2 4.1Å; M294-L309 HydrophobicContact CE-CD1 3.77Å; M294-L309 HydrophobicContact SD-CD1 3.61Å; C305-L309 WeakPolarHBondContact O-CB 3.19Å; C305-L309 VanDerWaalsContact O-CG 3.28Å; C305-L309 WeakPolarHBondContact O-CG 3.43Å; C305-L309 PolarHBondContact O-N 3.04Å; I306-L309 PolarHBondContact O-N 3.37Å; L309-L312 PolarHBondContact O-N 3.03Å; L309-G313 PolarHBondContact O-N 2.68Å; L309-G313 VanDerWaalsContact O-N 3.08Å; L309-Y314 HydrophobicContact CB-CD2 4.22Å; L309-Y314 HydrophobicContact CD2-CD1 4.3Å; L309-Y314 HydrophobicContact CD2-CD2 3.45Å; L309-Y314 VanDerWaalsContact CD2-CD2 3.45Å; L309-Y314 HydrophobicContact CD2-CE2 3.81Å; L309-Y314 HydrophobicContact CD2-CG 3.71Å; L309-Y314 HydrophobicContact CG-CD2 4.45Å; L309-Y314 PolarHBondContact O-N 3.29Å; L309-R319 VanDerWaalsContact C-NH2 3.33Å; L309-R319 HydrophobicContact CD1-CG 4.38Å; L309-R319 PolarHBondContact O-NH2 3.39Å |
| 310 | D | 97.7 | Very high | 96.8 | Very high | 90 Ų | 90 | 57.6 Ų | 57.6 | 48% | 0.481 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -62.5 | -48.4 | 174.1 | -68.2 | -23.9 | 0 | 0 | 0 | 110.8 | I306 P307 L312 G313 R319 | I306-D310 VanDerWaalsContact O-CG 3.24Å; I306-D310 PolarHBondContact O-N 3.34Å; P307-D310 PolarHBondContact O-N 2.96Å; D310-L312 PolarHBondContact O-N 3.35Å; D310-G313 PolarHBondContact O-N 3.31Å; D310-R319 IonicContact OD1-CZ 2.79Å; D310-R319 IonicContact OD1-NH1 3.08Å; D310-R319 PolarHBondContact OD1-NH1 3.31Å; D310-R319 IonicContact OD1-NH2 3.2Å; D310-R319 PolarHBondContact OD1-NH2 3.44Å |
| 311 | K | 97.8 | Very high | 96.8 | Very high | 173 Ų | 173 | 60.7 Ų | 60.7 | 75% | 0.752 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -56.8 | -34.6 | 177.3 | -178.3 | 176.7 | 175.6 | -173.8 | 0 | 112.6 | A274 P307 S308 | A274-K311 HydrophobicContact CB-CD 3.89Å; A274-K311 HydrophobicContact CB-CG 4.48Å; P307-K311 WeakPolarHBondContact O-CB 3.42Å; P307-K311 PolarHBondContact O-N 2.94Å; S308-K311 PolarHBondContact O-N 3.46Å |
| 312 | L | 96.6 | Very high | 96.6 | Very high | 38 Ų | 38 | 63.4 Ų | 63.4 | 20% | 0.199 | 32% | 0.319 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.4 | -2.8 | 180 | -65.7 | 172.1 | 0 | 0 | 0 | 113.8 | A274 I277 Q278 S308 L309 D310 Y314 | A274-L312 HydrophobicContact CB-CD1 4.14Å; A274-L312 HydrophobicContact CB-CD2 4.26Å; A274-L312 HydrophobicContact CB-CG 4.02Å; A274-L312 WeakPolarHBondContact O-CD1 3.49Å; I277-L312 HydrophobicContact CB-CD1 3.7Å; I277-L312 HydrophobicContact CG2-CD1 3.37Å; Q278-L312 HydrophobicContact CB-CD1 4.27Å; Q278-L312 HydrophobicContact CB-CD2 4.05Å; S308-L312 VanDerWaalsContact O-CG 3.31Å; S308-L312 WeakPolarHBondContact O-CG 3.33Å; S308-L312 PolarHBondContact O-N 3.49Å; S308-L312 VanDerWaalsContact O-N 3.15Å; L309-L312 PolarHBondContact O-N 3.03Å; D310-L312 PolarHBondContact O-N 3.35Å; L312-Y314 HydrophobicContact CB-CD2 3.73Å; L312-Y314 HydrophobicContact CB-CE2 3.59Å; L312-Y314 HydrophobicContact CD1-CE2 3.84Å; L312-Y314 HydrophobicContact CG-CE2 4.41Å |
| 313 | G | 95.4 | Very high | 96.6 | Very high | 49 Ų | 49 | 59.7 Ų | 59.7 | 51% | 0.505 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 79 | 23.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | L309 D310 | L309-G313 PolarHBondContact O-N 2.68Å; L309-G313 VanDerWaalsContact O-N 3.08Å; D310-G313 PolarHBondContact O-N 3.31Å |
| 314 | Y | 95.5 | Very high | 96.5 | Very high | 11 Ų | 11 | 55.1 Ų | 55.1 | 4% | 0.043 | 29% | 0.287 | C | S | . | . | trans | -67.9 | 130.4 | 172.7 | -71.5 | -92.2 | 0 | 0 | 0 | 110.7 | I277 P282 G283 P284 I292 L309 L312 R319 | I277-Y314 HydrophobicContact CG2-CE2 3.79Å; P282-Y314 VanDerWaalsContact O-CE1 3.28Å; P282-Y314 WeakPolarHBondContact O-CE1 3.28Å; P282-Y314 PolarHBondContact O-OH 3.42Å; G283-Y314 WeakPolarHBondContact CA-OH 3.33Å; P284-Y314 HydrophobicContact CB-CD1 4.05Å; P284-Y314 HydrophobicContact CB-CE1 4.32Å; P284-Y314 HydrophobicContact CB-CG 4.26Å; I292-Y314 HydrophobicContact CD1-CD1 4.03Å; I292-Y314 HydrophobicContact CD1-CE1 3.68Å; I292-Y314 HydrophobicContact CG1-CD1 3.57Å; I292-Y314 HydrophobicContact CG1-CE1 3.79Å; I292-Y314 HydrophobicContact CG1-CG 4.29Å; L309-Y314 HydrophobicContact CB-CD2 4.22Å; L309-Y314 HydrophobicContact CD2-CD1 4.3Å; L309-Y314 HydrophobicContact CD2-CD2 3.45Å; L309-Y314 VanDerWaalsContact CD2-CD2 3.45Å; L309-Y314 HydrophobicContact CD2-CE2 3.81Å; L309-Y314 HydrophobicContact CD2-CG 3.71Å; L309-Y314 HydrophobicContact CG-CD2 4.45Å; L309-Y314 PolarHBondContact O-N 3.29Å; L312-Y314 HydrophobicContact CB-CD2 3.73Å; L312-Y314 HydrophobicContact CB-CE2 3.59Å; L312-Y314 HydrophobicContact CD1-CE2 3.84Å; L312-Y314 HydrophobicContact CG-CE2 4.41Å; Y314-R319 VanDerWaalsContact O-CZ 3.26Å; Y314-R319 PolarHBondContact O-NE 3.43Å; Y314-R319 PolarHBondContact O-NH2 3.22Å | ||
| 315 | P | 94 | Very high | 96.4 | Very high | 49 Ų | 49 | 57.4 Ų | 57.4 | 32% | 0.318 | 30% | 0.297 | S | S | . | . | trans | -67.6 | 138.4 | 178.9 | -21.2 | 33.6 | 0 | 0 | 0 | 112.3 | K317 D318 R319 | P315-K317 HydrophobicContact CB-CG 3.9Å; P315-K317 PolarHBondContact O-N 2.96Å; P315-D318 WeakPolarHBondContact CB-OD2 3.43Å; P315-D318 WeakPolarHBondContact CG-OD2 3.27Å; P315-D318 PolarHBondContact O-N 3.45Å; P315-D318 VanDerWaalsContact O-N 3.08Å; P315-R319 WeakPolarHBondContact O-CG 3.36Å | ||
| 316 | E | 94.2 | Very high | 96.3 | Very high | 165 Ų | 165 | 60.8 Ų | 60.8 | 77% | 0.771 | 32% | 0.315 | S | S | * | . | G | 310 helix | trans | -58.2 | -35.6 | 177.6 | -172.4 | 179.9 | 173.4 | 0 | 0 | 112.4 | D318 R319 | E316-D318 PolarHBondContact O-N 3.24Å; E316-R319 WeakPolarHBondContact O-CB 3.42Å; E316-R319 PolarHBondContact O-N 3.5Å; E316-R319 VanDerWaalsContact O-N 3.11Å |
| 317 | K | 92.6 | Very high | 96.1 | Very high | 115 Ų | 115 | 61.2 Ų | 61.2 | 50% | 0.5 | 32% | 0.317 | S | S | . | . | G | 310 helix | trans | -61 | -24.2 | 178.2 | 65.8 | 169.4 | -170.7 | 65.6 | 0 | 114.2 | S288 P315 | S288-K317 PolarHBondContact OG-NZ 3.02Å; P315-K317 HydrophobicContact CB-CG 3.9Å; P315-K317 PolarHBondContact O-N 2.96Å |
| 318 | D | 94.1 | Very high | 96 | Very high | 8 Ų | 8 | 61.3 Ų | 61.3 | 4% | 0.043 | 31% | 0.312 | C | S | . | . | G | 310 helix | trans | -103.8 | 19 | -177.8 | -54.2 | -40.3 | 0 | 0 | 0 | 111.1 | Y191 V291 I292 P315 E316 | Y191-D318 HydrophobicContact CE1-CB 4.34Å; Y191-D318 PolarHBondContact OH-OD1 2.99Å; V291-D318 CarbonylContact C-O 3.52Å; V291-D318 WeakPolarHBondContact CA-O 3.37Å; V291-D318 VanDerWaalsContact CG2-O 3.3Å; V291-D318 WeakPolarHBondContact CG2-O 3.39Å; I292-D318 PolarHBondContact N-O 2.98Å; P315-D318 WeakPolarHBondContact CB-OD2 3.43Å; P315-D318 WeakPolarHBondContact CG-OD2 3.27Å; P315-D318 PolarHBondContact O-N 3.45Å; P315-D318 VanDerWaalsContact O-N 3.08Å; E316-D318 PolarHBondContact O-N 3.24Å |
| 319 | R | 96 | Very high | 95.8 | Very high | 31 Ų | 31 | 64.6 Ų | 64.6 | 12% | 0.117 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 117.7 | 174.8 | -59.6 | 173.7 | -163.2 | -176.3 | -3.2 | 109.2 | I292 M294 L309 D310 Y314 P315 E316 | I292-R319 CarbonylContact O-C 3.58Å; I292-R319 WeakPolarHBondContact O-CA 3.42Å; M294-R319 HydrophobicContact CE-CB 3.96Å; M294-R319 HydrophobicContact CE-CG 4.43Å; L309-R319 VanDerWaalsContact C-NH2 3.33Å; L309-R319 HydrophobicContact CD1-CG 4.38Å; L309-R319 PolarHBondContact O-NH2 3.39Å; D310-R319 IonicContact OD1-CZ 2.79Å; D310-R319 IonicContact OD1-NH1 3.08Å; D310-R319 PolarHBondContact OD1-NH1 3.31Å; D310-R319 IonicContact OD1-NH2 3.2Å; D310-R319 PolarHBondContact OD1-NH2 3.44Å; Y314-R319 VanDerWaalsContact O-CZ 3.26Å; Y314-R319 PolarHBondContact O-NE 3.43Å; Y314-R319 PolarHBondContact O-NH2 3.22Å; P315-R319 WeakPolarHBondContact O-CG 3.36Å; E316-R319 WeakPolarHBondContact O-CB 3.42Å; E316-R319 PolarHBondContact O-N 3.5Å; E316-R319 VanDerWaalsContact O-N 3.11Å |
| 320 | L | 97.2 | Very high | 95.7 | Very high | 15 Ų | 15 | 69.6 Ų | 69.6 | 8% | 0.079 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 124.6 | 179.8 | -55.3 | -178 | 0 | 0 | 0 | 109.9 | I168 F176 V178 V291 I292 L293 M294 | I168-L320 HydrophobicContact CD1-CB 3.76Å; I168-L320 HydrophobicContact CG1-CB 4.43Å; I168-L320 HydrophobicContact CG1-CD1 4.47Å; I168-L320 HydrophobicContact CG2-CD1 4.15Å; F176-L320 HydrophobicContact CD1-CD1 4.23Å; V178-L320 HydrophobicContact CG1-CD2 3.98Å; V178-L320 HydrophobicContact CG2-CD1 3.82Å; V178-L320 HydrophobicContact CG2-CD2 4.11Å; V291-L320 HydrophobicContact CG2-CD1 3.84Å; V291-L320 HydrophobicContact CG2-CG 3.81Å; I292-L320 PolarHBondContact O-N 3.15Å; L293-L320 CarbonylContact C-O 3.58Å; L293-L320 VanDerWaalsContact CA-O 3.31Å; L293-L320 WeakPolarHBondContact CA-O 3.28Å; L293-L320 HydrophobicContact CD2-CB 3.73Å; L293-L320 HydrophobicContact CD2-CD1 3.88Å; L293-L320 HydrophobicContact CD2-CG 4.16Å; M294-L320 PolarHBondContact N-O 3.47Å |
| 321 | I | 97.2 | Very high | 95.5 | Very high | 89 Ų | 89 | 67.9 Ų | 67.9 | 46% | 0.456 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 129.4 | -179.7 | -58.4 | 168.2 | 0 | 0 | 0 | 108.5 | M294 I301 | M294-I321 HydrophobicContact CB-CG1 4.4Å; M294-I321 HydrophobicContact CE-CD1 4.14Å; M294-I321 HydrophobicContact CE-CG1 3.79Å; M294-I321 WeakPolarHBondContact O-CA 3.49Å; I301-I321 HydrophobicContact CG2-CD1 3.98Å |
| 322 | F | 95.3 | Very high | 95.3 | Very high | 72 Ų | 72 | 58.4 Ų | 58.4 | 32% | 0.316 | 30% | 0.304 | S | S | . | . | trans | -92.2 | 0 | 176.8 | -67.4 | -97.8 | 0 | 0 | 0 | 112.2 | G95 I168 P205 M206 I209 L293 M294 C295 | G95-F322 WeakPolarHBondContact O-CE1 3.4Å; I168-F322 HydrophobicContact CB-CE1 3.84Å; I168-F322 HydrophobicContact CB-CZ 4.07Å; I168-F322 HydrophobicContact CD1-CD1 4.14Å; I168-F322 HydrophobicContact CD1-CD2 4.21Å; I168-F322 HydrophobicContact CD1-CE1 3.98Å; I168-F322 HydrophobicContact CD1-CE2 4.04Å; I168-F322 HydrophobicContact CD1-CG 4.25Å; I168-F322 HydrophobicContact CD1-CZ 3.92Å; I168-F322 HydrophobicContact CG2-CE1 3.87Å; I168-F322 HydrophobicContact CG2-CZ 3.66Å; P205-F322 HydrophobicContact CB-CB 4.22Å; P205-F322 HydrophobicContact CB-CD1 3.85Å; P205-F322 HydrophobicContact CB-CE1 4.38Å; P205-F322 HydrophobicContact CB-CG 3.96Å; P205-F322 HydrophobicContact CG-CB 4.08Å; P205-F322 HydrophobicContact CG-CG 4.25Å; M206-F322 HydrophobicContact CE-CD2 3.89Å; M206-F322 HydrophobicContact CE-CE2 4.27Å; I209-F322 HydrophobicContact CD1-CE1 4.22Å; I209-F322 HydrophobicContact CD1-CE2 4.26Å; I209-F322 HydrophobicContact CD1-CZ 3.54Å; L293-F322 HydrophobicContact CB-CE2 3.98Å; L293-F322 HydrophobicContact CD1-CE2 4.03Å; L293-F322 HydrophobicContact CD1-CZ 4.35Å; L293-F322 HydrophobicContact CD2-CE2 4.08Å; L293-F322 HydrophobicContact CG-CE2 4.24Å; M294-F322 PolarHBondContact O-N 3.11Å; C295-F322 HydrophobicContact CB-CB 4.07Å |
Retrieved 322 of 322 residues in 249.8 ms
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