| 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 | 37.8 | Very low | 51.8 | Low | 187 Ų | 187 | 126.2 Ų | 126.2 | 92% | 0.921 | 66% | 0.657 | S | S | * | * | 0 | 101.7 | 0 | -157.7 | -173.9 | -67.1 | 0 | 0 | 108.3 | Y3 S90 | M1-Y3 HydrophobicContact CG-CD2 4.03Å; M1-S90 WeakPolarHBondContact CA-OG 3.41Å; M1-S90 PolarHBondContact N-OG 2.99Å | |||
| 2 | I | 44.9 | Very low | 52.8 | Low | 88 Ų | 88 | 123.7 Ų | 123.7 | 45% | 0.451 | 65% | 0.645 | S | S | . | * | trans | -108.1 | 73.7 | 173.6 | -47.8 | 175.3 | 0 | 0 | 0 | 107.3 | F28 | I2-F28 HydrophobicContact CD1-CE1 4.37Å; I2-F28 HydrophobicContact CD1-CZ 3.85Å | ||
| 3 | Y | 51.2 | Low | 53.9 | Low | 110 Ų | 110 | 116.8 Ų | 116.8 | 43% | 0.431 | 61% | 0.613 | S | S | . | * | trans | -123.6 | 106.2 | 164.4 | -62.4 | -67.9 | 0 | 0 | 0 | 106.5 | M1 E5 T57 | M1-Y3 HydrophobicContact CG-CD2 4.03Å; Y3-E5 PolarHBondContact O-N 2.99Å; Y3-T57 HydrophobicContact CD1-CG2 3.64Å; Y3-T57 HydrophobicContact CE1-CG2 3.65Å | ||
| 4 | E | 47 | Very low | 54.8 | Low | 96 Ų | 96 | 119.9 Ų | 119.9 | 45% | 0.449 | 63% | 0.631 | S | S | . | * | trans | -80.5 | 109.7 | 170.3 | -153.5 | 175 | 179.7 | 0 | 0 | 106.5 | T6 R26 | E4-T6 PolarHBondContact O-N 2.99Å; E4-R26 IonicContact OE1-CZ 3.31Å; E4-R26 IonicContact OE1-NE 3.35Å; E4-R26 PolarHBondContact OE1-NE 2.05Å; E4-R26 IonicContact OE1-NH2 2.8Å; E4-R26 PolarHBondContact OE1-NH2 3.36Å; E4-R26 WeakPolarHBondContact OE2-CD 3.24Å; E4-R26 VanDerWaalsContact OE2-CG 3.27Å; E4-R26 WeakPolarHBondContact OE2-CG 3.03Å; E4-R26 IonicContact OE2-CZ 3.86Å; E4-R26 IonicContact OE2-NE 3.65Å; E4-R26 PolarHBondContact OE2-NE 3.11Å | ||
| 5 | E | 50.1 | Low | 55.3 | Low | 156 Ų | 156 | 119.9 Ų | 119.9 | 73% | 0.729 | 63% | 0.626 | S | S | * | * | trans | -84.3 | 111.8 | -178.6 | -173.8 | 163.7 | -137.5 | 0 | 0 | 109.8 | Y3 K55 | Y3-E5 PolarHBondContact O-N 2.99Å; E5-K55 IonicContact OE1-NZ 3.41Å | ||
| 6 | T | 52.3 | Low | 55.3 | Low | 92 Ų | 92 | 115 Ų | 115 | 56% | 0.564 | 61% | 0.609 | S | S | * | * | trans | -90.9 | 121.5 | 171.7 | 50.5 | 0 | 0 | 0 | 0 | 110.1 | E4 H8 | E4-T6 PolarHBondContact O-N 2.99Å; T6-H8 PolarHBondContact O-N 2.95Å; T6-H8 VanDerWaalsContact O-N 3.15Å | ||
| 7 | S | 54 | Low | 55.4 | Low | 114 Ų | 114 | 116.2 Ų | 116.2 | 80% | 0.797 | 62% | 0.622 | S | S | * | * | trans | -71.8 | 2.2 | -173.3 | -174.5 | 0 | 0 | 0 | 0 | 115.4 | R9 | S7-R9 PolarHBondContact O-N 2.83Š| ||
| 8 | H | 57 | Low | 55.3 | Low | 174 Ų | 174 | 115.2 Ų | 115.2 | 81% | 0.806 | 62% | 0.62 | S | S | * | * | trans | -82.8 | 87.4 | 177.6 | -78.4 | 9.2 | 0 | 0 | 0 | 110.9 | T6 P10 | T6-H8 PolarHBondContact O-N 2.95Å; T6-H8 VanDerWaalsContact O-N 3.15Å; H8-P10 WeakPolarHBondContact O-CD 3.37Å | ||
| 9 | R | 56.1 | Low | 55.5 | Low | 227 Ų | 227 | 111.4 Ų | 111.4 | 86% | 0.857 | 61% | 0.61 | S | S | * | * | trans | -69 | 112.3 | 163.5 | -81.6 | -178.4 | 176.5 | 170.4 | -1 | 108.6 | S7 G11 | S7-R9 PolarHBondContact O-N 2.83Å; R9-G11 PolarHBondContact O-N 3.21Å | ||
| 10 | P | 56.5 | Low | 55.6 | Low | 68 Ų | 68 | 111.5 Ų | 111.5 | 44% | 0.442 | 61% | 0.61 | S | S | . | * | trans | -63 | 129.3 | 164.4 | 25 | -28.9 | 0 | 0 | 0 | 108.2 | H8 N12 | H8-P10 WeakPolarHBondContact O-CD 3.37Å; P10-N12 PolarHBondContact O-N 2.85Å | ||
| 11 | G | 63.2 | Low | 56 | Low | 76 Ų | 76 | 114.3 Ų | 114.3 | 78% | 0.784 | 62% | 0.619 | S | S | * | * | S | Bend | trans | -56.8 | -24.7 | -170 | 0 | 0 | 0 | 0 | 0 | 114.8 | R9 | R9-G11 PolarHBondContact O-N 3.21Š|
| 12 | N | 63.1 | Low | 57.9 | Low | 96 Ų | 96 | 111.7 Ų | 111.7 | 51% | 0.513 | 61% | 0.608 | S | S | . | * | trans | -136.5 | 93.9 | 178.4 | -73.2 | -20.5 | 0 | 0 | 0 | 111.1 | P10 N14 E15 | P10-N12 PolarHBondContact O-N 2.85Å; N12-N14 PolarHBondContact O-N 3.28Å; N12-E15 HydrophobicContact CB-CB 4.04Å; N12-E15 HydrophobicContact CB-CG 4.04Å; N12-E15 WeakPolarHBondContact CB-OE2 3.23Å; N12-E15 PolarHBondContact ND2-OE2 3.17Å; N12-E15 PolarHBondContact O-N 2.83Å; N12-E15 VanDerWaalsContact O-N 3.15Å | ||
| 13 | C | 67.8 | Low | 59.7 | Low | 34 Ų | 34 | 109.1 Ų | 109.1 | 23% | 0.23 | 60% | 0.595 | C | S | . | * | G | 310 helix | trans | -65.9 | -24.2 | 177 | -43.7 | 0 | 0 | 0 | 0 | 112.5 | E15 A16 C54 | C13-E15 VanDerWaalsContact C-N 3.28Å; C13-E15 PolarHBondContact O-N 2.87Å; C13-A16 WeakPolarHBondContact O-CB 3.48Å; C13-A16 PolarHBondContact O-N 2.96Å; C13-C54 HydrophobicContact CB-CB 3.59Å; C13-C54 WeakPolarHBondContact CB-SG 3.3Å; C13-C54 WeakPolarHBondContact SG-CB 3.48Å; C13-C54 CovalentContact SG-SG 1.98Å; C13-C54 PolarHBondContact SG-SG 2.98Å |
| 14 | N | 66.4 | Low | 61.6 | Low | 161 Ų | 161 | 111 Ų | 111 | 86% | 0.861 | 60% | 0.602 | S | S | * | * | G | 310 helix | trans | -70.9 | -25.3 | 176.7 | -62.6 | -18.8 | 0 | 0 | 0 | 112.2 | N12 | N12-N14 PolarHBondContact O-N 3.28Š|
| 15 | E | 62.4 | Low | 63.6 | Low | 119 Ų | 119 | 106.6 Ų | 106.6 | 56% | 0.556 | 58% | 0.581 | S | S | * | * | G | 310 helix | trans | -94.2 | 5.7 | 179.3 | -68.9 | 178.7 | 158.6 | 0 | 0 | 112.4 | N12 C13 T17 V18 | N12-E15 HydrophobicContact CB-CB 4.04Å; N12-E15 HydrophobicContact CB-CG 4.04Å; N12-E15 WeakPolarHBondContact CB-OE2 3.23Å; N12-E15 PolarHBondContact ND2-OE2 3.17Å; N12-E15 PolarHBondContact O-N 2.83Å; N12-E15 VanDerWaalsContact O-N 3.15Å; C13-E15 VanDerWaalsContact C-N 3.28Å; C13-E15 PolarHBondContact O-N 2.87Å; E15-T17 PolarHBondContact O-N 3.04Å; E15-T17 PolarHBondContact O-OG1 2.67Å; E15-V18 WeakPolarHBondContact O-CG2 3.49Å; E15-V18 PolarHBondContact O-N 2.99Å |
| 16 | A | 55.2 | Low | 65.6 | Low | 42 Ų | 42 | 105 Ų | 105 | 35% | 0.347 | 57% | 0.568 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -69 | 44.4 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | C13 F49 | C13-A16 WeakPolarHBondContact O-CB 3.48Å; C13-A16 PolarHBondContact O-N 2.96Å; A16-F49 HydrophobicContact CB-CE1 4.35Å; A16-F49 HydrophobicContact CB-CZ 4.39Å |
| 17 | T | 56.6 | Low | 67.4 | Low | 136 Ų | 136 | 100.9 Ų | 100.9 | 83% | 0.834 | 54% | 0.543 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74 | -3.3 | 141 | 19.9 | 0 | 0 | 0 | 0 | 111.6 | E15 G19 | E15-T17 PolarHBondContact O-N 3.04Å; E15-T17 PolarHBondContact O-OG1 2.67Å; T17-G19 VanDerWaalsContact C-N 3.26Å; T17-G19 PolarHBondContact O-N 3.23Å |
| 18 | V | 53.2 | Low | 69.1 | Low | 98 Ų | 98 | 99.6 Ų | 99.6 | 59% | 0.594 | 52% | 0.523 | S | S | * | . | S | Bend | trans | -64.9 | 87.4 | 172.7 | -168.8 | 0 | 0 | 0 | 0 | 109.7 | E15 L22 | E15-V18 WeakPolarHBondContact O-CG2 3.49Å; E15-V18 PolarHBondContact O-N 2.99Å; V18-L22 HydrophobicContact CG1-CD1 3.84Å |
| 19 | G | 58.8 | Low | 70.7 | Confident | 42 Ų | 42 | 97.8 Ų | 97.8 | 43% | 0.433 | 52% | 0.52 | S | S | . | . | trans | 17.9 | 121.9 | 172.3 | 0 | 0 | 0 | 0 | 0 | 117.6 | T17 Q21 L22 | T17-G19 VanDerWaalsContact C-N 3.26Å; T17-G19 PolarHBondContact O-N 3.23Å; G19-Q21 PolarHBondContact O-N 2.88Å; G19-L22 PolarHBondContact O-N 2.68Å | ||
| 20 | D | 58.2 | Low | 72.5 | Confident | 113 Ų | 113 | 94.6 Ų | 94.6 | 60% | 0.604 | 51% | 0.507 | S | S | * | . | G | 310 helix | trans | -40.9 | -21.8 | 172.1 | -59.2 | -29.4 | 0 | 0 | 0 | 114.9 | L22 L23 Y34 | D20-L22 VanDerWaalsContact C-N 3.27Å; D20-L22 PolarHBondContact O-N 2.89Å; D20-L23 PolarHBondContact O-N 2.79Å; D20-Y34 HydrophobicContact CB-CD1 4.34Å |
| 21 | Q | 64.6 | Low | 74.2 | Confident | 171 Ų | 171 | 95.9 Ų | 95.9 | 80% | 0.799 | 51% | 0.514 | S | S | * | . | G | 310 helix | trans | -60.3 | -23.2 | 176.5 | -61.9 | -172.8 | 6.2 | 0 | 0 | 115.5 | G19 | G19-Q21 PolarHBondContact O-N 2.88Š|
| 22 | L | 77.8 | Confident | 75.7 | Confident | 132 Ų | 132 | 94.6 Ų | 94.6 | 69% | 0.691 | 49% | 0.486 | S | S | * | . | G | 310 helix | trans | -94.9 | -18.9 | -177.9 | -80.7 | 161.1 | 0 | 0 | 0 | 114.2 | V18 G19 D20 R24 | V18-L22 HydrophobicContact CG1-CD1 3.84Å; G19-L22 PolarHBondContact O-N 2.68Å; D20-L22 VanDerWaalsContact C-N 3.27Å; D20-L22 PolarHBondContact O-N 2.89Å; L22-R24 PolarHBondContact O-N 3.25Å |
| 23 | L | 82.5 | Confident | 77.1 | Confident | 35 Ų | 35 | 94.5 Ų | 94.5 | 18% | 0.183 | 49% | 0.485 | C | S | . | . | trans | -79 | 114.7 | -178.4 | -62.7 | 179.3 | 0 | 0 | 0 | 109.6 | D20 Y34 F49 V56 | D20-L23 PolarHBondContact O-N 2.79Å; L23-Y34 HydrophobicContact CB-CG 4.41Å; L23-Y34 PolarHBondContact O-N 3.14Å; L23-F49 HydrophobicContact CD1-CB 4.06Å; L23-F49 HydrophobicContact CD1-CD1 4.21Å; L23-F49 HydrophobicContact CD1-CD2 4.41Å; L23-F49 HydrophobicContact CD1-CG 3.99Å; L23-F49 HydrophobicContact CD2-CD2 4.25Å; L23-F49 HydrophobicContact CD2-CE2 4.42Å; L23-V56 HydrophobicContact CB-CG2 3.98Å; L23-V56 HydrophobicContact CD2-CG2 3.67Å; L23-V56 HydrophobicContact CG-CG2 4.31Å | ||
| 24 | R | 89.8 | Confident | 78.1 | Confident | 149 Ų | 149 | 96.5 Ų | 96.5 | 56% | 0.562 | 49% | 0.489 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 134.6 | -179.7 | -66.1 | -177.2 | 175.5 | 169.7 | 2.8 | 111.9 | L22 Y32 N33 V56 | L22-R24 PolarHBondContact O-N 3.25Å; R24-Y32 CarbonylContact C-O 3.56Å; R24-Y32 WeakPolarHBondContact CA-O 3.37Å; R24-Y32 WeakPolarHBondContact CB-O 3.36Å; R24-N33 PolarHBondContact NE-OD1 2.75Å; R24-V56 WeakPolarHBondContact O-CG1 3.36Å |
| 25 | C | 90.7 | Very high | 79.1 | Confident | 3 Ų | 3 | 93.5 Ų | 93.5 | 2% | 0.02 | 47% | 0.473 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 137.5 | 169.8 | -70.6 | 0 | 0 | 0 | 0 | 110.6 | T31 Y32 C47 V56 T57 M58 | C25-T31 CarbonylContact O-C 3.57Å; C25-T31 VanDerWaalsContact O-CA 3.28Å; C25-T31 WeakPolarHBondContact O-CA 3.44Å; C25-Y32 PolarHBondContact N-O 2.85Å; C25-Y32 PolarHBondContact O-N 3.39Å; C25-C47 HydrophobicContact CB-CB 3.83Å; C25-C47 WeakPolarHBondContact CB-SG 3.42Å; C25-C47 PolarHBondContact N-SG 3.49Å; C25-C47 VanDerWaalsContact N-SG 3.37Å; C25-C47 WeakPolarHBondContact SG-CA 3.28Å; C25-C47 WeakPolarHBondContact SG-CB 3.39Å; C25-C47 CovalentContact SG-SG 2.03Å; C25-C47 PolarHBondContact SG-SG 3.4Å; C25-V56 HydrophobicContact CB-CG1 4.2Å; C25-V56 WeakPolarHBondContact SG-CG1 3.01Å; C25-T57 VanDerWaalsContact SG-C 3.58Å; C25-T57 PolarHBondContact SG-O 2.72Å; C25-T57 VanDerWaalsContact SG-O 3.41Å; C25-M58 HydrophobicContact CB-CE 4.08Å; C25-M58 HydrophobicContact CB-CG 3.6Å; C25-M58 HydrophobicContact CB-SD 3.67Å |
| 26 | R | 90.8 | Very high | 80.6 | Confident | 122 Ų | 122 | 89.1 Ų | 89.1 | 46% | 0.46 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 128.2 | 165.3 | -167.8 | 174.5 | 166 | 151.7 | 1.9 | 109.5 | E4 R30 | E4-R26 IonicContact OE1-CZ 3.31Å; E4-R26 IonicContact OE1-NE 3.35Å; E4-R26 PolarHBondContact OE1-NE 2.05Å; E4-R26 IonicContact OE1-NH2 2.8Å; E4-R26 PolarHBondContact OE1-NH2 3.36Å; E4-R26 WeakPolarHBondContact OE2-CD 3.24Å; E4-R26 VanDerWaalsContact OE2-CG 3.27Å; E4-R26 WeakPolarHBondContact OE2-CG 3.03Å; E4-R26 IonicContact OE2-CZ 3.86Å; E4-R26 IonicContact OE2-NE 3.65Å; E4-R26 PolarHBondContact OE2-NE 3.11Å; R26-R30 CarbonylContact C-O 3.45Å; R26-R30 WeakPolarHBondContact CA-O 3.01Å |
| 27 | F | 91.4 | Very high | 82.5 | Confident | 7 Ų | 7 | 93 Ų | 93 | 3% | 0.031 | 47% | 0.466 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152 | 122.7 | -176.7 | -165.4 | -121 | 0 | 0 | 0 | 110.6 | N29 R30 Y32 H40 Y45 M58 | F27-N29 VanDerWaalsContact C-N 3.35Å; F27-N29 PolarHBondContact O-N 3.44Å; F27-R30 PolarHBondContact N-O 3.06Å; F27-R30 PolarHBondContact O-N 3.09Å; F27-Y32 HydrophobicContact CB-CD2 3.9Å; F27-Y32 HydrophobicContact CB-CE2 3.72Å; F27-Y32 HydrophobicContact CD1-CE2 4.34Å; F27-H40 HydrophobicContact CE1-CB 4.2Å; F27-Y45 AromaticContact CE1-CD2 3.81Å; F27-Y45 HydrophobicContact CE1-CD2 3.81Å; F27-Y45 HydrophobicContact CE1-CE2 4.2Å; F27-Y45 HydrophobicContact CE1-CG 4.01Å; F27-Y45 HydrophobicContact CE2-CD1 4.09Å; F27-Y45 HydrophobicContact CE2-CE1 4.19Å; F27-Y45 HydrophobicContact CE2-CG 4.34Å; F27-Y45 AromaticContact CZ-CD1 3.71Å; F27-Y45 HydrophobicContact CZ-CD1 3.71Å; F27-Y45 AromaticContact CZ-CD2 3.56Å; F27-Y45 HydrophobicContact CZ-CD2 3.56Å; F27-Y45 AromaticContact CZ-CE1 3.81Å; F27-Y45 HydrophobicContact CZ-CE1 3.81Å; F27-Y45 AromaticContact CZ-CE2 3.66Å; F27-Y45 HydrophobicContact CZ-CE2 3.66Å; F27-Y45 AromaticContact CZ-CG 3.59Å; F27-Y45 HydrophobicContact CZ-CG 3.59Å; F27-Y45 AromaticContact CZ-CZ 3.79Å; F27-M58 HydrophobicContact CB-CG 3.69Å; F27-M58 HydrophobicContact CB-SD 3.56Å; F27-M58 VanDerWaalsContact CB-SD 3.56Å; F27-M58 HydrophobicContact CD1-SD 4.07Å; F27-M58 HydrophobicContact CD2-CB 3.75Å; F27-M58 HydrophobicContact CD2-CG 3.64Å; F27-M58 HydrophobicContact CD2-SD 4.1Å; F27-M58 HydrophobicContact CE2-CB 4.09Å; F27-M58 HydrophobicContact CE2-CG 4.43Å; F27-M58 HydrophobicContact CG-CB 4.33Å; F27-M58 HydrophobicContact CG-CG 3.79Å; F27-M58 HydrophobicContact CG-SD 3.67Å |
| 28 | F | 88.4 | Confident | 84.4 | Confident | 87 Ų | 87 | 87.6 Ų | 87.6 | 38% | 0.382 | 43% | 0.432 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 45.2 | 53.5 | -176.7 | -64.9 | -73.2 | 0 | 0 | 0 | 113.7 | I2 R30 H40 | I2-F28 HydrophobicContact CD1-CE1 4.37Å; I2-F28 HydrophobicContact CD1-CZ 3.85Å; F28-R30 PolarHBondContact O-N 3.09Å; F28-R30 VanDerWaalsContact O-N 3.14Å; F28-H40 AromaticContact CE1-NE2 3.65Å; F28-H40 HydrophobicContact CE2-CB 4.03Å; F28-H40 AromaticContact CE2-CD2 3.21Å; F28-H40 WeakPolarHBondContact CE2-CD2 3.44Å; F28-H40 AromaticContact CE2-CE1 3.94Å; F28-H40 AromaticContact CE2-CG 3.44Å; F28-H40 VanDerWaalsContact CE2-CG 3.44Å; F28-H40 AromaticContact CE2-ND1 3.89Å; F28-H40 AromaticContact CE2-NE2 3.56Å; F28-H40 AromaticContact CZ-CD2 3.21Å; F28-H40 WeakPolarHBondContact CZ-CD2 3.43Å; F28-H40 AromaticContact CZ-CE1 3.84Å; F28-H40 AromaticContact CZ-CG 3.91Å; F28-H40 AromaticContact CZ-NE2 3.17Å; F28-H40 WeakPolarHBondContact CZ-NE2 3.41Å |
| 29 | N | 90.4 | Very high | 86.4 | Confident | 136 Ų | 136 | 87.3 Ų | 87.3 | 73% | 0.727 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.7 | 19.1 | -179 | -65.3 | -22.4 | 0 | 0 | 0 | 115.5 | F27 | F27-N29 VanDerWaalsContact C-N 3.35Å; F27-N29 PolarHBondContact O-N 3.44Å |
| 30 | R | 94.1 | Very high | 88.1 | Confident | 159 Ų | 159 | 88.1 Ų | 88.1 | 60% | 0.6 | 42% | 0.423 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 153.2 | 172.3 | -65.5 | -175.6 | -179.8 | -158.8 | 1.4 | 110.3 | R26 F27 F28 Y32 | R26-R30 CarbonylContact C-O 3.45Å; R26-R30 WeakPolarHBondContact CA-O 3.01Å; F27-R30 PolarHBondContact N-O 3.06Å; F27-R30 PolarHBondContact O-N 3.09Å; F28-R30 PolarHBondContact O-N 3.09Å; F28-R30 VanDerWaalsContact O-N 3.14Å; R30-Y32 HydrophobicContact CB-CD2 4.44Å; R30-Y32 HydrophobicContact CB-CE2 3.58Å; R30-Y32 WeakPolarHBondContact CD-OH 3.31Å |
| 31 | T | 93.1 | Very high | 89.7 | Confident | 95 Ų | 95 | 88.6 Ų | 88.6 | 58% | 0.583 | 43% | 0.426 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 136.5 | 172.9 | 45.6 | 0 | 0 | 0 | 0 | 109.9 | C25 | C25-T31 CarbonylContact O-C 3.57Å; C25-T31 VanDerWaalsContact O-CA 3.28Å; C25-T31 WeakPolarHBondContact O-CA 3.44Å |
| 32 | Y | 93.6 | Very high | 91.1 | Very high | 50 Ų | 50 | 85.7 Ų | 85.7 | 20% | 0.196 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 140.3 | -178.7 | -61.8 | -88.7 | 0 | 0 | 0 | 108.7 | R24 C25 F27 R30 V38 M58 | R24-Y32 CarbonylContact C-O 3.56Å; R24-Y32 WeakPolarHBondContact CA-O 3.37Å; R24-Y32 WeakPolarHBondContact CB-O 3.36Å; C25-Y32 PolarHBondContact N-O 2.85Å; C25-Y32 PolarHBondContact O-N 3.39Å; F27-Y32 HydrophobicContact CB-CD2 3.9Å; F27-Y32 HydrophobicContact CB-CE2 3.72Å; F27-Y32 HydrophobicContact CD1-CE2 4.34Å; R30-Y32 HydrophobicContact CB-CD2 4.44Å; R30-Y32 HydrophobicContact CB-CE2 3.58Å; R30-Y32 WeakPolarHBondContact CD-OH 3.31Å; Y32-V38 HydrophobicContact CD1-CG1 4.44Å; Y32-V38 HydrophobicContact CD1-CG2 3.47Å; Y32-V38 VanDerWaalsContact CD1-CG2 3.47Å; Y32-V38 HydrophobicContact CD2-CG2 4.17Å; Y32-V38 HydrophobicContact CE1-CB 4.23Å; Y32-V38 HydrophobicContact CE1-CG1 3.61Å; Y32-V38 HydrophobicContact CE1-CG2 3.5Å; Y32-V38 HydrophobicContact CE2-CG2 4.22Å; Y32-V38 HydrophobicContact CG-CG2 3.81Å; Y32-M58 HydrophobicContact CD2-SD 4.43Å |
| 33 | N | 92.5 | Very high | 91.8 | Very high | 93 Ų | 93 | 80.1 Ų | 80.1 | 50% | 0.497 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.7 | 159 | 174.4 | -63.9 | -29.6 | 0 | 0 | 0 | 110.6 | R24 A36 C47 | R24-N33 PolarHBondContact NE-OD1 2.75Å; N33-A36 WeakPolarHBondContact O-CB 3.45Å; N33-A36 PolarHBondContact O-N 2.82Å; N33-A36 VanDerWaalsContact O-N 3.08Å; N33-C47 WeakPolarHBondContact O-CB 3.41Å |
| 34 | Y | 88.8 | Confident | 92.4 | Very high | 76 Ų | 76 | 78.8 Ų | 78.8 | 30% | 0.298 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -48.8 | 143.1 | 166.1 | 177.7 | -113.2 | 0 | 0 | 0 | 111.2 | D20 L23 A36 F49 | D20-Y34 HydrophobicContact CB-CD1 4.34Å; L23-Y34 HydrophobicContact CB-CG 4.41Å; L23-Y34 PolarHBondContact O-N 3.14Å; Y34-A36 PolarHBondContact O-N 2.87Å; Y34-F49 HydrophobicContact CD2-CB 4.29Å; Y34-F49 HydrophobicContact CE2-CB 4.01Å |
| 35 | D | 87.9 | Confident | 92.6 | Very high | 99 Ų | 99 | 72.9 Ų | 72.9 | 53% | 0.529 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 61.9 | 0.8 | -172.9 | -64.5 | -30.1 | 0 | 0 | 0 | 116.8 | K37 C47 | D35-K37 PolarHBondContact O-N 3.21Å; D35-C47 PolarHBondContact N-O 3.43Å |
| 36 | A | 94.4 | Very high | 92.8 | Very high | 27 Ų | 27 | 73.2 Ų | 73.2 | 22% | 0.223 | 36% | 0.357 | C | S | . | . | trans | -61.8 | 139.4 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | N33 Y34 A46 C47 | N33-A36 WeakPolarHBondContact O-CB 3.45Å; N33-A36 PolarHBondContact O-N 2.82Å; N33-A36 VanDerWaalsContact O-N 3.08Å; Y34-A36 PolarHBondContact O-N 2.87Å; A36-A46 WeakPolarHBondContact O-CA 3.42Å; A36-C47 PolarHBondContact O-N 3.28Å | ||
| 37 | K | 95.5 | Very high | 93 | Very high | 124 Ų | 124 | 67.4 Ų | 67.4 | 54% | 0.539 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 134.7 | 174.5 | -59.7 | -175.9 | -172.6 | 177 | 0 | 110.2 | D35 E44 Y45 I61 | D35-K37 PolarHBondContact O-N 3.21Å; K37-E44 HydrophobicContact CB-CG 4.44Å; K37-E44 VanDerWaalsContact CD-OE1 3.26Å; K37-E44 WeakPolarHBondContact CD-OE1 3.17Å; K37-Y45 CarbonylContact C-O 3.56Å; K37-Y45 VanDerWaalsContact CA-O 3.23Å; K37-Y45 WeakPolarHBondContact CA-O 3.31Å; K37-I61 HydrophobicContact CD-CD1 4.29Å |
| 38 | V | 95.9 | Very high | 93 | Very high | 21 Ų | 21 | 69.5 Ų | 69.5 | 13% | 0.127 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 136.9 | -175.5 | -152.6 | 0 | 0 | 0 | 0 | 109 | Y32 E44 Y45 M58 | Y32-V38 HydrophobicContact CD1-CG1 4.44Å; Y32-V38 HydrophobicContact CD1-CG2 3.47Å; Y32-V38 VanDerWaalsContact CD1-CG2 3.47Å; Y32-V38 HydrophobicContact CD2-CG2 4.17Å; Y32-V38 HydrophobicContact CE1-CB 4.23Å; Y32-V38 HydrophobicContact CE1-CG1 3.61Å; Y32-V38 HydrophobicContact CE1-CG2 3.5Å; Y32-V38 HydrophobicContact CE2-CG2 4.22Å; Y32-V38 HydrophobicContact CG-CG2 3.81Å; V38-E44 WeakPolarHBondContact O-CA 3.44Å; V38-Y45 PolarHBondContact N-O 3.09Å; V38-Y45 PolarHBondContact O-N 3.14Å; V38-M58 HydrophobicContact CG2-SD 4.43Å |
| 39 | V | 95 | Very high | 92.9 | Very high | 92 Ų | 92 | 67.1 Ų | 67.1 | 56% | 0.558 | 34% | 0.338 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 128.9 | 175.5 | 177.4 | 0 | 0 | 0 | 0 | 109.8 | I43 E44 L64 | V39-I43 CarbonylContact C-O 3.56Å; V39-I43 WeakPolarHBondContact CA-O 3.25Å; V39-E44 HydrophobicContact CG2-CG 4.45Å; V39-L64 HydrophobicContact CB-CD1 4.16Å; V39-L64 HydrophobicContact CG1-CD1 3.41Å; V39-L64 VanDerWaalsContact CG1-CD1 3.41Å; V39-L64 HydrophobicContact CG2-CD1 3.63Å |
| 40 | H | 94.3 | Very high | 92.6 | Very high | 59 Ų | 59 | 62.9 Ų | 62.9 | 27% | 0.273 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 131.2 | 172.8 | -174.5 | 76.2 | 0 | 0 | 0 | 110 | F27 F28 Q42 I43 Y45 | F27-H40 HydrophobicContact CE1-CB 4.2Å; F28-H40 AromaticContact CE1-NE2 3.65Å; F28-H40 HydrophobicContact CE2-CB 4.03Å; F28-H40 AromaticContact CE2-CD2 3.21Å; F28-H40 WeakPolarHBondContact CE2-CD2 3.44Å; F28-H40 AromaticContact CE2-CE1 3.94Å; F28-H40 AromaticContact CE2-CG 3.44Å; F28-H40 VanDerWaalsContact CE2-CG 3.44Å; F28-H40 AromaticContact CE2-ND1 3.89Å; F28-H40 AromaticContact CE2-NE2 3.56Å; F28-H40 AromaticContact CZ-CD2 3.21Å; F28-H40 WeakPolarHBondContact CZ-CD2 3.43Å; F28-H40 AromaticContact CZ-CE1 3.84Å; F28-H40 AromaticContact CZ-CG 3.91Å; F28-H40 AromaticContact CZ-NE2 3.17Å; F28-H40 WeakPolarHBondContact CZ-NE2 3.41Å; H40-Q42 VanDerWaalsContact C-N 3.34Å; H40-Q42 PolarHBondContact O-N 3.31Å; H40-I43 PolarHBondContact N-O 3.01Å; H40-I43 WeakPolarHBondContact O-CB 3.04Å; H40-I43 PolarHBondContact O-N 3.49Å; H40-Y45 HydrophobicContact CB-CD2 4.39Å; H40-Y45 HydrophobicContact CB-CE2 3.97Å |
| 41 | N | 92.4 | Very high | 92.1 | Very high | 124 Ų | 124 | 62.9 Ų | 62.9 | 66% | 0.663 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 45.8 | 51.3 | -179.8 | -63.4 | -16.1 | 0 | 0 | 0 | 114.2 | I43 | N41-I43 PolarHBondContact O-N 3.19Š|
| 42 | Q | 93.8 | Very high | 91.4 | Very high | 109 Ų | 109 | 67.8 Ų | 67.8 | 51% | 0.509 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60.5 | 23.6 | -178.6 | -58.3 | 178.6 | -19.7 | 0 | 0 | 114.7 | H40 L64 | H40-Q42 VanDerWaalsContact C-N 3.34Å; H40-Q42 PolarHBondContact O-N 3.31Å; Q42-L64 WeakPolarHBondContact O-CB 3.34Å; Q42-L64 PolarHBondContact O-N 3.13Å |
| 43 | I | 93.6 | Very high | 90.8 | Very high | 16 Ų | 16 | 68.5 Ų | 68.5 | 8% | 0.082 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 131.5 | 175.3 | -61.8 | 155.9 | 0 | 0 | 0 | 108.2 | V39 H40 N41 Y45 P60 M92 | V39-I43 CarbonylContact C-O 3.56Å; V39-I43 WeakPolarHBondContact CA-O 3.25Å; H40-I43 PolarHBondContact N-O 3.01Å; H40-I43 WeakPolarHBondContact O-CB 3.04Å; H40-I43 PolarHBondContact O-N 3.49Å; N41-I43 PolarHBondContact O-N 3.19Å; I43-Y45 HydrophobicContact CB-CD2 4.3Å; I43-Y45 HydrophobicContact CB-CE2 3.54Å; I43-Y45 WeakPolarHBondContact CD1-OH 3.5Å; I43-Y45 HydrophobicContact CG2-CD1 4.42Å; I43-Y45 HydrophobicContact CG2-CD2 3.86Å; I43-Y45 HydrophobicContact CG2-CE1 3.99Å; I43-Y45 HydrophobicContact CG2-CE2 3.36Å; I43-Y45 HydrophobicContact CG2-CG 4.36Å; I43-Y45 VanDerWaalsContact CG2-CZ 3.42Å; I43-Y45 WeakPolarHBondContact O-CD2 3.31Å; I43-P60 HydrophobicContact CG2-CB 3.95Å; I43-M92 HydrophobicContact CB-CE 4.39Å; I43-M92 WeakPolarHBondContact CD1-O 3.23Å; I43-M92 HydrophobicContact CG1-CE 4.49Å; I43-M92 HydrophobicContact CG2-CE 3.34Å |
| 44 | E | 94.7 | Very high | 90.3 | Very high | 7 Ų | 7 | 65 Ų | 65 | 3% | 0.033 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 127.9 | 168.5 | -169 | 173.6 | -172.9 | 0 | 0 | 109.2 | K37 V38 V39 I61 F62 L64 R69 | K37-E44 HydrophobicContact CB-CG 4.44Å; K37-E44 VanDerWaalsContact CD-OE1 3.26Å; K37-E44 WeakPolarHBondContact CD-OE1 3.17Å; V38-E44 WeakPolarHBondContact O-CA 3.44Å; V39-E44 HydrophobicContact CG2-CG 4.45Å; E44-I61 HydrophobicContact CB-CG1 4.2Å; E44-I61 HydrophobicContact CG-CD1 3.99Å; E44-I61 HydrophobicContact CG-CG1 4.07Å; E44-I61 WeakPolarHBondContact O-CG1 3.32Å; E44-I61 PolarHBondContact O-N 3.1Å; E44-F62 HydrophobicContact CB-CB 4.26Å; E44-F62 PolarHBondContact N-O 3.3Å; E44-F62 PolarHBondContact O-N 2.69Å; E44-F62 WeakPolarHBondContact OE2-CD2 3.39Å; E44-L64 HydrophobicContact CB-CD1 4.41Å; E44-L64 HydrophobicContact CB-CD2 4.21Å; E44-L64 HydrophobicContact CB-CG 4.4Å; E44-R69 IonicContact OE1-CZ 3.47Å; E44-R69 IonicContact OE1-NE 2.76Å; E44-R69 IonicContact OE1-NH2 2.8Å; E44-R69 PolarHBondContact OE1-NH2 2.96Å; E44-R69 IonicContact OE2-CZ 2.94Å; E44-R69 IonicContact OE2-NE 3.2Å; E44-R69 PolarHBondContact OE2-NE 3.1Å; E44-R69 IonicContact OE2-NH2 2.7Å; E44-R69 PolarHBondContact OE2-NH2 2.9Å |
| 45 | Y | 94.4 | Very high | 90.1 | Very high | 24 Ų | 24 | 64.2 Ų | 64.2 | 9% | 0.094 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 146.7 | 176.8 | -62.2 | -95.8 | 0 | 0 | 0 | 109.5 | F27 K37 V38 H40 I43 V59 P60 | F27-Y45 AromaticContact CE1-CD2 3.81Å; F27-Y45 HydrophobicContact CE1-CD2 3.81Å; F27-Y45 HydrophobicContact CE1-CE2 4.2Å; F27-Y45 HydrophobicContact CE1-CG 4.01Å; F27-Y45 HydrophobicContact CE2-CD1 4.09Å; F27-Y45 HydrophobicContact CE2-CE1 4.19Å; F27-Y45 HydrophobicContact CE2-CG 4.34Å; F27-Y45 AromaticContact CZ-CD1 3.71Å; F27-Y45 HydrophobicContact CZ-CD1 3.71Å; F27-Y45 AromaticContact CZ-CD2 3.56Å; F27-Y45 HydrophobicContact CZ-CD2 3.56Å; F27-Y45 AromaticContact CZ-CE1 3.81Å; F27-Y45 HydrophobicContact CZ-CE1 3.81Å; F27-Y45 AromaticContact CZ-CE2 3.66Å; F27-Y45 HydrophobicContact CZ-CE2 3.66Å; F27-Y45 AromaticContact CZ-CG 3.59Å; F27-Y45 HydrophobicContact CZ-CG 3.59Å; F27-Y45 AromaticContact CZ-CZ 3.79Å; K37-Y45 CarbonylContact C-O 3.56Å; K37-Y45 VanDerWaalsContact CA-O 3.23Å; K37-Y45 WeakPolarHBondContact CA-O 3.31Å; V38-Y45 PolarHBondContact N-O 3.09Å; V38-Y45 PolarHBondContact O-N 3.14Å; H40-Y45 HydrophobicContact CB-CD2 4.39Å; H40-Y45 HydrophobicContact CB-CE2 3.97Å; I43-Y45 HydrophobicContact CB-CD2 4.3Å; I43-Y45 HydrophobicContact CB-CE2 3.54Å; I43-Y45 WeakPolarHBondContact CD1-OH 3.5Å; I43-Y45 HydrophobicContact CG2-CD1 4.42Å; I43-Y45 HydrophobicContact CG2-CD2 3.86Å; I43-Y45 HydrophobicContact CG2-CE1 3.99Å; I43-Y45 HydrophobicContact CG2-CE2 3.36Å; I43-Y45 HydrophobicContact CG2-CG 4.36Å; I43-Y45 VanDerWaalsContact CG2-CZ 3.42Å; I43-Y45 WeakPolarHBondContact O-CD2 3.31Å; Y45-V59 CarbonylContact C-O 3.52Å; Y45-V59 VanDerWaalsContact CA-O 3.25Å; Y45-V59 WeakPolarHBondContact CA-O 3.34Å; Y45-P60 HydrophobicContact CD1-CB 4.04Å; Y45-P60 HydrophobicContact CE1-CB 3.87Å; Y45-P60 HydrophobicContact CE1-CG 4.48Å |
| 46 | A | 94.7 | Very high | 90.1 | Very high | 11 Ų | 11 | 61 Ų | 61 | 9% | 0.091 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 142.8 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | A36 T48 M58 V59 I61 | A36-A46 WeakPolarHBondContact O-CA 3.42Å; A46-T48 HydrophobicContact CB-CG2 4.42Å; A46-T48 PolarHBondContact O-N 3.43Å; A46-M58 WeakPolarHBondContact O-CE 2.94Å; A46-V59 PolarHBondContact N-O 2.84Å; A46-V59 WeakPolarHBondContact O-CG2 3.16Å; A46-V59 PolarHBondContact O-N 3.03Å; A46-I61 HydrophobicContact CB-CD1 3.73Å; A46-I61 HydrophobicContact CB-CG1 4.19Å; A46-I61 HydrophobicContact CB-CG2 3.85Å |
| 47 | C | 93.8 | Very high | 89.9 | Confident | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 107.9 | 176.6 | -173.8 | 0 | 0 | 0 | 0 | 110.5 | C25 N33 D35 A36 V56 M58 | C25-C47 HydrophobicContact CB-CB 3.83Å; C25-C47 WeakPolarHBondContact CB-SG 3.42Å; C25-C47 PolarHBondContact N-SG 3.49Å; C25-C47 VanDerWaalsContact N-SG 3.37Å; C25-C47 WeakPolarHBondContact SG-CA 3.28Å; C25-C47 WeakPolarHBondContact SG-CB 3.39Å; C25-C47 CovalentContact SG-SG 2.03Å; C25-C47 PolarHBondContact SG-SG 3.4Å; N33-C47 WeakPolarHBondContact O-CB 3.41Å; D35-C47 PolarHBondContact N-O 3.43Å; A36-C47 PolarHBondContact O-N 3.28Å; C47-V56 VanDerWaalsContact SG-CG1 3.54Å; C47-M58 HydrophobicContact CB-CE 3.55Å |
| 48 | T | 90.9 | Very high | 89.7 | Confident | 51 Ų | 51 | 55.7 Ų | 55.7 | 31% | 0.313 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 155.5 | -176.1 | 59.4 | 0 | 0 | 0 | 0 | 111 | A46 V56 T57 V59 | A46-T48 HydrophobicContact CB-CG2 4.42Å; A46-T48 PolarHBondContact O-N 3.43Å; T48-V56 CarbonylContact O-C 3.52Å; T48-V56 VanDerWaalsContact O-CA 3.3Å; T48-V56 WeakPolarHBondContact O-CA 3.48Å; T48-T57 PolarHBondContact N-O 3.39Å; T48-T57 PolarHBondContact O-N 3.49Å; T48-T57 PolarHBondContact OG1-O 3.31Å; T48-V59 HydrophobicContact CG2-CG2 3.75Å |
| 49 | F | 87.2 | Confident | 89.4 | Confident | 37 Ų | 37 | 56.7 Ų | 56.7 | 16% | 0.162 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 123.8 | 174.6 | 175.4 | -116.1 | 0 | 0 | 0 | 109 | A16 L23 Y34 K51 K55 V56 | A16-F49 HydrophobicContact CB-CE1 4.35Å; A16-F49 HydrophobicContact CB-CZ 4.39Å; L23-F49 HydrophobicContact CD1-CB 4.06Å; L23-F49 HydrophobicContact CD1-CD1 4.21Å; L23-F49 HydrophobicContact CD1-CD2 4.41Å; L23-F49 HydrophobicContact CD1-CG 3.99Å; L23-F49 HydrophobicContact CD2-CD2 4.25Å; L23-F49 HydrophobicContact CD2-CE2 4.42Å; Y34-F49 HydrophobicContact CD2-CB 4.29Å; Y34-F49 HydrophobicContact CE2-CB 4.01Å; F49-K51 HydrophobicContact CD1-CG 4.07Å; F49-K51 HydrophobicContact CE1-CB 4.42Å; F49-K51 HydrophobicContact CE1-CG 3.71Å; F49-K55 WeakPolarHBondContact CA-O 3.36Å; F49-V56 HydrophobicContact CB-CG2 4.34Å; F49-V56 HydrophobicContact CD2-CG2 3.67Å; F49-V56 HydrophobicContact CE2-CG2 4.48Å; F49-V56 HydrophobicContact CG-CG2 4.42Å |
| 50 | S | 84.7 | Confident | 89.3 | Confident | 46 Ų | 46 | 53.4 Ų | 53.4 | 32% | 0.322 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 116.4 | 168.6 | 171.9 | 0 | 0 | 0 | 0 | 108.6 | A53 C54 K55 | S50-A53 WeakPolarHBondContact OG-CB 3.34Å; S50-A53 PolarHBondContact OG-N 3.17Å; S50-A53 VanDerWaalsContact OG-N 3.13Å; S50-C54 CarbonylContact O-C 3.52Å; S50-C54 WeakPolarHBondContact O-CA 3.12Å; S50-C54 PolarHBondContact O-N 3.42Å; S50-K55 PolarHBondContact N-O 3.45Å; S50-K55 PolarHBondContact O-N 2.95Å |
| 51 | K | 82.8 | Confident | 89.2 | Confident | 160 Ų | 160 | 52.4 Ų | 52.4 | 70% | 0.696 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | -43.4 | 174.9 | -71.1 | -176.3 | 177.5 | -175.7 | 0 | 111.4 | F49 C54 | F49-K51 HydrophobicContact CD1-CG 4.07Å; F49-K51 HydrophobicContact CE1-CB 4.42Å; F49-K51 HydrophobicContact CE1-CG 3.71Å; K51-C54 PolarHBondContact O-N 2.93Å; K51-C54 VanDerWaalsContact O-N 3.13Å |
| 52 | E | 78.5 | Confident | 89.2 | Confident | 198 Ų | 198 | 47.6 Ų | 47.6 | 93% | 0.925 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -46.7 | -179.6 | -65.1 | 176.9 | -178.1 | 0 | 0 | 112.1 | C54 | E52-C54 PolarHBondContact O-N 2.89Š|
| 53 | A | 81.6 | Confident | 89.2 | Confident | 64 Ų | 64 | 42.5 Ų | 42.5 | 53% | 0.529 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.6 | -7.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | S50 K55 | S50-A53 WeakPolarHBondContact OG-CB 3.34Å; S50-A53 PolarHBondContact OG-N 3.17Å; S50-A53 VanDerWaalsContact OG-N 3.13Å; A53-K55 HydrophobicContact CB-CB 4.03Å; A53-K55 PolarHBondContact O-N 3.42Å |
| 54 | C | 81.3 | Confident | 89.2 | Confident | 21 Ų | 21 | 42.8 Ų | 42.8 | 14% | 0.142 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 47.6 | 45.1 | -171.8 | -166 | 0 | 0 | 0 | 0 | 113.1 | C13 S50 K51 E52 | C13-C54 HydrophobicContact CB-CB 3.59Å; C13-C54 WeakPolarHBondContact CB-SG 3.3Å; C13-C54 WeakPolarHBondContact SG-CB 3.48Å; C13-C54 CovalentContact SG-SG 1.98Å; C13-C54 PolarHBondContact SG-SG 2.98Å; S50-C54 CarbonylContact O-C 3.52Å; S50-C54 WeakPolarHBondContact O-CA 3.12Å; S50-C54 PolarHBondContact O-N 3.42Å; K51-C54 PolarHBondContact O-N 2.93Å; K51-C54 VanDerWaalsContact O-N 3.13Å; E52-C54 PolarHBondContact O-N 2.89Å |
| 55 | K | 85.4 | Confident | 88.9 | Confident | 58 Ų | 58 | 44.9 Ų | 44.9 | 25% | 0.252 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 130.6 | -165.2 | -171.1 | 175 | -179.9 | 168.1 | 0 | 111.4 | E5 F49 S50 A53 | E5-K55 IonicContact OE1-NZ 3.41Å; F49-K55 WeakPolarHBondContact CA-O 3.36Å; S50-K55 PolarHBondContact N-O 3.45Å; S50-K55 PolarHBondContact O-N 2.95Å; A53-K55 HydrophobicContact CB-CB 4.03Å; A53-K55 PolarHBondContact O-N 3.42Å |
| 56 | V | 87.7 | Confident | 88.7 | Confident | 32 Ų | 32 | 47 Ų | 47 | 19% | 0.194 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 125.5 | 168.5 | -179.8 | 0 | 0 | 0 | 0 | 108.3 | L23 R24 C25 C47 T48 F49 | L23-V56 HydrophobicContact CB-CG2 3.98Å; L23-V56 HydrophobicContact CD2-CG2 3.67Å; L23-V56 HydrophobicContact CG-CG2 4.31Å; R24-V56 WeakPolarHBondContact O-CG1 3.36Å; C25-V56 HydrophobicContact CB-CG1 4.2Å; C25-V56 WeakPolarHBondContact SG-CG1 3.01Å; C47-V56 VanDerWaalsContact SG-CG1 3.54Å; T48-V56 CarbonylContact O-C 3.52Å; T48-V56 VanDerWaalsContact O-CA 3.3Å; T48-V56 WeakPolarHBondContact O-CA 3.48Å; F49-V56 HydrophobicContact CB-CG2 4.34Å; F49-V56 HydrophobicContact CD2-CG2 3.67Å; F49-V56 HydrophobicContact CE2-CG2 4.48Å; F49-V56 HydrophobicContact CG-CG2 4.42Å |
| 57 | T | 89.6 | Confident | 88.5 | Confident | 29 Ų | 29 | 54.2 Ų | 54.2 | 18% | 0.178 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 145.6 | -173.5 | -53.3 | 0 | 0 | 0 | 0 | 111 | Y3 C25 T48 V59 | Y3-T57 HydrophobicContact CD1-CG2 3.64Å; Y3-T57 HydrophobicContact CE1-CG2 3.65Å; C25-T57 VanDerWaalsContact SG-C 3.58Å; C25-T57 PolarHBondContact SG-O 2.72Å; C25-T57 VanDerWaalsContact SG-O 3.41Å; T48-T57 PolarHBondContact N-O 3.39Å; T48-T57 PolarHBondContact O-N 3.49Å; T48-T57 PolarHBondContact OG1-O 3.31Å; T57-V59 HydrophobicContact CG2-CG1 4.25Å |
| 58 | M | 91.7 | Very high | 88.3 | Confident | 11 Ų | 11 | 55.7 Ų | 55.7 | 5% | 0.054 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 115.5 | 167.2 | -65.7 | -95.2 | 55.8 | 0 | 0 | 109.8 | C25 F27 Y32 V38 A46 C47 | C25-M58 HydrophobicContact CB-CE 4.08Å; C25-M58 HydrophobicContact CB-CG 3.6Å; C25-M58 HydrophobicContact CB-SD 3.67Å; F27-M58 HydrophobicContact CB-CG 3.69Å; F27-M58 HydrophobicContact CB-SD 3.56Å; F27-M58 VanDerWaalsContact CB-SD 3.56Å; F27-M58 HydrophobicContact CD1-SD 4.07Å; F27-M58 HydrophobicContact CD2-CB 3.75Å; F27-M58 HydrophobicContact CD2-CG 3.64Å; F27-M58 HydrophobicContact CD2-SD 4.1Å; F27-M58 HydrophobicContact CE2-CB 4.09Å; F27-M58 HydrophobicContact CE2-CG 4.43Å; F27-M58 HydrophobicContact CG-CB 4.33Å; F27-M58 HydrophobicContact CG-CG 3.79Å; F27-M58 HydrophobicContact CG-SD 3.67Å; Y32-M58 HydrophobicContact CD2-SD 4.43Å; V38-M58 HydrophobicContact CG2-SD 4.43Å; A46-M58 WeakPolarHBondContact O-CE 2.94Å; C47-M58 HydrophobicContact CB-CE 3.55Å |
| 59 | V | 90.1 | Very high | 88.3 | Confident | 42 Ų | 42 | 60 Ų | 60 | 26% | 0.255 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 131.3 | 179.5 | -61.8 | 0 | 0 | 0 | 0 | 110.2 | Y45 A46 T48 T57 I61 | Y45-V59 CarbonylContact C-O 3.52Å; Y45-V59 VanDerWaalsContact CA-O 3.25Å; Y45-V59 WeakPolarHBondContact CA-O 3.34Å; A46-V59 PolarHBondContact N-O 2.84Å; A46-V59 WeakPolarHBondContact O-CG2 3.16Å; A46-V59 PolarHBondContact O-N 3.03Å; T48-V59 HydrophobicContact CG2-CG2 3.75Å; T57-V59 HydrophobicContact CG2-CG1 4.25Å; V59-I61 HydrophobicContact CG2-CG2 3.98Å; V59-I61 PolarHBondContact O-N 3.17Å |
| 60 | P | 91.1 | Very high | 88.4 | Confident | 23 Ų | 23 | 59 Ų | 59 | 15% | 0.149 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65 | 129.4 | 169.5 | 25.8 | -31 | 0 | 0 | 0 | 109.6 | I43 Y45 L87 M92 | I43-P60 HydrophobicContact CG2-CB 3.95Å; Y45-P60 HydrophobicContact CD1-CB 4.04Å; Y45-P60 HydrophobicContact CE1-CB 3.87Å; Y45-P60 HydrophobicContact CE1-CG 4.48Å; P60-L87 HydrophobicContact CG-CD1 3.96Å; P60-M92 HydrophobicContact CB-CB 3.75Å; P60-M92 HydrophobicContact CB-CE 3.52Å; P60-M92 HydrophobicContact CB-CG 4.44Å; P60-M92 HydrophobicContact CB-SD 3.88Å; P60-M92 HydrophobicContact CG-CB 4.16Å |
| 61 | I | 92.8 | Very high | 88.7 | Confident | 38 Ų | 38 | 60.2 Ų | 60.2 | 20% | 0.195 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | -32.5 | -175.5 | 54.5 | 162 | 0 | 0 | 0 | 114.6 | K37 E44 A46 V59 P72 | K37-I61 HydrophobicContact CD-CD1 4.29Å; E44-I61 HydrophobicContact CB-CG1 4.2Å; E44-I61 HydrophobicContact CG-CD1 3.99Å; E44-I61 HydrophobicContact CG-CG1 4.07Å; E44-I61 WeakPolarHBondContact O-CG1 3.32Å; E44-I61 PolarHBondContact O-N 3.1Å; A46-I61 HydrophobicContact CB-CD1 3.73Å; A46-I61 HydrophobicContact CB-CG1 4.19Å; A46-I61 HydrophobicContact CB-CG2 3.85Å; V59-I61 HydrophobicContact CG2-CG2 3.98Å; V59-I61 PolarHBondContact O-N 3.17Å; I61-P72 VanDerWaalsContact O-CD 3.25Å; I61-P72 WeakPolarHBondContact O-CD 3.27Å |
| 62 | F | 92.8 | Very high | 88.9 | Confident | 23 Ų | 23 | 54.9 Ų | 54.9 | 10% | 0.101 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 146 | 173.9 | -59.4 | -72.1 | 0 | 0 | 0 | 111.6 | E44 R69 V70 E71 M92 | E44-F62 HydrophobicContact CB-CB 4.26Å; E44-F62 PolarHBondContact N-O 3.3Å; E44-F62 PolarHBondContact O-N 2.69Å; E44-F62 WeakPolarHBondContact OE2-CD2 3.39Å; F62-R69 HydrophobicContact CB-CB 4.24Å; F62-R69 HydrophobicContact CB-CG 4.45Å; F62-R69 HydrophobicContact CD1-CB 4.22Å; F62-R69 HydrophobicContact CG-CB 4.11Å; F62-R69 HydrophobicContact CG-CG 4.41Å; F62-V70 WeakPolarHBondContact CA-O 3.38Å; F62-E71 HydrophobicContact CD1-CB 4.49Å; F62-E71 HydrophobicContact CD1-CG 4.22Å; F62-E71 HydrophobicContact CE1-CB 4.45Å; F62-E71 HydrophobicContact CE1-CG 3.92Å; F62-M92 WeakPolarHBondContact O-CE 3.36Å |
| 63 | C | 93.5 | Very high | 89.2 | Confident | 1 Ų | 1 | 46.8 Ų | 46.8 | 1% | 0.007 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 145.9 | 157.6 | -58.7 | 0 | 0 | 0 | 0 | 109.1 | V70 C85 G93 I94 | C63-V70 HydrophobicContact CB-CB 4.33Å; C63-V70 PolarHBondContact N-O 3.28Å; C63-V70 PolarHBondContact O-N 3.43Å; C63-C85 HydrophobicContact CB-CB 3.58Å; C63-C85 WeakPolarHBondContact CB-SG 3.08Å; C63-C85 PolarHBondContact N-SG 2.88Å; C63-C85 WeakPolarHBondContact SG-CA 3.41Å; C63-C85 WeakPolarHBondContact SG-CB 3.47Å; C63-C85 CovalentContact SG-SG 2.03Å; C63-C85 PolarHBondContact SG-SG 2.05Å; C63-G93 VanDerWaalsContact SG-C 3.57Å; C63-I94 HydrophobicContact CB-CD1 3.97Å; C63-I94 HydrophobicContact CB-CG1 3.5Å |
| 64 | L | 92.9 | Very high | 89.5 | Confident | 23 Ų | 23 | 45.4 Ų | 45.4 | 12% | 0.12 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 131.3 | 179.3 | -56.3 | -180 | 0 | 0 | 0 | 109.9 | V39 Q42 E44 A68 R69 | V39-L64 HydrophobicContact CB-CD1 4.16Å; V39-L64 HydrophobicContact CG1-CD1 3.41Å; V39-L64 VanDerWaalsContact CG1-CD1 3.41Å; V39-L64 HydrophobicContact CG2-CD1 3.63Å; Q42-L64 WeakPolarHBondContact O-CB 3.34Å; Q42-L64 PolarHBondContact O-N 3.13Å; E44-L64 HydrophobicContact CB-CD1 4.41Å; E44-L64 HydrophobicContact CB-CD2 4.21Å; E44-L64 HydrophobicContact CB-CG 4.4Å; L64-A68 WeakPolarHBondContact CA-O 3.1Å; L64-R69 HydrophobicContact CD2-CG 3.78Å |
| 65 | L | 88.6 | Confident | 89.8 | Confident | 50 Ų | 50 | 45.4 Ų | 45.4 | 26% | 0.262 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 93.5 | 173.4 | -177.7 | 69.6 | 0 | 0 | 0 | 108.9 | D67 A68 F76 M78 I94 | L65-D67 PolarHBondContact O-N 3.04Å; L65-A68 PolarHBondContact N-O 2.9Å; L65-A68 WeakPolarHBondContact O-CB 3.06Å; L65-A68 PolarHBondContact O-N 3.22Å; L65-A68 VanDerWaalsContact O-N 3.08Å; L65-F76 HydrophobicContact CD2-CD2 4.22Å; L65-F76 HydrophobicContact CD2-CE2 3.55Å; L65-F76 HydrophobicContact CD2-CZ 3.86Å; L65-M78 HydrophobicContact CD1-CE 3.8Å; L65-M78 HydrophobicContact CD2-CE 3.48Å; L65-M78 VanDerWaalsContact CD2-CE 3.48Å; L65-M78 HydrophobicContact CG-CE 4.15Å; L65-I94 HydrophobicContact CB-CD1 3.99Å; L65-I94 HydrophobicContact CD1-CD1 4.28Å |
| 66 | G | 91 | Very high | 90 | Very high | 68 Ų | 68 | 43.7 Ų | 43.7 | 70% | 0.701 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.2 | -123.5 | -163.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||
| 67 | D | 90.6 | Very high | 90.2 | Very high | 163 Ų | 163 | 44 Ų | 44 | 87% | 0.872 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.1 | -6.2 | 176.9 | -59.4 | -41.1 | 0 | 0 | 0 | 113.2 | L65 | L65-D67 PolarHBondContact O-N 3.04Š|
| 68 | A | 88.8 | Confident | 90.2 | Very high | 31 Ų | 31 | 45.7 Ų | 45.7 | 26% | 0.256 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 137.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | L64 L65 | L64-A68 WeakPolarHBondContact CA-O 3.1Å; L65-A68 PolarHBondContact N-O 2.9Å; L65-A68 WeakPolarHBondContact O-CB 3.06Å; L65-A68 PolarHBondContact O-N 3.22Å; L65-A68 VanDerWaalsContact O-N 3.08Å |
| 69 | R | 92.3 | Very high | 90.3 | Very high | 142 Ų | 142 | 46.6 Ų | 46.6 | 54% | 0.536 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 127.3 | 171.6 | -69 | 177.4 | 170.8 | 172.8 | -4 | 110 | E44 F62 L64 | E44-R69 IonicContact OE1-CZ 3.47Å; E44-R69 IonicContact OE1-NE 2.76Å; E44-R69 IonicContact OE1-NH2 2.8Å; E44-R69 PolarHBondContact OE1-NH2 2.96Å; E44-R69 IonicContact OE2-CZ 2.94Å; E44-R69 IonicContact OE2-NE 3.2Å; E44-R69 PolarHBondContact OE2-NE 3.1Å; E44-R69 IonicContact OE2-NH2 2.7Å; E44-R69 PolarHBondContact OE2-NH2 2.9Å; F62-R69 HydrophobicContact CB-CB 4.24Å; F62-R69 HydrophobicContact CB-CG 4.45Å; F62-R69 HydrophobicContact CD1-CB 4.22Å; F62-R69 HydrophobicContact CG-CB 4.11Å; F62-R69 HydrophobicContact CG-CG 4.41Å; L64-R69 HydrophobicContact CD2-CG 3.78Å |
| 70 | V | 89.3 | Confident | 90.5 | Very high | 16 Ų | 16 | 46.9 Ų | 46.9 | 10% | 0.097 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 121.4 | 177.1 | -172.8 | 0 | 0 | 0 | 0 | 108.6 | F62 C63 A74 F76 C85 | F62-V70 WeakPolarHBondContact CA-O 3.38Å; C63-V70 HydrophobicContact CB-CB 4.33Å; C63-V70 PolarHBondContact N-O 3.28Å; C63-V70 PolarHBondContact O-N 3.43Å; V70-A74 HydrophobicContact CG1-CB 4.01Å; V70-F76 HydrophobicContact CB-CE1 4.38Å; V70-F76 HydrophobicContact CG1-CD1 3.85Å; V70-F76 HydrophobicContact CG1-CE1 3.89Å; V70-F76 HydrophobicContact CG2-CD1 4.05Å; V70-F76 HydrophobicContact CG2-CE1 3.83Å; V70-C85 HydrophobicContact CB-CB 4.06Å; V70-C85 HydrophobicContact CG1-CB 3.63Å |
| 71 | E | 89.8 | Confident | 90.8 | Very high | 72 Ų | 72 | 47.4 Ų | 47.4 | 34% | 0.336 | 29% | 0.286 | S | S | . | . | trans | -69.1 | 150 | -180 | -43.9 | -162 | 151.9 | 0 | 0 | 111.6 | F62 G73 A74 C85 R249 | F62-E71 HydrophobicContact CD1-CB 4.49Å; F62-E71 HydrophobicContact CD1-CG 4.22Å; F62-E71 HydrophobicContact CE1-CB 4.45Å; F62-E71 HydrophobicContact CE1-CG 3.92Å; E71-G73 PolarHBondContact O-N 2.93Å; E71-A74 HydrophobicContact CB-CB 4.08Å; E71-A74 WeakPolarHBondContact O-CB 3.39Å; E71-A74 PolarHBondContact O-N 2.79Å; E71-C85 WeakPolarHBondContact O-CB 3.37Å; E71-R249 IonicContact OE1-CZ 3.22Å; E71-R249 IonicContact OE1-NE 2.96Å; E71-R249 PolarHBondContact OE1-NE 3.45Å; E71-R249 IonicContact OE1-NH1 3.81Å; E71-R249 PolarHBondContact OE1-NH1 3Å; E71-R249 IonicContact OE1-NH2 2.98Å; E71-R249 PolarHBondContact OE1-NH2 3.28Å | ||
| 72 | P | 87.5 | Confident | 91 | Very high | 48 Ų | 48 | 46.9 Ų | 46.9 | 31% | 0.312 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | 129.1 | 173.1 | -21.8 | 31.8 | 0 | 0 | 0 | 111 | I61 A74 M92 | I61-P72 VanDerWaalsContact O-CD 3.25Å; I61-P72 WeakPolarHBondContact O-CD 3.27Å; P72-A74 PolarHBondContact O-N 2.77Å; P72-M92 HydrophobicContact CB-SD 4.34Å; P72-M92 HydrophobicContact CG-SD 3.77Å |
| 73 | G | 85.2 | Confident | 91 | Very high | 27 Ų | 27 | 48.5 Ų | 48.5 | 28% | 0.278 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 82.1 | -12.3 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | E71 C85 | E71-G73 PolarHBondContact O-N 2.93Å; G73-C85 PolarHBondContact N-O 2.89Å |
| 74 | A | 87.3 | Confident | 91 | Very high | 36 Ų | 36 | 49.2 Ų | 49.2 | 30% | 0.298 | 29% | 0.291 | S | S | . | . | trans | -74.7 | 135.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | V70 E71 P72 M84 C85 | V70-A74 HydrophobicContact CG1-CB 4.01Å; E71-A74 HydrophobicContact CB-CB 4.08Å; E71-A74 WeakPolarHBondContact O-CB 3.39Å; E71-A74 PolarHBondContact O-N 2.79Å; P72-A74 PolarHBondContact O-N 2.77Å; A74-M84 WeakPolarHBondContact O-CA 3.49Å; A74-M84 WeakPolarHBondContact O-CG 3.45Å; A74-C85 PolarHBondContact O-N 3.03Å | ||
| 75 | G | 87.6 | Confident | 90.9 | Very high | 21 Ų | 21 | 48.1 Ų | 48.1 | 22% | 0.216 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 158.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y83 | G75-Y83 CarbonylContact C-O 3.56Å; G75-Y83 WeakPolarHBondContact CA-O 3.19Å |
| 76 | F | 89.8 | Confident | 90.8 | Very high | 22 Ų | 22 | 46.2 Ų | 46.2 | 10% | 0.096 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.3 | 152.9 | -179.5 | 58.9 | -87 | 0 | 0 | 0 | 109.9 | L65 V70 M78 Y83 I94 | L65-F76 HydrophobicContact CD2-CD2 4.22Å; L65-F76 HydrophobicContact CD2-CE2 3.55Å; L65-F76 HydrophobicContact CD2-CZ 3.86Å; V70-F76 HydrophobicContact CB-CE1 4.38Å; V70-F76 HydrophobicContact CG1-CD1 3.85Å; V70-F76 HydrophobicContact CG1-CE1 3.89Å; V70-F76 HydrophobicContact CG2-CD1 4.05Å; V70-F76 HydrophobicContact CG2-CE1 3.83Å; F76-M78 HydrophobicContact CE2-CE 4.23Å; F76-Y83 HydrophobicContact CE2-CD2 4.24Å; F76-Y83 HydrophobicContact CE2-CG 4.14Å; F76-Y83 HydrophobicContact CZ-CG 4.28Å; F76-Y83 PolarHBondContact N-O 2.95Å; F76-Y83 PolarHBondContact O-N 2.92Å; F76-I94 HydrophobicContact CE1-CG2 4.22Å; F76-I94 HydrophobicContact CZ-CD1 4.17Å; F76-I94 HydrophobicContact CZ-CG2 3.65Å |
| 77 | A | 92.3 | Very high | 90.4 | Very high | 39 Ų | 39 | 47.9 Ų | 47.9 | 32% | 0.322 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 140.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | Y82 A100 | A77-Y82 HydrophobicContact CB-CD2 4.34Å; A77-A100 HydrophobicContact CB-CB 3.54Å |
| 78 | M | 89.8 | Confident | 89.8 | Confident | 63 Ų | 63 | 44 Ų | 44 | 31% | 0.31 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 106 | 166.4 | -179.7 | -175.9 | -64.5 | 0 | 0 | 108.1 | L65 F76 K80 L81 Y83 F166 | L65-M78 HydrophobicContact CD1-CE 3.8Å; L65-M78 HydrophobicContact CD2-CE 3.48Å; L65-M78 VanDerWaalsContact CD2-CE 3.48Å; L65-M78 HydrophobicContact CG-CE 4.15Å; F76-M78 HydrophobicContact CE2-CE 4.23Å; M78-K80 PolarHBondContact O-N 3.16Å; M78-L81 PolarHBondContact N-O 3.42Å; M78-L81 PolarHBondContact O-N 2.04Å; M78-Y83 HydrophobicContact CB-CD2 3.89Å; M78-Y83 HydrophobicContact CB-CE2 3.78Å; M78-F166 HydrophobicContact CG-CD1 4.44Å; M78-F166 HydrophobicContact CG-CE1 4.1Å |
| 79 | G | 92.4 | Very high | 88.9 | Confident | 30 Ų | 30 | 51.6 Ų | 51.6 | 31% | 0.309 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63.2 | -131.2 | -173.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | L81 F115 | G79-L81 VanDerWaalsContact C-N 3.25Å; G79-L81 PolarHBondContact O-N 2.9Å; G79-F115 WeakPolarHBondContact O-CE2 3.42Å |
| 80 | K | 95.7 | Very high | 87.8 | Confident | 49 Ų | 49 | 46.3 Ų | 46.3 | 21% | 0.213 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.7 | -3 | -179.6 | -58.6 | 175.6 | 179.1 | -179.2 | 0 | 113.2 | M78 C99 A100 Y113 F115 L120 A131 E160 | M78-K80 PolarHBondContact O-N 3.16Å; K80-C99 CarbonylContact O-C 3.55Å; K80-C99 VanDerWaalsContact O-CA 3.3Å; K80-C99 WeakPolarHBondContact O-CA 3.48Å; K80-C99 WeakPolarHBondContact O-CB 3.07Å; K80-A100 PolarHBondContact O-N 3.46Å; K80-Y113 PolarHBondContact O-OH 3.06Å; K80-F115 HydrophobicContact CG-CD1 4.27Å; K80-F115 HydrophobicContact CG-CE1 4.19Å; K80-F115 HydrophobicContact CG-CE2 4.42Å; K80-F115 HydrophobicContact CG-CG 4.43Å; K80-F115 HydrophobicContact CG-CZ 4.26Å; K80-L120 HydrophobicContact CB-CD1 4.46Å; K80-L120 HydrophobicContact CD-CD1 3.81Å; K80-L120 HydrophobicContact CG-CD1 4.06Å; K80-A131 HydrophobicContact CB-CB 3.67Å; K80-A131 HydrophobicContact CD-CB 4.18Å; K80-A131 HydrophobicContact CG-CB 4.5Å; K80-E160 IonicContact NZ-OE1 3.98Å |
| 81 | L | 96.5 | Very high | 87.4 | Confident | 34 Ų | 34 | 50.3 Ų | 50.3 | 18% | 0.178 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 146.2 | -173.4 | -64.2 | -178.6 | 0 | 0 | 0 | 111.8 | M78 G79 Y83 A100 I129 | M78-L81 PolarHBondContact N-O 3.42Å; M78-L81 PolarHBondContact O-N 2.04Å; G79-L81 VanDerWaalsContact C-N 3.25Å; G79-L81 PolarHBondContact O-N 2.9Å; L81-Y83 HydrophobicContact CB-CD2 4.27Å; L81-Y83 HydrophobicContact CB-CE2 3.52Å; L81-Y83 WeakPolarHBondContact CD1-OH 3.36Å; L81-A100 WeakPolarHBondContact O-CB 3.29Å; L81-I129 HydrophobicContact CD2-CG2 4.02Å |
| 82 | Y | 96.5 | Very high | 87.3 | Confident | 27 Ų | 27 | 47.4 Ų | 47.4 | 11% | 0.106 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 121.1 | 175.2 | -165.8 | -82.4 | 0 | 0 | 0 | 109.3 | A77 A96 I97 G98 C99 A100 G104 R106 | A77-Y82 HydrophobicContact CB-CD2 4.34Å; Y82-A96 WeakPolarHBondContact O-CA 3.26Å; Y82-I97 HydrophobicContact CD1-CD1 3.97Å; Y82-I97 HydrophobicContact CD1-CG1 3.79Å; Y82-I97 HydrophobicContact CE1-CD1 4.08Å; Y82-I97 HydrophobicContact CE1-CG1 4.4Å; Y82-I97 PolarHBondContact O-N 2.8Å; Y82-G98 PolarHBondContact N-O 3.14Å; Y82-G98 PolarHBondContact O-N 3.47Å; Y82-C99 WeakPolarHBondContact CB-O 3.49Å; Y82-A100 HydrophobicContact CD2-CB 4.43Å; Y82-G104 VanDerWaalsContact CE2-O 3.31Å; Y82-G104 WeakPolarHBondContact CE2-O 3.4Å; Y82-R106 HydrophobicContact CD1-CB 3.9Å; Y82-R106 HydrophobicContact CD1-CG 3.82Å; Y82-R106 HydrophobicContact CD2-CB 3.74Å; Y82-R106 HydrophobicContact CD2-CG 4.39Å; Y82-R106 HydrophobicContact CE1-CB 4.04Å; Y82-R106 HydrophobicContact CE1-CG 4.27Å; Y82-R106 HydrophobicContact CE2-CB 3.9Å; Y82-R106 HydrophobicContact CG-CB 3.74Å; Y82-R106 HydrophobicContact CG-CG 3.87Å |
| 83 | Y | 93.5 | Very high | 87.4 | Confident | 56 Ų | 56 | 46.4 Ų | 46.4 | 22% | 0.22 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 160.1 | -176.8 | -65.8 | -95.2 | 0 | 0 | 0 | 110.9 | G75 F76 M78 L81 I94 R95 A96 | G75-Y83 CarbonylContact C-O 3.56Å; G75-Y83 WeakPolarHBondContact CA-O 3.19Å; F76-Y83 HydrophobicContact CE2-CD2 4.24Å; F76-Y83 HydrophobicContact CE2-CG 4.14Å; F76-Y83 HydrophobicContact CZ-CG 4.28Å; F76-Y83 PolarHBondContact N-O 2.95Å; F76-Y83 PolarHBondContact O-N 2.92Å; M78-Y83 HydrophobicContact CB-CD2 3.89Å; M78-Y83 HydrophobicContact CB-CE2 3.78Å; L81-Y83 HydrophobicContact CB-CD2 4.27Å; L81-Y83 HydrophobicContact CB-CE2 3.52Å; L81-Y83 WeakPolarHBondContact CD1-OH 3.36Å; Y83-I94 HydrophobicContact CD1-CG2 3.81Å; Y83-I94 HydrophobicContact CG-CG2 4.2Å; Y83-R95 CarbonylContact C-O 3.42Å; Y83-R95 VanDerWaalsContact CA-O 3.29Å; Y83-R95 WeakPolarHBondContact CA-O 3.44Å; Y83-A96 HydrophobicContact CD1-CB 4.15Å; Y83-A96 HydrophobicContact CE1-CB 3.99Å |
| 84 | M | 92.9 | Very high | 87.7 | Confident | 16 Ų | 16 | 47.5 Ų | 47.5 | 8% | 0.079 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 139.8 | 172.1 | -176.9 | 174.7 | 76.1 | 0 | 0 | 109.6 | A74 S86 I94 R95 I97 | A74-M84 WeakPolarHBondContact O-CA 3.49Å; A74-M84 WeakPolarHBondContact O-CG 3.45Å; M84-S86 PolarHBondContact O-N 2.92Å; M84-S86 VanDerWaalsContact O-N 3.16Å; M84-I94 WeakPolarHBondContact O-CA 3.33Å; M84-R95 PolarHBondContact N-O 3.16Å; M84-R95 PolarHBondContact O-N 2.8Å; M84-I97 HydrophobicContact CB-CD1 3.49Å; M84-I97 VanDerWaalsContact CB-CD1 3.49Å; M84-I97 HydrophobicContact CB-CG1 3.94Å; M84-I97 HydrophobicContact CB-CG2 4.04Å; M84-I97 HydrophobicContact CE-CD1 4.15Å; M84-I97 HydrophobicContact CE-CG2 4.18Å; M84-I97 HydrophobicContact CG-CD1 4.16Å; M84-I97 HydrophobicContact SD-CD1 3.7Å |
| 85 | C | 91.4 | Very high | 87.9 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 103.9 | 164.6 | -179.9 | 0 | 0 | 0 | 0 | 107.6 | C63 V70 E71 G73 A74 | C63-C85 HydrophobicContact CB-CB 3.58Å; C63-C85 WeakPolarHBondContact CB-SG 3.08Å; C63-C85 PolarHBondContact N-SG 2.88Å; C63-C85 WeakPolarHBondContact SG-CA 3.41Å; C63-C85 WeakPolarHBondContact SG-CB 3.47Å; C63-C85 CovalentContact SG-SG 2.03Å; C63-C85 PolarHBondContact SG-SG 2.05Å; V70-C85 HydrophobicContact CB-CB 4.06Å; V70-C85 HydrophobicContact CG1-CB 3.63Å; E71-C85 WeakPolarHBondContact O-CB 3.37Å; G73-C85 PolarHBondContact N-O 2.89Å; A74-C85 PolarHBondContact O-N 3.03Å |
| 86 | S | 87.1 | Confident | 88.2 | Confident | 10 Ų | 10 | 51.2 Ų | 51.2 | 7% | 0.07 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 142 | -175.2 | -161.9 | 0 | 0 | 0 | 0 | 111.8 | M84 M92 G93 R95 | M84-S86 PolarHBondContact O-N 2.92Å; M84-S86 VanDerWaalsContact O-N 3.16Å; S86-M92 CarbonylContact O-C 3.43Å; S86-M92 VanDerWaalsContact O-CA 3.22Å; S86-M92 WeakPolarHBondContact O-CA 3.27Å; S86-G93 PolarHBondContact N-O 2.9Å; S86-G93 PolarHBondContact O-N 2.85Å; S86-R95 PolarHBondContact OG-NE 2.87Å; S86-R95 PolarHBondContact OG-NH2 3.28Å |
| 87 | L | 81.5 | Confident | 88.4 | Confident | 104 Ų | 104 | 51.1 Ų | 51.1 | 55% | 0.545 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 122.7 | 169.3 | -171.8 | 70.2 | 0 | 0 | 0 | 108.8 | P60 M92 | P60-L87 HydrophobicContact CG-CD1 3.96Å; L87-M92 HydrophobicContact CD1-CB 3.96Å; L87-M92 HydrophobicContact CD1-CG 4.39Å |
| 88 | D | 79.7 | Confident | 88.6 | Confident | 80 Ų | 80 | 49.2 Ų | 49.2 | 43% | 0.428 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 114.6 | -177.7 | -169.4 | 7.9 | 0 | 0 | 0 | 110.8 | S90 N91 R95 | D88-S90 PolarHBondContact O-N 3.27Å; D88-N91 PolarHBondContact N-O 3.08Å; D88-N91 PolarHBondContact O-N 3.29Å; D88-R95 IonicContact OD2-NH1 3.15Å; D88-R95 PolarHBondContact OD2-NH1 2.9Å |
| 89 | E | 69.5 | Low | 89 | Confident | 192 Ų | 192 | 46.2 Ų | 46.2 | 90% | 0.897 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 47.7 | -53.2 | -177 | -65.8 | -175.3 | 167.7 | 0 | 0 | 117.2 | ||
| 90 | S | 69.4 | Low | 89.2 | Confident | 30 Ų | 30 | 44.8 Ų | 44.8 | 21% | 0.21 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -152.3 | 3.5 | 171.8 | 55.4 | 0 | 0 | 0 | 0 | 114.3 | M1 D88 | M1-S90 WeakPolarHBondContact CA-OG 3.41Å; M1-S90 PolarHBondContact N-OG 2.99Å; D88-S90 PolarHBondContact O-N 3.27Å |
| 91 | N | 79.9 | Confident | 89.2 | Confident | 101 Ų | 101 | 43.8 Ų | 43.8 | 54% | 0.54 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 131.9 | -176.1 | -64.7 | -37.7 | 0 | 0 | 0 | 109.3 | D88 | D88-N91 PolarHBondContact N-O 3.08Å; D88-N91 PolarHBondContact O-N 3.29Å |
| 92 | M | 87.4 | Confident | 89.1 | Confident | 11 Ų | 11 | 46 Ų | 46 | 5% | 0.054 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 146.5 | 166.7 | -166 | 171.2 | 68.5 | 0 | 0 | 108.6 | I43 P60 F62 P72 S86 L87 | I43-M92 HydrophobicContact CB-CE 4.39Å; I43-M92 WeakPolarHBondContact CD1-O 3.23Å; I43-M92 HydrophobicContact CG1-CE 4.49Å; I43-M92 HydrophobicContact CG2-CE 3.34Å; P60-M92 HydrophobicContact CB-CB 3.75Å; P60-M92 HydrophobicContact CB-CE 3.52Å; P60-M92 HydrophobicContact CB-CG 4.44Å; P60-M92 HydrophobicContact CB-SD 3.88Å; P60-M92 HydrophobicContact CG-CB 4.16Å; F62-M92 WeakPolarHBondContact O-CE 3.36Å; P72-M92 HydrophobicContact CB-SD 4.34Å; P72-M92 HydrophobicContact CG-SD 3.77Å; S86-M92 CarbonylContact O-C 3.43Å; S86-M92 VanDerWaalsContact O-CA 3.22Å; S86-M92 WeakPolarHBondContact O-CA 3.27Å; L87-M92 HydrophobicContact CD1-CB 3.96Å; L87-M92 HydrophobicContact CD1-CG 4.39Å |
| 93 | G | 91.2 | Very high | 89 | Confident | 26 Ų | 26 | 50.2 Ų | 50.2 | 27% | 0.268 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -177.9 | 161.3 | 176 | 0 | 0 | 0 | 0 | 0 | 113.1 | C63 S86 | C63-G93 VanDerWaalsContact SG-C 3.57Å; S86-G93 PolarHBondContact N-O 2.9Å; S86-G93 PolarHBondContact O-N 2.85Å |
| 94 | I | 90.3 | Very high | 89 | Confident | 50 Ų | 50 | 48.2 Ų | 48.2 | 26% | 0.256 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 122.7 | 174.3 | -60.6 | 179.3 | 0 | 0 | 0 | 108.1 | C63 L65 F76 Y83 M84 | C63-I94 HydrophobicContact CB-CD1 3.97Å; C63-I94 HydrophobicContact CB-CG1 3.5Å; L65-I94 HydrophobicContact CB-CD1 3.99Å; L65-I94 HydrophobicContact CD1-CD1 4.28Å; F76-I94 HydrophobicContact CE1-CG2 4.22Å; F76-I94 HydrophobicContact CZ-CD1 4.17Å; F76-I94 HydrophobicContact CZ-CG2 3.65Å; Y83-I94 HydrophobicContact CD1-CG2 3.81Å; Y83-I94 HydrophobicContact CG-CG2 4.2Å; M84-I94 WeakPolarHBondContact O-CA 3.33Å |
| 95 | R | 92.4 | Very high | 89.1 | Confident | 103 Ų | 103 | 53.1 Ų | 53.1 | 39% | 0.389 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 144.8 | 176.7 | 64.5 | -172.4 | -173.5 | -161.1 | 8.3 | 111.5 | Y83 M84 S86 D88 I97 | Y83-R95 CarbonylContact C-O 3.42Å; Y83-R95 VanDerWaalsContact CA-O 3.29Å; Y83-R95 WeakPolarHBondContact CA-O 3.44Å; M84-R95 PolarHBondContact N-O 3.16Å; M84-R95 PolarHBondContact O-N 2.8Å; S86-R95 PolarHBondContact OG-NE 2.87Å; S86-R95 PolarHBondContact OG-NH2 3.28Å; D88-R95 IonicContact OD2-NH1 3.15Å; D88-R95 PolarHBondContact OD2-NH1 2.9Å; R95-I97 HydrophobicContact CG-CG2 3.91Å; R95-I97 PolarHBondContact O-N 2.84Å |
| 96 | A | 94 | Very high | 89.3 | Confident | 32 Ų | 32 | 59 Ų | 59 | 26% | 0.264 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.1 | 130.1 | 169.4 | 0 | 0 | 0 | 0 | 0 | 108.9 | Y82 Y83 I129 | Y82-A96 WeakPolarHBondContact O-CA 3.26Å; Y83-A96 HydrophobicContact CD1-CB 4.15Å; Y83-A96 HydrophobicContact CE1-CB 3.99Å; A96-I129 HydrophobicContact CB-CB 4.2Å; A96-I129 HydrophobicContact CB-CD1 4.48Å; A96-I129 WeakPolarHBondContact O-CD1 3.48Å |
| 97 | I | 94 | Very high | 89.7 | Confident | 20 Ų | 20 | 59 Ų | 59 | 10% | 0.103 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 0.1 | 178.8 | 63.4 | 161.7 | 0 | 0 | 0 | 113.3 | Y82 M84 R95 R106 | Y82-I97 HydrophobicContact CD1-CD1 3.97Å; Y82-I97 HydrophobicContact CD1-CG1 3.79Å; Y82-I97 HydrophobicContact CE1-CD1 4.08Å; Y82-I97 HydrophobicContact CE1-CG1 4.4Å; Y82-I97 PolarHBondContact O-N 2.8Å; M84-I97 HydrophobicContact CB-CD1 3.49Å; M84-I97 VanDerWaalsContact CB-CD1 3.49Å; M84-I97 HydrophobicContact CB-CG1 3.94Å; M84-I97 HydrophobicContact CB-CG2 4.04Å; M84-I97 HydrophobicContact CE-CD1 4.15Å; M84-I97 HydrophobicContact CE-CG2 4.18Å; M84-I97 HydrophobicContact CG-CD1 4.16Å; M84-I97 HydrophobicContact SD-CD1 3.7Å; R95-I97 HydrophobicContact CG-CG2 3.91Å; R95-I97 PolarHBondContact O-N 2.84Å; I97-R106 PolarHBondContact O-NE 3.39Å; I97-R106 PolarHBondContact O-NH2 3.24Å |
| 98 | G | 96.1 | Very high | 90.4 | Very high | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -179.1 | -170.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | Y82 V107 | Y82-G98 PolarHBondContact N-O 3.14Å; Y82-G98 PolarHBondContact O-N 3.47Å; G98-V107 CarbonylContact C-O 3.58Å; G98-V107 VanDerWaalsContact CA-O 3.26Å; G98-V107 WeakPolarHBondContact CA-O 3.39Å |
| 99 | C | 98.1 | Very high | 91.2 | Very high | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 165.6 | 168.9 | -55.5 | 0 | 0 | 0 | 0 | 109.6 | K80 Y82 V107 Y113 C122 | K80-C99 CarbonylContact O-C 3.55Å; K80-C99 VanDerWaalsContact O-CA 3.3Å; K80-C99 WeakPolarHBondContact O-CA 3.48Å; K80-C99 WeakPolarHBondContact O-CB 3.07Å; Y82-C99 WeakPolarHBondContact CB-O 3.49Å; C99-V107 HydrophobicContact CB-CB 4.21Å; C99-V107 PolarHBondContact N-O 3.45Å; C99-V107 PolarHBondContact O-N 2.86Å; C99-Y113 HydrophobicContact CB-CD1 4.39Å; C99-Y113 HydrophobicContact CB-CE1 3.51Å; C99-Y113 HydrophobicContact CB-CE2 4.35Å; C99-Y113 VanDerWaalsContact CB-CZ 3.49Å; C99-Y113 WeakPolarHBondContact CB-OH 3.48Å; C99-C122 HydrophobicContact CB-CB 3.66Å; C99-C122 WeakPolarHBondContact CB-SG 3.47Å; C99-C122 PolarHBondContact N-SG 3.29Å; C99-C122 WeakPolarHBondContact SG-CA 3.12Å; C99-C122 WeakPolarHBondContact SG-CB 3.3Å; C99-C122 CovalentContact SG-SG 2.04Å; C99-C122 PolarHBondContact SG-SG 2.68Å |
| 100 | A | 96.3 | Very high | 92.5 | Very high | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 137 | -179.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | A77 K80 L81 Y82 K105 Y113 F115 | A77-A100 HydrophobicContact CB-CB 3.54Å; K80-A100 PolarHBondContact O-N 3.46Å; L81-A100 WeakPolarHBondContact O-CB 3.29Å; Y82-A100 HydrophobicContact CD2-CB 4.43Å; A100-K105 WeakPolarHBondContact CA-O 3Å; A100-Y113 WeakPolarHBondContact O-CE2 3.39Å; A100-F115 VanDerWaalsContact O-CD2 3.25Å; A100-F115 WeakPolarHBondContact O-CD2 3.39Å |
| 101 | T | 96 | Very high | 93.9 | Very high | 28 Ų | 28 | 54.3 Ų | 54.3 | 17% | 0.172 | 29% | 0.294 | C | S | . | . | trans | -74.9 | 170.1 | 165 | 69 | 0 | 0 | 0 | 0 | 110.5 | D103 G104 K105 V107 Y113 | T101-D103 PolarHBondContact O-N 2.72Å; T101-G104 WeakPolarHBondContact O-CA 3.49Å; T101-G104 PolarHBondContact O-N 2.94Å; T101-K105 HydrophobicContact CG2-CB 4.36Å; T101-K105 PolarHBondContact N-O 2.9Å; T101-K105 WeakPolarHBondContact OG1-CB 3.5Å; T101-K105 PolarHBondContact OG1-N 3.47Å; T101-V107 HydrophobicContact CG2-CG2 3.59Å; T101-Y113 HydrophobicContact CG2-CD2 4.26Å | ||
| 102 | V | 93.5 | Very high | 94.7 | Very high | 79 Ų | 79 | 56 Ų | 56 | 48% | 0.479 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.4 | -39.4 | 174.9 | -176 | 0 | 0 | 0 | 0 | 111.7 | G104 F115 N116 | V102-G104 PolarHBondContact O-N 2.91Å; V102-G104 VanDerWaalsContact O-N 3.1Å; V102-F115 HydrophobicContact CG2-CD1 4.5Å; V102-F115 HydrophobicContact CG2-CD2 4.11Å; V102-F115 HydrophobicContact CG2-CE2 4.39Å; V102-F115 HydrophobicContact CG2-CG 4.17Å; V102-N116 WeakPolarHBondContact CG2-OD1 3.31Å |
| 103 | D | 94.5 | Very high | 95.1 | Very high | 116 Ų | 116 | 56.2 Ų | 56.2 | 62% | 0.62 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.1 | 7.1 | 177.8 | -49 | -33.1 | 0 | 0 | 0 | 113.9 | T101 K105 | T101-D103 PolarHBondContact O-N 2.72Å; D103-K105 VanDerWaalsContact C-N 3.32Å; D103-K105 HydrophobicContact CB-CG 4.49Å; D103-K105 PolarHBondContact O-N 2.7Å |
| 104 | G | 93 | Very high | 95.3 | Very high | 15 Ų | 15 | 61.9 Ų | 61.9 | 16% | 0.155 | 31% | 0.31 | C | S | . | . | trans | 75.7 | 13.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | Y82 T101 V102 | Y82-G104 VanDerWaalsContact CE2-O 3.31Å; Y82-G104 WeakPolarHBondContact CE2-O 3.4Å; T101-G104 WeakPolarHBondContact O-CA 3.49Å; T101-G104 PolarHBondContact O-N 2.94Å; V102-G104 PolarHBondContact O-N 2.91Å; V102-G104 VanDerWaalsContact O-N 3.1Å | ||
| 105 | K | 95.2 | Very high | 95.5 | Very high | 118 Ų | 118 | 60.5 Ų | 60.5 | 51% | 0.513 | 30% | 0.303 | S | S | . | . | trans | -77.7 | 141.3 | 178.2 | -61.4 | 179.6 | -177 | 168.1 | 0 | 110.9 | A100 T101 D103 | A100-K105 WeakPolarHBondContact CA-O 3Å; T101-K105 HydrophobicContact CG2-CB 4.36Å; T101-K105 PolarHBondContact N-O 2.9Å; T101-K105 WeakPolarHBondContact OG1-CB 3.5Å; T101-K105 PolarHBondContact OG1-N 3.47Å; D103-K105 VanDerWaalsContact C-N 3.32Å; D103-K105 HydrophobicContact CB-CG 4.49Å; D103-K105 PolarHBondContact O-N 2.7Å | ||
| 106 | R | 96.1 | Very high | 95.4 | Very high | 123 Ų | 123 | 60 Ų | 60 | 46% | 0.464 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 131.7 | 175.5 | -176.1 | -179.2 | 173.8 | -161 | -1.4 | 111.5 | Y82 I97 | Y82-R106 HydrophobicContact CD1-CB 3.9Å; Y82-R106 HydrophobicContact CD1-CG 3.82Å; Y82-R106 HydrophobicContact CD2-CB 3.74Å; Y82-R106 HydrophobicContact CD2-CG 4.39Å; Y82-R106 HydrophobicContact CE1-CB 4.04Å; Y82-R106 HydrophobicContact CE1-CG 4.27Å; Y82-R106 HydrophobicContact CE2-CB 3.9Å; Y82-R106 HydrophobicContact CG-CB 3.74Å; Y82-R106 HydrophobicContact CG-CG 3.87Å; I97-R106 PolarHBondContact O-NE 3.39Å; I97-R106 PolarHBondContact O-NH2 3.24Å |
| 107 | V | 96.5 | Very high | 95.1 | Very high | 10 Ų | 10 | 63.5 Ų | 63.5 | 6% | 0.061 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 131.5 | 170 | -179.3 | 0 | 0 | 0 | 0 | 108.3 | G98 C99 T101 Q111 Y113 C122 | G98-V107 CarbonylContact C-O 3.58Å; G98-V107 VanDerWaalsContact CA-O 3.26Å; G98-V107 WeakPolarHBondContact CA-O 3.39Å; C99-V107 HydrophobicContact CB-CB 4.21Å; C99-V107 PolarHBondContact N-O 3.45Å; C99-V107 PolarHBondContact O-N 2.86Å; T101-V107 HydrophobicContact CG2-CG2 3.59Å; V107-Q111 HydrophobicContact CG1-CB 3.65Å; V107-Y113 HydrophobicContact CB-CD1 4.22Å; V107-Y113 HydrophobicContact CB-CG 4.26Å; V107-Y113 HydrophobicContact CG1-CD1 3.72Å; V107-Y113 HydrophobicContact CG1-CE1 4.46Å; V107-Y113 HydrophobicContact CG1-CG 4.01Å; V107-Y113 HydrophobicContact CG2-CD1 4.22Å; V107-Y113 HydrophobicContact CG2-CD2 4.05Å; V107-Y113 HydrophobicContact CG2-CG 3.75Å; V107-C122 HydrophobicContact CG1-CB 4.11Å |
| 108 | Q | 96.5 | Very high | 95.1 | Very high | 115 Ų | 115 | 62.8 Ų | 62.8 | 54% | 0.537 | 32% | 0.318 | S | S | . | . | trans | -78.4 | 150.2 | -179.3 | -59.4 | -170.2 | 28.1 | 0 | 0 | 111.2 | G110 Q111 | Q108-G110 PolarHBondContact O-N 2.84Å; Q108-Q111 HydrophobicContact CB-CG 4.34Å; Q108-Q111 WeakPolarHBondContact O-CB 3Å; Q108-Q111 PolarHBondContact O-N 3.35Å; Q108-Q111 VanDerWaalsContact O-N 3.14Å | ||
| 109 | P | 96.2 | Very high | 95.1 | Very high | 51 Ų | 51 | 63 Ų | 63 | 33% | 0.331 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.8 | 140.1 | 167.7 | -25 | 34.8 | 0 | 0 | 0 | 111.6 | C122 M124 I129 | P109-C122 CarbonylContact C-O 3.51Å; P109-M124 HydrophobicContact CB-CG 4.06Å; P109-M124 HydrophobicContact CG-CG 4.4Å; P109-M124 HydrophobicContact CG-SD 4.32Å; P109-I129 HydrophobicContact CG-CD1 4.16Å; P109-I129 HydrophobicContact CG-CG1 4.41Å |
| 110 | G | 96.6 | Very high | 95.1 | Very high | 54 Ų | 54 | 63 Ų | 63 | 56% | 0.557 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 93.5 | -16.5 | -172.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | Q108 H121 C122 | Q108-G110 PolarHBondContact O-N 2.84Å; G110-H121 VanDerWaalsContact C-NE2 3.33Å; G110-H121 PolarHBondContact O-NE2 3.21Å; G110-C122 PolarHBondContact N-O 2.7Å |
| 111 | Q | 98.1 | Very high | 95.1 | Very high | 88 Ų | 88 | 65.6 Ų | 65.6 | 41% | 0.411 | 33% | 0.332 | S | S | . | . | trans | -94.9 | 142.7 | -175.3 | -60.3 | -177 | -46.8 | 0 | 0 | 113.2 | V107 Q108 H121 C122 | V107-Q111 HydrophobicContact CG1-CB 3.65Å; Q108-Q111 HydrophobicContact CB-CG 4.34Å; Q108-Q111 WeakPolarHBondContact O-CB 3Å; Q108-Q111 PolarHBondContact O-N 3.35Å; Q108-Q111 VanDerWaalsContact O-N 3.14Å; Q111-H121 PolarHBondContact O-CD2 3.29Å; Q111-C122 PolarHBondContact O-N 3.24Å | ||
| 112 | K | 97.2 | Very high | 95.2 | Very high | 137 Ų | 137 | 64.3 Ų | 64.3 | 60% | 0.596 | 32% | 0.324 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 145.9 | 167.8 | -62.7 | 178.9 | -178.3 | -179.5 | 0 | 109.8 | L120 I134 I142 | K112-L120 CarbonylContact C-O 3.44Å; K112-L120 VanDerWaalsContact CA-O 3.28Å; K112-L120 WeakPolarHBondContact CA-O 3.14Å; K112-I134 HydrophobicContact CD-CD1 3.72Å; K112-I134 HydrophobicContact CG-CD1 3.95Å; K112-I142 HydrophobicContact CD-CD1 4.5Å |
| 113 | Y | 96.5 | Very high | 95.4 | Very high | 15 Ų | 15 | 64.5 Ų | 64.5 | 6% | 0.059 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.2 | 160.7 | 178.5 | 68.6 | -76.4 | 0 | 0 | 0 | 111.3 | K80 C99 A100 T101 V107 F115 L120 C122 A131 | K80-Y113 PolarHBondContact O-OH 3.06Å; C99-Y113 HydrophobicContact CB-CD1 4.39Å; C99-Y113 HydrophobicContact CB-CE1 3.51Å; C99-Y113 HydrophobicContact CB-CE2 4.35Å; C99-Y113 VanDerWaalsContact CB-CZ 3.49Å; C99-Y113 WeakPolarHBondContact CB-OH 3.48Å; A100-Y113 WeakPolarHBondContact O-CE2 3.39Å; T101-Y113 HydrophobicContact CG2-CD2 4.26Å; V107-Y113 HydrophobicContact CB-CD1 4.22Å; V107-Y113 HydrophobicContact CB-CG 4.26Å; V107-Y113 HydrophobicContact CG1-CD1 3.72Å; V107-Y113 HydrophobicContact CG1-CE1 4.46Å; V107-Y113 HydrophobicContact CG1-CG 4.01Å; V107-Y113 HydrophobicContact CG2-CD1 4.22Å; V107-Y113 HydrophobicContact CG2-CD2 4.05Å; V107-Y113 HydrophobicContact CG2-CG 3.75Å; Y113-F115 HydrophobicContact CE2-CB 4.1Å; Y113-F115 HydrophobicContact CE2-CD2 4.23Å; Y113-L120 HydrophobicContact CD1-CB 4.14Å; Y113-L120 HydrophobicContact CE1-CB 3.59Å; Y113-L120 HydrophobicContact CE2-CB 4.16Å; Y113-L120 HydrophobicContact CE2-CD1 3.91Å; Y113-L120 HydrophobicContact CE2-CG 4.48Å; Y113-L120 PolarHBondContact N-O 3.39Å; Y113-L120 PolarHBondContact O-N 2.75Å; Y113-L120 VanDerWaalsContact OH-CD1 3.31Å; Y113-L120 WeakPolarHBondContact OH-CD1 3.23Å; Y113-C122 HydrophobicContact CD1-CB 4.37Å; Y113-C122 HydrophobicContact CE1-CB 4.03Å; Y113-A131 WeakPolarHBondContact OH-CB 3.5Å |
| 114 | R | 94 | Very high | 95.6 | Very high | 145 Ų | 145 | 63.6 Ų | 63.6 | 55% | 0.547 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 139.1 | 174.5 | -67.7 | -177.2 | -179.1 | 169.3 | -3.9 | 110.6 | S118 D137 | R114-S118 WeakPolarHBondContact CA-O 3.25Å; R114-D137 VanDerWaalsContact CZ-CG 3.46Å; R114-D137 IonicContact CZ-OD1 3.67Å; R114-D137 IonicContact CZ-OD2 3.03Å; R114-D137 VanDerWaalsContact NE-CG 3.29Å; R114-D137 IonicContact NE-OD1 3.94Å; R114-D137 IonicContact NE-OD2 2.68Å; R114-D137 PolarHBondContact NE-OD2 2.83Å; R114-D137 IonicContact NH2-OD1 2.99Å; R114-D137 PolarHBondContact NH2-OD1 3.41Å; R114-D137 IonicContact NH2-OD2 2.67Å; R114-D137 PolarHBondContact NH2-OD2 2.81Å |
| 115 | F | 94.5 | Very high | 95.7 | Very high | 22 Ų | 22 | 64.5 Ų | 64.5 | 10% | 0.096 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 105.7 | 171.3 | -163.4 | -85.9 | 0 | 0 | 0 | 107.8 | G79 K80 A100 V102 Y113 N117 S118 L120 | G79-F115 WeakPolarHBondContact O-CE2 3.42Å; K80-F115 HydrophobicContact CG-CD1 4.27Å; K80-F115 HydrophobicContact CG-CE1 4.19Å; K80-F115 HydrophobicContact CG-CE2 4.42Å; K80-F115 HydrophobicContact CG-CG 4.43Å; K80-F115 HydrophobicContact CG-CZ 4.26Å; A100-F115 VanDerWaalsContact O-CD2 3.25Å; A100-F115 WeakPolarHBondContact O-CD2 3.39Å; V102-F115 HydrophobicContact CG2-CD1 4.5Å; V102-F115 HydrophobicContact CG2-CD2 4.11Å; V102-F115 HydrophobicContact CG2-CE2 4.39Å; V102-F115 HydrophobicContact CG2-CG 4.17Å; Y113-F115 HydrophobicContact CE2-CB 4.1Å; Y113-F115 HydrophobicContact CE2-CD2 4.23Å; F115-N117 PolarHBondContact O-N 2.79Å; F115-S118 PolarHBondContact N-O 3.47Å; F115-S118 WeakPolarHBondContact O-CB 3.42Å; F115-S118 PolarHBondContact O-N 2.78Å; F115-L120 HydrophobicContact CB-CD1 3.54Å; F115-L120 HydrophobicContact CB-CG 4.17Å; F115-L120 HydrophobicContact CG-CD1 4.14Å |
| 116 | N | 90.7 | Very high | 95.7 | Very high | 92 Ų | 92 | 66.8 Ų | 66.8 | 49% | 0.492 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.2 | -127.7 | -163.8 | -55.9 | -30.2 | 0 | 0 | 0 | 110.4 | V102 S118 | V102-N116 WeakPolarHBondContact CG2-OD1 3.31Å; N116-S118 VanDerWaalsContact C-N 3.28Å |
| 117 | N | 88.4 | Confident | 95.4 | Very high | 106 Ų | 106 | 64.2 Ų | 64.2 | 57% | 0.567 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.2 | 1.7 | 179.5 | -62.7 | 4.7 | 0 | 0 | 0 | 112.8 | F115 C136 D137 | F115-N117 PolarHBondContact O-N 2.79Å; N117-C136 WeakPolarHBondContact O-CA 3.32Å; N117-D137 PolarHBondContact O-N 2.79Å; N117-D137 VanDerWaalsContact O-N 3.14Å |
| 118 | S | 93.9 | Very high | 95.3 | Very high | 4 Ų | 4 | 70.9 Ų | 70.9 | 3% | 0.028 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 140.8 | -178.7 | -63.4 | 0 | 0 | 0 | 0 | 111.2 | R114 F115 N116 F133 D161 | R114-S118 WeakPolarHBondContact CA-O 3.25Å; F115-S118 PolarHBondContact N-O 3.47Å; F115-S118 WeakPolarHBondContact O-CB 3.42Å; F115-S118 PolarHBondContact O-N 2.78Å; N116-S118 VanDerWaalsContact C-N 3.28Å; S118-F133 WeakPolarHBondContact OG-CE2 3.4Å; S118-D161 PolarHBondContact OG-OD2 2.78Å |
| 119 | T | 95.9 | Very high | 95.3 | Very high | 6 Ų | 6 | 66.4 Ų | 66.4 | 4% | 0.037 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 126.7 | 163.7 | -55 | 0 | 0 | 0 | 0 | 109.2 | I134 G135 I142 | T119-I134 HydrophobicContact CG2-CD1 3.74Å; T119-I134 HydrophobicContact CG2-CG1 3.85Å; T119-I134 WeakPolarHBondContact O-CG1 3.24Å; T119-I134 PolarHBondContact O-N 3.17Å; T119-G135 PolarHBondContact N-O 2.75Å; T119-G135 PolarHBondContact O-N 2.8Å; T119-I142 HydrophobicContact CG2-CD1 3.81Å; T119-I142 HydrophobicContact CG2-CG1 4.2Å |
| 120 | L | 97.1 | Very high | 95.4 | Very high | 0 Ų | 0 | 66.4 Ų | 66.4 | 0% | 0 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 152.1 | -178.7 | -52.9 | -179.1 | 0 | 0 | 0 | 110 | K80 K112 Y113 F115 A131 V132 F133 | K80-L120 HydrophobicContact CB-CD1 4.46Å; K80-L120 HydrophobicContact CD-CD1 3.81Å; K80-L120 HydrophobicContact CG-CD1 4.06Å; K112-L120 CarbonylContact C-O 3.44Å; K112-L120 VanDerWaalsContact CA-O 3.28Å; K112-L120 WeakPolarHBondContact CA-O 3.14Å; Y113-L120 HydrophobicContact CD1-CB 4.14Å; Y113-L120 HydrophobicContact CE1-CB 3.59Å; Y113-L120 HydrophobicContact CE2-CB 4.16Å; Y113-L120 HydrophobicContact CE2-CD1 3.91Å; Y113-L120 HydrophobicContact CE2-CG 4.48Å; Y113-L120 PolarHBondContact N-O 3.39Å; Y113-L120 PolarHBondContact O-N 2.75Å; Y113-L120 VanDerWaalsContact OH-CD1 3.31Å; Y113-L120 WeakPolarHBondContact OH-CD1 3.23Å; F115-L120 HydrophobicContact CB-CD1 3.54Å; F115-L120 HydrophobicContact CB-CG 4.17Å; F115-L120 HydrophobicContact CG-CD1 4.14Å; L120-A131 HydrophobicContact CD1-CB 4.24Å; L120-V132 CarbonylContact C-O 3.58Å; L120-V132 VanDerWaalsContact CA-O 3.23Å; L120-V132 WeakPolarHBondContact CA-O 3.42Å; L120-F133 HydrophobicContact CD2-CB 3.98Å; L120-F133 HydrophobicContact CD2-CD2 3.88Å; L120-F133 HydrophobicContact CD2-CG 4.38Å |
| 121 | H | 97.8 | Very high | 95.4 | Very high | 54 Ų | 54 | 64.9 Ų | 64.9 | 25% | 0.25 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 122.6 | 168.8 | -171.9 | -158.1 | 0 | 0 | 0 | 109 | G110 Q111 Q123 V132 I134 | G110-H121 VanDerWaalsContact C-NE2 3.33Å; G110-H121 PolarHBondContact O-NE2 3.21Å; Q111-H121 PolarHBondContact O-CD2 3.29Å; H121-Q123 PolarHBondContact O-N 2.72Å; H121-V132 PolarHBondContact N-O 2.76Å; H121-V132 PolarHBondContact O-N 2.91Å; H121-I134 HydrophobicContact CB-CD1 4.49Å; H121-I134 HydrophobicContact CB-CG2 3.85Å |
| 122 | C | 98.3 | Very high | 95.3 | Very high | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 118.3 | 174.8 | -162.9 | 0 | 0 | 0 | 0 | 109.7 | C99 V107 P109 G110 Q111 Y113 | C99-C122 HydrophobicContact CB-CB 3.66Å; C99-C122 WeakPolarHBondContact CB-SG 3.47Å; C99-C122 PolarHBondContact N-SG 3.29Å; C99-C122 WeakPolarHBondContact SG-CA 3.12Å; C99-C122 WeakPolarHBondContact SG-CB 3.3Å; C99-C122 CovalentContact SG-SG 2.04Å; C99-C122 PolarHBondContact SG-SG 2.68Å; V107-C122 HydrophobicContact CG1-CB 4.11Å; P109-C122 CarbonylContact C-O 3.51Å; G110-C122 PolarHBondContact N-O 2.7Å; Q111-C122 PolarHBondContact O-N 3.24Å; Y113-C122 HydrophobicContact CD1-CB 4.37Å; Y113-C122 HydrophobicContact CE1-CB 4.03Å |
| 123 | Q | 97.3 | Very high | 95.3 | Very high | 84 Ų | 84 | 58 Ų | 58 | 39% | 0.393 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 150.9 | -172 | -179.9 | 173.2 | 3.3 | 0 | 0 | 111.9 | H121 I129 V130 V132 | H121-Q123 PolarHBondContact O-N 2.72Å; Q123-I129 WeakPolarHBondContact O-CA 3.47Å; Q123-V130 HydrophobicContact CB-CG2 4.2Å; Q123-V130 PolarHBondContact N-O 2.76Å; Q123-V130 WeakPolarHBondContact O-CG2 3.25Å; Q123-V130 PolarHBondContact O-N 3.2Å; Q123-V132 HydrophobicContact CB-CG2 4.25Å |
| 124 | M | 97.1 | Very high | 95.3 | Very high | 97 Ų | 97 | 59.7 Ų | 59.7 | 48% | 0.478 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 118.8 | 162 | -67.6 | -64.1 | -64.9 | 0 | 0 | 109.2 | P109 K128 I129 | P109-M124 HydrophobicContact CB-CG 4.06Å; P109-M124 HydrophobicContact CG-CG 4.4Å; P109-M124 HydrophobicContact CG-SD 4.32Å; M124-K128 CarbonylContact C-O 3.54Å; M124-K128 VanDerWaalsContact CA-O 3.32Å; M124-K128 WeakPolarHBondContact CA-O 3.02Å; M124-I129 HydrophobicContact CE-CG1 4.45Å; M124-I129 HydrophobicContact SD-CB 4.44Å; M124-I129 HydrophobicContact SD-CD1 4.16Å; M124-I129 HydrophobicContact SD-CG1 3.31Å; M124-I129 WeakPolarHBondContact SD-CG1 3.49Å |
| 125 | A | 95.7 | Very high | 95.4 | Very high | 33 Ų | 33 | 52.8 Ų | 52.8 | 27% | 0.273 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 126.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | G127 K128 V130 | A125-G127 PolarHBondContact O-N 2.94Å; A125-K128 PolarHBondContact N-O 2.77Å; A125-K128 WeakPolarHBondContact O-CA 3.48Å; A125-K128 WeakPolarHBondContact O-CB 3.39Å; A125-K128 PolarHBondContact O-N 3.17Å; A125-K128 VanDerWaalsContact O-O 3.12Å; A125-V130 HydrophobicContact CB-CG1 4.42Å; A125-V130 HydrophobicContact CB-CG2 3.69Å |
| 126 | D | 94.5 | Very high | 95.4 | Very high | 167 Ų | 167 | 52 Ų | 52 | 89% | 0.893 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.7 | 42.1 | -179.1 | -54 | -36.6 | 0 | 0 | 0 | 113.8 | K128 | D126-K128 PolarHBondContact O-N 2.78Š|
| 127 | G | 91.4 | Very high | 95.5 | Very high | 68 Ų | 68 | 49.3 Ų | 49.3 | 70% | 0.701 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.4 | 6.8 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115 | A125 | A125-G127 PolarHBondContact O-N 2.94Š|
| 128 | K | 93.9 | Very high | 95.5 | Very high | 151 Ų | 151 | 46.7 Ų | 46.7 | 66% | 0.657 | 26% | 0.262 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 152.5 | 179.5 | -62 | 178.2 | -176.4 | 176.9 | 0 | 111.1 | M124 A125 D126 | M124-K128 CarbonylContact C-O 3.54Å; M124-K128 VanDerWaalsContact CA-O 3.32Å; M124-K128 WeakPolarHBondContact CA-O 3.02Å; A125-K128 PolarHBondContact N-O 2.77Å; A125-K128 WeakPolarHBondContact O-CA 3.48Å; A125-K128 WeakPolarHBondContact O-CB 3.39Å; A125-K128 PolarHBondContact O-N 3.17Å; A125-K128 VanDerWaalsContact O-O 3.12Å; D126-K128 PolarHBondContact O-N 2.78Å |
| 129 | I | 96.6 | Very high | 95.3 | Very high | 20 Ų | 20 | 49.4 Ų | 49.4 | 10% | 0.103 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 128.2 | 172.8 | -62.8 | 176.5 | 0 | 0 | 0 | 108.9 | L81 A96 P109 Q123 M124 | L81-I129 HydrophobicContact CD2-CG2 4.02Å; A96-I129 HydrophobicContact CB-CB 4.2Å; A96-I129 HydrophobicContact CB-CD1 4.48Å; A96-I129 WeakPolarHBondContact O-CD1 3.48Å; P109-I129 HydrophobicContact CG-CD1 4.16Å; P109-I129 HydrophobicContact CG-CG1 4.41Å; Q123-I129 WeakPolarHBondContact O-CA 3.47Å; M124-I129 HydrophobicContact CE-CG1 4.45Å; M124-I129 HydrophobicContact SD-CB 4.44Å; M124-I129 HydrophobicContact SD-CD1 4.16Å; M124-I129 HydrophobicContact SD-CG1 3.31Å; M124-I129 WeakPolarHBondContact SD-CG1 3.49Å |
| 130 | V | 97 | Very high | 95 | Very high | 51 Ų | 51 | 56.6 Ų | 56.6 | 31% | 0.309 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 148.7 | 178.3 | -63.7 | 0 | 0 | 0 | 0 | 110.4 | Q123 A125 V132 | Q123-V130 HydrophobicContact CB-CG2 4.2Å; Q123-V130 PolarHBondContact N-O 2.76Å; Q123-V130 WeakPolarHBondContact O-CG2 3.25Å; Q123-V130 PolarHBondContact O-N 3.2Å; A125-V130 HydrophobicContact CB-CG1 4.42Å; A125-V130 HydrophobicContact CB-CG2 3.69Å; V130-V132 HydrophobicContact CG2-CG2 3.91Å |
| 131 | A | 97.3 | Very high | 94.8 | Very high | 23 Ų | 23 | 58.2 Ų | 58.2 | 19% | 0.19 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 106 | 171.8 | 0 | 0 | 0 | 0 | 0 | 108.7 | K80 Y113 L120 | K80-A131 HydrophobicContact CB-CB 3.67Å; K80-A131 HydrophobicContact CD-CB 4.18Å; K80-A131 HydrophobicContact CG-CB 4.5Å; Y113-A131 WeakPolarHBondContact OH-CB 3.5Å; L120-A131 HydrophobicContact CD1-CB 4.24Å |
| 132 | V | 96.4 | Very high | 94.6 | Very high | 53 Ų | 53 | 59.1 Ų | 59.1 | 32% | 0.321 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 124.4 | -176.1 | -177.7 | 0 | 0 | 0 | 0 | 109.4 | L120 H121 Q123 V130 I134 | L120-V132 CarbonylContact C-O 3.58Å; L120-V132 VanDerWaalsContact CA-O 3.23Å; L120-V132 WeakPolarHBondContact CA-O 3.42Å; H121-V132 PolarHBondContact N-O 2.76Å; H121-V132 PolarHBondContact O-N 2.91Å; Q123-V132 HydrophobicContact CB-CG2 4.25Å; V130-V132 HydrophobicContact CG2-CG2 3.91Å; V132-I134 PolarHBondContact O-N 2.86Å |
| 133 | F | 96.2 | Very high | 94.5 | Very high | 26 Ų | 26 | 59.8 Ų | 59.8 | 11% | 0.114 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.3 | 127.2 | 172.4 | -179.2 | -91.8 | 0 | 0 | 0 | 110.8 | S118 L120 G135 L145 E160 | S118-F133 WeakPolarHBondContact OG-CE2 3.4Å; L120-F133 HydrophobicContact CD2-CB 3.98Å; L120-F133 HydrophobicContact CD2-CD2 3.88Å; L120-F133 HydrophobicContact CD2-CG 4.38Å; F133-G135 WeakPolarHBondContact CE2-O 3.4Å; F133-L145 HydrophobicContact CD1-CD1 4.41Å; F133-L145 HydrophobicContact CE1-CB 4.02Å; F133-L145 HydrophobicContact CE1-CD1 3.74Å; F133-L145 HydrophobicContact CE1-CG 4.42Å; F133-L145 HydrophobicContact CZ-CD1 4.36Å; F133-E160 HydrophobicContact CB-CG 4.03Å; F133-E160 WeakPolarHBondContact CB-OE1 3.03Å; F133-E160 HydrophobicContact CD1-CB 4.15Å; F133-E160 HydrophobicContact CD2-CB 4.08Å; F133-E160 HydrophobicContact CD2-CG 3.91Å; F133-E160 HydrophobicContact CE1-CB 4.34Å; F133-E160 HydrophobicContact CE2-CB 4.27Å; F133-E160 HydrophobicContact CG-CB 4.01Å; F133-E160 HydrophobicContact CG-CG 3.91Å; F133-E160 HydrophobicContact CZ-CB 4.38Å |
| 134 | I | 96.7 | Very high | 94.4 | Very high | 52 Ų | 52 | 62.3 Ų | 62.3 | 27% | 0.267 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | -14 | 178.6 | 60.8 | 166 | 0 | 0 | 0 | 113.5 | K112 T119 H121 V132 I142 | K112-I134 HydrophobicContact CD-CD1 3.72Å; K112-I134 HydrophobicContact CG-CD1 3.95Å; T119-I134 HydrophobicContact CG2-CD1 3.74Å; T119-I134 HydrophobicContact CG2-CG1 3.85Å; T119-I134 WeakPolarHBondContact O-CG1 3.24Å; T119-I134 PolarHBondContact O-N 3.17Å; H121-I134 HydrophobicContact CB-CD1 4.49Å; H121-I134 HydrophobicContact CB-CG2 3.85Å; V132-I134 PolarHBondContact O-N 2.86Å; I134-I142 HydrophobicContact CD1-CD1 3.98Å |
| 135 | G | 96.8 | Very high | 94.3 | Very high | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 155.9 | -174.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | T119 F133 V143 | T119-G135 PolarHBondContact N-O 2.75Å; T119-G135 PolarHBondContact O-N 2.8Å; F133-G135 WeakPolarHBondContact CE2-O 3.4Å; G135-V143 CarbonylContact C-O 3.52Å; G135-V143 WeakPolarHBondContact CA-O 3.46Å |
| 136 | C | 95.6 | Very high | 94.1 | Very high | 5 Ų | 5 | 62.3 Ų | 62.3 | 3% | 0.034 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 140.2 | 177.9 | -53 | 0 | 0 | 0 | 0 | 109.3 | N117 I142 V143 Y149 C158 | N117-C136 WeakPolarHBondContact O-CA 3.32Å; C136-I142 WeakPolarHBondContact O-CA 3.19Å; C136-V143 PolarHBondContact N-O 2.8Å; C136-V143 PolarHBondContact O-N 3.32Å; C136-Y149 HydrophobicContact CB-CE1 4.14Å; C136-C158 HydrophobicContact CB-CB 3.77Å; C136-C158 WeakPolarHBondContact CB-SG 3.33Å; C136-C158 PolarHBondContact N-SG 2.97Å; C136-C158 WeakPolarHBondContact SG-CA 3.35Å; C136-C158 WeakPolarHBondContact SG-CB 3.26Å; C136-C158 CovalentContact SG-SG 2.05Å; C136-C158 PolarHBondContact SG-SG 2.79Å |
| 137 | D | 91.6 | Very high | 94.2 | Very high | 36 Ų | 36 | 58.7 Ų | 58.7 | 19% | 0.193 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 118.8 | 176.3 | -159.8 | -50.7 | 0 | 0 | 0 | 110.1 | R114 N117 G139 | R114-D137 VanDerWaalsContact CZ-CG 3.46Å; R114-D137 IonicContact CZ-OD1 3.67Å; R114-D137 IonicContact CZ-OD2 3.03Å; R114-D137 VanDerWaalsContact NE-CG 3.29Å; R114-D137 IonicContact NE-OD1 3.94Å; R114-D137 IonicContact NE-OD2 2.68Å; R114-D137 PolarHBondContact NE-OD2 2.83Å; R114-D137 IonicContact NH2-OD1 2.99Å; R114-D137 PolarHBondContact NH2-OD1 3.41Å; R114-D137 IonicContact NH2-OD2 2.67Å; R114-D137 PolarHBondContact NH2-OD2 2.81Å; N117-D137 PolarHBondContact O-N 2.79Å; N117-D137 VanDerWaalsContact O-N 3.14Å; D137-G139 PolarHBondContact OD1-N 2.82Å |
| 138 | N | 89.6 | Confident | 94.3 | Very high | 51 Ų | 51 | 62 Ų | 62 | 27% | 0.273 | 34% | 0.341 | S | S | . | . | trans | -104.7 | 13.5 | 178.9 | 74.1 | -8.4 | 0 | 0 | 0 | 113.3 | N140 G141 V143 Y149 | N138-N140 PolarHBondContact O-N 2.93Å; N138-N140 WeakPolarHBondContact OD1-CA 3.07Å; N138-N140 PolarHBondContact OD1-N 3.06Å; N138-G141 PolarHBondContact N-O 2.03Å; N138-G141 PolarHBondContact OD1-N 3.16Å; N138-G141 PolarHBondContact OD1-O 3.01Å; N138-V143 HydrophobicContact CB-CG2 4.17Å; N138-Y149 HydrophobicContact CB-CD2 3.49Å; N138-Y149 VanDerWaalsContact CB-CD2 3.49Å; N138-Y149 HydrophobicContact CB-CE2 3.94Å; N138-Y149 HydrophobicContact CB-CG 4.16Å | ||
| 139 | G | 88 | Confident | 94.2 | Very high | 60 Ų | 60 | 56.2 Ų | 56.2 | 62% | 0.619 | 32% | 0.315 | S | S | * | . | S | Bend | trans | 82.9 | -24.8 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | D137 | D137-G139 PolarHBondContact OD1-N 2.82Š|
| 140 | N | 90.7 | Very high | 93.9 | Very high | 158 Ų | 158 | 60 Ų | 60 | 85% | 0.845 | 34% | 0.339 | S | S | * | . | S | Bend | trans | -99.2 | -11.1 | 175.7 | -68.3 | -27.5 | 0 | 0 | 0 | 113.1 | N138 | N138-N140 PolarHBondContact O-N 2.93Å; N138-N140 WeakPolarHBondContact OD1-CA 3.07Å; N138-N140 PolarHBondContact OD1-N 3.06Å |
| 141 | G | 92 | Very high | 93.4 | Very high | 34 Ų | 34 | 61.7 Ų | 61.7 | 35% | 0.351 | 35% | 0.346 | S | S | . | . | S | Bend | trans | 159.1 | -167.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | N138 | N138-G141 PolarHBondContact N-O 2.03Å; N138-G141 PolarHBondContact OD1-N 3.16Å; N138-G141 PolarHBondContact OD1-O 3.01Å |
| 142 | I | 94.3 | Very high | 92.9 | Very high | 73 Ų | 73 | 63.8 Ų | 63.8 | 37% | 0.374 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 118.7 | 178.1 | -58.3 | 168.3 | 0 | 0 | 0 | 108.4 | K112 T119 I134 C136 | K112-I142 HydrophobicContact CD-CD1 4.5Å; T119-I142 HydrophobicContact CG2-CD1 3.81Å; T119-I142 HydrophobicContact CG2-CG1 4.2Å; I134-I142 HydrophobicContact CD1-CD1 3.98Å; C136-I142 WeakPolarHBondContact O-CA 3.19Å |
| 143 | V | 95.1 | Very high | 92.6 | Very high | 14 Ų | 14 | 71.5 Ų | 71.5 | 9% | 0.085 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 132.2 | 175.2 | -178.9 | 0 | 0 | 0 | 0 | 108.7 | G135 C136 N138 E147 Y149 C158 | G135-V143 CarbonylContact C-O 3.52Å; G135-V143 WeakPolarHBondContact CA-O 3.46Å; C136-V143 PolarHBondContact N-O 2.8Å; C136-V143 PolarHBondContact O-N 3.32Å; N138-V143 HydrophobicContact CB-CG2 4.17Å; V143-E147 HydrophobicContact CG1-CB 3.61Å; V143-Y149 HydrophobicContact CB-CD1 4.22Å; V143-Y149 HydrophobicContact CG1-CD1 3.9Å; V143-Y149 HydrophobicContact CG1-CG 4.42Å; V143-Y149 HydrophobicContact CG2-CD1 4.19Å; V143-Y149 HydrophobicContact CG2-CG 4.03Å; V143-C158 HydrophobicContact CB-CB 4.42Å; V143-C158 HydrophobicContact CG1-CB 3.99Å; V143-C158 PolarHBondContact O-SG 2.04Å; V143-C158 VanDerWaalsContact O-SG 3.36Å |
| 144 | K | 95.4 | Very high | 92.4 | Very high | 136 Ų | 136 | 74.5 Ų | 74.5 | 59% | 0.591 | 42% | 0.419 | S | S | * | . | P | Polyproline II helix | trans | -74.1 | 159.6 | -175.3 | -62.6 | 176.3 | -177.6 | 168.9 | 0 | 111.5 | G146 E147 C158 | K144-G146 PolarHBondContact O-N 3.28Å; K144-E147 HydrophobicContact CB-CG 4.18Å; K144-E147 PolarHBondContact N-OE2 3.43Å; K144-E147 VanDerWaalsContact N-OE2 3.09Å; K144-E147 WeakPolarHBondContact O-CB 3.2Å; K144-E147 PolarHBondContact O-N 2.76Å; K144-E147 VanDerWaalsContact O-N 3.09Å; K144-C158 VanDerWaalsContact O-CB 3.31Å; K144-C158 WeakPolarHBondContact O-CB 3.5Å |
| 145 | L | 94.7 | Very high | 92.1 | Very high | 107 Ų | 107 | 78.5 Ų | 78.5 | 56% | 0.56 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.9 | 127.6 | 174.6 | -173.5 | 66.5 | 0 | 0 | 0 | 111 | F133 E147 E160 | F133-L145 HydrophobicContact CD1-CD1 4.41Å; F133-L145 HydrophobicContact CE1-CB 4.02Å; F133-L145 HydrophobicContact CE1-CD1 3.74Å; F133-L145 HydrophobicContact CE1-CG 4.42Å; F133-L145 HydrophobicContact CZ-CD1 4.36Å; L145-E147 VanDerWaalsContact C-N 3.31Å; L145-E147 PolarHBondContact O-N 3.42Å; L145-E160 HydrophobicContact CD1-CB 4.36Å |
| 146 | G | 93.4 | Very high | 91.9 | Very high | 23 Ų | 23 | 79.6 Ų | 79.6 | 24% | 0.237 | 45% | 0.449 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 85.5 | -12.2 | 178 | 0 | 0 | 0 | 0 | 0 | 115.4 | K144 R157 C158 | K144-G146 PolarHBondContact O-N 3.28Å; G146-R157 PolarHBondContact O-NE 2.79Å; G146-C158 WeakPolarHBondContact CA-O 2.99Å; G146-C158 PolarHBondContact N-O 3.06Å |
| 147 | E | 95.2 | Very high | 91.8 | Very high | 91 Ų | 91 | 85.8 Ų | 85.8 | 43% | 0.425 | 47% | 0.472 | S | S | . | . | trans | -76.3 | 152.8 | 174.9 | -68.6 | 178.8 | 169.7 | 0 | 0 | 111.3 | V143 K144 L145 C158 | V143-E147 HydrophobicContact CG1-CB 3.61Å; K144-E147 HydrophobicContact CB-CG 4.18Å; K144-E147 PolarHBondContact N-OE2 3.43Å; K144-E147 VanDerWaalsContact N-OE2 3.09Å; K144-E147 WeakPolarHBondContact O-CB 3.2Å; K144-E147 PolarHBondContact O-N 2.76Å; K144-E147 VanDerWaalsContact O-N 3.09Å; L145-E147 VanDerWaalsContact C-N 3.31Å; L145-E147 PolarHBondContact O-N 3.42Å; E147-C158 PolarHBondContact O-N 2.93Å | ||
| 148 | F | 94.4 | Very high | 92 | Very high | 139 Ų | 139 | 84 Ų | 84 | 61% | 0.61 | 46% | 0.463 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96 | 146.8 | 177.2 | -65 | -89.7 | 0 | 0 | 0 | 110.9 | I155 A156 R157 | F148-I155 HydrophobicContact CB-CG2 4.03Å; F148-I155 HydrophobicContact CD1-CG2 3.91Å; F148-I155 HydrophobicContact CG-CG2 4.36Å; F148-A156 CarbonylContact C-O 3.53Å; F148-A156 VanDerWaalsContact CA-O 3.23Å; F148-A156 WeakPolarHBondContact CA-O 3.35Å; F148-R157 HydrophobicContact CD1-CB 3.79Å; F148-R157 HydrophobicContact CD1-CG 4.08Å; F148-R157 HydrophobicContact CE1-CB 3.71Å; F148-R157 HydrophobicContact CE1-CG 3.89Å; F148-R157 HydrophobicContact CG-CG 4.5Å; F148-R157 HydrophobicContact CZ-CB 4.43Å; F148-R157 HydrophobicContact CZ-CG 4.12Å |
| 149 | Y | 91.9 | Very high | 92.2 | Very high | 29 Ų | 29 | 87.6 Ų | 87.6 | 11% | 0.114 | 48% | 0.478 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 158.9 | 175.4 | 63.9 | -80.9 | 0 | 0 | 0 | 110.8 | C136 N138 V143 D151 I155 A156 C158 | C136-Y149 HydrophobicContact CB-CE1 4.14Å; N138-Y149 HydrophobicContact CB-CD2 3.49Å; N138-Y149 VanDerWaalsContact CB-CD2 3.49Å; N138-Y149 HydrophobicContact CB-CE2 3.94Å; N138-Y149 HydrophobicContact CB-CG 4.16Å; V143-Y149 HydrophobicContact CB-CD1 4.22Å; V143-Y149 HydrophobicContact CG1-CD1 3.9Å; V143-Y149 HydrophobicContact CG1-CG 4.42Å; V143-Y149 HydrophobicContact CG2-CD1 4.19Å; V143-Y149 HydrophobicContact CG2-CG 4.03Å; Y149-D151 HydrophobicContact CD2-CB 4.35Å; Y149-D151 HydrophobicContact CE2-CB 3.97Å; Y149-I155 WeakPolarHBondContact O-CA 3.39Å; Y149-A156 HydrophobicContact CD1-CB 4.37Å; Y149-A156 HydrophobicContact CD2-CB 4.45Å; Y149-A156 HydrophobicContact CE1-CB 3.89Å; Y149-A156 HydrophobicContact CE2-CB 4Å; Y149-A156 PolarHBondContact N-O 2.78Å; Y149-A156 PolarHBondContact O-N 2.96Å; Y149-C158 HydrophobicContact CD1-CB 4.35Å; Y149-C158 HydrophobicContact CE1-CB 4.03Å |
| 150 | V | 89.7 | Confident | 92.3 | Very high | 99 Ų | 99 | 89.1 Ų | 89.1 | 60% | 0.6 | 47% | 0.469 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89 | 117.1 | 175.5 | -178 | 0 | 0 | 0 | 0 | 108.3 | G152 | V150-G152 WeakPolarHBondContact CG1-O 3.22Å |
| 151 | D | 85.5 | Confident | 91.8 | Very high | 86 Ų | 86 | 85.7 Ų | 85.7 | 46% | 0.46 | 45% | 0.45 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 99.5 | 170 | -174.2 | 14.7 | 0 | 0 | 0 | 108.4 | Y149 K153 T154 A156 | Y149-D151 HydrophobicContact CD2-CB 4.35Å; Y149-D151 HydrophobicContact CE2-CB 3.97Å; D151-K153 PolarHBondContact O-N 2.93Å; D151-T154 PolarHBondContact N-O 2.98Å; D151-T154 PolarHBondContact O-N 3.4Å; D151-T154 PolarHBondContact O-OG1 3.12Å; D151-A156 HydrophobicContact CB-CB 4.34Å |
| 152 | G | 87.4 | Confident | 90.4 | Very high | 67 Ų | 67 | 93.1 Ų | 93.1 | 69% | 0.691 | 48% | 0.476 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.6 | -103.1 | -172.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | V150 | V150-G152 WeakPolarHBondContact CG1-O 3.22Š|
| 153 | K | 91 | Very high | 88.6 | Confident | 215 Ų | 215 | 99 Ų | 99 | 94% | 0.935 | 50% | 0.499 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.9 | -0.9 | -179.8 | -64.2 | -173.8 | -178.8 | -179.2 | 0 | 113.7 | D151 | D151-K153 PolarHBondContact O-N 2.93Š|
| 154 | T | 91.7 | Very high | 86.1 | Confident | 89 Ų | 89 | 104.7 Ų | 104.7 | 55% | 0.546 | 53% | 0.528 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 145.3 | -175.7 | 49.3 | 0 | 0 | 0 | 0 | 111.1 | D151 | D151-T154 PolarHBondContact N-O 2.98Å; D151-T154 PolarHBondContact O-N 3.4Å; D151-T154 PolarHBondContact O-OG1 3.12Å |
| 155 | I | 90.5 | Very high | 83.1 | Confident | 136 Ų | 136 | 102.6 Ų | 102.6 | 70% | 0.697 | 53% | 0.53 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 115.8 | 169.2 | -60 | 174.5 | 0 | 0 | 0 | 107.1 | F148 Y149 | F148-I155 HydrophobicContact CB-CG2 4.03Å; F148-I155 HydrophobicContact CD1-CG2 3.91Å; F148-I155 HydrophobicContact CG-CG2 4.36Å; Y149-I155 WeakPolarHBondContact O-CA 3.39Å |
| 156 | A | 92.4 | Very high | 80.6 | Confident | 24 Ų | 24 | 103.3 Ų | 103.3 | 20% | 0.198 | 53% | 0.529 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 155.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | F148 Y149 D151 | F148-A156 CarbonylContact C-O 3.53Å; F148-A156 VanDerWaalsContact CA-O 3.23Å; F148-A156 WeakPolarHBondContact CA-O 3.35Å; Y149-A156 HydrophobicContact CD1-CB 4.37Å; Y149-A156 HydrophobicContact CD2-CB 4.45Å; Y149-A156 HydrophobicContact CE1-CB 3.89Å; Y149-A156 HydrophobicContact CE2-CB 4Å; Y149-A156 PolarHBondContact N-O 2.78Å; Y149-A156 PolarHBondContact O-N 2.96Å; D151-A156 HydrophobicContact CB-CB 4.34Å |
| 157 | R | 93.9 | Very high | 77.7 | Confident | 134 Ų | 134 | 111.1 Ų | 111.1 | 51% | 0.506 | 56% | 0.557 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -109.6 | 132.6 | 170.4 | -167.8 | 178.3 | -173.5 | -173.2 | -3.3 | 108.7 | G146 F148 Q159 | G146-R157 PolarHBondContact O-NE 2.79Å; F148-R157 HydrophobicContact CD1-CB 3.79Å; F148-R157 HydrophobicContact CD1-CG 4.08Å; F148-R157 HydrophobicContact CE1-CB 3.71Å; F148-R157 HydrophobicContact CE1-CG 3.89Å; F148-R157 HydrophobicContact CG-CG 4.5Å; F148-R157 HydrophobicContact CZ-CB 4.43Å; F148-R157 HydrophobicContact CZ-CG 4.12Å; R157-Q159 PolarHBondContact O-N 2.9Å |
| 158 | C | 95.1 | Very high | 75.1 | Confident | 0 Ų | 0 | 114.3 Ų | 114.3 | 0% | 0 | 58% | 0.577 | C | S | . | * | trans | -70.9 | 119.7 | 177 | -178.9 | 0 | 0 | 0 | 0 | 110.6 | C136 V143 K144 G146 E147 Y149 | C136-C158 HydrophobicContact CB-CB 3.77Å; C136-C158 WeakPolarHBondContact CB-SG 3.33Å; C136-C158 PolarHBondContact N-SG 2.97Å; C136-C158 WeakPolarHBondContact SG-CA 3.35Å; C136-C158 WeakPolarHBondContact SG-CB 3.26Å; C136-C158 CovalentContact SG-SG 2.05Å; C136-C158 PolarHBondContact SG-SG 2.79Å; V143-C158 HydrophobicContact CB-CB 4.42Å; V143-C158 HydrophobicContact CG1-CB 3.99Å; V143-C158 PolarHBondContact O-SG 2.04Å; V143-C158 VanDerWaalsContact O-SG 3.36Å; K144-C158 VanDerWaalsContact O-CB 3.31Å; K144-C158 WeakPolarHBondContact O-CB 3.5Å; G146-C158 WeakPolarHBondContact CA-O 2.99Å; G146-C158 PolarHBondContact N-O 3.06Å; E147-C158 PolarHBondContact O-N 2.93Å; Y149-C158 HydrophobicContact CD1-CB 4.35Å; Y149-C158 HydrophobicContact CE1-CB 4.03Å | ||
| 159 | Q | 93.5 | Very high | 72.7 | Confident | 126 Ų | 126 | 116.3 Ų | 116.3 | 59% | 0.589 | 59% | 0.585 | S | S | * | * | trans | -132.1 | 147.3 | 178.9 | -67 | -175.4 | -30 | 0 | 0 | 108.9 | R157 D161 | R157-Q159 PolarHBondContact O-N 2.9Å; Q159-D161 PolarHBondContact O-N 3.47Å | ||
| 160 | E | 90.8 | Very high | 70.1 | Confident | 91 Ų | 91 | 125.9 Ų | 125.9 | 43% | 0.425 | 62% | 0.621 | S | S | . | * | P | Polyproline II helix | trans | -75.8 | 122.7 | 168.7 | -175.9 | 173.9 | -160.4 | 0 | 0 | 107.6 | K80 F133 L145 E162 | K80-E160 IonicContact NZ-OE1 3.98Å; F133-E160 HydrophobicContact CB-CG 4.03Å; F133-E160 WeakPolarHBondContact CB-OE1 3.03Å; F133-E160 HydrophobicContact CD1-CB 4.15Å; F133-E160 HydrophobicContact CD2-CB 4.08Å; F133-E160 HydrophobicContact CD2-CG 3.91Å; F133-E160 HydrophobicContact CE1-CB 4.34Å; F133-E160 HydrophobicContact CE2-CB 4.27Å; F133-E160 HydrophobicContact CG-CB 4.01Å; F133-E160 HydrophobicContact CG-CG 3.91Å; F133-E160 HydrophobicContact CZ-CB 4.38Å; L145-E160 HydrophobicContact CD1-CB 4.36Å; E160-E162 PolarHBondContact O-N 3.22Å; E160-E162 VanDerWaalsContact O-N 3.14Å |
| 161 | D | 79.9 | Confident | 67.9 | Low | 86 Ų | 86 | 125 Ų | 125 | 46% | 0.46 | 62% | 0.619 | S | S | . | * | P | Polyproline II helix | trans | -49.3 | 122.8 | 175.5 | -62.3 | -40.7 | 0 | 0 | 0 | 109.2 | S118 Q159 K163 | S118-D161 PolarHBondContact OG-OD2 2.78Å; Q159-D161 PolarHBondContact O-N 3.47Å; D161-K163 PolarHBondContact O-N 3.13Å |
| 162 | E | 63.3 | Low | 65.7 | Low | 190 Ų | 190 | 127.5 Ų | 127.5 | 89% | 0.888 | 63% | 0.633 | S | S | * | * | P | Polyproline II helix | trans | -48.4 | 132.2 | -176 | -83.4 | -172.9 | 149.3 | 0 | 0 | 110.9 | E160 L164 | E160-E162 PolarHBondContact O-N 3.22Å; E160-E162 VanDerWaalsContact O-N 3.14Å; E162-L164 PolarHBondContact O-N 2.65Å; E162-L164 VanDerWaalsContact O-N 3.09Å |
| 163 | K | 54.7 | Low | 63.3 | Low | 197 Ų | 197 | 129.3 Ų | 129.3 | 86% | 0.857 | 64% | 0.635 | S | S | * | * | trans | -38.4 | 113.2 | -174 | -86 | 176.1 | 173.1 | 173.4 | 0 | 112.8 | D161 S165 | D161-K163 PolarHBondContact O-N 3.13Å; K163-S165 VanDerWaalsContact C-N 3.29Å; K163-S165 PolarHBondContact O-N 2.77Å | ||
| 164 | L | 42.8 | Very low | 60.8 | Low | 134 Ų | 134 | 124.4 Ų | 124.4 | 70% | 0.702 | 63% | 0.625 | S | S | * | * | trans | -62.4 | 93.8 | 152.4 | -82 | 155.2 | 0 | 0 | 0 | 107.7 | E162 F166 | E162-L164 PolarHBondContact O-N 2.65Å; E162-L164 VanDerWaalsContact O-N 3.09Å; L164-F166 HydrophobicContact CB-CE2 4.32Å; L164-F166 HydrophobicContact CB-CZ 4.49Å; L164-F166 WeakPolarHBondContact O-CD2 3.44Å; L164-F166 PolarHBondContact O-N 3.34Å; L164-F166 VanDerWaalsContact O-N 3.1Å | ||
| 165 | S | 33.6 | Very low | 58.3 | Low | 91 Ų | 91 | 127.3 Ų | 127.3 | 64% | 0.636 | 64% | 0.637 | S | S | * | * | trans | -69.3 | 104.4 | 173 | 61.7 | 0 | 0 | 0 | 0 | 108.5 | K163 F167 | K163-S165 VanDerWaalsContact C-N 3.29Å; K163-S165 PolarHBondContact O-N 2.77Å; S165-F167 PolarHBondContact O-N 2.84Å | ||
| 166 | F | 42.4 | Very low | 55.8 | Low | 122 Ų | 122 | 128.5 Ų | 128.5 | 54% | 0.535 | 65% | 0.645 | S | S | . | * | trans | -66.2 | 120.3 | 168 | -65.9 | -85.3 | 0 | 0 | 0 | 107.9 | M78 L164 D168 | M78-F166 HydrophobicContact CG-CD1 4.44Å; M78-F166 HydrophobicContact CG-CE1 4.1Å; L164-F166 HydrophobicContact CB-CE2 4.32Å; L164-F166 HydrophobicContact CB-CZ 4.49Å; L164-F166 WeakPolarHBondContact O-CD2 3.44Å; L164-F166 PolarHBondContact O-N 3.34Å; L164-F166 VanDerWaalsContact O-N 3.1Å; F166-D168 PolarHBondContact O-N 2.83Å | ||
| 167 | F | 31.8 | Very low | 53.2 | Low | 187 Ų | 187 | 135.8 Ų | 135.8 | 82% | 0.82 | 68% | 0.675 | S | S | * | * | trans | -64.9 | 103.1 | 171.2 | -75.1 | -86.8 | 0 | 0 | 0 | 108.2 | S165 K169 | S165-F167 PolarHBondContact O-N 2.84Å; F167-K169 PolarHBondContact O-N 3.22Å | ||
| 168 | D | 41.1 | Very low | 50.4 | Low | 159 Ų | 159 | 141.2 Ų | 141.2 | 85% | 0.85 | 70% | 0.695 | S | S | * | * | trans | -60.3 | 87.4 | 158.3 | -89.6 | -30.9 | 0 | 0 | 0 | 106.9 | F166 R170 | F166-D168 PolarHBondContact O-N 2.83Å; D168-R170 PolarHBondContact O-N 2.8Å | ||
| 169 | K | 43.2 | Very low | 47.5 | Very low | 181 Ų | 181 | 144.8 Ų | 144.8 | 79% | 0.787 | 73% | 0.733 | S | S | * | * | trans | -66.5 | 84.2 | 162.3 | -85.3 | -172.1 | 179.3 | 178 | 0 | 106.2 | F167 S171 | F167-K169 PolarHBondContact O-N 3.22Å; K169-S171 PolarHBondContact O-N 3.27Å | ||
| 170 | R | 37.6 | Very low | 44.9 | Very low | 230 Ų | 230 | 149.8 Ų | 149.8 | 87% | 0.868 | 75% | 0.752 | S | S | * | * | trans | -63 | 87 | 160.8 | -152.2 | -179.6 | -164.2 | -160.1 | 4.1 | 105.5 | D168 N172 | D168-R170 PolarHBondContact O-N 2.8Å; R170-N172 PolarHBondContact O-N 2.94Å | ||
| 171 | S | 44.3 | Very low | 42 | Very low | 79 Ų | 79 | 147.9 Ų | 147.9 | 55% | 0.552 | 76% | 0.757 | S | S | * | * | trans | -67.3 | 91.5 | 174.9 | 62 | 0 | 0 | 0 | 0 | 107.1 | K169 S173 | K169-S171 PolarHBondContact O-N 3.27Å; S171-S173 PolarHBondContact O-N 3.25Å | ||
| 172 | N | 38.8 | Very low | 39.9 | Very low | 140 Ų | 140 | 152 Ų | 152 | 75% | 0.749 | 78% | 0.779 | S | S | * | * | trans | -58.2 | 94.3 | 151.9 | -79.8 | -15.2 | 0 | 0 | 0 | 104.8 | R170 P174 | R170-N172 PolarHBondContact O-N 2.94Å; N172-P174 WeakPolarHBondContact O-CD 3.5Å | ||
| 173 | S | 37.7 | Very low | 38.6 | Very low | 104 Ų | 104 | 151.1 Ų | 151.1 | 73% | 0.727 | 78% | 0.775 | S | S | * | * | trans | -70.1 | 107.6 | 173.5 | -76.8 | 0 | 0 | 0 | 0 | 107.5 | S171 N175 | S171-S173 PolarHBondContact O-N 3.25Å; S173-N175 PolarHBondContact O-N 2.88Å | ||
| 174 | P | 38.3 | Very low | 37.6 | Very low | 112 Ų | 112 | 146.9 Ų | 146.9 | 73% | 0.727 | 77% | 0.767 | S | S | * | * | trans | -82.8 | 114.9 | 167.1 | 4.9 | 18.8 | 0 | 0 | 0 | 105.1 | N172 N176 | N172-P174 WeakPolarHBondContact O-CD 3.5Å; P174-N176 PolarHBondContact O-N 3.37Å | ||
| 175 | N | 38.2 | Very low | 37.1 | Very low | 150 Ų | 150 | 145.4 Ų | 145.4 | 80% | 0.802 | 77% | 0.774 | S | S | * | * | trans | -49.3 | 107.1 | 160 | -105.1 | -21 | 0 | 0 | 0 | 107.1 | S173 | S173-N175 PolarHBondContact O-N 2.88Š| ||
| 176 | N | 39.5 | Very low | 36.9 | Very low | 162 Ų | 162 | 148.8 Ų | 148.8 | 87% | 0.866 | 78% | 0.78 | S | S | * | * | trans | -160.9 | 138.2 | 155.4 | -92.6 | -27.3 | 0 | 0 | 0 | 112.7 | P174 | P174-N176 PolarHBondContact O-N 3.37Š| ||
| 177 | Q | 36.7 | Very low | 36.4 | Very low | 177 Ų | 177 | 150.9 Ų | 150.9 | 83% | 0.827 | 80% | 0.797 | S | S | * | * | trans | -75.9 | 154.5 | -169.8 | -61.9 | 176.8 | -3.9 | 0 | 0 | 112.9 | ||||
| 178 | R | 34.4 | Very low | 36.3 | Very low | 247 Ų | 247 | 148.3 Ų | 148.3 | 93% | 0.932 | 79% | 0.791 | S | S | * | * | trans | 46.9 | 92.6 | 152.4 | -70.7 | -178.4 | -177.6 | -128.1 | 0.3 | 116.6 | ||||
| 179 | G | 36.1 | Very low | 35.7 | Very low | 76 Ų | 76 | 145 Ų | 145 | 78% | 0.784 | 78% | 0.779 | S | S | * | * | trans | -148.8 | 108.5 | 158.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | G181 | G179-G181 PolarHBondContact O-N 2.82Š| ||
| 180 | K | 37 | Very low | 35 | Very low | 231 Ų | 231 | 142.6 Ų | 142.6 | 100% | 1.004 | 78% | 0.779 | S | S | * | * | trans | -76.2 | 95.7 | 177.8 | -144.3 | -177.7 | -170.8 | -176.5 | 0 | 107.3 | ||||
| 181 | G | 31.5 | Very low | 34.6 | Very low | 51 Ų | 51 | 136.3 Ų | 136.3 | 53% | 0.526 | 77% | 0.766 | S | S | . | * | trans | -127.9 | 120.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | G179 H183 | G179-G181 PolarHBondContact O-N 2.82Å; G181-H183 PolarHBondContact O-N 2.83Å | ||
| 182 | N | 35.5 | Very low | 34 | Very low | 172 Ų | 172 | 135.9 Ų | 135.9 | 92% | 0.92 | 76% | 0.763 | S | S | * | * | trans | -68.4 | 110.9 | 174 | -77.2 | -13.6 | 0 | 0 | 0 | 109.3 | ||||
| 183 | H | 35.4 | Very low | 33.6 | Very low | 172 Ų | 172 | 135.6 Ų | 135.6 | 80% | 0.796 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -104 | 136.7 | 167.6 | -73.8 | -59.3 | 0 | 0 | 0 | 110.1 | G181 | G181-H183 PolarHBondContact O-N 2.83Š|
| 184 | P | 33.5 | Very low | 33.2 | Very low | 107 Ų | 107 | 135.7 Ų | 135.7 | 70% | 0.695 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 141 | -176.1 | 28.2 | -33.1 | 0 | 0 | 0 | 111 | H186 | P184-H186 PolarHBondContact O-N 2.95Š|
| 185 | A | 31.8 | Very low | 32.8 | Very low | 104 Ų | 104 | 136.3 Ų | 136.3 | 86% | 0.86 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -53.1 | 118.4 | -178.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||
| 186 | H | 30.3 | Very low | 32.4 | Very low | 161 Ų | 161 | 135 Ų | 135 | 75% | 0.745 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -83.1 | 138.2 | 165.2 | -79.7 | -73.4 | 0 | 0 | 0 | 108.9 | P184 N188 | P184-H186 PolarHBondContact O-N 2.95Å; H186-N188 PolarHBondContact O-N 3.46Å |
| 187 | D | 31.5 | Very low | 32 | Very low | 167 Ų | 167 | 133.4 Ų | 133.4 | 89% | 0.893 | 75% | 0.753 | S | S | * | * | trans | -53.9 | 111.7 | 177.2 | -67 | -50.4 | 0 | 0 | 0 | 110.4 | ||||
| 188 | N | 30 | Very low | 31.7 | Very low | 132 Ų | 132 | 129.3 Ų | 129.3 | 71% | 0.706 | 75% | 0.75 | S | S | * | * | trans | -63.3 | 131.8 | -179.6 | -78 | -39.5 | 0 | 0 | 0 | 109.6 | H186 T190 | H186-N188 PolarHBondContact O-N 3.46Å; N188-T190 PolarHBondContact O-N 2.74Å | ||
| 189 | P | 29.7 | Very low | 31.5 | Very low | 91 Ų | 91 | 123.6 Ų | 123.6 | 59% | 0.591 | 74% | 0.744 | S | S | * | * | trans | -58.6 | 125.4 | 168.5 | 22.7 | -29.8 | 0 | 0 | 0 | 109.1 | V191 | P189-V191 PolarHBondContact O-N 3.31Š| ||
| 190 | T | 28.4 | Very low | 31.2 | Very low | 129 Ų | 129 | 125.8 Ų | 125.8 | 79% | 0.791 | 75% | 0.748 | S | S | * | * | trans | -60.9 | 103.6 | -179.3 | -44.9 | 0 | 0 | 0 | 0 | 109.6 | N188 S192 | N188-T190 PolarHBondContact O-N 2.74Å; T190-S192 VanDerWaalsContact C-N 3.31Å; T190-S192 PolarHBondContact O-N 3.17Å | ||
| 191 | V | 29.1 | Very low | 30.6 | Very low | 99 Ų | 99 | 123.4 Ų | 123.4 | 60% | 0.6 | 74% | 0.742 | S | S | * | * | trans | -73.4 | 90.1 | 167.4 | -178.9 | 0 | 0 | 0 | 0 | 106.9 | P189 N193 | P189-V191 PolarHBondContact O-N 3.31Å; V191-N193 PolarHBondContact O-N 3.09Å | ||
| 192 | S | 32.1 | Very low | 30.2 | Very low | 69 Ų | 69 | 124.3 Ų | 124.3 | 48% | 0.483 | 75% | 0.752 | S | S | . | * | trans | -76.6 | 113.7 | 172 | 24.5 | 0 | 0 | 0 | 0 | 109.4 | T190 | T190-S192 VanDerWaalsContact C-N 3.31Å; T190-S192 PolarHBondContact O-N 3.17Å | ||
| 193 | N | 30.3 | Very low | 29.8 | Very low | 135 Ų | 135 | 119.2 Ų | 119.2 | 72% | 0.722 | 74% | 0.74 | S | S | * | * | trans | -61.3 | 129.4 | 169 | -85.7 | -29.4 | 0 | 0 | 0 | 109.1 | V191 T195 | V191-N193 PolarHBondContact O-N 3.09Å; N193-T195 PolarHBondContact O-N 3.37Å; N193-T195 PolarHBondContact O-OG1 2.9Å | ||
| 194 | P | 28.3 | Very low | 29.4 | Very low | 105 Ų | 105 | 116.5 Ų | 116.5 | 68% | 0.682 | 75% | 0.747 | S | S | * | * | trans | -62.9 | 109.4 | -176.5 | 22.9 | -31.1 | 0 | 0 | 0 | 110 | N196 | P194-N196 VanDerWaalsContact C-N 3.32Å; P194-N196 PolarHBondContact O-N 2.98Å | ||
| 195 | T | 30.7 | Very low | 29.3 | Very low | 125 Ų | 125 | 118 Ų | 118 | 77% | 0.767 | 75% | 0.748 | S | S | * | * | trans | -81.5 | -6.5 | -171.2 | -30.7 | 0 | 0 | 0 | 0 | 113.5 | N193 | N193-T195 PolarHBondContact O-N 3.37Å; N193-T195 PolarHBondContact O-OG1 2.9Å | ||
| 196 | N | 30 | Very low | 29.1 | Very low | 123 Ų | 123 | 118.4 Ų | 118.4 | 66% | 0.658 | 74% | 0.742 | S | S | * | * | S | Bend | trans | -147.2 | 124.2 | 179.8 | -74.4 | -57 | 0 | 0 | 0 | 112.5 | P194 | P194-N196 VanDerWaalsContact C-N 3.32Å; P194-N196 PolarHBondContact O-N 2.98Å |
| 197 | P | 30.2 | Very low | 29.1 | Very low | 128 Ų | 128 | 120.2 Ų | 120.2 | 83% | 0.831 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 136.4 | 172.5 | 25.7 | -29.9 | 0 | 0 | 0 | 111 | ||
| 198 | A | 30.7 | Very low | 29.3 | Very low | 92 Ų | 92 | 115.8 Ų | 115.8 | 76% | 0.76 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -65 | 142.7 | -178 | 0 | 0 | 0 | 0 | 0 | 112 | S200 | A198-S200 PolarHBondContact O-N 2.87Š|
| 199 | P | 29.3 | Very low | 29.6 | Very low | 126 Ų | 126 | 112 Ų | 112 | 82% | 0.818 | 71% | 0.712 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 128 | 176.8 | -15.5 | 28.9 | 0 | 0 | 0 | 112 | M201 | P199-M201 PolarHBondContact O-N 2.92Š|
| 200 | S | 30.2 | Very low | 30.1 | Very low | 122 Ų | 122 | 111.8 Ų | 111.8 | 85% | 0.853 | 71% | 0.709 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 120.5 | 175.3 | -175.2 | 0 | 0 | 0 | 0 | 110.8 | A198 | A198-S200 PolarHBondContact O-N 2.87Š|
| 201 | M | 24.6 | Very low | 30.8 | Very low | 181 Ų | 181 | 111.1 Ų | 111.1 | 89% | 0.892 | 70% | 0.7 | S | S | * | * | P | Polyproline II helix | trans | -89.3 | 128.7 | 171 | -70.5 | -145.8 | -69.9 | 0 | 0 | 110.8 | P199 | P199-M201 PolarHBondContact O-N 2.92Š|
| 202 | G | 23.4 | Very low | 31.9 | Very low | 70 Ų | 70 | 108.2 Ų | 108.2 | 72% | 0.722 | 69% | 0.69 | S | S | * | * | S | Bend | trans | 102.6 | 122.6 | 153.8 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||
| 203 | G | 26.4 | Very low | 32.6 | Very low | 66 Ų | 66 | 113.7 Ų | 113.7 | 68% | 0.68 | 71% | 0.708 | S | S | * | * | trans | 90.4 | 121.7 | 164.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | I205 | G203-I205 PolarHBondContact O-N 2.91Š| ||
| 204 | A | 28 | Very low | 33.7 | Very low | 114 Ų | 114 | 114.2 Ų | 114.2 | 94% | 0.942 | 71% | 0.706 | S | S | * | * | trans | -64.9 | 75.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 205 | I | 30.3 | Very low | 35.6 | Very low | 138 Ų | 138 | 114 Ų | 114 | 71% | 0.708 | 71% | 0.713 | S | S | * | * | P | Polyproline II helix | trans | -90 | 126.2 | 165.5 | -60.8 | 173.6 | 0 | 0 | 0 | 105.1 | G203 K207 | G203-I205 PolarHBondContact O-N 2.91Å; I205-K207 PolarHBondContact O-N 2.8Å; I205-K207 VanDerWaalsContact O-N 3.13Å |
| 206 | P | 29 | Very low | 37.9 | Very low | 113 Ų | 113 | 109.7 Ų | 109.7 | 73% | 0.734 | 69% | 0.694 | S | S | * | * | P | Polyproline II helix | trans | -48.8 | 125.2 | 176.3 | -24.8 | 32.8 | 0 | 0 | 0 | 109.2 | ||
| 207 | K | 30 | Very low | 40.5 | Very low | 199 Ų | 199 | 107.4 Ų | 107.4 | 87% | 0.865 | 68% | 0.676 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 126.2 | 175 | -76.1 | 177.8 | 178.7 | 175 | 0 | 107.2 | I205 S209 | I205-K207 PolarHBondContact O-N 2.8Å; I205-K207 VanDerWaalsContact O-N 3.13Å; K207-S209 PolarHBondContact O-N 3.46Å |
| 208 | P | 35.7 | Very low | 43.1 | Very low | 75 Ų | 75 | 106 Ų | 106 | 49% | 0.487 | 66% | 0.657 | S | S | . | * | P | Polyproline II helix | trans | -57.2 | 131.5 | 175.5 | 21.1 | -30 | 0 | 0 | 0 | 108.8 | M220 | P208-M220 HydrophobicContact CB-CB 4.24Š|
| 209 | S | 35.9 | Very low | 45.8 | Very low | 51 Ų | 51 | 102.2 Ų | 102.2 | 36% | 0.357 | 63% | 0.625 | S | S | . | * | P | Polyproline II helix | trans | -82.8 | 138.6 | 175.1 | 89.6 | 0 | 0 | 0 | 0 | 108.5 | K207 N211 D221 | K207-S209 PolarHBondContact O-N 3.46Å; S209-N211 PolarHBondContact O-N 2.89Å; S209-N211 PolarHBondContact OG-ND2 3.03Å; S209-D221 PolarHBondContact OG-OD2 3.08Å |
| 210 | V | 38.9 | Very low | 48.5 | Very low | 87 Ų | 87 | 99 Ų | 99 | 53% | 0.527 | 60% | 0.599 | S | S | . | * | trans | -88 | 93.7 | 176.5 | -179.9 | 0 | 0 | 0 | 0 | 106.9 | G212 F218 | V210-G212 PolarHBondContact O-N 2.97Å; V210-F218 HydrophobicContact CG1-CD2 4.44Å; V210-F218 HydrophobicContact CG1-CE2 3.99Å; V210-F218 HydrophobicContact CG2-CE2 3.83Å; V210-F218 HydrophobicContact CG2-CZ 3.92Å | ||
| 211 | N | 44.3 | Very low | 51.2 | Low | 115 Ų | 115 | 95.8 Ų | 95.8 | 62% | 0.615 | 57% | 0.572 | S | S | * | * | trans | -92.9 | 87.7 | 175.4 | -76.8 | -26.4 | 0 | 0 | 0 | 109.8 | S209 | S209-N211 PolarHBondContact O-N 2.89Å; S209-N211 PolarHBondContact OG-ND2 3.03Å | ||
| 212 | G | 51.7 | Low | 53.8 | Low | 38 Ų | 38 | 88 Ų | 88 | 39% | 0.392 | 54% | 0.536 | S | S | . | . | trans | 99.5 | 139.5 | 164 | 0 | 0 | 0 | 0 | 0 | 115.7 | V210 | V210-G212 PolarHBondContact O-N 2.97Š| ||
| 213 | Q | 46 | Very low | 56.4 | Low | 185 Ų | 185 | 90.5 Ų | 90.5 | 86% | 0.864 | 54% | 0.542 | S | S | * | . | trans | -112.5 | 87.8 | 175 | -142.9 | -178.7 | 14.9 | 0 | 0 | 106.9 | ||||
| 214 | H | 53.8 | Low | 58.8 | Low | 146 Ų | 146 | 90 Ų | 90 | 68% | 0.676 | 52% | 0.523 | S | S | * | . | trans | -88.3 | 110.1 | 171.7 | -81.8 | -71 | 0 | 0 | 0 | 108.7 | G216 W217 | H214-G216 PolarHBondContact O-N 2.95Å; H214-W217 WeakPolarHBondContact O-CB 3.03Å; H214-W217 PolarHBondContact O-N 3.44Å | ||
| 215 | A | 67.7 | Low | 61.3 | Low | 101 Ų | 101 | 88 Ų | 88 | 84% | 0.835 | 50% | 0.503 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 15.2 | 75.8 | 169.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||
| 216 | G | 80.7 | Confident | 63.8 | Low | 34 Ų | 34 | 86 Ų | 86 | 35% | 0.351 | 50% | 0.497 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 91.3 | 3.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 116 | H214 N267 S268 | H214-G216 PolarHBondContact O-N 2.95Å; G216-N267 WeakPolarHBondContact O-CA 3.41Å; G216-S268 PolarHBondContact O-N 3.04Å; G216-S268 PolarHBondContact O-OG 2.88Å |
| 217 | W | 83.7 | Confident | 66.6 | Low | 74 Ų | 74 | 80.9 Ų | 80.9 | 28% | 0.28 | 46% | 0.464 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 134.7 | 174.6 | -64.5 | 85.2 | 0 | 0 | 0 | 111.4 | H214 I251 F253 C265 V266 N267 | H214-W217 WeakPolarHBondContact O-CB 3.03Å; H214-W217 PolarHBondContact O-N 3.44Å; W217-I251 HydrophobicContact CH2-CB 4.39Å; W217-I251 HydrophobicContact CH2-CD1 4.46Å; W217-I251 HydrophobicContact CH2-CG1 4.28Å; W217-I251 HydrophobicContact CH2-CG2 3.37Å; W217-I251 HydrophobicContact CZ2-CG2 4.06Å; W217-I251 HydrophobicContact CZ3-CG2 3.9Å; W217-F253 HydrophobicContact CH2-CB 4.17Å; W217-F253 HydrophobicContact CZ3-CB 3.86Å; W217-C265 HydrophobicContact CE3-CB 3.7Å; W217-C265 HydrophobicContact CZ3-CB 4.24Å; W217-V266 WeakPolarHBondContact CA-O 3.19Å; W217-N267 HydrophobicContact CD2-CB 3.96Å; W217-N267 VanDerWaalsContact CE2-ND2 3.32Å; W217-N267 HydrophobicContact CE3-CB 3.84Å; W217-N267 HydrophobicContact CH2-CB 3.87Å; W217-N267 HydrophobicContact CZ2-CB 3.94Å; W217-N267 HydrophobicContact CZ3-CB 3.8Å; W217-N267 PolarHBondContact NE1-ND2 3.35Å |
| 218 | F | 84.8 | Confident | 69.4 | Low | 100 Ų | 100 | 71.4 Ų | 71.4 | 44% | 0.439 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 113.3 | 169 | 179.1 | -100.9 | 0 | 0 | 0 | 109 | V210 M220 C265 V266 | V210-F218 HydrophobicContact CG1-CD2 4.44Å; V210-F218 HydrophobicContact CG1-CE2 3.99Å; V210-F218 HydrophobicContact CG2-CE2 3.83Å; V210-F218 HydrophobicContact CG2-CZ 3.92Å; F218-M220 HydrophobicContact CD1-CE 4.17Å; F218-M220 HydrophobicContact CD1-CG 4.17Å; F218-M220 HydrophobicContact CD1-SD 4.45Å; F218-M220 HydrophobicContact CE1-CE 3.89Å; F218-M220 HydrophobicContact CE1-CG 3.46Å; F218-M220 VanDerWaalsContact CE1-CG 3.46Å; F218-M220 HydrophobicContact CE1-SD 3.62Å; F218-M220 HydrophobicContact CZ-CG 4.04Å; F218-M220 HydrophobicContact CZ-SD 4.43Å; F218-C265 CarbonylContact O-C 3.47Å; F218-C265 WeakPolarHBondContact O-CA 3.46Å; F218-V266 PolarHBondContact N-O 3.01Å; F218-V266 PolarHBondContact O-N 3.03Å |
| 219 | C | 87.6 | Confident | 72 | Confident | 12 Ų | 12 | 72.9 Ų | 72.9 | 8% | 0.081 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 141.5 | -177.8 | -58.3 | 0 | 0 | 0 | 0 | 111.9 | L264 C265 | C219-L264 CarbonylContact C-O 3.56Å; C219-L264 VanDerWaalsContact CA-O 3.27Å; C219-L264 WeakPolarHBondContact CA-O 3.23Å; C219-C265 HydrophobicContact CB-CB 4.18Å; C219-C265 WeakPolarHBondContact CB-SG 3.25Å; C219-C265 WeakPolarHBondContact SG-CB 3.42Å; C219-C265 CovalentContact SG-SG 2.05Å; C219-C265 PolarHBondContact SG-SG 2.79Å |
| 220 | M | 86.6 | Confident | 74.6 | Confident | 58 Ų | 58 | 71.4 Ų | 71.4 | 29% | 0.286 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 134.3 | 175.1 | -67.7 | 175 | -78.5 | 0 | 0 | 109.8 | P208 F218 S222 S263 L264 | P208-M220 HydrophobicContact CB-CB 4.24Å; F218-M220 HydrophobicContact CD1-CE 4.17Å; F218-M220 HydrophobicContact CD1-CG 4.17Å; F218-M220 HydrophobicContact CD1-SD 4.45Å; F218-M220 HydrophobicContact CE1-CE 3.89Å; F218-M220 HydrophobicContact CE1-CG 3.46Å; F218-M220 VanDerWaalsContact CE1-CG 3.46Å; F218-M220 HydrophobicContact CE1-SD 3.62Å; F218-M220 HydrophobicContact CZ-CG 4.04Å; F218-M220 HydrophobicContact CZ-SD 4.43Å; M220-S222 PolarHBondContact O-N 2.63Å; M220-S263 CarbonylContact O-C 3.46Å; M220-S263 WeakPolarHBondContact O-CA 3.19Å; M220-L264 HydrophobicContact CE-CD2 4.28Å; M220-L264 PolarHBondContact N-O 2.79Å; M220-L264 PolarHBondContact O-N 3.47Å |
| 221 | D | 85.1 | Confident | 77 | Confident | 54 Ų | 54 | 71.1 Ų | 71.1 | 29% | 0.289 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.2 | 131.1 | 174.6 | -59.4 | -39.1 | 0 | 0 | 0 | 110.9 | S209 | S209-D221 PolarHBondContact OG-OD2 3.08Å |
| 222 | S | 80 | Confident | 79 | Confident | 18 Ų | 18 | 66.9 Ų | 66.9 | 13% | 0.126 | 39% | 0.387 | C | S | . | . | trans | -84 | 140 | 169.3 | -175.3 | 0 | 0 | 0 | 0 | 109.7 | M220 I224 A227 A262 | M220-S222 PolarHBondContact O-N 2.63Å; S222-I224 PolarHBondContact O-N 3.42Å; S222-I224 PolarHBondContact OG-N 3.45Å; S222-I224 PolarHBondContact OG-O 2.82Å; S222-A227 PolarHBondContact OG-O 2.69Å; S222-A262 WeakPolarHBondContact CA-O 2.96Å; S222-A262 WeakPolarHBondContact CB-O 2.77Å; S222-A262 PolarHBondContact N-O 3.28Å | ||
| 223 | S | 77.6 | Confident | 80.6 | Confident | 122 Ų | 122 | 68.4 Ų | 68.4 | 85% | 0.853 | 39% | 0.392 | S | S | * | . | S | Bend | trans | -70.2 | -8.7 | 170.4 | 56.3 | 0 | 0 | 0 | 0 | 113.2 | ||
| 224 | I | 77.3 | Confident | 82.4 | Confident | 56 Ų | 56 | 62.8 Ų | 62.8 | 29% | 0.287 | 38% | 0.383 | S | S | . | . | S | Bend | trans | -113.1 | 123.8 | -178.2 | -53.8 | 171.3 | 0 | 0 | 0 | 108.1 | S222 T226 A227 Q229 A262 | S222-I224 PolarHBondContact O-N 3.42Å; S222-I224 PolarHBondContact OG-N 3.45Å; S222-I224 PolarHBondContact OG-O 2.82Å; I224-T226 VanDerWaalsContact C-N 3.29Å; I224-T226 PolarHBondContact O-N 3.46Å; I224-A227 WeakPolarHBondContact CB-O 3.17Å; I224-A227 HydrophobicContact CG2-CB 4.32Å; I224-Q229 HydrophobicContact CD1-CB 4.17Å; I224-A262 WeakPolarHBondContact O-CB 3.4Å |
| 225 | S | 81.2 | Confident | 83.7 | Confident | 73 Ų | 73 | 62.2 Ų | 62.2 | 51% | 0.51 | 38% | 0.379 | S | S | . | . | S | Bend | trans | -69.8 | -23.6 | -174.9 | 56.1 | 0 | 0 | 0 | 0 | 114.3 | ||
| 226 | T | 81.7 | Confident | 84.8 | Confident | 96 Ų | 96 | 66.5 Ų | 66.5 | 59% | 0.589 | 37% | 0.374 | S | S | * | . | S | Bend | trans | -104.5 | -11.1 | -173.8 | 54.9 | 0 | 0 | 0 | 0 | 114.1 | I224 R241 | I224-T226 VanDerWaalsContact C-N 3.29Å; I224-T226 PolarHBondContact O-N 3.46Å; T226-R241 WeakPolarHBondContact O-CB 2.97Å; T226-R241 PolarHBondContact O-N 2.77Å |
| 227 | A | 87.4 | Confident | 85.3 | Confident | 4 Ų | 4 | 66.9 Ų | 66.9 | 3% | 0.033 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.8 | 159.8 | -174.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | S222 I224 L238 L239 | S222-A227 PolarHBondContact OG-O 2.69Å; I224-A227 WeakPolarHBondContact CB-O 3.17Å; I224-A227 HydrophobicContact CG2-CB 4.32Å; A227-L238 HydrophobicContact CB-CD1 3.72Å; A227-L238 HydrophobicContact CB-CG 4.28Å; A227-L239 CarbonylContact C-O 3.54Å; A227-L239 WeakPolarHBondContact CA-O 3.5Å; A227-L239 WeakPolarHBondContact CB-O 3.25Å |
| 228 | C | 89.1 | Confident | 85.7 | Confident | 1 Ų | 1 | 68.3 Ų | 68.3 | 1% | 0.007 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 112.5 | 174.9 | -59.1 | 0 | 0 | 0 | 0 | 108.5 | L239 C254 S263 L264 | C228-L239 PolarHBondContact N-O 3.27Å; C228-L239 PolarHBondContact O-N 2.03Å; C228-C254 HydrophobicContact CB-CB 3.65Å; C228-C254 WeakPolarHBondContact CB-SG 3.21Å; C228-C254 PolarHBondContact N-SG 3.37Å; C228-C254 WeakPolarHBondContact SG-CA 3.18Å; C228-C254 WeakPolarHBondContact SG-CB 3.47Å; C228-C254 CovalentContact SG-SG 2.04Å; C228-C254 PolarHBondContact SG-SG 3.05Å; C228-S263 VanDerWaalsContact SG-C 3.57Å; C228-L264 HydrophobicContact CB-CB 4Å; C228-L264 HydrophobicContact CB-CD1 3.97Å |
| 229 | Q | 90.9 | Very high | 85.9 | Confident | 106 Ų | 106 | 64.1 Ų | 64.1 | 50% | 0.495 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 125.6 | 174.1 | -168.9 | 176.5 | 21.8 | 0 | 0 | 109.7 | I224 Y237 L238 | I224-Q229 HydrophobicContact CD1-CB 4.17Å; Q229-Y237 WeakPolarHBondContact CA-O 3.04Å; Q229-L238 HydrophobicContact CB-CD1 3.99Å; Q229-L238 HydrophobicContact CG-CD1 4.4Å |
| 230 | F | 91.1 | Very high | 85.9 | Confident | 20 Ų | 20 | 68.1 Ų | 68.1 | 9% | 0.088 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.3 | 168.6 | 180 | 60 | -78.4 | 0 | 0 | 0 | 111.2 | V232 R236 Y237 L239 I247 Y252 L264 | F230-V232 HydrophobicContact CD2-CG2 3.73Å; F230-V232 HydrophobicContact CE2-CG2 3.72Å; F230-R236 WeakPolarHBondContact O-CA 3.21Å; F230-Y237 HydrophobicContact CE2-CD2 4.26Å; F230-Y237 HydrophobicContact CE2-CG 4.14Å; F230-Y237 HydrophobicContact CZ-CG 4.23Å; F230-Y237 PolarHBondContact N-O 3.4Å; F230-Y237 PolarHBondContact O-N 2.9Å; F230-L239 HydrophobicContact CE1-CB 4.41Å; F230-L239 HydrophobicContact CE1-CD1 3.57Å; F230-L239 HydrophobicContact CE1-CG 3.72Å; F230-L239 HydrophobicContact CZ-CD1 3.72Å; F230-L239 HydrophobicContact CZ-CG 4.1Å; F230-I247 HydrophobicContact CE2-CD1 3.54Å; F230-I247 HydrophobicContact CZ-CD1 3.87Å; F230-Y252 AromaticContact CD2-CD1 3.75Å; F230-Y252 HydrophobicContact CD2-CD1 3.75Å; F230-Y252 AromaticContact CD2-CE1 3.98Å; F230-Y252 HydrophobicContact CD2-CE1 3.98Å; F230-Y252 AromaticContact CE2-CD1 3.24Å; F230-Y252 HydrophobicContact CE2-CD1 3.24Å; F230-Y252 HydrophobicContact CE2-CD2 4.4Å; F230-Y252 AromaticContact CE2-CE1 3.75Å; F230-Y252 HydrophobicContact CE2-CE1 3.75Å; F230-Y252 AromaticContact CE2-CG 3.62Å; F230-Y252 HydrophobicContact CE2-CG 3.62Å; F230-Y252 AromaticContact CZ-CD1 3.78Å; F230-Y252 HydrophobicContact CZ-CD1 3.78Å; F230-Y252 AromaticContact CZ-CG 3.83Å; F230-Y252 HydrophobicContact CZ-CG 3.83Å; F230-L264 HydrophobicContact CB-CD2 3.44Å; F230-L264 VanDerWaalsContact CB-CD2 3.44Å; F230-L264 HydrophobicContact CD1-CD1 3.67Å; F230-L264 HydrophobicContact CD1-CD2 3.54Å; F230-L264 HydrophobicContact CD1-CG 4.25Å; F230-L264 HydrophobicContact CD2-CD2 4.02Å; F230-L264 HydrophobicContact CE1-CD1 3.64Å; F230-L264 HydrophobicContact CE1-CD2 4.28Å; F230-L264 HydrophobicContact CG-CD1 4.28Å; F230-L264 HydrophobicContact CG-CD2 3.39Å; F230-L264 HydrophobicContact CG-CG 4.49Å; F230-L264 HydrophobicContact CZ-CD1 4.2Å |
| 231 | T | 87.9 | Confident | 85.7 | Confident | 80 Ų | 80 | 68.6 Ų | 68.6 | 49% | 0.491 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 126.1 | -178.4 | -57.2 | 0 | 0 | 0 | 0 | 109.3 | G234 K235 | T231-G234 VanDerWaalsContact CG2-CA 3.45Å; T231-K235 CarbonylContact C-O 3.56Å; T231-K235 VanDerWaalsContact CA-O 3.23Å; T231-K235 WeakPolarHBondContact CA-O 3.36Å; T231-K235 WeakPolarHBondContact CG2-O 3.44Å |
| 232 | V | 87.1 | Confident | 85.6 | Confident | 26 Ų | 26 | 68.4 Ų | 68.4 | 16% | 0.158 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 121.5 | 172.5 | -173 | 0 | 0 | 0 | 0 | 107.9 | F230 G234 K235 Y237 I247 Y252 | F230-V232 HydrophobicContact CD2-CG2 3.73Å; F230-V232 HydrophobicContact CE2-CG2 3.72Å; V232-G234 PolarHBondContact O-N 3.41Å; V232-G234 VanDerWaalsContact O-N 3.12Å; V232-K235 PolarHBondContact N-O 3.01Å; V232-K235 PolarHBondContact O-N 3.41Å; V232-Y237 HydrophobicContact CB-CD2 4.29Å; V232-Y237 HydrophobicContact CB-CE2 3.84Å; V232-Y237 HydrophobicContact CG2-CD2 4.22Å; V232-Y237 HydrophobicContact CG2-CE2 4.21Å; V232-I247 HydrophobicContact CB-CG2 4.13Å; V232-I247 HydrophobicContact CG1-CG2 3.85Å; V232-I247 HydrophobicContact CG2-CD1 3.93Å; V232-I247 HydrophobicContact CG2-CG2 4.34Å; V232-Y252 HydrophobicContact CG2-CE1 3.87Å; V232-Y252 HydrophobicContact CG2-CE2 4.32Å |
| 233 | S | 85.8 | Confident | 85.9 | Confident | 71 Ų | 71 | 74.8 Ų | 74.8 | 50% | 0.497 | 41% | 0.411 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.7 | 37.6 | -178.6 | -56.5 | 0 | 0 | 0 | 0 | 114 | K235 | S233-K235 VanDerWaalsContact C-N 3.3Å; S233-K235 PolarHBondContact O-N 2.82Å |
| 234 | G | 83.6 | Confident | 86.4 | Confident | 66 Ų | 66 | 71 Ų | 71 | 68% | 0.68 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.1 | -10.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | T231 V232 | T231-G234 VanDerWaalsContact CG2-CA 3.45Å; V232-G234 PolarHBondContact O-N 3.41Å; V232-G234 VanDerWaalsContact O-N 3.12Å |
| 235 | K | 81 | Confident | 86.9 | Confident | 135 Ų | 135 | 72.2 Ų | 72.2 | 59% | 0.587 | 40% | 0.396 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 128 | 174.8 | -174.6 | 167 | 178.3 | 176.2 | 0 | 110 | T231 V232 S233 Y237 | T231-K235 CarbonylContact C-O 3.56Å; T231-K235 VanDerWaalsContact CA-O 3.23Å; T231-K235 WeakPolarHBondContact CA-O 3.36Å; T231-K235 WeakPolarHBondContact CG2-O 3.44Å; V232-K235 PolarHBondContact N-O 3.01Å; V232-K235 PolarHBondContact O-N 3.41Å; S233-K235 VanDerWaalsContact C-N 3.3Å; S233-K235 PolarHBondContact O-N 2.82Å; K235-Y237 HydrophobicContact CB-CE2 3.79Å; K235-Y237 HydrophobicContact CD-CE2 4.31Å; K235-Y237 HydrophobicContact CG-CE2 3.84Å; K235-Y237 WeakPolarHBondContact O-CD2 3.12Å; K235-Y237 VanDerWaalsContact O-CE2 3.24Å; K235-Y237 WeakPolarHBondContact O-CE2 2.98Å |
| 236 | R | 90.5 | Very high | 87.3 | Confident | 191 Ų | 191 | 76.6 Ų | 76.6 | 72% | 0.721 | 40% | 0.401 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 135.9 | 175.9 | -73.8 | -179 | 171.1 | -178.3 | -3.4 | 110.2 | F230 | F230-R236 WeakPolarHBondContact O-CA 3.21Å |
| 237 | Y | 90.9 | Very high | 87.5 | Confident | 42 Ų | 42 | 73.2 Ų | 73.2 | 17% | 0.165 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 148.3 | 175.4 | -65.5 | -94.9 | 0 | 0 | 0 | 109 | Q229 F230 V232 K235 I247 | Q229-Y237 WeakPolarHBondContact CA-O 3.04Å; F230-Y237 HydrophobicContact CE2-CD2 4.26Å; F230-Y237 HydrophobicContact CE2-CG 4.14Å; F230-Y237 HydrophobicContact CZ-CG 4.23Å; F230-Y237 PolarHBondContact N-O 3.4Å; F230-Y237 PolarHBondContact O-N 2.9Å; V232-Y237 HydrophobicContact CB-CD2 4.29Å; V232-Y237 HydrophobicContact CB-CE2 3.84Å; V232-Y237 HydrophobicContact CG2-CD2 4.22Å; V232-Y237 HydrophobicContact CG2-CE2 4.21Å; K235-Y237 HydrophobicContact CB-CE2 3.79Å; K235-Y237 HydrophobicContact CD-CE2 4.31Å; K235-Y237 HydrophobicContact CG-CE2 3.84Å; K235-Y237 WeakPolarHBondContact O-CD2 3.12Å; K235-Y237 VanDerWaalsContact O-CE2 3.24Å; K235-Y237 WeakPolarHBondContact O-CE2 2.98Å; Y237-I247 HydrophobicContact CD1-CD1 3.66Å; Y237-I247 HydrophobicContact CD1-CG1 4.4Å; Y237-I247 HydrophobicContact CD2-CD1 3.97Å; Y237-I247 HydrophobicContact CE1-CD1 3.63Å; Y237-I247 HydrophobicContact CE1-CG1 4Å; Y237-I247 HydrophobicContact CE2-CD1 3.98Å; Y237-I247 HydrophobicContact CG-CD1 3.82Å |
| 238 | L | 92.4 | Very high | 87.6 | Confident | 104 Ų | 104 | 75.8 Ų | 75.8 | 55% | 0.545 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 115.1 | 174 | -174.5 | 70 | 0 | 0 | 0 | 107.2 | A227 Q229 | A227-L238 HydrophobicContact CB-CD1 3.72Å; A227-L238 HydrophobicContact CB-CG 4.28Å; Q229-L238 HydrophobicContact CB-CD1 3.99Å; Q229-L238 HydrophobicContact CG-CD1 4.4Å |
| 239 | L | 89.1 | Confident | 87.4 | Confident | 12 Ų | 12 | 83.3 Ų | 83.3 | 6% | 0.063 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 124.7 | 173.7 | -67.2 | 177.3 | 0 | 0 | 0 | 108.9 | A227 C228 F230 Q245 Y252 C254 L264 | A227-L239 CarbonylContact C-O 3.54Å; A227-L239 WeakPolarHBondContact CA-O 3.5Å; A227-L239 WeakPolarHBondContact CB-O 3.25Å; C228-L239 PolarHBondContact N-O 3.27Å; C228-L239 PolarHBondContact O-N 2.03Å; F230-L239 HydrophobicContact CE1-CB 4.41Å; F230-L239 HydrophobicContact CE1-CD1 3.57Å; F230-L239 HydrophobicContact CE1-CG 3.72Å; F230-L239 HydrophobicContact CZ-CD1 3.72Å; F230-L239 HydrophobicContact CZ-CG 4.1Å; L239-Q245 HydrophobicContact CD1-CB 4.32Å; L239-Q245 HydrophobicContact CD2-CB 3.58Å; L239-Y252 VanDerWaalsContact CD1-O 3.3Å; L239-Y252 WeakPolarHBondContact CD1-O 3.49Å; L239-C254 HydrophobicContact CB-CB 3.77Å; L239-C254 PolarHBondContact O-SG 3.31Å; L239-L264 HydrophobicContact CD1-CD1 4.46Å |
| 240 | N | 87.7 | Confident | 87.3 | Confident | 95 Ų | 95 | 84.5 Ų | 84.5 | 51% | 0.508 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66 | 151.8 | 170.3 | -67.5 | -31.1 | 0 | 0 | 0 | 109.6 | G242 Y243 | N240-G242 PolarHBondContact O-N 3.31Å; N240-Y243 HydrophobicContact CB-CD2 3.68Å; N240-Y243 HydrophobicContact CB-CE2 4.1Å; N240-Y243 WeakPolarHBondContact O-CB 3.45Å; N240-Y243 PolarHBondContact O-N 2.7Å; N240-Y243 VanDerWaalsContact O-N 3.09Å |
| 241 | R | 82.3 | Confident | 87.2 | Confident | 69 Ų | 69 | 85.2 Ų | 85.2 | 26% | 0.26 | 44% | 0.439 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -49.5 | 134 | 172.9 | 167.4 | 177.6 | -93.2 | -176.3 | -4.7 | 111.4 | T226 Y243 G256 S257 E260 | T226-R241 WeakPolarHBondContact O-CB 2.97Å; T226-R241 PolarHBondContact O-N 2.77Å; R241-Y243 VanDerWaalsContact C-N 3.31Å; R241-Y243 WeakPolarHBondContact O-CD2 2.98Å; R241-G256 PolarHBondContact NE-O 3.5Å; R241-G256 VanDerWaalsContact NH2-CA 3.29Å; R241-S257 VanDerWaalsContact NH1-C 3.33Å; R241-S257 PolarHBondContact NH1-O 3.4Å; R241-S257 PolarHBondContact NH2-O 2.87Å; R241-E260 PolarHBondContact NH2-O 3.5Å |
| 242 | G | 83.3 | Confident | 87.4 | Confident | 49 Ų | 49 | 82.6 Ų | 82.6 | 51% | 0.505 | 42% | 0.421 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 84.4 | -1.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | N240 F253 C254 | N240-G242 PolarHBondContact O-N 3.31Å; G242-F253 WeakPolarHBondContact O-CE2 3.45Å; G242-C254 PolarHBondContact N-O 2.82Å |
| 243 | Y | 85.6 | Confident | 87.6 | Confident | 152 Ų | 152 | 84.6 Ų | 84.6 | 60% | 0.596 | 43% | 0.427 | S | S | * | . | trans | -105.9 | 144.8 | 179.8 | -67.7 | -95.4 | 0 | 0 | 0 | 111.9 | N240 R241 C254 | N240-Y243 HydrophobicContact CB-CD2 3.68Å; N240-Y243 HydrophobicContact CB-CE2 4.1Å; N240-Y243 WeakPolarHBondContact O-CB 3.45Å; N240-Y243 PolarHBondContact O-N 2.7Å; N240-Y243 VanDerWaalsContact O-N 3.09Å; R241-Y243 VanDerWaalsContact C-N 3.31Å; R241-Y243 WeakPolarHBondContact O-CD2 2.98Å; Y243-C254 PolarHBondContact O-N 3.3Å | ||
| 244 | G | 88 | Confident | 87.9 | Confident | 42 Ų | 42 | 81.2 Ų | 81.2 | 43% | 0.433 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 153 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y252 | G244-Y252 CarbonylContact C-O 3.58Å; G244-Y252 WeakPolarHBondContact CA-O 3.3Å |
| 245 | Q | 89.1 | Confident | 88.1 | Confident | 82 Ų | 82 | 82.8 Ų | 82.8 | 38% | 0.383 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 133.8 | 174.5 | -175.2 | 171.6 | 21.5 | 0 | 0 | 110.4 | L239 I247 Y252 | L239-Q245 HydrophobicContact CD1-CB 4.32Å; L239-Q245 HydrophobicContact CD2-CB 3.58Å; Q245-I247 HydrophobicContact CG-CG1 4.32Å; Q245-Y252 PolarHBondContact N-O 2.98Å; Q245-Y252 PolarHBondContact O-N 3.14Å |
| 246 | W | 89.8 | Confident | 88.2 | Confident | 166 Ų | 166 | 77.8 Ų | 77.8 | 63% | 0.629 | 38% | 0.38 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 127.6 | 169.1 | -72.6 | 92.3 | 0 | 0 | 0 | 110.2 | R249 I251 | W246-R249 WeakPolarHBondContact CZ3-O 3.29Å; W246-I251 HydrophobicContact CD2-CB 3.91Å; W246-I251 HydrophobicContact CE3-CB 4.04Å; W246-I251 HydrophobicContact CH2-CB 4.04Å; W246-I251 HydrophobicContact CH2-CG2 4.13Å; W246-I251 HydrophobicContact CZ2-CB 3.91Å; W246-I251 HydrophobicContact CZ2-CD1 4.23Å; W246-I251 HydrophobicContact CZ2-CG2 4.24Å; W246-I251 HydrophobicContact CZ3-CB 4.1Å; W246-I251 HydrophobicContact CZ3-CG2 4.45Å |
| 247 | I | 85.9 | Confident | 87.4 | Confident | 24 Ų | 24 | 71 Ų | 71 | 12% | 0.123 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 104.2 | 171.7 | -56.3 | 167.1 | 0 | 0 | 0 | 107 | F230 V232 Y237 Q245 R249 R250 Y252 | F230-I247 HydrophobicContact CE2-CD1 3.54Å; F230-I247 HydrophobicContact CZ-CD1 3.87Å; V232-I247 HydrophobicContact CB-CG2 4.13Å; V232-I247 HydrophobicContact CG1-CG2 3.85Å; V232-I247 HydrophobicContact CG2-CD1 3.93Å; V232-I247 HydrophobicContact CG2-CG2 4.34Å; Y237-I247 HydrophobicContact CD1-CD1 3.66Å; Y237-I247 HydrophobicContact CD1-CG1 4.4Å; Y237-I247 HydrophobicContact CD2-CD1 3.97Å; Y237-I247 HydrophobicContact CE1-CD1 3.63Å; Y237-I247 HydrophobicContact CE1-CG1 4Å; Y237-I247 HydrophobicContact CE2-CD1 3.98Å; Y237-I247 HydrophobicContact CG-CD1 3.82Å; Q245-I247 HydrophobicContact CG-CG1 4.32Å; I247-R249 PolarHBondContact O-N 3.13Å; I247-R250 PolarHBondContact N-O 2.83Å; I247-R250 PolarHBondContact O-N 2.84Å; I247-Y252 HydrophobicContact CB-CD2 3.86Å; I247-Y252 HydrophobicContact CB-CE2 3.7Å; I247-Y252 HydrophobicContact CD1-CD2 3.78Å; I247-Y252 HydrophobicContact CD1-CE2 4.09Å; I247-Y252 HydrophobicContact CD1-CG 4.14Å; I247-Y252 HydrophobicContact CG1-CD2 4Å; I247-Y252 HydrophobicContact CG1-CE2 4.29Å |
| 248 | G | 88.6 | Confident | 86.4 | Confident | 59 Ų | 59 | 73.1 Ų | 73.1 | 61% | 0.608 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.2 | -125.9 | -167.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||
| 249 | R | 84.8 | Confident | 85.6 | Confident | 159 Ų | 159 | 76.9 Ų | 76.9 | 60% | 0.6 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.2 | 4.8 | 179.1 | -65.7 | -173.5 | 178.1 | 162.6 | 10.9 | 114.5 | E71 W246 I247 | E71-R249 IonicContact OE1-CZ 3.22Å; E71-R249 IonicContact OE1-NE 2.96Å; E71-R249 PolarHBondContact OE1-NE 3.45Å; E71-R249 IonicContact OE1-NH1 3.81Å; E71-R249 PolarHBondContact OE1-NH1 3Å; E71-R249 IonicContact OE1-NH2 2.98Å; E71-R249 PolarHBondContact OE1-NH2 3.28Å; W246-R249 WeakPolarHBondContact CZ3-O 3.29Å; I247-R249 PolarHBondContact O-N 3.13Å |
| 250 | R | 88.2 | Confident | 85.2 | Confident | 131 Ų | 131 | 82.6 Ų | 82.6 | 49% | 0.494 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 136.9 | -179.6 | -64 | -175.9 | -178.5 | 175.9 | -0.2 | 109.3 | I247 Y252 V266 N267 | I247-R250 PolarHBondContact N-O 2.83Å; I247-R250 PolarHBondContact O-N 2.84Å; R250-Y252 HydrophobicContact CB-CD2 4.38Å; R250-Y252 HydrophobicContact CB-CE2 3.76Å; R250-V266 HydrophobicContact CB-CG1 4.12Å; R250-N267 WeakPolarHBondContact CG-O 3.35Å |
| 251 | I | 90.7 | Very high | 84.9 | Confident | 35 Ų | 35 | 80.4 Ų | 80.4 | 18% | 0.179 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 128.7 | 167.5 | -177.3 | 166.7 | 0 | 0 | 0 | 108.4 | W217 W246 V266 N267 | W217-I251 HydrophobicContact CH2-CB 4.39Å; W217-I251 HydrophobicContact CH2-CD1 4.46Å; W217-I251 HydrophobicContact CH2-CG1 4.28Å; W217-I251 HydrophobicContact CH2-CG2 3.37Å; W217-I251 HydrophobicContact CZ2-CG2 4.06Å; W217-I251 HydrophobicContact CZ3-CG2 3.9Å; W246-I251 HydrophobicContact CD2-CB 3.91Å; W246-I251 HydrophobicContact CE3-CB 4.04Å; W246-I251 HydrophobicContact CH2-CB 4.04Å; W246-I251 HydrophobicContact CH2-CG2 4.13Å; W246-I251 HydrophobicContact CZ2-CB 3.91Å; W246-I251 HydrophobicContact CZ2-CD1 4.23Å; W246-I251 HydrophobicContact CZ2-CG2 4.24Å; W246-I251 HydrophobicContact CZ3-CB 4.1Å; W246-I251 HydrophobicContact CZ3-CG2 4.45Å; I251-V266 WeakPolarHBondContact O-CA 3.27Å; I251-N267 HydrophobicContact CG2-CB 3.32Å; I251-N267 PolarHBondContact O-N 3.15Å |
| 252 | Y | 91.5 | Very high | 85.1 | Confident | 25 Ų | 25 | 77.1 Ų | 77.1 | 10% | 0.098 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 122.1 | 173 | -68.3 | -102.8 | 0 | 0 | 0 | 106.6 | F230 V232 L239 G244 Q245 I247 R250 L264 C265 V266 | F230-Y252 AromaticContact CD2-CD1 3.75Å; F230-Y252 HydrophobicContact CD2-CD1 3.75Å; F230-Y252 AromaticContact CD2-CE1 3.98Å; F230-Y252 HydrophobicContact CD2-CE1 3.98Å; F230-Y252 AromaticContact CE2-CD1 3.24Å; F230-Y252 HydrophobicContact CE2-CD1 3.24Å; F230-Y252 HydrophobicContact CE2-CD2 4.4Å; F230-Y252 AromaticContact CE2-CE1 3.75Å; F230-Y252 HydrophobicContact CE2-CE1 3.75Å; F230-Y252 AromaticContact CE2-CG 3.62Å; F230-Y252 HydrophobicContact CE2-CG 3.62Å; F230-Y252 AromaticContact CZ-CD1 3.78Å; F230-Y252 HydrophobicContact CZ-CD1 3.78Å; F230-Y252 AromaticContact CZ-CG 3.83Å; F230-Y252 HydrophobicContact CZ-CG 3.83Å; V232-Y252 HydrophobicContact CG2-CE1 3.87Å; V232-Y252 HydrophobicContact CG2-CE2 4.32Å; L239-Y252 VanDerWaalsContact CD1-O 3.3Å; L239-Y252 WeakPolarHBondContact CD1-O 3.49Å; G244-Y252 CarbonylContact C-O 3.58Å; G244-Y252 WeakPolarHBondContact CA-O 3.3Å; Q245-Y252 PolarHBondContact N-O 2.98Å; Q245-Y252 PolarHBondContact O-N 3.14Å; I247-Y252 HydrophobicContact CB-CD2 3.86Å; I247-Y252 HydrophobicContact CB-CE2 3.7Å; I247-Y252 HydrophobicContact CD1-CD2 3.78Å; I247-Y252 HydrophobicContact CD1-CE2 4.09Å; I247-Y252 HydrophobicContact CD1-CG 4.14Å; I247-Y252 HydrophobicContact CG1-CD2 4Å; I247-Y252 HydrophobicContact CG1-CE2 4.29Å; R250-Y252 HydrophobicContact CB-CD2 4.38Å; R250-Y252 HydrophobicContact CB-CE2 3.76Å; Y252-L264 HydrophobicContact CD1-CD1 4.33Å; Y252-L264 HydrophobicContact CD1-CD2 4.48Å; Y252-C265 CarbonylContact C-O 3.6Å; Y252-C265 WeakPolarHBondContact CA-O 3.49Å; Y252-V266 HydrophobicContact CD1-CB 4.48Å; Y252-V266 HydrophobicContact CD1-CG1 4.23Å; Y252-V266 HydrophobicContact CD1-CG2 3.56Å; Y252-V266 HydrophobicContact CE1-CB 4.45Å; Y252-V266 HydrophobicContact CE1-CG1 3.92Å; Y252-V266 HydrophobicContact CE1-CG2 3.62Å; Y252-V266 HydrophobicContact CE2-CG1 4.38Å; Y252-V266 HydrophobicContact CG-CG2 4.43Å |
| 253 | F | 90.8 | Very high | 85.3 | Confident | 67 Ų | 67 | 75.9 Ų | 75.9 | 29% | 0.294 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 131.9 | -177.3 | -177.3 | -108.3 | 0 | 0 | 0 | 109.7 | W217 G242 E255 C265 | W217-F253 HydrophobicContact CH2-CB 4.17Å; W217-F253 HydrophobicContact CZ3-CB 3.86Å; G242-F253 WeakPolarHBondContact O-CE2 3.45Å; F253-E255 HydrophobicContact CD1-CB 3.9Å; F253-E255 HydrophobicContact CE1-CB 3.8Å; F253-E255 HydrophobicContact CE1-CG 4.18Å; F253-C265 PolarHBondContact N-O 2.98Å; F253-C265 PolarHBondContact O-N 3.13Å |
| 254 | C | 91.7 | Very high | 85.6 | Confident | 0 Ų | 0 | 69.2 Ų | 69.2 | 0% | 0 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 94.3 | 176.1 | -169.3 | 0 | 0 | 0 | 0 | 110.1 | C228 L239 G242 Y243 S263 | C228-C254 HydrophobicContact CB-CB 3.65Å; C228-C254 WeakPolarHBondContact CB-SG 3.21Å; C228-C254 PolarHBondContact N-SG 3.37Å; C228-C254 WeakPolarHBondContact SG-CA 3.18Å; C228-C254 WeakPolarHBondContact SG-CB 3.47Å; C228-C254 CovalentContact SG-SG 2.04Å; C228-C254 PolarHBondContact SG-SG 3.05Å; L239-C254 HydrophobicContact CB-CB 3.77Å; L239-C254 PolarHBondContact O-SG 3.31Å; G242-C254 PolarHBondContact N-O 2.82Å; Y243-C254 PolarHBondContact O-N 3.3Å; C254-S263 CarbonylContact C-O 3.48Å |
| 255 | E | 88.1 | Confident | 85.8 | Confident | 99 Ų | 99 | 67.3 Ų | 67.3 | 46% | 0.463 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 155.3 | -179.5 | -171.3 | 165.6 | -147.7 | 0 | 0 | 111.5 | F253 A262 S263 C265 | F253-E255 HydrophobicContact CD1-CB 3.9Å; F253-E255 HydrophobicContact CE1-CB 3.8Å; F253-E255 HydrophobicContact CE1-CG 4.18Å; E255-A262 CarbonylContact O-C 3.51Å; E255-A262 VanDerWaalsContact O-CA 3.25Å; E255-A262 WeakPolarHBondContact O-CA 3.28Å; E255-S263 PolarHBondContact N-O 3.26Å; E255-S263 PolarHBondContact O-N 1.98Å; E255-C265 PolarHBondContact OE2-SG 2.96Å; E255-C265 VanDerWaalsContact OE2-SG 3.41Å |
| 256 | G | 82.6 | Confident | 85.9 | Confident | 30 Ų | 30 | 64.1 Ų | 64.1 | 31% | 0.309 | 34% | 0.336 | S | S | . | . | trans | 169.5 | 149.7 | 160.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | R241 | R241-G256 PolarHBondContact NE-O 3.5Å; R241-G256 VanDerWaalsContact NH2-CA 3.29Å | ||
| 257 | S | 73.3 | Confident | 85.8 | Confident | 50 Ų | 50 | 58.6 Ų | 58.6 | 35% | 0.35 | 32% | 0.319 | S | S | . | . | trans | -91.9 | 153.6 | 176.8 | 74.5 | 0 | 0 | 0 | 0 | 111.8 | R241 H259 E260 | R241-S257 VanDerWaalsContact NH1-C 3.33Å; R241-S257 PolarHBondContact NH1-O 3.4Å; R241-S257 PolarHBondContact NH2-O 2.87Å; S257-H259 PolarHBondContact O-N 3.3Å; S257-E260 PolarHBondContact O-N 3.4Å; S257-E260 WeakPolarHBondContact OG-CB 3.38Å; S257-E260 VanDerWaalsContact OG-CG 3.27Å; S257-E260 WeakPolarHBondContact OG-CG 3.4Å; S257-E260 PolarHBondContact OG-OE2 3.15Å | ||
| 258 | A | 71.5 | Confident | 85.4 | Confident | 86 Ų | 86 | 63.5 Ų | 63.5 | 71% | 0.711 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.3 | -21.7 | -175.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 259 | H | 75.6 | Confident | 85.2 | Confident | 183 Ų | 183 | 63.8 Ų | 63.8 | 85% | 0.847 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.5 | -2.2 | -177.7 | -58.2 | -62.3 | 0 | 0 | 0 | 115.2 | S257 | S257-H259 PolarHBondContact O-N 3.3Š|
| 260 | E | 79.8 | Confident | 85.3 | Confident | 132 Ų | 132 | 58.7 Ų | 58.7 | 62% | 0.617 | 33% | 0.329 | S | S | * | . | S | Bend | trans | -116 | 162.6 | -176.6 | -67.4 | 168.8 | 157.5 | 0 | 0 | 112 | R241 S257 | R241-E260 PolarHBondContact NH2-O 3.5Å; S257-E260 PolarHBondContact O-N 3.4Å; S257-E260 WeakPolarHBondContact OG-CB 3.38Å; S257-E260 VanDerWaalsContact OG-CG 3.27Å; S257-E260 WeakPolarHBondContact OG-CG 3.4Å; S257-E260 PolarHBondContact OG-OE2 3.15Å |
| 261 | A | 81.9 | Confident | 85.1 | Confident | 49 Ų | 49 | 54.7 Ų | 54.7 | 41% | 0.405 | 32% | 0.32 | S | S | . | . | trans | -62.8 | 154.2 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 262 | A | 85.6 | Confident | 84.8 | Confident | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 33% | 0.328 | C | S | . | . | trans | -69.3 | 144.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | S222 I224 E255 | S222-A262 WeakPolarHBondContact CA-O 2.96Å; S222-A262 WeakPolarHBondContact CB-O 2.77Å; S222-A262 PolarHBondContact N-O 3.28Å; I224-A262 WeakPolarHBondContact O-CB 3.4Å; E255-A262 CarbonylContact O-C 3.51Å; E255-A262 VanDerWaalsContact O-CA 3.25Å; E255-A262 WeakPolarHBondContact O-CA 3.28Å | ||
| 263 | S | 88.8 | Confident | 84.3 | Confident | 23 Ų | 23 | 57.8 Ų | 57.8 | 16% | 0.161 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 127.8 | 176.8 | -71.5 | 0 | 0 | 0 | 0 | 109.7 | M220 C228 C254 E255 C265 | M220-S263 CarbonylContact O-C 3.46Å; M220-S263 WeakPolarHBondContact O-CA 3.19Å; C228-S263 VanDerWaalsContact SG-C 3.57Å; C254-S263 CarbonylContact C-O 3.48Å; E255-S263 PolarHBondContact N-O 3.26Å; E255-S263 PolarHBondContact O-N 1.98Å; S263-C265 PolarHBondContact O-N 3.35Å |
| 264 | L | 91.9 | Very high | 83.9 | Confident | 12 Ų | 12 | 57.2 Ų | 57.2 | 6% | 0.063 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 111.2 | 172.8 | 179.6 | 67.1 | 0 | 0 | 0 | 109.5 | C219 M220 C228 F230 L239 Y252 V266 | C219-L264 CarbonylContact C-O 3.56Å; C219-L264 VanDerWaalsContact CA-O 3.27Å; C219-L264 WeakPolarHBondContact CA-O 3.23Å; M220-L264 HydrophobicContact CE-CD2 4.28Å; M220-L264 PolarHBondContact N-O 2.79Å; M220-L264 PolarHBondContact O-N 3.47Å; C228-L264 HydrophobicContact CB-CB 4Å; C228-L264 HydrophobicContact CB-CD1 3.97Å; F230-L264 HydrophobicContact CB-CD2 3.44Å; F230-L264 VanDerWaalsContact CB-CD2 3.44Å; F230-L264 HydrophobicContact CD1-CD1 3.67Å; F230-L264 HydrophobicContact CD1-CD2 3.54Å; F230-L264 HydrophobicContact CD1-CG 4.25Å; F230-L264 HydrophobicContact CD2-CD2 4.02Å; F230-L264 HydrophobicContact CE1-CD1 3.64Å; F230-L264 HydrophobicContact CE1-CD2 4.28Å; F230-L264 HydrophobicContact CG-CD1 4.28Å; F230-L264 HydrophobicContact CG-CD2 3.39Å; F230-L264 HydrophobicContact CG-CG 4.49Å; F230-L264 HydrophobicContact CZ-CD1 4.2Å; L239-L264 HydrophobicContact CD1-CD1 4.46Å; Y252-L264 HydrophobicContact CD1-CD1 4.33Å; Y252-L264 HydrophobicContact CD1-CD2 4.48Å; L264-V266 HydrophobicContact CG-CG2 4.42Å |
| 265 | C | 91.4 | Very high | 83.4 | Confident | 2 Ų | 2 | 61.3 Ų | 61.3 | 1% | 0.014 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 131.7 | 176.1 | -62.3 | 0 | 0 | 0 | 0 | 110.7 | W217 F218 C219 Y252 F253 E255 S263 | W217-C265 HydrophobicContact CE3-CB 3.7Å; W217-C265 HydrophobicContact CZ3-CB 4.24Å; F218-C265 CarbonylContact O-C 3.47Å; F218-C265 WeakPolarHBondContact O-CA 3.46Å; C219-C265 HydrophobicContact CB-CB 4.18Å; C219-C265 WeakPolarHBondContact CB-SG 3.25Å; C219-C265 WeakPolarHBondContact SG-CB 3.42Å; C219-C265 CovalentContact SG-SG 2.05Å; C219-C265 PolarHBondContact SG-SG 2.79Å; Y252-C265 CarbonylContact C-O 3.6Å; Y252-C265 WeakPolarHBondContact CA-O 3.49Å; F253-C265 PolarHBondContact N-O 2.98Å; F253-C265 PolarHBondContact O-N 3.13Å; E255-C265 PolarHBondContact OE2-SG 2.96Å; E255-C265 VanDerWaalsContact OE2-SG 3.41Å; S263-C265 PolarHBondContact O-N 3.35Å |
| 266 | V | 90.9 | Very high | 83 | Confident | 15 Ų | 15 | 58.4 Ų | 58.4 | 9% | 0.091 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 124.4 | 178.4 | -170.6 | 0 | 0 | 0 | 0 | 109 | W217 F218 R250 I251 Y252 L264 | W217-V266 WeakPolarHBondContact CA-O 3.19Å; F218-V266 PolarHBondContact N-O 3.01Å; F218-V266 PolarHBondContact O-N 3.03Å; R250-V266 HydrophobicContact CB-CG1 4.12Å; I251-V266 WeakPolarHBondContact O-CA 3.27Å; Y252-V266 HydrophobicContact CD1-CB 4.48Å; Y252-V266 HydrophobicContact CD1-CG1 4.23Å; Y252-V266 HydrophobicContact CD1-CG2 3.56Å; Y252-V266 HydrophobicContact CE1-CB 4.45Å; Y252-V266 HydrophobicContact CE1-CG1 3.92Å; Y252-V266 HydrophobicContact CE1-CG2 3.62Å; Y252-V266 HydrophobicContact CE2-CG1 4.38Å; Y252-V266 HydrophobicContact CG-CG2 4.43Å; L264-V266 HydrophobicContact CG-CG2 4.42Å |
| 267 | N | 88.3 | Confident | 83 | Confident | 50 Ų | 50 | 60.8 Ų | 60.8 | 27% | 0.267 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 128.1 | 174.1 | -170.3 | -78.8 | 0 | 0 | 0 | 109.9 | G216 W217 R250 I251 | G216-N267 WeakPolarHBondContact O-CA 3.41Å; W217-N267 HydrophobicContact CD2-CB 3.96Å; W217-N267 VanDerWaalsContact CE2-ND2 3.32Å; W217-N267 HydrophobicContact CE3-CB 3.84Å; W217-N267 HydrophobicContact CH2-CB 3.87Å; W217-N267 HydrophobicContact CZ2-CB 3.94Å; W217-N267 HydrophobicContact CZ3-CB 3.8Å; W217-N267 PolarHBondContact NE1-ND2 3.35Å; R250-N267 WeakPolarHBondContact CG-O 3.35Å; I251-N267 HydrophobicContact CG2-CB 3.32Å; I251-N267 PolarHBondContact O-N 3.15Å |
| 268 | S | 77.3 | Confident | 83.9 | Confident | 127 Ų | 127 | 61.7 Ų | 61.7 | 89% | 0.888 | 37% | 0.369 | S | S | * | . | trans | -89.6 | 0 | 179.4 | 63.4 | 0 | 0 | 0 | 0 | 113 | G216 | G216-S268 PolarHBondContact O-N 3.04Å; G216-S268 PolarHBondContact O-OG 2.88Å |
Retrieved 268 of 268 residues in 1240.4 ms
(Link to these results)