| 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 | P | 83.1 | Confident | 94.5 | Very high | 139 Ų | 139 | 75.1 Ų | 75.1 | 90% | 0.903 | 45% | 0.445 | S | S | * | . | 0 | 137.6 | 0 | -16.5 | 31.6 | 0 | 0 | 0 | 109.9 | L101 | P1-L101 CarbonylContact C-O 3.52Å; P1-L101 WeakPolarHBondContact CA-O 3.25Å; P1-L101 HydrophobicContact CB-CB 4.35Å; P1-L101 HydrophobicContact CB-CD2 4.4Å | |||
| 2 | V | 93 | Very high | 94.7 | Very high | 50 Ų | 50 | 69.8 Ų | 69.8 | 30% | 0.303 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 119.3 | -178 | -178 | 0 | 0 | 0 | 0 | 108.9 | V4 V10 T100 L101 V102 T103 | V2-V4 HydrophobicContact CG1-CG1 4.01Å; V2-V10 HydrophobicContact CB-CG2 4.48Å; V2-V10 HydrophobicContact CG1-CG2 3.68Å; V2-T100 HydrophobicContact CG2-CG2 3.73Å; V2-L101 PolarHBondContact N-O 3.23Å; V2-V102 HydrophobicContact CB-CG2 4.46Å; V2-V102 WeakPolarHBondContact O-CA 3.47Å; V2-T103 PolarHBondContact O-N 3.41Å; V2-T103 PolarHBondContact O-OG1 2.63Å |
| 3 | L | 94.8 | Very high | 94.9 | Very high | 116 Ų | 116 | 70.2 Ų | 70.2 | 61% | 0.607 | 42% | 0.421 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 128.6 | 177.2 | -175 | 66.9 | 0 | 0 | 0 | 109.5 | T103 S105 | L3-T103 WeakPolarHBondContact CA-O 3.41Å; L3-T103 WeakPolarHBondContact CD1-OG1 3.16Å; L3-S105 WeakPolarHBondContact CD1-OG 3.37Å |
| 4 | V | 95.1 | Very high | 95 | Very high | 20 Ų | 20 | 66.1 Ų | 66.1 | 12% | 0.121 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 158.9 | -179 | -65.5 | 0 | 0 | 0 | 0 | 111.5 | V2 A8 V10 L78 V102 T103 V104 S105 | V2-V4 HydrophobicContact CG1-CG1 4.01Å; V4-A8 HydrophobicContact CB-CB 4.21Å; V4-V10 HydrophobicContact CG1-CB 4.49Å; V4-L78 HydrophobicContact CB-CD1 4.26Å; V4-L78 HydrophobicContact CG1-CD1 4.44Å; V4-L78 HydrophobicContact CG2-CB 4.43Å; V4-L78 HydrophobicContact CG2-CD1 3.32Å; V4-L78 HydrophobicContact CG2-CG 4.5Å; V4-V102 HydrophobicContact CG2-CG1 4.44Å; V4-T103 PolarHBondContact N-O 2.95Å; V4-V104 HydrophobicContact CG2-CG2 3.89Å; V4-V104 WeakPolarHBondContact O-CA 3.23Å; V4-S105 PolarHBondContact O-N 2.67Å |
| 5 | K | 95.1 | Very high | 95 | Very high | 145 Ų | 145 | 71.8 Ų | 71.8 | 63% | 0.63 | 42% | 0.415 | S | S | * | . | trans | -81.5 | 153.7 | 172.1 | -66.1 | -174.2 | 177.5 | -174.7 | 0 | 111.2 | G7 A8 S105 | K5-G7 PolarHBondContact O-N 3.24Å; K5-A8 VanDerWaalsContact O-CB 3.23Å; K5-A8 WeakPolarHBondContact O-CB 3.25Å; K5-A8 PolarHBondContact O-N 3.02Å; K5-A8 VanDerWaalsContact O-N 3.13Å; K5-S105 WeakPolarHBondContact CA-O 3.34Å | ||
| 6 | P | 96.3 | Very high | 94.9 | Very high | 78 Ų | 78 | 68 Ų | 68 | 51% | 0.506 | 40% | 0.395 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.8 | 138 | 169.1 | -24.8 | 32.8 | 0 | 0 | 0 | 111.5 | A8 V104 S105 | P6-A8 VanDerWaalsContact C-N 3.25Å; P6-A8 PolarHBondContact O-N 2.95Å; P6-V104 HydrophobicContact CB-CG1 4.31Å; P6-V104 HydrophobicContact CG-CG1 3.94Å; P6-S105 WeakPolarHBondContact CD-O 3.41Å |
| 7 | G | 95.3 | Very high | 94.5 | Very high | 51 Ų | 51 | 69.9 Ų | 69.9 | 53% | 0.526 | 41% | 0.413 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81.2 | -9.9 | -178 | 0 | 0 | 0 | 0 | 0 | 115.2 | K5 L78 | K5-G7 PolarHBondContact O-N 3.24Å; G7-L78 PolarHBondContact N-O 2.95Å |
| 8 | A | 96.3 | Very high | 94.1 | Very high | 34 Ų | 34 | 71.1 Ų | 71.1 | 28% | 0.281 | 44% | 0.442 | S | S | . | . | trans | -72.9 | 158.3 | 175 | 0 | 0 | 0 | 0 | 0 | 112 | V4 K5 P6 S77 L78 | V4-A8 HydrophobicContact CB-CB 4.21Å; K5-A8 VanDerWaalsContact O-CB 3.23Å; K5-A8 WeakPolarHBondContact O-CB 3.25Å; K5-A8 PolarHBondContact O-N 3.02Å; K5-A8 VanDerWaalsContact O-N 3.13Å; P6-A8 VanDerWaalsContact C-N 3.25Å; P6-A8 PolarHBondContact O-N 2.95Å; A8-S77 PolarHBondContact O-N 3.07Å; A8-L78 WeakPolarHBondContact O-CB 3.48Å; A8-L78 WeakPolarHBondContact O-CG 3.36Å; A8-L78 PolarHBondContact O-N 2.82Å | ||
| 9 | S | 96.7 | Very high | 93.6 | Very high | 58 Ų | 58 | 70.3 Ų | 70.3 | 41% | 0.406 | 43% | 0.431 | S | S | . | . | trans | -100 | 151.1 | 169 | -60.8 | 0 | 0 | 0 | 0 | 110.9 | L75 N76 | S9-L75 CarbonylContact C-O 3.47Å; S9-L75 WeakPolarHBondContact CA-O 3.32Å; S9-L75 WeakPolarHBondContact CB-O 3.08Å; S9-N76 WeakPolarHBondContact OG-CA 3.37Å; S9-N76 PolarHBondContact OG-OD1 2.77Å | ||
| 10 | V | 96.8 | Very high | 93.6 | Very high | 13 Ų | 13 | 70.8 Ų | 70.8 | 8% | 0.079 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 133.3 | 172 | 69.9 | 0 | 0 | 0 | 0 | 110.3 | V2 V4 M12 E74 L75 L78 V102 | V2-V10 HydrophobicContact CB-CG2 4.48Å; V2-V10 HydrophobicContact CG1-CG2 3.68Å; V4-V10 HydrophobicContact CG1-CB 4.49Å; V10-M12 HydrophobicContact CG1-CE 4.24Å; V10-E74 CarbonylContact O-C 3.53Å; V10-E74 VanDerWaalsContact O-CA 3.3Å; V10-E74 WeakPolarHBondContact O-CA 3.25Å; V10-L75 HydrophobicContact CG1-CB 4.05Å; V10-L75 HydrophobicContact CG1-CD1 4.19Å; V10-L75 PolarHBondContact N-O 3.01Å; V10-L75 PolarHBondContact O-N 2.86Å; V10-L78 HydrophobicContact CB-CD1 4.03Å; V10-L78 HydrophobicContact CG1-CD1 3.76Å; V10-V102 HydrophobicContact CG1-CG1 4.42Å; V10-V102 HydrophobicContact CG1-CG2 4.47Å |
| 11 | K | 97.3 | Very high | 93.5 | Very high | 122 Ų | 122 | 67.8 Ų | 67.8 | 53% | 0.53 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 123.9 | 172.3 | -172.6 | 175 | -178.3 | 175.6 | 0 | 109.8 | Y72 M73 E74 | K11-Y72 HydrophobicContact CG-CD1 4.39Å; K11-M73 WeakPolarHBondContact CA-O 3.2Å; K11-E74 HydrophobicContact CB-CB 4.45Å; K11-E74 HydrophobicContact CB-CG 4.43Å; K11-E74 HydrophobicContact CG-CB 4.44Å |
| 12 | M | 96.5 | Very high | 94.1 | Very high | 11 Ų | 11 | 63.2 Ų | 63.2 | 5% | 0.054 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 148.9 | 176.5 | 58.1 | -175 | 79.1 | 0 | 0 | 110.7 | V10 W28 Y72 M73 L75 Y86 V102 | V10-M12 HydrophobicContact CG1-CE 4.24Å; M12-W28 HydrophobicContact CB-CZ3 4.48Å; M12-W28 HydrophobicContact CG-CE3 4.36Å; M12-W28 HydrophobicContact CG-CH2 3.83Å; M12-W28 HydrophobicContact CG-CZ3 3.55Å; M12-W28 HydrophobicContact SD-CE3 4Å; M12-W28 HydrophobicContact SD-CH2 4.41Å; M12-W28 HydrophobicContact SD-CZ3 3.54Å; M12-W28 VanDerWaalsContact SD-CZ3 3.54Å; M12-Y72 CarbonylContact O-C 3.51Å; M12-Y72 WeakPolarHBondContact O-CA 3.2Å; M12-M73 HydrophobicContact CE-CE 3.54Å; M12-M73 HydrophobicContact CG-CB 3.91Å; M12-M73 HydrophobicContact CG-CE 4.09Å; M12-M73 VanDerWaalsContact CG-O 3.31Å; M12-M73 WeakPolarHBondContact CG-O 3.49Å; M12-M73 PolarHBondContact N-O 3.29Å; M12-M73 PolarHBondContact O-N 2.81Å; M12-M73 HydrophobicContact SD-CB 4.5Å; M12-M73 HydrophobicContact SD-CE 3.23Å; M12-M73 WeakPolarHBondContact SD-CE 3.43Å; M12-L75 HydrophobicContact CE-CD1 3.75Å; M12-L75 HydrophobicContact CE-CG 4.46Å; M12-Y86 HydrophobicContact CE-CD1 4.31Å; M12-Y86 HydrophobicContact CE-CD2 4.11Å; M12-Y86 HydrophobicContact CE-CG 3.8Å; M12-Y86 VanDerWaalsContact SD-CB 3.55Å; M12-Y86 HydrophobicContact SD-CG 4.2Å; M12-V102 HydrophobicContact CE-CG2 4.11Å |
| 13 | S | 97.1 | Very high | 94.1 | Very high | 75 Ų | 75 | 65.9 Ų | 65.9 | 52% | 0.524 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 151.4 | -178.6 | 63.3 | 0 | 0 | 0 | 0 | 111.3 | A71 Y72 | S13-A71 CarbonylContact C-O 3.54Å; S13-A71 WeakPolarHBondContact CA-O 3.46Å; S13-Y72 VanDerWaalsContact CB-CE1 3.41Å |
| 14 | C | 96.9 | Very high | 94 | Very high | 14 Ų | 14 | 65.1 Ų | 65.1 | 10% | 0.095 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 106.1 | 173 | -178.3 | 0 | 0 | 0 | 0 | 108.7 | M26 W28 T70 A71 C88 | C14-M26 VanDerWaalsContact SG-SD 3.69Å; C14-W28 HydrophobicContact CB-CH2 3.74Å; C14-W28 HydrophobicContact CB-CZ2 3.95Å; C14-T70 WeakPolarHBondContact O-CA 3.16Å; C14-A71 PolarHBondContact N-O 3.29Å; C14-A71 PolarHBondContact O-N 2.76Å; C14-C88 HydrophobicContact CB-CB 3.44Å; C14-C88 VanDerWaalsContact CB-CB 3.44Å; C14-C88 WeakPolarHBondContact CB-SG 3.42Å; C14-C88 WeakPolarHBondContact SG-CB 3.36Å; C14-C88 CovalentContact SG-SG 2.02Å; C14-C88 PolarHBondContact SG-SG 2.92Å |
| 15 | K | 95.7 | Very high | 94.1 | Very high | 151 Ų | 151 | 70.3 Ų | 70.3 | 66% | 0.657 | 41% | 0.405 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 123.3 | 179.3 | -174.5 | 172.4 | -177.3 | 179.1 | 0 | 109.7 | ||
| 16 | A | 92 | Very high | 94.2 | Very high | 11 Ų | 11 | 63.5 Ų | 63.5 | 9% | 0.091 | 38% | 0.375 | C | S | . | . | trans | -74.8 | 147.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | Y19 F21 S69 | A16-Y19 HydrophobicContact CB-CE1 4.27Å; A16-Y19 HydrophobicContact CB-CE2 3.81Å; A16-Y19 WeakPolarHBondContact CB-OH 3.31Å; A16-F21 HydrophobicContact CB-CB 4.03Å; A16-F21 HydrophobicContact CB-CD2 3.32Å; A16-F21 HydrophobicContact CB-CE2 4.04Å; A16-F21 HydrophobicContact CB-CG 3.96Å; A16-S69 PolarHBondContact N-O 2.78Å | ||
| 17 | S | 88.9 | Confident | 94.3 | Very high | 100 Ų | 100 | 60.6 Ų | 60.6 | 70% | 0.699 | 36% | 0.355 | S | S | * | . | trans | -149.5 | 149.2 | 174.7 | 64.5 | 0 | 0 | 0 | 0 | 110.1 | Y19 | S17-Y19 VanDerWaalsContact C-N 3.33Å; S17-Y19 VanDerWaalsContact O-CD1 3.23Å; S17-Y19 WeakPolarHBondContact O-CD1 3.49Å; S17-Y19 WeakPolarHBondContact O-CE1 3.24Å; S17-Y19 PolarHBondContact O-N 3.21Å | ||
| 18 | G | 86.4 | Confident | 94.4 | Very high | 92 Ų | 92 | 58.4 Ų | 58.4 | 95% | 0.948 | 33% | 0.331 | S | S | * | . | S | Bend | trans | 80.5 | 3.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||
| 19 | Y | 86.3 | Confident | 94.5 | Very high | 56 Ų | 56 | 57 Ų | 57 | 22% | 0.22 | 32% | 0.319 | C | S | . | . | S | Bend | trans | -155.1 | 164.3 | 175.4 | 60.1 | -93.9 | 0 | 0 | 0 | 111.3 | A16 S17 F21 Y24 S90 | A16-Y19 HydrophobicContact CB-CE1 4.27Å; A16-Y19 HydrophobicContact CB-CE2 3.81Å; A16-Y19 WeakPolarHBondContact CB-OH 3.31Å; S17-Y19 VanDerWaalsContact C-N 3.33Å; S17-Y19 VanDerWaalsContact O-CD1 3.23Å; S17-Y19 WeakPolarHBondContact O-CD1 3.49Å; S17-Y19 WeakPolarHBondContact O-CE1 3.24Å; S17-Y19 PolarHBondContact O-N 3.21Å; Y19-F21 PolarHBondContact O-N 3.34Å; Y19-F21 VanDerWaalsContact O-N 3.15Å; Y19-Y24 AromaticContact CD2-CD2 3.44Å; Y19-Y24 HydrophobicContact CD2-CD2 3.44Å; Y19-Y24 VanDerWaalsContact CD2-CD2 3.44Å; Y19-Y24 AromaticContact CD2-CE2 3.96Å; Y19-Y24 HydrophobicContact CD2-CE2 3.96Å; Y19-Y24 HydrophobicContact CD2-CG 4.4Å; Y19-Y24 AromaticContact CE2-CD2 3.88Å; Y19-Y24 HydrophobicContact CE2-CD2 3.88Å; Y19-Y24 HydrophobicContact CE2-CG 4.45Å; Y19-Y24 HydrophobicContact CG-CD2 4.1Å; Y19-Y24 HydrophobicContact CG-CE2 4.2Å; Y19-S90 VanDerWaalsContact OH-CB 3.3Å; Y19-S90 WeakPolarHBondContact OH-CB 3.28Å; Y19-S90 PolarHBondContact OH-OG 3.32Å |
| 20 | T | 91.9 | Very high | 94.6 | Very high | 80 Ų | 80 | 54.9 Ų | 54.9 | 49% | 0.491 | 30% | 0.303 | S | S | . | . | trans | -68.2 | 108.7 | 172.7 | -53.9 | 0 | 0 | 0 | 0 | 109.6 | T22 D23 | T20-T22 WeakPolarHBondContact CG2-OG1 3.3Å; T20-T22 PolarHBondContact O-N 2.9Å; T20-T22 VanDerWaalsContact O-N 3.1Å; T20-D23 WeakPolarHBondContact CB-OD2 3.36Å; T20-D23 WeakPolarHBondContact CG2-OD1 3.33Å; T20-D23 WeakPolarHBondContact O-CB 3.39Å; T20-D23 PolarHBondContact O-N 2.9Å | ||
| 21 | F | 92.8 | Very high | 94.6 | Very high | 7 Ų | 7 | 57.8 Ų | 57.8 | 3% | 0.031 | 32% | 0.316 | C | S | . | . | G | 310 helix | trans | -55.6 | -33.1 | -172.3 | 175.6 | -128.4 | 0 | 0 | 0 | 114.3 | A16 Y19 D23 M26 P45 V64 S69 A71 | A16-F21 HydrophobicContact CB-CB 4.03Å; A16-F21 HydrophobicContact CB-CD2 3.32Å; A16-F21 HydrophobicContact CB-CE2 4.04Å; A16-F21 HydrophobicContact CB-CG 3.96Å; Y19-F21 PolarHBondContact O-N 3.34Å; Y19-F21 VanDerWaalsContact O-N 3.15Å; F21-D23 VanDerWaalsContact C-N 3.27Å; F21-D23 PolarHBondContact O-N 2.99Å; F21-M26 HydrophobicContact CD2-CE 4.47Å; F21-M26 HydrophobicContact CE2-CE 3.86Å; F21-P45 HydrophobicContact CD1-CB 3.94Å; F21-P45 HydrophobicContact CD2-CB 4.28Å; F21-P45 HydrophobicContact CD2-CG 4.17Å; F21-P45 HydrophobicContact CE1-CB 3.71Å; F21-P45 HydrophobicContact CE1-CG 4.32Å; F21-P45 HydrophobicContact CE2-CB 4.04Å; F21-P45 HydrophobicContact CE2-CG 3.76Å; F21-P45 HydrophobicContact CG-CB 4.26Å; F21-P45 HydrophobicContact CZ-CB 3.75Å; F21-P45 HydrophobicContact CZ-CG 3.85Å; F21-V64 HydrophobicContact CD1-CG2 4.49Å; F21-V64 HydrophobicContact CE1-CG2 3.3Å; F21-V64 HydrophobicContact CZ-CG2 3.55Å; F21-S69 VanDerWaalsContact CD1-CA 3.42Å; F21-A71 HydrophobicContact CE2-CB 4.39Å; F21-A71 HydrophobicContact CZ-CB 4.04Å |
| 22 | T | 94.7 | Very high | 94.5 | Very high | 44 Ų | 44 | 52.6 Ų | 52.6 | 27% | 0.27 | 30% | 0.295 | S | S | . | . | G | 310 helix | trans | -73 | -14.9 | -179.7 | 50.4 | 0 | 0 | 0 | 0 | 114.6 | T20 Y24 | T20-T22 WeakPolarHBondContact CG2-OG1 3.3Å; T20-T22 PolarHBondContact O-N 2.9Å; T20-T22 VanDerWaalsContact O-N 3.1Å; T22-Y24 VanDerWaalsContact C-N 3.34Å |
| 23 | D | 93.3 | Very high | 94.3 | Very high | 106 Ų | 106 | 61.1 Ų | 61.1 | 57% | 0.567 | 33% | 0.334 | S | S | * | . | G | 310 helix | trans | -84.9 | -13.9 | -173.6 | -63.5 | -1.8 | 0 | 0 | 0 | 112.4 | T20 F21 | T20-D23 WeakPolarHBondContact CB-OD2 3.36Å; T20-D23 WeakPolarHBondContact CG2-OD1 3.33Å; T20-D23 WeakPolarHBondContact O-CB 3.39Å; T20-D23 PolarHBondContact O-N 2.9Å; F21-D23 VanDerWaalsContact C-N 3.27Å; F21-D23 PolarHBondContact O-N 2.99Å |
| 24 | Y | 93.1 | Very high | 93.9 | Very high | 99 Ų | 99 | 61.5 Ų | 61.5 | 39% | 0.388 | 35% | 0.349 | S | S | . | . | S | Bend | trans | -127.7 | 137.8 | -174.8 | -62.9 | -81 | 0 | 0 | 0 | 112.1 | Y19 T22 P45 | Y19-Y24 AromaticContact CD2-CD2 3.44Å; Y19-Y24 HydrophobicContact CD2-CD2 3.44Å; Y19-Y24 VanDerWaalsContact CD2-CD2 3.44Å; Y19-Y24 AromaticContact CD2-CE2 3.96Å; Y19-Y24 HydrophobicContact CD2-CE2 3.96Å; Y19-Y24 HydrophobicContact CD2-CG 4.4Å; Y19-Y24 AromaticContact CE2-CD2 3.88Å; Y19-Y24 HydrophobicContact CE2-CD2 3.88Å; Y19-Y24 HydrophobicContact CE2-CG 4.45Å; Y19-Y24 HydrophobicContact CG-CD2 4.1Å; Y19-Y24 HydrophobicContact CG-CE2 4.2Å; T22-Y24 VanDerWaalsContact C-N 3.34Å; Y24-P45 WeakPolarHBondContact O-CD 3.42Å; Y24-P45 VanDerWaalsContact O-CG 3.24Å; Y24-P45 WeakPolarHBondContact O-CG 3.48Å |
| 25 | Y | 96.4 | Very high | 93.6 | Very high | 129 Ų | 129 | 67.3 Ų | 67.3 | 51% | 0.506 | 37% | 0.373 | S | S | . | . | trans | -63.2 | 140.6 | 168.1 | -67.8 | -82.1 | 0 | 0 | 0 | 111.4 | V42 N44 | Y25-V42 HydrophobicContact CD1-CG2 4.01Å; Y25-V42 HydrophobicContact CG-CG2 4.15Å; Y25-N44 HydrophobicContact CD1-CB 3.74Å; Y25-N44 HydrophobicContact CE1-CB 3.49Å; Y25-N44 VanDerWaalsContact CE1-CB 3.49Å; Y25-N44 WeakPolarHBondContact CE1-ND2 3.46Å; Y25-N44 PolarHBondContact OH-ND2 2.87Å | ||
| 26 | M | 97.6 | Very high | 93.5 | Very high | 3 Ų | 3 | 64.6 Ų | 64.6 | 2% | 0.015 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 114.4 | 172.3 | -171.6 | 65.6 | 69.6 | 0 | 0 | 110 | C14 F21 V42 I43 P45 A71 C88 | C14-M26 VanDerWaalsContact SG-SD 3.69Å; F21-M26 HydrophobicContact CD2-CE 4.47Å; F21-M26 HydrophobicContact CE2-CE 3.86Å; M26-V42 VanDerWaalsContact O-CA 3.32Å; M26-V42 WeakPolarHBondContact O-CA 3.23Å; M26-V42 WeakPolarHBondContact O-CG2 3.4Å; M26-I43 HydrophobicContact CB-CG2 3.93Å; M26-I43 PolarHBondContact N-O 2.7Å; M26-I43 PolarHBondContact O-N 3.17Å; M26-P45 HydrophobicContact CB-CG 4.5Å; M26-A71 HydrophobicContact CB-CB 4.06Å; M26-A71 HydrophobicContact CG-CB 3.66Å; M26-C88 HydrophobicContact CG-CB 4.45Å; M26-C88 HydrophobicContact SD-CB 3.83Å |
| 27 | N | 98 | Very high | 93.7 | Very high | 16 Ų | 16 | 68 Ų | 68 | 9% | 0.086 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 147.9 | 178.1 | -66.3 | -87.4 | 0 | 0 | 0 | 110.4 | W39 G41 V42 C88 A89 F93 | N27-W39 PolarHBondContact OD1-NE1 2.99Å; N27-G41 WeakPolarHBondContact CA-O 3.11Å; N27-V42 WeakPolarHBondContact OD1-CG2 3.23Å; N27-C88 CarbonylContact O-C 3.59Å; N27-C88 WeakPolarHBondContact O-CA 3.44Å; N27-A89 HydrophobicContact CB-CB 4.45Å; N27-A89 WeakPolarHBondContact CB-O 3.36Å; N27-A89 PolarHBondContact N-O 3.46Å; N27-A89 PolarHBondContact O-N 3.07Å; N27-F93 HydrophobicContact CB-CE1 3.81Å; N27-F93 HydrophobicContact CB-CZ 4.14Å |
| 28 | W | 98.4 | Very high | 94 | Very high | 5 Ų | 5 | 65.2 Ų | 65.2 | 2% | 0.019 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 137 | 172.7 | -68.3 | 91.2 | 0 | 0 | 0 | 110.3 | M12 C14 I40 G41 L62 A71 M73 Y87 C88 | M12-W28 HydrophobicContact CB-CZ3 4.48Å; M12-W28 HydrophobicContact CG-CE3 4.36Å; M12-W28 HydrophobicContact CG-CH2 3.83Å; M12-W28 HydrophobicContact CG-CZ3 3.55Å; M12-W28 HydrophobicContact SD-CE3 4Å; M12-W28 HydrophobicContact SD-CH2 4.41Å; M12-W28 HydrophobicContact SD-CZ3 3.54Å; M12-W28 VanDerWaalsContact SD-CZ3 3.54Å; C14-W28 HydrophobicContact CB-CH2 3.74Å; C14-W28 HydrophobicContact CB-CZ2 3.95Å; W28-I40 HydrophobicContact CB-CB 4.15Å; W28-I40 HydrophobicContact CB-CD1 4.31Å; W28-I40 WeakPolarHBondContact O-CB 3.37Å; W28-I40 PolarHBondContact O-N 3.44Å; W28-G41 PolarHBondContact N-O 2.82Å; W28-L62 VanDerWaalsContact CD1-CD2 3.47Å; W28-L62 HydrophobicContact CG-CD2 4.02Å; W28-A71 HydrophobicContact CZ2-CB 4.35Å; W28-M73 HydrophobicContact CB-SD 3.85Å; W28-M73 HydrophobicContact CD2-CB 3.59Å; W28-M73 HydrophobicContact CD2-CE 4.47Å; W28-M73 HydrophobicContact CD2-CG 4.42Å; W28-M73 HydrophobicContact CD2-SD 4.12Å; W28-M73 HydrophobicContact CE3-CB 3.82Å; W28-M73 HydrophobicContact CE3-CE 3.96Å; W28-M73 HydrophobicContact CE3-SD 4.21Å; W28-M73 HydrophobicContact CG-CB 4.11Å; W28-M73 HydrophobicContact CG-SD 4Å; W28-M73 HydrophobicContact CH2-CB 4.05Å; W28-M73 HydrophobicContact CZ2-CB 3.84Å; W28-M73 HydrophobicContact CZ3-CB 4.05Å; W28-Y87 CarbonylContact C-O 3.5Å; W28-Y87 WeakPolarHBondContact CA-O 3.24Å; W28-C88 HydrophobicContact CD2-CB 4.35Å; W28-C88 HydrophobicContact CE3-CB 4.1Å; W28-C88 HydrophobicContact CH2-CB 4.22Å; W28-C88 HydrophobicContact CZ2-CB 4.44Å; W28-C88 HydrophobicContact CZ3-CB 4.04Å |
| 29 | V | 98.3 | Very high | 94.6 | Very high | 5 Ų | 5 | 64.8 Ų | 64.8 | 3% | 0.03 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 136.4 | -171.1 | -175.3 | 0 | 0 | 0 | 0 | 109.8 | L37 E38 Y86 Y87 F93 W96 | V29-L37 HydrophobicContact CG1-CB 3.75Å; V29-L37 HydrophobicContact CG1-CD2 3.95Å; V29-L37 HydrophobicContact CG1-CG 4.29Å; V29-E38 CarbonylContact C-O 3.59Å; V29-E38 WeakPolarHBondContact CA-O 3.19Å; V29-Y86 CarbonylContact O-C 3.42Å; V29-Y86 WeakPolarHBondContact O-CA 3.5Å; V29-Y87 PolarHBondContact N-O 2.81Å; V29-Y87 PolarHBondContact O-N 2.79Å; V29-F93 HydrophobicContact CG2-CE1 4.19Å; V29-W96 HydrophobicContact CB-CH2 4.32Å; V29-W96 HydrophobicContact CB-CZ3 4.02Å; V29-W96 HydrophobicContact CG1-CH2 4.27Å; V29-W96 HydrophobicContact CG1-CZ3 4.23Å; V29-W96 HydrophobicContact CG2-CH2 3.92Å; V29-W96 HydrophobicContact CG2-CZ3 3.97Å |
| 30 | K | 97.6 | Very high | 95.1 | Very high | 13 Ų | 13 | 62.1 Ų | 62.1 | 6% | 0.057 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 135.4 | 174.5 | -175.5 | 179.9 | -179.7 | -177.8 | 0 | 109.7 | S32 E38 I40 F56 E81 D82 A84 Y86 | K30-S32 WeakPolarHBondContact CE-OG 3.13Å; K30-E38 HydrophobicContact CB-CB 4.47Å; K30-E38 PolarHBondContact N-O 2.8Å; K30-E38 PolarHBondContact O-N 2.8Å; K30-I40 HydrophobicContact CB-CD1 3.99Å; K30-I40 HydrophobicContact CB-CG1 4.13Å; K30-F56 HydrophobicContact CB-CZ 4.28Å; K30-F56 HydrophobicContact CD-CE1 3.97Å; K30-F56 HydrophobicContact CD-CZ 3.95Å; K30-E81 PolarHBondContact NZ-O 3.45Å; K30-D82 IonicContact NZ-OD1 3.79Å; K30-A84 HydrophobicContact CD-CB 4.14Å; K30-A84 VanDerWaalsContact CE-CB 3.5Å; K30-A84 HydrophobicContact CG-CB 3.55Å; K30-Y86 HydrophobicContact CB-CD1 4.15Å; K30-Y86 HydrophobicContact CB-CE1 3.93Å; K30-Y86 HydrophobicContact CD-CE1 3.95Å; K30-Y86 HydrophobicContact CG-CD1 4.24Å; K30-Y86 HydrophobicContact CG-CE1 3.72Å |
| 31 | Q | 97.4 | Very high | 95.4 | Very high | 75 Ų | 75 | 58.3 Ų | 58.3 | 35% | 0.35 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 103.4 | 167.4 | -166.8 | 178.5 | 23.9 | 0 | 0 | 109.8 | L37 A84 V85 Y87 | Q31-L37 HydrophobicContact CB-CD2 3.68Å; Q31-L37 HydrophobicContact CG-CD2 3.84Å; Q31-A84 WeakPolarHBondContact O-CA 3.16Å; Q31-A84 VanDerWaalsContact O-CB 3.25Å; Q31-A84 WeakPolarHBondContact O-CB 3.45Å; Q31-V85 PolarHBondContact N-O 3.39Å; Q31-V85 PolarHBondContact O-N 2.81Å; Q31-Y87 HydrophobicContact CB-CD2 4.37Å; Q31-Y87 HydrophobicContact CB-CE2 3.77Å; Q31-Y87 PolarHBondContact OE1-OH 2.81Å |
| 32 | S | 95 | Very high | 95.7 | Very high | 13 Ų | 13 | 59 Ų | 59 | 9% | 0.091 | 31% | 0.306 | C | S | . | . | trans | -80.9 | 153.4 | 174.2 | -49.2 | 0 | 0 | 0 | 0 | 110.2 | K30 G34 K35 | K30-S32 WeakPolarHBondContact CE-OG 3.13Å; S32-G34 PolarHBondContact O-N 3.13Å; S32-K35 PolarHBondContact O-N 2.88Å | ||
| 33 | H | 91.4 | Very high | 95.9 | Very high | 190 Ų | 190 | 57 Ų | 57 | 88% | 0.88 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.9 | 125.2 | -179.8 | -174.3 | -116.3 | 0 | 0 | 0 | 111.7 | K35 | H33-K35 PolarHBondContact O-N 3.17Š|
| 34 | G | 89.9 | Confident | 96.1 | Very high | 82 Ų | 82 | 52.9 Ų | 52.9 | 85% | 0.845 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.4 | 10.1 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | S32 | S32-G34 PolarHBondContact O-N 3.13Š|
| 35 | K | 90.9 | Very high | 96.2 | Very high | 137 Ų | 137 | 48.2 Ų | 48.2 | 60% | 0.596 | 25% | 0.253 | S | S | * | . | S | Bend | trans | -114 | 160.9 | 179.2 | -60.6 | -169.8 | -178 | 174.8 | 0 | 112 | S32 H33 | S32-K35 PolarHBondContact O-N 2.88Å; H33-K35 PolarHBondContact O-N 3.17Å |
| 36 | S | 92.2 | Very high | 96.2 | Very high | 94 Ų | 94 | 49.6 Ų | 49.6 | 66% | 0.657 | 26% | 0.259 | S | S | * | . | trans | -65.3 | 165 | 170.8 | 59.6 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 37 | L | 96.1 | Very high | 96.2 | Very high | 83 Ų | 83 | 54.4 Ų | 54.4 | 44% | 0.435 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.5 | 132.6 | 170.9 | -65.1 | 177.2 | 0 | 0 | 0 | 110.7 | V29 Q31 W96 | V29-L37 HydrophobicContact CG1-CB 3.75Å; V29-L37 HydrophobicContact CG1-CD2 3.95Å; V29-L37 HydrophobicContact CG1-CG 4.29Å; Q31-L37 HydrophobicContact CB-CD2 3.68Å; Q31-L37 HydrophobicContact CG-CD2 3.84Å; L37-W96 HydrophobicContact CD1-CH2 3.87Å; L37-W96 HydrophobicContact CD1-CZ3 4.36Å |
| 38 | E | 96.9 | Very high | 96.1 | Very high | 41 Ų | 41 | 55.1 Ų | 55.1 | 19% | 0.192 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 117.7 | 175.7 | -68.5 | -173 | -91.9 | 0 | 0 | 109.5 | V29 K30 I40 K55 F56 | V29-E38 CarbonylContact C-O 3.59Å; V29-E38 WeakPolarHBondContact CA-O 3.19Å; K30-E38 HydrophobicContact CB-CB 4.47Å; K30-E38 PolarHBondContact N-O 2.8Å; K30-E38 PolarHBondContact O-N 2.8Å; E38-I40 PolarHBondContact O-N 2.82Å; E38-K55 IonicContact OE2-NZ 2.81Å; E38-K55 PolarHBondContact OE2-NZ 2.87Å; E38-F56 HydrophobicContact CB-CE2 4.49Å |
| 39 | W | 97.7 | Very high | 96.1 | Very high | 83 Ų | 83 | 56.7 Ų | 56.7 | 31% | 0.314 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 127.1 | 175.3 | -178.4 | 82.6 | 0 | 0 | 0 | 110.6 | N27 G41 V42 N53 | N27-W39 PolarHBondContact OD1-NE1 2.99Å; W39-G41 VanDerWaalsContact CZ2-C 3.44Å; W39-G41 VanDerWaalsContact CZ2-CA 3.49Å; W39-G41 PolarHBondContact NE1-O 2.82Å; W39-V42 HydrophobicContact CH2-CG1 4.34Å; W39-V42 HydrophobicContact CZ2-CB 3.76Å; W39-V42 HydrophobicContact CZ2-CG1 3.69Å; W39-N53 HydrophobicContact CE3-CB 3.83Å; W39-N53 HydrophobicContact CZ3-CB 4.03Å; W39-N53 WeakPolarHBondContact O-CB 2.99Å; W39-N53 PolarHBondContact O-ND2 2.94Å |
| 40 | I | 98.1 | Very high | 96.1 | Very high | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | -49.6 | -177.6 | -60.5 | 174.4 | 0 | 0 | 0 | 109.9 | W28 K30 E38 N53 F56 A60 M73 Y86 | W28-I40 HydrophobicContact CB-CB 4.15Å; W28-I40 HydrophobicContact CB-CD1 4.31Å; W28-I40 WeakPolarHBondContact O-CB 3.37Å; W28-I40 PolarHBondContact O-N 3.44Å; K30-I40 HydrophobicContact CB-CD1 3.99Å; K30-I40 HydrophobicContact CB-CG1 4.13Å; E38-I40 PolarHBondContact O-N 2.82Å; I40-N53 PolarHBondContact O-N 3.35Å; I40-F56 HydrophobicContact CB-CD1 4.49Å; I40-F56 HydrophobicContact CB-CD2 4.23Å; I40-F56 HydrophobicContact CB-CG 4.18Å; I40-F56 HydrophobicContact CG1-CD1 4.14Å; I40-F56 HydrophobicContact CG1-CD2 4.21Å; I40-F56 HydrophobicContact CG1-CE1 4.03Å; I40-F56 HydrophobicContact CG1-CE2 4.08Å; I40-F56 HydrophobicContact CG1-CG 4.22Å; I40-F56 HydrophobicContact CG1-CZ 3.99Å; I40-F56 HydrophobicContact CG2-CB 3.7Å; I40-F56 HydrophobicContact CG2-CD1 3.98Å; I40-F56 HydrophobicContact CG2-CD2 4.26Å; I40-F56 HydrophobicContact CG2-CG 3.72Å; I40-A60 HydrophobicContact CG2-CB 3.79Å; I40-M73 HydrophobicContact CD1-CE 3.83Å; I40-M73 HydrophobicContact CD1-SD 3.7Å; I40-M73 HydrophobicContact CG2-SD 3.89Å; I40-Y86 HydrophobicContact CD1-CD1 3.68Å; I40-Y86 HydrophobicContact CD1-CE1 3.87Å |
| 41 | G | 98.1 | Very high | 96.1 | Very high | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 171.4 | 177.8 | -173 | 0 | 0 | 0 | 0 | 0 | 112.1 | N27 W28 W39 S51 | N27-G41 WeakPolarHBondContact CA-O 3.11Å; W28-G41 PolarHBondContact N-O 2.82Å; W39-G41 VanDerWaalsContact CZ2-C 3.44Å; W39-G41 VanDerWaalsContact CZ2-CA 3.49Å; W39-G41 PolarHBondContact NE1-O 2.82Å; G41-S51 CarbonylContact C-O 3.6Å; G41-S51 WeakPolarHBondContact CA-O 3Å |
| 42 | V | 98.2 | Very high | 96.1 | Very high | 21 Ų | 21 | 61.3 Ų | 61.3 | 13% | 0.127 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 145 | -178.9 | 66.7 | 0 | 0 | 0 | 0 | 109.8 | Y25 M26 N27 W39 T50 S51 | Y25-V42 HydrophobicContact CD1-CG2 4.01Å; Y25-V42 HydrophobicContact CG-CG2 4.15Å; M26-V42 VanDerWaalsContact O-CA 3.32Å; M26-V42 WeakPolarHBondContact O-CA 3.23Å; M26-V42 WeakPolarHBondContact O-CG2 3.4Å; N27-V42 WeakPolarHBondContact OD1-CG2 3.23Å; W39-V42 HydrophobicContact CH2-CG1 4.34Å; W39-V42 HydrophobicContact CZ2-CB 3.76Å; W39-V42 HydrophobicContact CZ2-CG1 3.69Å; V42-T50 CarbonylContact O-C 3.58Å; V42-T50 VanDerWaalsContact O-CA 3.28Å; V42-T50 WeakPolarHBondContact O-CA 3.2Å; V42-S51 PolarHBondContact N-O 3.1Å; V42-S51 PolarHBondContact O-N 3.21Å |
| 43 | I | 98.3 | Very high | 96.2 | Very high | 2 Ų | 2 | 63 Ų | 63 | 1% | 0.01 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 136.7 | 169.3 | -174.8 | 164.7 | 0 | 0 | 0 | 109.6 | M26 P45 G49 T50 L62 T63 V64 A71 | M26-I43 HydrophobicContact CB-CG2 3.93Å; M26-I43 PolarHBondContact N-O 2.7Å; M26-I43 PolarHBondContact O-N 3.17Å; I43-P45 VanDerWaalsContact O-CD 3.29Å; I43-P45 WeakPolarHBondContact O-CD 3.37Å; I43-G49 CarbonylContact C-O 3.59Å; I43-G49 WeakPolarHBondContact CA-O 3.34Å; I43-T50 HydrophobicContact CB-CG2 4.15Å; I43-T50 HydrophobicContact CD1-CG2 4.02Å; I43-T50 HydrophobicContact CG1-CG2 3.93Å; I43-L62 HydrophobicContact CB-CB 4.07Å; I43-L62 HydrophobicContact CB-CD1 4.29Å; I43-L62 HydrophobicContact CD1-CB 4.21Å; I43-L62 HydrophobicContact CG2-CB 4.46Å; I43-T63 VanDerWaalsContact CD1-C 3.49Å; I43-V64 HydrophobicContact CD1-CB 3.93Å; I43-V64 HydrophobicContact CD1-CG1 4.08Å; I43-A71 HydrophobicContact CG2-CB 4.36Å |
| 44 | N | 97.4 | Very high | 96.5 | Very high | 20 Ų | 20 | 61 Ų | 61 | 11% | 0.107 | 34% | 0.344 | C | S | . | . | trans | -84.9 | 110.7 | 169.4 | -172.3 | -25.1 | 0 | 0 | 0 | 109.3 | Y25 Y46 N47 G48 G49 | Y25-N44 HydrophobicContact CD1-CB 3.74Å; Y25-N44 HydrophobicContact CE1-CB 3.49Å; Y25-N44 VanDerWaalsContact CE1-CB 3.49Å; Y25-N44 WeakPolarHBondContact CE1-ND2 3.46Å; Y25-N44 PolarHBondContact OH-ND2 2.87Å; N44-Y46 PolarHBondContact O-N 3.1Å; N44-Y46 VanDerWaalsContact OD1-CB 3.24Å; N44-Y46 WeakPolarHBondContact OD1-CB 3Å; N44-Y46 PolarHBondContact OD1-N 3.11Å; N44-N47 WeakPolarHBondContact CB-OD1 3.2Å; N44-N47 PolarHBondContact ND2-OD1 2.96Å; N44-G48 VanDerWaalsContact O-CA 3.23Å; N44-G48 WeakPolarHBondContact O-CA 3.38Å; N44-G48 PolarHBondContact O-N 2.81Å; N44-G49 PolarHBondContact N-O 3.41Å | ||
| 45 | P | 96.7 | Very high | 96.6 | Very high | 0 Ų | 0 | 64.1 Ų | 64.1 | 0% | 0 | 33% | 0.334 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -19.4 | -179.8 | -22.3 | 37 | 0 | 0 | 0 | 113.9 | F21 Y24 M26 I43 V64 K66 | F21-P45 HydrophobicContact CD1-CB 3.94Å; F21-P45 HydrophobicContact CD2-CB 4.28Å; F21-P45 HydrophobicContact CD2-CG 4.17Å; F21-P45 HydrophobicContact CE1-CB 3.71Å; F21-P45 HydrophobicContact CE1-CG 4.32Å; F21-P45 HydrophobicContact CE2-CB 4.04Å; F21-P45 HydrophobicContact CE2-CG 3.76Å; F21-P45 HydrophobicContact CG-CB 4.26Å; F21-P45 HydrophobicContact CZ-CB 3.75Å; F21-P45 HydrophobicContact CZ-CG 3.85Å; Y24-P45 WeakPolarHBondContact O-CD 3.42Å; Y24-P45 VanDerWaalsContact O-CG 3.24Å; Y24-P45 WeakPolarHBondContact O-CG 3.48Å; M26-P45 HydrophobicContact CB-CG 4.5Å; I43-P45 VanDerWaalsContact O-CD 3.29Å; I43-P45 WeakPolarHBondContact O-CD 3.37Å; P45-V64 HydrophobicContact CB-CG2 4.02Å; P45-K66 WeakPolarHBondContact O-CE 3.31Å |
| 46 | Y | 96.3 | Very high | 96.9 | Very high | 158 Ų | 158 | 58.2 Ų | 58.2 | 62% | 0.62 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.9 | -48 | 178.2 | 179.8 | -106.5 | 0 | 0 | 0 | 112.9 | N44 K66 | N44-Y46 PolarHBondContact O-N 3.1Å; N44-Y46 VanDerWaalsContact OD1-CB 3.24Å; N44-Y46 WeakPolarHBondContact OD1-CB 3Å; N44-Y46 PolarHBondContact OD1-N 3.11Å; Y46-K66 WeakPolarHBondContact O-CE 3.31Å; Y46-K66 PolarHBondContact O-NZ 3.34Å |
| 47 | N | 96.3 | Very high | 97 | Very high | 104 Ų | 104 | 60.5 Ų | 60.5 | 56% | 0.556 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -121.1 | -2 | -174.5 | 64.6 | 17.1 | 0 | 0 | 0 | 114.4 | N44 G49 | N44-N47 WeakPolarHBondContact CB-OD1 3.2Å; N44-N47 PolarHBondContact ND2-OD1 2.96Å; N47-G49 PolarHBondContact O-N 3.13Å; N47-G49 PolarHBondContact OD1-N 2.89Å |
| 48 | G | 96.5 | Very high | 96.9 | Very high | 31 Ų | 31 | 59.9 Ų | 59.9 | 32% | 0.32 | 32% | 0.32 | S | S | . | . | trans | 76.9 | 4.6 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | N44 T50 | N44-G48 VanDerWaalsContact O-CA 3.23Å; N44-G48 WeakPolarHBondContact O-CA 3.38Å; N44-G48 PolarHBondContact O-N 2.81Å; G48-T50 PolarHBondContact O-N 3.46Å | ||
| 49 | G | 97.9 | Very high | 96.8 | Very high | 39 Ų | 39 | 59.9 Ų | 59.9 | 40% | 0.402 | 32% | 0.32 | S | S | . | . | trans | -62 | 133.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | I43 N44 N47 | I43-G49 CarbonylContact C-O 3.59Å; I43-G49 WeakPolarHBondContact CA-O 3.34Å; N44-G49 PolarHBondContact N-O 3.41Å; N47-G49 PolarHBondContact O-N 3.13Å; N47-G49 PolarHBondContact OD1-N 2.89Å | ||
| 50 | T | 98.3 | Very high | 96.8 | Very high | 57 Ų | 57 | 56.1 Ų | 56.1 | 35% | 0.35 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 148 | -177.7 | 58 | 0 | 0 | 0 | 0 | 112 | V42 I43 G48 Y52 L62 | V42-T50 CarbonylContact O-C 3.58Å; V42-T50 VanDerWaalsContact O-CA 3.28Å; V42-T50 WeakPolarHBondContact O-CA 3.2Å; I43-T50 HydrophobicContact CB-CG2 4.15Å; I43-T50 HydrophobicContact CD1-CG2 4.02Å; I43-T50 HydrophobicContact CG1-CG2 3.93Å; G48-T50 PolarHBondContact O-N 3.46Å; T50-Y52 HydrophobicContact CG2-CE2 4.5Å; T50-Y52 WeakPolarHBondContact OG1-CE2 3.49Å; T50-L62 HydrophobicContact CG2-CB 3.98Å |
| 51 | S | 98 | Very high | 96.8 | Very high | 70 Ų | 70 | 58.8 Ų | 58.8 | 49% | 0.49 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 146.1 | 166.5 | -69.8 | 0 | 0 | 0 | 0 | 109.6 | G41 V42 | G41-S51 CarbonylContact C-O 3.6Å; G41-S51 WeakPolarHBondContact CA-O 3Å; V42-S51 PolarHBondContact N-O 3.1Å; V42-S51 PolarHBondContact O-N 3.21Å |
| 52 | Y | 98.3 | Very high | 96.8 | Very high | 63 Ų | 63 | 59.2 Ų | 59.2 | 25% | 0.247 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 149.1 | -172.3 | -63.4 | -91.3 | 0 | 0 | 0 | 110.9 | T50 A60 L62 | T50-Y52 HydrophobicContact CG2-CE2 4.5Å; T50-Y52 WeakPolarHBondContact OG1-CE2 3.49Å; Y52-A60 HydrophobicContact CE1-CB 4.35Å; Y52-A60 VanDerWaalsContact CE1-O 3.25Å; Y52-A60 WeakPolarHBondContact CE1-O 3.43Å; Y52-L62 HydrophobicContact CE1-CD1 4.03Å; Y52-L62 HydrophobicContact CE1-CG 3.69Å; Y52-L62 PolarHBondContact OH-N 2.89Å |
| 53 | N | 97.4 | Very high | 96.8 | Very high | 47 Ų | 47 | 61.1 Ų | 61.1 | 25% | 0.251 | 34% | 0.336 | S | S | . | . | trans | -68.5 | 138.5 | 157.5 | -178.6 | -27.7 | 0 | 0 | 0 | 109.1 | W39 I40 K55 F56 K57 | W39-N53 HydrophobicContact CE3-CB 3.83Å; W39-N53 HydrophobicContact CZ3-CB 4.03Å; W39-N53 WeakPolarHBondContact O-CB 2.99Å; W39-N53 PolarHBondContact O-ND2 2.94Å; I40-N53 PolarHBondContact O-N 3.35Å; N53-K55 PolarHBondContact O-N 3.25Å; N53-K55 VanDerWaalsContact O-N 3.14Å; N53-K55 PolarHBondContact OD1-N 2.85Å; N53-K55 VanDerWaalsContact OD1-N 3.11Å; N53-F56 HydrophobicContact CB-CD2 4.05Å; N53-F56 PolarHBondContact O-N 2.89Å; N53-K57 PolarHBondContact O-N 3.37Å; N53-K57 VanDerWaalsContact O-N 3.17Å | ||
| 54 | Q | 96.1 | Very high | 96.8 | Very high | 149 Ų | 149 | 63 Ų | 63 | 70% | 0.696 | 35% | 0.348 | S | S | * | . | G | 310 helix | trans | -53.2 | -36.6 | -178.4 | -68.4 | -67.4 | -9.2 | 0 | 0 | 112.9 | F56 K57 | Q54-F56 PolarHBondContact O-N 3.37Å; Q54-K57 PolarHBondContact O-N 2.85Å |
| 55 | K | 93.9 | Very high | 96.8 | Very high | 148 Ų | 148 | 64.6 Ų | 64.6 | 64% | 0.643 | 36% | 0.357 | S | S | * | . | G | 310 helix | trans | -60.1 | -29.2 | 177.9 | -66.4 | -173 | -174.7 | -178.1 | 0 | 113.9 | E38 N53 | E38-K55 IonicContact OE2-NZ 2.81Å; E38-K55 PolarHBondContact OE2-NZ 2.87Å; N53-K55 PolarHBondContact O-N 3.25Å; N53-K55 VanDerWaalsContact O-N 3.14Å; N53-K55 PolarHBondContact OD1-N 2.85Å; N53-K55 VanDerWaalsContact OD1-N 3.11Å |
| 56 | F | 95.8 | Very high | 96.7 | Very high | 12 Ų | 12 | 70 Ų | 70 | 5% | 0.053 | 38% | 0.38 | C | S | . | . | G | 310 helix | trans | -107.6 | -3 | -174.1 | -62.9 | -83.8 | 0 | 0 | 0 | 112.8 | K30 E38 I40 N53 Q54 G58 K59 A60 | K30-F56 HydrophobicContact CB-CZ 4.28Å; K30-F56 HydrophobicContact CD-CE1 3.97Å; K30-F56 HydrophobicContact CD-CZ 3.95Å; E38-F56 HydrophobicContact CB-CE2 4.49Å; I40-F56 HydrophobicContact CB-CD1 4.49Å; I40-F56 HydrophobicContact CB-CD2 4.23Å; I40-F56 HydrophobicContact CB-CG 4.18Å; I40-F56 HydrophobicContact CG1-CD1 4.14Å; I40-F56 HydrophobicContact CG1-CD2 4.21Å; I40-F56 HydrophobicContact CG1-CE1 4.03Å; I40-F56 HydrophobicContact CG1-CE2 4.08Å; I40-F56 HydrophobicContact CG1-CG 4.22Å; I40-F56 HydrophobicContact CG1-CZ 3.99Å; I40-F56 HydrophobicContact CG2-CB 3.7Å; I40-F56 HydrophobicContact CG2-CD1 3.98Å; I40-F56 HydrophobicContact CG2-CD2 4.26Å; I40-F56 HydrophobicContact CG2-CG 3.72Å; N53-F56 HydrophobicContact CB-CD2 4.05Å; N53-F56 PolarHBondContact O-N 2.89Å; Q54-F56 PolarHBondContact O-N 3.37Å; F56-G58 PolarHBondContact O-N 3.5Å; F56-K59 WeakPolarHBondContact O-CB 3.41Å; F56-K59 PolarHBondContact O-N 3.37Å; F56-A60 HydrophobicContact CB-CB 4.39Å; F56-A60 PolarHBondContact O-N 2.7Å |
| 57 | K | 94.7 | Very high | 96.6 | Very high | 142 Ų | 142 | 67.8 Ų | 67.8 | 62% | 0.617 | 39% | 0.388 | S | S | * | . | B | Isolated β-bridge | trans | -63 | 124 | 176.3 | -167 | 175.2 | -178.1 | -178.6 | 0 | 109.2 | N53 Q54 K59 | N53-K57 PolarHBondContact O-N 3.37Å; N53-K57 VanDerWaalsContact O-N 3.17Å; Q54-K57 PolarHBondContact O-N 2.85Å; K57-K59 PolarHBondContact O-N 2.87Å |
| 58 | G | 93.3 | Very high | 96.6 | Very high | 71 Ų | 71 | 64.5 Ų | 64.5 | 73% | 0.732 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.3 | -18.1 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | F56 | F56-G58 PolarHBondContact O-N 3.5Š|
| 59 | K | 95.9 | Very high | 96.5 | Very high | 40 Ų | 40 | 65 Ų | 65 | 17% | 0.174 | 37% | 0.372 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.5 | -44.4 | 172.4 | -175.1 | 71.3 | 177.4 | -168.4 | 0 | 111.7 | F56 K57 N76 S77 D82 | F56-K59 WeakPolarHBondContact O-CB 3.41Å; F56-K59 PolarHBondContact O-N 3.37Å; K57-K59 PolarHBondContact O-N 2.87Å; K59-N76 WeakPolarHBondContact CD-O 3.19Å; K59-N76 WeakPolarHBondContact CE-O 3.46Å; K59-N76 PolarHBondContact NZ-O 2.92Å; K59-N76 PolarHBondContact O-N 2.97Å; K59-S77 PolarHBondContact NZ-O 3.44Å; K59-D82 WeakPolarHBondContact CE-OD2 3.44Å; K59-D82 IonicContact NZ-OD1 3.97Å; K59-D82 IonicContact NZ-OD2 2.7Å; K59-D82 PolarHBondContact NZ-OD2 2.88Å |
| 60 | A | 97.8 | Very high | 96.5 | Very high | 4 Ų | 4 | 63.6 Ų | 63.6 | 3% | 0.033 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 138.7 | -178.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | I40 Y52 F56 M73 E74 L75 | I40-A60 HydrophobicContact CG2-CB 3.79Å; Y52-A60 HydrophobicContact CE1-CB 4.35Å; Y52-A60 VanDerWaalsContact CE1-O 3.25Å; Y52-A60 WeakPolarHBondContact CE1-O 3.43Å; F56-A60 HydrophobicContact CB-CB 4.39Å; F56-A60 PolarHBondContact O-N 2.7Å; A60-M73 HydrophobicContact CB-CG 4.35Å; A60-M73 HydrophobicContact CB-SD 4.27Å; A60-E74 CarbonylContact C-O 3.46Å; A60-E74 VanDerWaalsContact CA-O 3.32Å; A60-E74 WeakPolarHBondContact CA-O 3.3Å; A60-L75 HydrophobicContact CB-CD2 3.98Å |
| 61 | T | 98.3 | Very high | 96.5 | Very high | 57 Ų | 57 | 60.9 Ų | 60.9 | 35% | 0.35 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 121.6 | 170 | -60.2 | 0 | 0 | 0 | 0 | 108.7 | T63 M73 E74 | T61-T63 HydrophobicContact CG2-CG2 4.27Å; T61-M73 CarbonylContact O-C 3.55Å; T61-M73 WeakPolarHBondContact O-CA 3.48Å; T61-E74 PolarHBondContact N-O 2.94Å; T61-E74 PolarHBondContact O-N 2.95Å |
| 62 | L | 98.5 | Very high | 96.5 | Very high | 9 Ų | 9 | 60.1 Ų | 60.1 | 5% | 0.047 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 132.5 | 177.3 | -51.9 | -176.6 | 0 | 0 | 0 | 110.5 | W28 I43 T50 Y52 Y72 M73 | W28-L62 VanDerWaalsContact CD1-CD2 3.47Å; W28-L62 HydrophobicContact CG-CD2 4.02Å; I43-L62 HydrophobicContact CB-CB 4.07Å; I43-L62 HydrophobicContact CB-CD1 4.29Å; I43-L62 HydrophobicContact CD1-CB 4.21Å; I43-L62 HydrophobicContact CG2-CB 4.46Å; T50-L62 HydrophobicContact CG2-CB 3.98Å; Y52-L62 HydrophobicContact CE1-CD1 4.03Å; Y52-L62 HydrophobicContact CE1-CG 3.69Å; Y52-L62 PolarHBondContact OH-N 2.89Å; L62-Y72 WeakPolarHBondContact CA-O 3.32Å; L62-M73 HydrophobicContact CD2-CB 3.7Å; L62-M73 HydrophobicContact CD2-CG 3.61Å; L62-M73 HydrophobicContact CD2-SD 4.14Å |
| 63 | T | 98.3 | Very high | 96.5 | Very high | 60 Ų | 60 | 57.1 Ų | 57.1 | 37% | 0.368 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 164.8 | 176.5 | 57.1 | 0 | 0 | 0 | 0 | 111 | I43 T61 Y72 | I43-T63 VanDerWaalsContact CD1-C 3.49Å; T61-T63 HydrophobicContact CG2-CG2 4.27Å; T63-Y72 PolarHBondContact N-O 2.84Å; T63-Y72 PolarHBondContact O-N 2.78Å; T63-Y72 WeakPolarHBondContact OG1-CB 3.4Å |
| 64 | V | 97.8 | Very high | 96.5 | Very high | 41 Ų | 41 | 58.2 Ų | 58.2 | 25% | 0.248 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 138.9 | -179.1 | 64.9 | 0 | 0 | 0 | 0 | 111 | F21 I43 P45 | F21-V64 HydrophobicContact CD1-CG2 4.49Å; F21-V64 HydrophobicContact CE1-CG2 3.3Å; F21-V64 HydrophobicContact CZ-CG2 3.55Å; I43-V64 HydrophobicContact CD1-CB 3.93Å; I43-V64 HydrophobicContact CD1-CG1 4.08Å; P45-V64 HydrophobicContact CB-CG2 4.02Å |
| 65 | D | 96.8 | Very high | 96.6 | Very high | 55 Ų | 55 | 51.1 Ų | 51.1 | 29% | 0.294 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 107.2 | 165.2 | 175.5 | 8.9 | 0 | 0 | 0 | 108.7 | S67 S68 S69 T70 Y72 | D65-S67 VanDerWaalsContact C-N 3.32Å; D65-S67 WeakPolarHBondContact OD1-CB 3.42Å; D65-S67 PolarHBondContact OD1-N 3.01Å; D65-S67 PolarHBondContact OD1-OG 3.27Å; D65-S67 PolarHBondContact OD2-OG 3.17Å; D65-S68 WeakPolarHBondContact OD2-CB 3.4Å; D65-S68 PolarHBondContact OD2-OG 3.22Å; D65-S69 PolarHBondContact O-N 3.14Å; D65-T70 PolarHBondContact N-O 2.83Å; D65-T70 PolarHBondContact O-N 2.96Å; D65-Y72 HydrophobicContact CB-CE2 3.87Å |
| 66 | K | 94.6 | Very high | 96.7 | Very high | 113 Ų | 113 | 46 Ų | 46 | 49% | 0.491 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -32.2 | -179 | -59.4 | -178.3 | -174.1 | -176.8 | 0 | 112 | P45 Y46 S68 S69 | P45-K66 WeakPolarHBondContact O-CE 3.31Å; Y46-K66 WeakPolarHBondContact O-CE 3.31Å; Y46-K66 PolarHBondContact O-NZ 3.34Å; K66-S68 VanDerWaalsContact C-N 3.31Å; K66-S68 PolarHBondContact O-N 2.95Å; K66-S69 PolarHBondContact O-N 2.02Å |
| 67 | S | 93.9 | Very high | 96.7 | Very high | 111 Ų | 111 | 49 Ų | 49 | 78% | 0.776 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | -36.6 | -175.9 | 72.2 | 0 | 0 | 0 | 0 | 111.8 | D65 | D65-S67 VanDerWaalsContact C-N 3.32Å; D65-S67 WeakPolarHBondContact OD1-CB 3.42Å; D65-S67 PolarHBondContact OD1-N 3.01Å; D65-S67 PolarHBondContact OD1-OG 3.27Å; D65-S67 PolarHBondContact OD2-OG 3.17Å |
| 68 | S | 95.7 | Very high | 96.7 | Very high | 36 Ų | 36 | 42.2 Ų | 42.2 | 25% | 0.252 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.9 | 3.2 | 177.5 | 65.9 | 0 | 0 | 0 | 0 | 113.9 | D65 K66 T70 | D65-S68 WeakPolarHBondContact OD2-CB 3.4Å; D65-S68 PolarHBondContact OD2-OG 3.22Å; K66-S68 VanDerWaalsContact C-N 3.31Å; K66-S68 PolarHBondContact O-N 2.95Å; S68-T70 PolarHBondContact O-N 2.82Å; S68-T70 PolarHBondContact O-OG1 3.14Å; S68-T70 WeakPolarHBondContact OG-CB 3.3Å; S68-T70 PolarHBondContact OG-OG1 3.44Å |
| 69 | S | 95.9 | Very high | 96.8 | Very high | 42 Ų | 42 | 41.7 Ų | 41.7 | 29% | 0.294 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50.9 | 42.4 | -173.4 | -63.2 | 0 | 0 | 0 | 0 | 113.3 | A16 F21 D65 K66 | A16-S69 PolarHBondContact N-O 2.78Å; F21-S69 VanDerWaalsContact CD1-CA 3.42Å; D65-S69 PolarHBondContact O-N 3.14Å; K66-S69 PolarHBondContact O-N 2.02Å |
| 70 | T | 97.6 | Very high | 96.6 | Very high | 9 Ų | 9 | 45 Ų | 45 | 6% | 0.055 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 128.6 | -172.2 | -56.7 | 0 | 0 | 0 | 0 | 111.3 | C14 D65 S68 Y72 | C14-T70 WeakPolarHBondContact O-CA 3.16Å; D65-T70 PolarHBondContact N-O 2.83Å; D65-T70 PolarHBondContact O-N 2.96Å; S68-T70 PolarHBondContact O-N 2.82Å; S68-T70 PolarHBondContact O-OG1 3.14Å; S68-T70 WeakPolarHBondContact OG-CB 3.3Å; S68-T70 PolarHBondContact OG-OG1 3.44Å; T70-Y72 HydrophobicContact CG2-CD1 4.41Å; T70-Y72 HydrophobicContact CG2-CD2 4.31Å; T70-Y72 HydrophobicContact CG2-CE1 3.82Å; T70-Y72 HydrophobicContact CG2-CE2 3.7Å; T70-Y72 VanDerWaalsContact CG2-CZ 3.41Å |
| 71 | A | 97.9 | Very high | 96.3 | Very high | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 150.3 | 167.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | S13 C14 F21 M26 W28 I43 | S13-A71 CarbonylContact C-O 3.54Å; S13-A71 WeakPolarHBondContact CA-O 3.46Å; C14-A71 PolarHBondContact N-O 3.29Å; C14-A71 PolarHBondContact O-N 2.76Å; F21-A71 HydrophobicContact CE2-CB 4.39Å; F21-A71 HydrophobicContact CZ-CB 4.04Å; M26-A71 HydrophobicContact CB-CB 4.06Å; M26-A71 HydrophobicContact CG-CB 3.66Å; W28-A71 HydrophobicContact CZ2-CB 4.35Å; I43-A71 HydrophobicContact CG2-CB 4.36Å |
| 72 | Y | 98.3 | Very high | 96.1 | Very high | 54 Ų | 54 | 50 Ų | 50 | 21% | 0.212 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 145.5 | 176.6 | -56.7 | -93.4 | 0 | 0 | 0 | 110.9 | K11 M12 S13 L62 T63 D65 T70 | K11-Y72 HydrophobicContact CG-CD1 4.39Å; M12-Y72 CarbonylContact O-C 3.51Å; M12-Y72 WeakPolarHBondContact O-CA 3.2Å; S13-Y72 VanDerWaalsContact CB-CE1 3.41Å; L62-Y72 WeakPolarHBondContact CA-O 3.32Å; T63-Y72 PolarHBondContact N-O 2.84Å; T63-Y72 PolarHBondContact O-N 2.78Å; T63-Y72 WeakPolarHBondContact OG1-CB 3.4Å; D65-Y72 HydrophobicContact CB-CE2 3.87Å; T70-Y72 HydrophobicContact CG2-CD1 4.41Å; T70-Y72 HydrophobicContact CG2-CD2 4.31Å; T70-Y72 HydrophobicContact CG2-CE1 3.82Å; T70-Y72 HydrophobicContact CG2-CE2 3.7Å; T70-Y72 VanDerWaalsContact CG2-CZ 3.41Å |
| 73 | M | 98.3 | Very high | 96 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 130.3 | 164.4 | 178.3 | 175.8 | 74.3 | 0 | 0 | 108.5 | K11 M12 W28 I40 A60 T61 L62 L75 Y86 | K11-M73 WeakPolarHBondContact CA-O 3.2Å; M12-M73 HydrophobicContact CE-CE 3.54Å; M12-M73 HydrophobicContact CG-CB 3.91Å; M12-M73 HydrophobicContact CG-CE 4.09Å; M12-M73 VanDerWaalsContact CG-O 3.31Å; M12-M73 WeakPolarHBondContact CG-O 3.49Å; M12-M73 PolarHBondContact N-O 3.29Å; M12-M73 PolarHBondContact O-N 2.81Å; M12-M73 HydrophobicContact SD-CB 4.5Å; M12-M73 HydrophobicContact SD-CE 3.23Å; M12-M73 WeakPolarHBondContact SD-CE 3.43Å; W28-M73 HydrophobicContact CB-SD 3.85Å; W28-M73 HydrophobicContact CD2-CB 3.59Å; W28-M73 HydrophobicContact CD2-CE 4.47Å; W28-M73 HydrophobicContact CD2-CG 4.42Å; W28-M73 HydrophobicContact CD2-SD 4.12Å; W28-M73 HydrophobicContact CE3-CB 3.82Å; W28-M73 HydrophobicContact CE3-CE 3.96Å; W28-M73 HydrophobicContact CE3-SD 4.21Å; W28-M73 HydrophobicContact CG-CB 4.11Å; W28-M73 HydrophobicContact CG-SD 4Å; W28-M73 HydrophobicContact CH2-CB 4.05Å; W28-M73 HydrophobicContact CZ2-CB 3.84Å; W28-M73 HydrophobicContact CZ3-CB 4.05Å; I40-M73 HydrophobicContact CD1-CE 3.83Å; I40-M73 HydrophobicContact CD1-SD 3.7Å; I40-M73 HydrophobicContact CG2-SD 3.89Å; A60-M73 HydrophobicContact CB-CG 4.35Å; A60-M73 HydrophobicContact CB-SD 4.27Å; T61-M73 CarbonylContact O-C 3.55Å; T61-M73 WeakPolarHBondContact O-CA 3.48Å; L62-M73 HydrophobicContact CD2-CB 3.7Å; L62-M73 HydrophobicContact CD2-CG 3.61Å; L62-M73 HydrophobicContact CD2-SD 4.14Å; M73-L75 HydrophobicContact CE-CD1 3.87Å; M73-L75 HydrophobicContact CE-CD2 4.04Å; M73-L75 HydrophobicContact CE-CG 3.86Å; M73-L75 HydrophobicContact CG-CG 4.46Å; M73-L75 HydrophobicContact SD-CD2 4.1Å; M73-L75 HydrophobicContact SD-CG 4.4Å; M73-Y86 HydrophobicContact CE-CD1 3.6Å; M73-Y86 HydrophobicContact CE-CE1 4.21Å; M73-Y86 HydrophobicContact CE-CG 4.22Å |
| 74 | E | 98.1 | Very high | 95.9 | Very high | 70 Ų | 70 | 49.3 Ų | 49.3 | 33% | 0.327 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 123.3 | 169.5 | -175.5 | 167.2 | -159.5 | 0 | 0 | 109.1 | V10 K11 A60 T61 | V10-E74 CarbonylContact O-C 3.53Å; V10-E74 VanDerWaalsContact O-CA 3.3Å; V10-E74 WeakPolarHBondContact O-CA 3.25Å; K11-E74 HydrophobicContact CB-CB 4.45Å; K11-E74 HydrophobicContact CB-CG 4.43Å; K11-E74 HydrophobicContact CG-CB 4.44Å; A60-E74 CarbonylContact C-O 3.46Å; A60-E74 VanDerWaalsContact CA-O 3.32Å; A60-E74 WeakPolarHBondContact CA-O 3.3Å; T61-E74 PolarHBondContact N-O 2.94Å; T61-E74 PolarHBondContact O-N 2.95Å |
| 75 | L | 97.3 | Very high | 95.9 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 124.9 | 173.4 | -65.8 | 167 | 0 | 0 | 0 | 108.4 | S9 V10 M12 A60 M73 L78 Y86 | S9-L75 CarbonylContact C-O 3.47Å; S9-L75 WeakPolarHBondContact CA-O 3.32Å; S9-L75 WeakPolarHBondContact CB-O 3.08Å; V10-L75 HydrophobicContact CG1-CB 4.05Å; V10-L75 HydrophobicContact CG1-CD1 4.19Å; V10-L75 PolarHBondContact N-O 3.01Å; V10-L75 PolarHBondContact O-N 2.86Å; M12-L75 HydrophobicContact CE-CD1 3.75Å; M12-L75 HydrophobicContact CE-CG 4.46Å; A60-L75 HydrophobicContact CB-CD2 3.98Å; M73-L75 HydrophobicContact CE-CD1 3.87Å; M73-L75 HydrophobicContact CE-CD2 4.04Å; M73-L75 HydrophobicContact CE-CG 3.86Å; M73-L75 HydrophobicContact CG-CG 4.46Å; M73-L75 HydrophobicContact SD-CD2 4.1Å; M73-L75 HydrophobicContact SD-CG 4.4Å; L75-L78 HydrophobicContact CB-CD2 3.99Å; L75-L78 HydrophobicContact CD1-CD2 4.31Å; L75-Y86 HydrophobicContact CD1-CD1 3.94Å; L75-Y86 HydrophobicContact CD1-CD2 4.41Å; L75-Y86 HydrophobicContact CD1-CE1 3.41Å; L75-Y86 VanDerWaalsContact CD1-CE1 3.41Å; L75-Y86 HydrophobicContact CD1-CE2 3.95Å; L75-Y86 HydrophobicContact CD1-CG 4.38Å; L75-Y86 HydrophobicContact CD2-CE1 4.39Å |
| 76 | N | 96.4 | Very high | 96 | Very high | 40 Ų | 40 | 46.5 Ų | 46.5 | 21% | 0.214 | 27% | 0.268 | C | S | . | . | trans | -97.9 | 148.9 | -176 | -64.3 | -55.1 | 0 | 0 | 0 | 112.5 | S9 K59 L78 | S9-N76 WeakPolarHBondContact OG-CA 3.37Å; S9-N76 PolarHBondContact OG-OD1 2.77Å; K59-N76 WeakPolarHBondContact CD-O 3.19Å; K59-N76 WeakPolarHBondContact CE-O 3.46Å; K59-N76 PolarHBondContact NZ-O 2.92Å; K59-N76 PolarHBondContact O-N 2.97Å; N76-L78 PolarHBondContact O-N 2.9Å | ||
| 77 | S | 95.4 | Very high | 96.2 | Very high | 74 Ų | 74 | 43.2 Ų | 43.2 | 52% | 0.517 | 25% | 0.253 | S | S | . | . | S | Bend | trans | 51.5 | 55.1 | 169.2 | -52.5 | 0 | 0 | 0 | 0 | 113.4 | A8 K59 | A8-S77 PolarHBondContact O-N 3.07Å; K59-S77 PolarHBondContact NZ-O 3.44Å |
| 78 | L | 95.6 | Very high | 96.3 | Very high | 1 Ų | 1 | 38.5 Ų | 38.5 | 1% | 0.005 | 22% | 0.22 | C | C | . | . | trans | -58.7 | 137.9 | -172.9 | -71.2 | 163.9 | 0 | 0 | 0 | 112.7 | V4 G7 A8 V10 L75 N76 D82 V102 V104 | V4-L78 HydrophobicContact CB-CD1 4.26Å; V4-L78 HydrophobicContact CG1-CD1 4.44Å; V4-L78 HydrophobicContact CG2-CB 4.43Å; V4-L78 HydrophobicContact CG2-CD1 3.32Å; V4-L78 HydrophobicContact CG2-CG 4.5Å; G7-L78 PolarHBondContact N-O 2.95Å; A8-L78 WeakPolarHBondContact O-CB 3.48Å; A8-L78 WeakPolarHBondContact O-CG 3.36Å; A8-L78 PolarHBondContact O-N 2.82Å; V10-L78 HydrophobicContact CB-CD1 4.03Å; V10-L78 HydrophobicContact CG1-CD1 3.76Å; L75-L78 HydrophobicContact CB-CD2 3.99Å; L75-L78 HydrophobicContact CD1-CD2 4.31Å; N76-L78 PolarHBondContact O-N 2.9Å; L78-D82 VanDerWaalsContact CA-OD2 3.31Å; L78-D82 WeakPolarHBondContact CA-OD2 3.23Å; L78-D82 HydrophobicContact CB-CB 4.49Å; L78-D82 HydrophobicContact CD2-CB 3.47Å; L78-D82 VanDerWaalsContact CD2-CB 3.47Å; L78-V102 HydrophobicContact CD1-CG1 4.35Å; L78-V104 HydrophobicContact CB-CG2 3.97Å | ||
| 79 | T | 94.4 | Very high | 96.4 | Very high | 60 Ų | 60 | 36.9 Ų | 36.9 | 37% | 0.368 | 21% | 0.209 | S | C | . | . | trans | -118 | 178.8 | -178.8 | 71.6 | 0 | 0 | 0 | 0 | 111.2 | E81 D82 | T79-E81 PolarHBondContact O-N 3.29Å; T79-E81 VanDerWaalsContact O-N 3.13Å; T79-E81 PolarHBondContact OG1-N 3.15Å; T79-D82 PolarHBondContact N-OD2 2.84Å; T79-D82 PolarHBondContact O-N 2.91Å; T79-D82 VanDerWaalsContact O-N 3.17Å; T79-D82 PolarHBondContact OG1-OD2 3.25Å | ||
| 80 | S | 91.9 | Very high | 96.3 | Very high | 108 Ų | 108 | 35 Ų | 35 | 76% | 0.755 | 20% | 0.196 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -12.6 | 174.1 | 51 | 0 | 0 | 0 | 0 | 114.2 | P83 | S80-P83 VanDerWaalsContact O-CD 3.25Å; S80-P83 WeakPolarHBondContact O-CD 3.4Å |
| 81 | E | 90.9 | Very high | 95.8 | Very high | 156 Ų | 156 | 35.1 Ų | 35.1 | 73% | 0.729 | 20% | 0.198 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -94 | -10.7 | 178.5 | -60 | -175.8 | 173.8 | 0 | 0 | 113.3 | K30 T79 P83 | K30-E81 PolarHBondContact NZ-O 3.45Å; T79-E81 PolarHBondContact O-N 3.29Å; T79-E81 VanDerWaalsContact O-N 3.13Å; T79-E81 PolarHBondContact OG1-N 3.15Å; E81-P83 VanDerWaalsContact C-CD 3.43Å |
| 82 | D | 94.8 | Very high | 95.3 | Very high | 12 Ų | 12 | 42.3 Ų | 42.3 | 6% | 0.064 | 24% | 0.237 | C | C | . | . | trans | -82.8 | -17 | -179.5 | -66.9 | -48.2 | 0 | 0 | 0 | 116.5 | K30 K59 L78 T79 A84 Y86 | K30-D82 IonicContact NZ-OD1 3.79Å; K59-D82 WeakPolarHBondContact CE-OD2 3.44Å; K59-D82 IonicContact NZ-OD1 3.97Å; K59-D82 IonicContact NZ-OD2 2.7Å; K59-D82 PolarHBondContact NZ-OD2 2.88Å; L78-D82 VanDerWaalsContact CA-OD2 3.31Å; L78-D82 WeakPolarHBondContact CA-OD2 3.23Å; L78-D82 HydrophobicContact CB-CB 4.49Å; L78-D82 HydrophobicContact CD2-CB 3.47Å; L78-D82 VanDerWaalsContact CD2-CB 3.47Å; T79-D82 PolarHBondContact N-OD2 2.84Å; T79-D82 PolarHBondContact O-N 2.91Å; T79-D82 VanDerWaalsContact O-N 3.17Å; T79-D82 PolarHBondContact OG1-OD2 3.25Å; D82-A84 PolarHBondContact O-N 2.99Å; D82-Y86 WeakPolarHBondContact O-CE2 3.04Å; D82-Y86 PolarHBondContact O-OH 2.93Å | ||
| 83 | P | 95.7 | Very high | 95 | Very high | 48 Ų | 48 | 44.1 Ų | 44.1 | 31% | 0.312 | 25% | 0.246 | S | C | . | . | trans | -56.3 | 117.5 | 174.5 | -26.4 | 35.3 | 0 | 0 | 0 | 112.6 | S80 E81 V102 V104 | S80-P83 VanDerWaalsContact O-CD 3.25Å; S80-P83 WeakPolarHBondContact O-CD 3.4Å; E81-P83 VanDerWaalsContact C-CD 3.43Å; P83-V102 VanDerWaalsContact CA-O 3.3Å; P83-V102 WeakPolarHBondContact CA-O 3.24Å; P83-V104 HydrophobicContact CG-CB 4.07Å; P83-V104 HydrophobicContact CG-CG2 4.08Å | ||
| 84 | A | 97.3 | Very high | 94.6 | Very high | 5 Ų | 5 | 47.5 Ų | 47.5 | 4% | 0.041 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -168.9 | 169.2 | -173.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | K30 Q31 D82 Y86 V102 | K30-A84 HydrophobicContact CD-CB 4.14Å; K30-A84 VanDerWaalsContact CE-CB 3.5Å; K30-A84 HydrophobicContact CG-CB 3.55Å; Q31-A84 WeakPolarHBondContact O-CA 3.16Å; Q31-A84 VanDerWaalsContact O-CB 3.25Å; Q31-A84 WeakPolarHBondContact O-CB 3.45Å; D82-A84 PolarHBondContact O-N 2.99Å; A84-Y86 HydrophobicContact CB-CD2 4.3Å; A84-Y86 HydrophobicContact CB-CE2 3.79Å; A84-V102 PolarHBondContact N-O 2.92Å; A84-V102 PolarHBondContact O-N 3.23Å |
| 85 | V | 97.9 | Very high | 94.2 | Very high | 35 Ų | 35 | 50.6 Ų | 50.6 | 21% | 0.212 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 127.8 | 162.5 | -168.4 | 0 | 0 | 0 | 0 | 108.7 | Q31 Y87 T100 L101 | Q31-V85 PolarHBondContact N-O 3.39Å; Q31-V85 PolarHBondContact O-N 2.81Å; V85-Y87 HydrophobicContact CB-CE2 3.68Å; V85-Y87 HydrophobicContact CG1-CD2 4.25Å; V85-Y87 HydrophobicContact CG1-CE1 3.89Å; V85-Y87 HydrophobicContact CG1-CE2 3.52Å; V85-Y87 VanDerWaalsContact CG1-OH 3.31Å; V85-Y87 WeakPolarHBondContact CG1-OH 3.29Å; V85-T100 WeakPolarHBondContact CA-O 3.41Å; V85-L101 HydrophobicContact CG2-CB 4.42Å; V85-L101 HydrophobicContact CG2-CD1 4.06Å |
| 86 | Y | 98.1 | Very high | 94.1 | Very high | 2 Ų | 2 | 55.6 Ų | 55.6 | 1% | 0.008 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 126.9 | 179.7 | -69.1 | -91.7 | 0 | 0 | 0 | 110.3 | M12 V29 K30 I40 M73 L75 D82 A84 G99 T100 V102 | M12-Y86 HydrophobicContact CE-CD1 4.31Å; M12-Y86 HydrophobicContact CE-CD2 4.11Å; M12-Y86 HydrophobicContact CE-CG 3.8Å; M12-Y86 VanDerWaalsContact SD-CB 3.55Å; M12-Y86 HydrophobicContact SD-CG 4.2Å; V29-Y86 CarbonylContact O-C 3.42Å; V29-Y86 WeakPolarHBondContact O-CA 3.5Å; K30-Y86 HydrophobicContact CB-CD1 4.15Å; K30-Y86 HydrophobicContact CB-CE1 3.93Å; K30-Y86 HydrophobicContact CD-CE1 3.95Å; K30-Y86 HydrophobicContact CG-CD1 4.24Å; K30-Y86 HydrophobicContact CG-CE1 3.72Å; I40-Y86 HydrophobicContact CD1-CD1 3.68Å; I40-Y86 HydrophobicContact CD1-CE1 3.87Å; M73-Y86 HydrophobicContact CE-CD1 3.6Å; M73-Y86 HydrophobicContact CE-CE1 4.21Å; M73-Y86 HydrophobicContact CE-CG 4.22Å; L75-Y86 HydrophobicContact CD1-CD1 3.94Å; L75-Y86 HydrophobicContact CD1-CD2 4.41Å; L75-Y86 HydrophobicContact CD1-CE1 3.41Å; L75-Y86 VanDerWaalsContact CD1-CE1 3.41Å; L75-Y86 HydrophobicContact CD1-CE2 3.95Å; L75-Y86 HydrophobicContact CD1-CG 4.38Å; L75-Y86 HydrophobicContact CD2-CE1 4.39Å; D82-Y86 WeakPolarHBondContact O-CE2 3.04Å; D82-Y86 PolarHBondContact O-OH 2.93Å; A84-Y86 HydrophobicContact CB-CD2 4.3Å; A84-Y86 HydrophobicContact CB-CE2 3.79Å; Y86-G99 CarbonylContact O-C 3.58Å; Y86-G99 VanDerWaalsContact O-CA 3.24Å; Y86-G99 WeakPolarHBondContact O-CA 3.45Å; Y86-T100 PolarHBondContact N-O 2.8Å; Y86-T100 PolarHBondContact O-N 2.89Å; Y86-V102 HydrophobicContact CD2-CB 3.98Å; Y86-V102 HydrophobicContact CD2-CG2 3.67Å; Y86-V102 HydrophobicContact CE2-CB 3.88Å; Y86-V102 HydrophobicContact CE2-CG2 4Å |
| 87 | Y | 98.1 | Very high | 94.1 | Very high | 45 Ų | 45 | 55 Ų | 55 | 18% | 0.176 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 149.1 | -176.4 | -60.2 | -87.6 | 0 | 0 | 0 | 110.7 | W28 V29 Q31 V85 W96 G99 | W28-Y87 CarbonylContact C-O 3.5Å; W28-Y87 WeakPolarHBondContact CA-O 3.24Å; V29-Y87 PolarHBondContact N-O 2.81Å; V29-Y87 PolarHBondContact O-N 2.79Å; Q31-Y87 HydrophobicContact CB-CD2 4.37Å; Q31-Y87 HydrophobicContact CB-CE2 3.77Å; Q31-Y87 PolarHBondContact OE1-OH 2.81Å; V85-Y87 HydrophobicContact CB-CE2 3.68Å; V85-Y87 HydrophobicContact CG1-CD2 4.25Å; V85-Y87 HydrophobicContact CG1-CE1 3.89Å; V85-Y87 HydrophobicContact CG1-CE2 3.52Å; V85-Y87 VanDerWaalsContact CG1-OH 3.31Å; V85-Y87 WeakPolarHBondContact CG1-OH 3.29Å; Y87-W96 HydrophobicContact CD1-CE3 4.47Å; Y87-W96 HydrophobicContact CG-CE3 4.21Å; Y87-W96 HydrophobicContact CG-CZ3 4.33Å; Y87-G99 VanDerWaalsContact CD1-CA 3.4Å |
| 88 | C | 97.4 | Very high | 94 | Very high | 12 Ų | 12 | 60.3 Ų | 60.3 | 8% | 0.081 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 150.2 | 159 | 62 | 0 | 0 | 0 | 0 | 109.9 | C14 M26 N27 W28 G97 | C14-C88 HydrophobicContact CB-CB 3.44Å; C14-C88 VanDerWaalsContact CB-CB 3.44Å; C14-C88 WeakPolarHBondContact CB-SG 3.42Å; C14-C88 WeakPolarHBondContact SG-CB 3.36Å; C14-C88 CovalentContact SG-SG 2.02Å; C14-C88 PolarHBondContact SG-SG 2.92Å; M26-C88 HydrophobicContact CG-CB 4.45Å; M26-C88 HydrophobicContact SD-CB 3.83Å; N27-C88 CarbonylContact O-C 3.59Å; N27-C88 WeakPolarHBondContact O-CA 3.44Å; W28-C88 HydrophobicContact CD2-CB 4.35Å; W28-C88 HydrophobicContact CE3-CB 4.1Å; W28-C88 HydrophobicContact CH2-CB 4.22Å; W28-C88 HydrophobicContact CZ2-CB 4.44Å; W28-C88 HydrophobicContact CZ3-CB 4.04Å; C88-G97 PolarHBondContact O-N 3.1Å |
| 89 | A | 96.8 | Very high | 94.1 | Very high | 1 Ų | 1 | 61.6 Ų | 61.6 | 1% | 0.008 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 145 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | N27 F93 Y95 W96 | N27-A89 HydrophobicContact CB-CB 4.45Å; N27-A89 WeakPolarHBondContact CB-O 3.36Å; N27-A89 PolarHBondContact N-O 3.46Å; N27-A89 PolarHBondContact O-N 3.07Å; A89-F93 HydrophobicContact CB-CD1 3.74Å; A89-F93 HydrophobicContact CB-CE1 4.35Å; A89-Y95 CarbonylContact C-O 3.58Å; A89-Y95 WeakPolarHBondContact CA-O 3.21Å; A89-Y95 WeakPolarHBondContact CB-O 3.46Å; A89-W96 HydrophobicContact CB-CD2 3.83Å; A89-W96 HydrophobicContact CB-CE3 3.96Å; A89-W96 HydrophobicContact CB-CG 4.32Å; A89-W96 HydrophobicContact CB-CH2 4.32Å; A89-W96 HydrophobicContact CB-CZ2 4.2Å; A89-W96 HydrophobicContact CB-CZ3 4.21Å |
| 90 | S | 94.1 | Very high | 94.2 | Very high | 4 Ų | 4 | 60.8 Ų | 60.8 | 3% | 0.028 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 176.4 | 179.7 | 71.8 | 0 | 0 | 0 | 0 | 111.5 | Y19 N92 F93 A94 Y95 | Y19-S90 VanDerWaalsContact OH-CB 3.3Å; Y19-S90 WeakPolarHBondContact OH-CB 3.28Å; Y19-S90 PolarHBondContact OH-OG 3.32Å; S90-N92 PolarHBondContact O-N 2.94Å; S90-F93 PolarHBondContact O-N 3.47Å; S90-F93 VanDerWaalsContact O-N 3.14Å; S90-A94 PolarHBondContact O-N 3.21Å; S90-Y95 PolarHBondContact N-O 3.38Å; S90-Y95 PolarHBondContact O-N 2.59Å |
| 91 | G | 87.9 | Confident | 94.4 | Very high | 10 Ų | 10 | 59.2 Ų | 59.2 | 10% | 0.103 | 31% | 0.313 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 59.1 | 47.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | F93 A94 | G91-F93 VanDerWaalsContact C-N 3.3Å; G91-F93 PolarHBondContact O-N 2.97Å; G91-A94 WeakPolarHBondContact O-CB 3.32Å; G91-A94 PolarHBondContact O-N 3.23Å; G91-A94 VanDerWaalsContact O-N 3.1Å |
| 92 | N | 86.4 | Confident | 94.7 | Very high | 152 Ų | 152 | 51.8 Ų | 51.8 | 81% | 0.813 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.8 | 42.5 | -173.8 | -60.3 | -31.1 | 0 | 0 | 0 | 113.4 | S90 A94 | S90-N92 PolarHBondContact O-N 2.94Å; N92-A94 PolarHBondContact O-N 3.42Å |
| 93 | F | 91.3 | Very high | 94.8 | Very high | 91 Ų | 91 | 53.6 Ų | 53.6 | 40% | 0.399 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 66.2 | 17.8 | -177.1 | -51.7 | -86.7 | 0 | 0 | 0 | 114.9 | N27 V29 A89 S90 G91 Y95 W96 | N27-F93 HydrophobicContact CB-CE1 3.81Å; N27-F93 HydrophobicContact CB-CZ 4.14Å; V29-F93 HydrophobicContact CG2-CE1 4.19Å; A89-F93 HydrophobicContact CB-CD1 3.74Å; A89-F93 HydrophobicContact CB-CE1 4.35Å; S90-F93 PolarHBondContact O-N 3.47Å; S90-F93 VanDerWaalsContact O-N 3.14Å; G91-F93 VanDerWaalsContact C-N 3.3Å; G91-F93 PolarHBondContact O-N 2.97Å; F93-Y95 VanDerWaalsContact C-N 3.35Å; F93-W96 HydrophobicContact CB-CZ2 4.03Å; F93-W96 HydrophobicContact CD1-CH2 4.01Å; F93-W96 AromaticContact CD1-CZ2 3.6Å; F93-W96 HydrophobicContact CD1-CZ2 3.6Å; F93-W96 HydrophobicContact CG-CZ2 4.25Å; F93-W96 PolarHBondContact O-NE1 3.02Å |
| 94 | A | 90.4 | Very high | 94.7 | Very high | 71 Ų | 71 | 52.6 Ų | 52.6 | 59% | 0.587 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72 | -30.5 | 170.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | S90 G91 N92 | S90-A94 PolarHBondContact O-N 3.21Å; G91-A94 WeakPolarHBondContact O-CB 3.32Å; G91-A94 PolarHBondContact O-N 3.23Å; G91-A94 VanDerWaalsContact O-N 3.1Å; N92-A94 PolarHBondContact O-N 3.42Å |
| 95 | Y | 90.6 | Very high | 94.4 | Very high | 136 Ų | 136 | 54.9 Ų | 54.9 | 53% | 0.533 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 129.8 | -178.6 | -54 | -72.1 | 0 | 0 | 0 | 110.5 | A89 S90 F93 | A89-Y95 CarbonylContact C-O 3.58Å; A89-Y95 WeakPolarHBondContact CA-O 3.21Å; A89-Y95 WeakPolarHBondContact CB-O 3.46Å; S90-Y95 PolarHBondContact N-O 3.38Å; S90-Y95 PolarHBondContact O-N 2.59Å; F93-Y95 VanDerWaalsContact C-N 3.35Å |
| 96 | W | 95.2 | Very high | 93.5 | Very high | 105 Ų | 105 | 59.6 Ų | 59.6 | 40% | 0.398 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 138.3 | 179.6 | -70.8 | 77.6 | 0 | 0 | 0 | 110.6 | V29 L37 Y87 A89 F93 | V29-W96 HydrophobicContact CB-CH2 4.32Å; V29-W96 HydrophobicContact CB-CZ3 4.02Å; V29-W96 HydrophobicContact CG1-CH2 4.27Å; V29-W96 HydrophobicContact CG1-CZ3 4.23Å; V29-W96 HydrophobicContact CG2-CH2 3.92Å; V29-W96 HydrophobicContact CG2-CZ3 3.97Å; L37-W96 HydrophobicContact CD1-CH2 3.87Å; L37-W96 HydrophobicContact CD1-CZ3 4.36Å; Y87-W96 HydrophobicContact CD1-CE3 4.47Å; Y87-W96 HydrophobicContact CG-CE3 4.21Å; Y87-W96 HydrophobicContact CG-CZ3 4.33Å; A89-W96 HydrophobicContact CB-CD2 3.83Å; A89-W96 HydrophobicContact CB-CE3 3.96Å; A89-W96 HydrophobicContact CB-CG 4.32Å; A89-W96 HydrophobicContact CB-CH2 4.32Å; A89-W96 HydrophobicContact CB-CZ2 4.2Å; A89-W96 HydrophobicContact CB-CZ3 4.21Å; F93-W96 HydrophobicContact CB-CZ2 4.03Å; F93-W96 HydrophobicContact CD1-CH2 4.01Å; F93-W96 AromaticContact CD1-CZ2 3.6Å; F93-W96 HydrophobicContact CD1-CZ2 3.6Å; F93-W96 HydrophobicContact CG-CZ2 4.25Å; F93-W96 PolarHBondContact O-NE1 3.02Å |
| 97 | G | 95.1 | Very high | 93.2 | Very high | 26 Ų | 26 | 62.5 Ų | 62.5 | 27% | 0.268 | 36% | 0.358 | S | S | . | . | trans | -69.2 | 162.1 | 165.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | C88 G99 | C88-G97 PolarHBondContact O-N 3.1Å; G97-G99 PolarHBondContact O-N 2.82Å; G97-G99 VanDerWaalsContact O-N 3.1Å | ||
| 98 | Q | 94.9 | Very high | 93 | Very high | 187 Ų | 187 | 63.4 Ų | 63.4 | 87% | 0.874 | 37% | 0.368 | S | S | * | . | trans | -62.8 | -18.1 | 178.9 | -65.1 | -62.9 | -39.9 | 0 | 0 | 113.8 | ||||
| 99 | G | 96.1 | Very high | 92.7 | Very high | 28 Ų | 28 | 66.3 Ų | 66.3 | 29% | 0.289 | 38% | 0.384 | S | S | . | . | trans | 85.4 | 150.7 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y86 Y87 G97 | Y86-G99 CarbonylContact O-C 3.58Å; Y86-G99 VanDerWaalsContact O-CA 3.24Å; Y86-G99 WeakPolarHBondContact O-CA 3.45Å; Y87-G99 VanDerWaalsContact CD1-CA 3.4Å; G97-G99 PolarHBondContact O-N 2.82Å; G97-G99 VanDerWaalsContact O-N 3.1Å | ||
| 100 | T | 97.1 | Very high | 92.5 | Very high | 43 Ų | 43 | 70.1 Ų | 70.1 | 26% | 0.264 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 113.4 | 175.3 | -59.7 | 0 | 0 | 0 | 0 | 108.9 | V2 V85 Y86 V102 | V2-T100 HydrophobicContact CG2-CG2 3.73Å; V85-T100 WeakPolarHBondContact CA-O 3.41Å; Y86-T100 PolarHBondContact N-O 2.8Å; Y86-T100 PolarHBondContact O-N 2.89Å; T100-V102 HydrophobicContact CG2-CG2 4.26Å; T100-V102 PolarHBondContact O-N 3.5Å |
| 101 | L | 97.3 | Very high | 92.4 | Very high | 75 Ų | 75 | 74.3 Ų | 74.3 | 39% | 0.393 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 120 | 168.3 | 175.9 | 62.8 | 0 | 0 | 0 | 109 | P1 V2 V85 T103 | P1-L101 CarbonylContact C-O 3.52Å; P1-L101 WeakPolarHBondContact CA-O 3.25Å; P1-L101 HydrophobicContact CB-CB 4.35Å; P1-L101 HydrophobicContact CB-CD2 4.4Å; V2-L101 PolarHBondContact N-O 3.23Å; V85-L101 HydrophobicContact CG2-CB 4.42Å; V85-L101 HydrophobicContact CG2-CD1 4.06Å; L101-T103 HydrophobicContact CD1-CG2 4.27Å; L101-T103 HydrophobicContact CD2-CG2 4.37Å; L101-T103 HydrophobicContact CG-CG2 4.15Å |
| 102 | V | 96.9 | Very high | 92.7 | Very high | 0 Ų | 0 | 78.5 Ų | 78.5 | 0% | 0 | 45% | 0.451 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 131.5 | 171.2 | 179.3 | 0 | 0 | 0 | 0 | 108.3 | V2 V4 V10 M12 L78 P83 A84 Y86 T100 | V2-V102 HydrophobicContact CB-CG2 4.46Å; V2-V102 WeakPolarHBondContact O-CA 3.47Å; V4-V102 HydrophobicContact CG2-CG1 4.44Å; V10-V102 HydrophobicContact CG1-CG1 4.42Å; V10-V102 HydrophobicContact CG1-CG2 4.47Å; M12-V102 HydrophobicContact CE-CG2 4.11Å; L78-V102 HydrophobicContact CD1-CG1 4.35Å; P83-V102 VanDerWaalsContact CA-O 3.3Å; P83-V102 WeakPolarHBondContact CA-O 3.24Å; A84-V102 PolarHBondContact N-O 2.92Å; A84-V102 PolarHBondContact O-N 3.23Å; Y86-V102 HydrophobicContact CD2-CB 3.98Å; Y86-V102 HydrophobicContact CD2-CG2 3.67Å; Y86-V102 HydrophobicContact CE2-CB 3.88Å; Y86-V102 HydrophobicContact CE2-CG2 4Å; T100-V102 HydrophobicContact CG2-CG2 4.26Å; T100-V102 PolarHBondContact O-N 3.5Å |
| 103 | T | 96.1 | Very high | 93.1 | Very high | 49 Ų | 49 | 73.3 Ų | 73.3 | 30% | 0.301 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 138.4 | 178.3 | 46.7 | 0 | 0 | 0 | 0 | 109.7 | V2 L3 V4 L101 | V2-T103 PolarHBondContact O-N 3.41Å; V2-T103 PolarHBondContact O-OG1 2.63Å; L3-T103 WeakPolarHBondContact CA-O 3.41Å; L3-T103 WeakPolarHBondContact CD1-OG1 3.16Å; V4-T103 PolarHBondContact N-O 2.95Å; L101-T103 HydrophobicContact CD1-CG2 4.27Å; L101-T103 HydrophobicContact CD2-CG2 4.37Å; L101-T103 HydrophobicContact CG-CG2 4.15Å |
| 104 | V | 94.3 | Very high | 93.3 | Very high | 27 Ų | 27 | 71.9 Ų | 71.9 | 16% | 0.164 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 118.7 | 179.6 | -174.4 | 0 | 0 | 0 | 0 | 108.5 | V4 P6 L78 P83 | V4-V104 HydrophobicContact CG2-CG2 3.89Å; V4-V104 WeakPolarHBondContact O-CA 3.23Å; P6-V104 HydrophobicContact CB-CG1 4.31Å; P6-V104 HydrophobicContact CG-CG1 3.94Å; L78-V104 HydrophobicContact CB-CG2 3.97Å; P83-V104 HydrophobicContact CG-CB 4.07Å; P83-V104 HydrophobicContact CG-CG2 4.08Å |
| 105 | S | 90.9 | Very high | 93.5 | Very high | 53 Ų | 53 | 72 Ų | 72 | 37% | 0.371 | 41% | 0.414 | S | S | . | . | trans | -137.9 | 147.3 | 178.3 | 71.9 | 0 | 0 | 0 | 0 | 111.4 | L3 V4 K5 P6 | L3-S105 WeakPolarHBondContact CD1-OG 3.37Å; V4-S105 PolarHBondContact O-N 2.67Å; K5-S105 WeakPolarHBondContact CA-O 3.34Å; P6-S105 WeakPolarHBondContact CD-O 3.41Å | ||
| 106 | A | 77.9 | Confident | 93.8 | Very high | 135 Ų | 135 | 66.2 Ų | 66.2 | 100% | 1.116 | 40% | 0.403 | S | S | * | . | trans | -68.4 | 0 | 174 | 0 | 0 | 0 | 0 | 0 | 111.9 |
Retrieved 106 of 106 residues in 23.1 ms
(Link to these results)