A0A096LUJ0_POEFO Loading...

Nucleoporin 43

AlphaFold DB , UniProt , Accession A0A096LUJ0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 370 aa.

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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
1M51.9Low84.6Confident77 Ų7773 Ų7338%0.37938%0.378SS..  0125.90-89.8178.1-175.400107.9M335 L336 L353 F363 N365M1-M335 HydrophobicContact CE-CB 4.38Å; M1-M335 VanDerWaalsContact SD-O 3.37Å; M1-L336 HydrophobicContact CE-CD2 4.16Å; M1-L336 HydrophobicContact SD-CD2 3.38Å; M1-L336 WeakPolarHBondContact SD-CD2 3.32Å; M1-L336 HydrophobicContact SD-CG 4.31Å; M1-L353 HydrophobicContact CE-CD2 3.45Å; M1-L353 VanDerWaalsContact CE-CD2 3.45Å; M1-L353 HydrophobicContact CE-CG 4.12Å; M1-F363 HydrophobicContact CE-CB 4.41Å; M1-F363 HydrophobicContact SD-CB 3.8Å; M1-F363 HydrophobicContact SD-CD1 4.27Å; M1-F363 HydrophobicContact SD-CG 4.39Å; M1-N365 HydrophobicContact CE-CB 3.97Å; M1-N365 HydrophobicContact CG-CB 3.83Å
2E54.5Low85.7Confident198 Ų19867.8 Ų67.893%0.92535%0.352SS*.  trans-97.1-13.9-165.2-107177.5163.800116.1
3S72Confident86.7Confident72 Ų7264.5 Ų64.550%0.50333%0.334SS..  trans-168.9146.7164.452.90000111.5
4A87.3Confident87.5Confident33 Ų3359.9 Ų59.927%0.27331%0.31SS..EExtended strand (participates in β ladder)trans-87.3135.7166.400000108.9Y6 A361 I362 F363A4-Y6 HydrophobicContact CB-CE2 4.31Å; A4-A361 HydrophobicContact CB-CB 4.41Å; A4-I362 WeakPolarHBondContact CA-O 3.49Å; A4-F363 HydrophobicContact CB-CD1 3.92Å; A4-F363 HydrophobicContact CB-CE1 3.46Å; A4-F363 VanDerWaalsContact CB-CE1 3.46Å; A4-F363 HydrophobicContact CB-CE2 4.4Å; A4-F363 HydrophobicContact CB-CZ 3.73Å
5K92.7Very high88.2Confident55 Ų5557 Ų5724%0.23929%0.293CS..EExtended strand (participates in β ladder)trans-102.3115.5171.9-178.864.1161.6-156.20109.3V7 D62 P63 A361 I362K5-V7 HydrophobicContact CG-CG1 4.18Å; K5-D62 WeakPolarHBondContact CD-OD1 3.3Å; K5-D62 IonicContact NZ-OD1 3.57Å; K5-D62 IonicContact NZ-OD2 3.78Å; K5-D62 PolarHBondContact NZ-OD2 2.89Å; K5-P63 HydrophobicContact CB-CG 4.23Å; K5-P63 WeakPolarHBondContact CE-O 3.31Å; K5-P63 HydrophobicContact CG-CB 4.43Å; K5-A361 CarbonylContact O-C 3.52Å; K5-A361 WeakPolarHBondContact O-CA 3.32Å; K5-I362 HydrophobicContact CB-CB 4.42Å; K5-I362 PolarHBondContact N-O 3.11Å; K5-I362 PolarHBondContact O-N 2.77Å
6Y93.6Very high88.8Confident161 Ų16153.8 Ų53.863%0.63128%0.276SS*.EExtended strand (participates in β ladder)trans-83.3133175.6-65.8-87.7000110.6A4 G359 E360 A361A4-Y6 HydrophobicContact CB-CE2 4.31Å; Y6-G359 WeakPolarHBondContact CD1-O 2.9Å; Y6-G359 WeakPolarHBondContact CE1-O 3.06Å; Y6-E360 CarbonylContact C-O 3.55Å; Y6-E360 VanDerWaalsContact CA-O 3.29Å; Y6-E360 WeakPolarHBondContact CA-O 3.21Å; Y6-A361 HydrophobicContact CD1-CB 3.99Å; Y6-A361 HydrophobicContact CE1-CB 3.92Å
7V94Very high89.2Confident28 Ų2852.2 Ų52.217%0.1727%0.266CS..  trans-124.68.5-172.8-60.30000114.2K5 Q9 I11 W45 E360 I362K5-V7 HydrophobicContact CG-CG1 4.18Å; V7-Q9 PolarHBondContact O-N 3.25Å; V7-Q9 VanDerWaalsContact O-N 3.11Å; V7-I11 HydrophobicContact CG2-CD1 3.84Å; V7-I11 HydrophobicContact CG2-CG1 4.15Å; V7-W45 HydrophobicContact CB-CH2 4.08Å; V7-W45 HydrophobicContact CB-CZ2 4.19Å; V7-W45 HydrophobicContact CG1-CH2 3.39Å; V7-W45 HydrophobicContact CG1-CZ2 3.77Å; V7-W45 HydrophobicContact CG1-CZ3 4.02Å; V7-E360 PolarHBondContact N-O 3.47Å; V7-I362 HydrophobicContact CG1-CD1 3.44Å; V7-I362 VanDerWaalsContact CG1-CD1 3.44Å; V7-I362 HydrophobicContact CG1-CG1 4.08Å; V7-I362 HydrophobicContact CG2-CD1 4.37Å; V7-I362 HydrophobicContact CG2-CG1 4.38Å
8S93.3Very high89.4Confident94 Ų9452.2 Ų52.266%0.65727%0.27SS*.SBendtrans59.820.6175.3-55.60000115E360S8-E360 WeakPolarHBondContact CA-OE2 3.21Å
9Q95.1Very high89.3Confident30 Ų3051.8 Ų51.814%0.1427%0.27CS..SBendtrans-142.9137.4173.6-64.4-167.4-4400108.9V7 I11 E39 E360V7-Q9 PolarHBondContact O-N 3.25Å; V7-Q9 VanDerWaalsContact O-N 3.11Å; Q9-I11 PolarHBondContact O-N 2.89Å; Q9-E39 PolarHBondContact NE2-O 2.7Å; Q9-E360 WeakPolarHBondContact O-CA 3.24Å
10K97.7Very high88.5Confident54 Ų5451.9 Ų51.924%0.23528%0.275CS..  trans-66.1135.1170-63-179.3179.6-177.70109.7S34 W35 D36 N37 E360K10-S34 VanDerWaalsContact O-CA 3.23Å; K10-S34 WeakPolarHBondContact O-CA 3.24Å; K10-S34 WeakPolarHBondContact O-CB 3.42Å; K10-W35 WeakPolarHBondContact CB-O 3.25Å; K10-W35 PolarHBondContact O-N 3.26Å; K10-W35 VanDerWaalsContact O-N 3.13Å; K10-D36 HydrophobicContact CD-CB 4.21Å; K10-D36 IonicContact NZ-OD2 2.7Å; K10-D36 PolarHBondContact NZ-OD2 3.39Å; K10-N37 PolarHBondContact N-OD1 2.67Å; K10-E360 HydrophobicContact CG-CG 4.32Å
11I98.1Very high87.2Confident1 Ų160 Ų601%0.00530%0.304CS..EExtended strand (participates in β ladder)trans-103.1119-171.2-59176.8000109.4V7 Q9 T14 I32 N344 T357 I362V7-I11 HydrophobicContact CG2-CD1 3.84Å; V7-I11 HydrophobicContact CG2-CG1 4.15Å; Q9-I11 PolarHBondContact O-N 2.89Å; I11-T14 HydrophobicContact CG2-CG2 3.63Å; I11-I32 HydrophobicContact CB-CG2 4.26Å; I11-I32 HydrophobicContact CD1-CG2 4.3Å; I11-I32 HydrophobicContact CG1-CG2 4.08Å; I11-I32 HydrophobicContact CG2-CG2 3.4Å; I11-I32 VanDerWaalsContact CG2-CG2 3.4Å; I11-N344 VanDerWaalsContact O-CB 3.3Å; I11-N344 WeakPolarHBondContact O-CB 3.47Å; I11-N344 PolarHBondContact O-ND2 2.86Å; I11-T357 PolarHBondContact N-O 2.87Å; I11-I362 HydrophobicContact CD1-CB 4.38Å; I11-I362 HydrophobicContact CD1-CD1 4.31Å; I11-I362 HydrophobicContact CD1-CG1 3.3Å
12S98.3Very high87.6Confident10 Ų1061.3 Ų61.37%0.0732%0.321CS..EExtended strand (participates in β ladder)trans-90.7-32.7177.155.80000113.3G33 V75 S345S12-G33 PolarHBondContact N-O 3.49Å; S12-G33 PolarHBondContact OG-O 2.96Å; S12-V75 WeakPolarHBondContact CB-O 3.19Å; S12-V75 PolarHBondContact OG-O 3.27Å; S12-S345 WeakPolarHBondContact O-CB 3.24Å
13K98.6Very high88.2Confident25 Ų2553.8 Ų53.811%0.10929%0.29CS..EExtended strand (participates in β ladder)trans-145138.1-173.3-69.5-74160.7-94.80112.6I32 G33 L76 D77 L78 E258 S345K13-I32 CarbonylContact O-C 3.59Å; K13-I32 VanDerWaalsContact O-CA 3.27Å; K13-I32 WeakPolarHBondContact O-CA 3.29Å; K13-G33 PolarHBondContact N-O 2.97Å; K13-G33 PolarHBondContact O-N 3.12Å; K13-L76 VanDerWaalsContact CE-O 3.23Å; K13-L76 WeakPolarHBondContact CE-O 3.46Å; K13-D77 WeakPolarHBondContact CD-OD1 3.45Å; K13-D77 WeakPolarHBondContact CE-OD1 3.49Å; K13-L78 HydrophobicContact CB-CB 3.77Å; K13-L78 HydrophobicContact CG-CB 4.22Å; K13-E258 VanDerWaalsContact CD-OE1 3.29Å; K13-E258 WeakPolarHBondContact CD-OE1 3.25Å; K13-E258 VanDerWaalsContact CE-OE1 3.24Å; K13-E258 WeakPolarHBondContact CE-OE1 3.44Å; K13-E258 IonicContact NZ-OE1 3.29Å; K13-E258 PolarHBondContact NZ-OE1 2.57Å; K13-S345 WeakPolarHBondContact CA-OG 2.94Å
14T98.3Very high87.9Confident0 Ų059.2 Ų59.20%031%0.312CS..EExtended strand (participates in β ladder)trans-133.3130.9172.855.20000110.1I11 A31 I32 S345 D347 V354I11-T14 HydrophobicContact CG2-CG2 3.63Å; T14-A31 WeakPolarHBondContact CA-O 3.25Å; T14-I32 HydrophobicContact CG2-CG1 4.33Å; T14-I32 HydrophobicContact CG2-CG2 4.41Å; T14-S345 PolarHBondContact N-OG 2.79Å; T14-D347 WeakPolarHBondContact O-CB 3.3Å; T14-V354 HydrophobicContact CG2-CG2 4.33Å
15R98.4Very high87.3Confident17 Ų1764.7 Ų64.76%0.06433%0.332CS..EExtended strand (participates in β ladder)trans-139.2136.9176.1-60.5-65.5173.7-117.61.1112.4F30 A31 D77 L78 F80 E258 S345 L346 D347R15-F30 CarbonylContact O-C 3.57Å; R15-F30 WeakPolarHBondContact O-CA 3.33Å; R15-F30 WeakPolarHBondContact O-CB 3.46Å; R15-A31 PolarHBondContact N-O 2.9Å; R15-A31 PolarHBondContact O-N 2.61Å; R15-D77 IonicContact NH2-OD1 3.6Å; R15-L78 HydrophobicContact CB-CD2 3.85Å; R15-L78 HydrophobicContact CG-CD2 3.62Å; R15-L78 WeakPolarHBondContact CG-O 3.48Å; R15-L78 PolarHBondContact NE-O 2.72Å; R15-L78 VanDerWaalsContact NE-O 3.11Å; R15-F80 HydrophobicContact CB-CD2 3.93Å; R15-F80 HydrophobicContact CB-CE2 4.16Å; R15-F80 WeakPolarHBondContact O-CE2 3.49Å; R15-E258 IonicContact CZ-OE1 3.65Å; R15-E258 IonicContact CZ-OE2 2.72Å; R15-E258 IonicContact NH1-OE1 3.45Å; R15-E258 PolarHBondContact NH1-OE1 3.09Å; R15-E258 IonicContact NH1-OE2 2.94Å; R15-E258 PolarHBondContact NH1-OE2 3.11Å; R15-E258 IonicContact NH2-OE1 3.84Å; R15-E258 PolarHBondContact NH2-OE1 2.9Å; R15-E258 IonicContact NH2-OE2 3.15Å; R15-E258 PolarHBondContact NH2-OE2 3.28Å; R15-S345 PolarHBondContact NH1-OG 2.97Å; R15-L346 PolarHBondContact NH1-O 2.72Å; R15-D347 WeakPolarHBondContact CA-OD2 3.28Å
16W97.1Very high86.6Confident6 Ų666 Ų662%0.02334%0.34CS..EExtended strand (participates in β ladder)trans-70.3140.5168.9-73.4110.9000110.8P18 P27 F30 I47 F80 D347 L349 C352 V354 V364W16-P18 WeakPolarHBondContact O-CD 3.26Å; W16-P27 HydrophobicContact CD2-CB 4.18Å; W16-P27 HydrophobicContact CD2-CG 4.35Å; W16-P27 HydrophobicContact CE3-CB 3.81Å; W16-P27 HydrophobicContact CE3-CG 4.32Å; W16-P27 HydrophobicContact CZ3-CB 4.33Å; W16-F30 HydrophobicContact CD2-CB 4.11Å; W16-F30 HydrophobicContact CE3-CB 3.64Å; W16-F30 HydrophobicContact CE3-CD1 4.37Å; W16-F30 HydrophobicContact CE3-CG 4.38Å; W16-F30 HydrophobicContact CH2-CD1 4.13Å; W16-F30 HydrophobicContact CZ3-CB 3.95Å; W16-F30 AromaticContact CZ3-CD1 3.78Å; W16-F30 HydrophobicContact CZ3-CD1 3.78Å; W16-F30 HydrophobicContact CZ3-CG 4.21Å; W16-I47 HydrophobicContact CH2-CD1 3.68Å; W16-I47 HydrophobicContact CH2-CG1 4.43Å; W16-I47 HydrophobicContact CZ3-CD1 4.34Å; W16-F80 VanDerWaalsContact O-CD2 3.24Å; W16-F80 WeakPolarHBondContact O-CD2 3.39Å; W16-D347 PolarHBondContact N-OD2 3.31Å; W16-D347 PolarHBondContact NE1-O 3.47Å; W16-L349 HydrophobicContact CB-CB 3.99Å; W16-L349 HydrophobicContact CB-CD2 3.95Å; W16-L349 HydrophobicContact CG-CB 4.02Å; W16-C352 HydrophobicContact CH2-CB 4.43Å; W16-C352 HydrophobicContact CZ2-CB 3.84Å; W16-C352 PolarHBondContact NE1-O 2.82Å; W16-C352 VanDerWaalsContact NE1-O 3.13Å; W16-V354 HydrophobicContact CD2-CG1 4.3Å; W16-V354 HydrophobicContact CG-CG1 4.38Å; W16-V354 HydrophobicContact CZ2-CB 3.79Å; W16-V354 HydrophobicContact CZ2-CG1 4.17Å; W16-V364 HydrophobicContact CH2-CG1 4.28Å; W16-V364 HydrophobicContact CZ2-CG1 4.29Å
17R95.7Very high86.2Confident26 Ų2658.7 Ų58.710%0.09831%0.311CS..PPolyproline II helixtrans-67.2128.2166.5-177.1177.460.5172-2.4108.3V19 D28 I29 F80 Q83 Q102R17-V19 PolarHBondContact O-N 2.88Å; R17-D28 IonicContact NH2-OD1 3.74Å; R17-D28 PolarHBondContact NH2-OD1 3.35Å; R17-I29 HydrophobicContact CB-CB 4.23Å; R17-I29 HydrophobicContact CB-CG2 4.15Å; R17-I29 VanDerWaalsContact CB-O 3.25Å; R17-I29 WeakPolarHBondContact CB-O 3.32Å; R17-I29 VanDerWaalsContact CZ-CD1 3.49Å; R17-I29 PolarHBondContact N-O 3.41Å; R17-I29 VanDerWaalsContact NH2-CG1 3.32Å; R17-F80 HydrophobicContact CB-CE1 3.94Å; R17-F80 HydrophobicContact CB-CE2 4.22Å; R17-F80 HydrophobicContact CB-CZ 3.77Å; R17-F80 HydrophobicContact CG-CD1 4.3Å; R17-F80 HydrophobicContact CG-CE1 3.89Å; R17-F80 HydrophobicContact CG-CZ 4.26Å; R17-Q83 VanDerWaalsContact CD-O 3.24Å; R17-Q83 WeakPolarHBondContact CD-O 3.47Å; R17-Q102 VanDerWaalsContact NH1-CD 3.28Å
18P92.4Very high86.1Confident52 Ų5259.9 Ų59.934%0.33832%0.317SS..PPolyproline II helixtrans-57.9132.5177.7-2533.5000111.9W16 F80 Q83W16-P18 WeakPolarHBondContact O-CD 3.26Å; P18-F80 HydrophobicContact CG-CB 3.91Å; P18-Q83 WeakPolarHBondContact O-CG 3.28Å
19V87.4Confident86.1Confident46 Ų4656 Ų5628%0.27929%0.289SS..PPolyproline II helixtrans-95.5150.1171.9-64.20000110.4R17 Y21 P27 L349R17-V19 PolarHBondContact O-N 2.88Å; V19-Y21 PolarHBondContact O-N 2.77Å; V19-P27 HydrophobicContact CG1-CB 4.09Å; V19-L349 HydrophobicContact CG2-CD2 4.15Å
20S74.5Confident86.2Confident53 Ų5354.6 Ų54.637%0.37128%0.282SS..PPolyproline II helixtrans-66.2135.7173.9-177.50000109.4S22 S23S20-S22 PolarHBondContact O-N 3.31Å; S20-S22 PolarHBondContact OG-N 2.96Å; S20-S22 PolarHBondContact OG-OG 2.77Å; S20-S23 PolarHBondContact O-N 3.48Å; S20-S23 PolarHBondContact O-OG 2.87Å
21Y61.2Low86.2Confident221 Ų22152 Ų5287%0.86727%0.271SS*.THydrogen-bonded Turntrans-57.2-19.7175.7-69.1-78.9000113.8V19V19-Y21 PolarHBondContact O-N 2.77Å
22S60.5Low86.3Confident106 Ų10652.2 Ų52.274%0.74127%0.272SS*.THydrogen-bonded Turntrans-80.1-16.8175.462.70000114.1S20S20-S22 PolarHBondContact O-N 3.31Å; S20-S22 PolarHBondContact OG-N 2.96Å; S20-S22 PolarHBondContact OG-OG 2.77Å
23S65.1Low86.3Confident40 Ų4051.8 Ų51.828%0.2827%0.269SS..  trans-85.2120.6179.261.50000109.8S20 Q25S20-S23 PolarHBondContact O-N 3.48Å; S20-S23 PolarHBondContact O-OG 2.87Å; S23-Q25 PolarHBondContact O-N 2.88Å; S23-Q25 VanDerWaalsContact O-N 3.12Å
24L67.3Low86.3Confident185 Ų18550.7 Ų50.797%0.96926%0.264SS*.  trans-715.5168.6-68.1168000112.8
25Q73.1Confident86.3Confident149 Ų14954.5 Ų54.570%0.69628%0.279SS*.PPolyproline II helixtrans-83.9131.9-178.1-68.2-177.2-39.800109.7S23S23-Q25 PolarHBondContact O-N 2.88Å; S23-Q25 VanDerWaalsContact O-N 3.12Å
26Q79.2Confident86.2Confident83 Ų8358.2 Ų58.239%0.38830%0.3SS..PPolyproline II helixtrans-62.8149.7167.6-73-171.4-15.100110D28Q26-D28 PolarHBondContact O-N 3.12Å
27P85.6Confident86Confident6 Ų659.8 Ų59.84%0.03931%0.309CS..PPolyproline II helixtrans-60.6139.817530.2-37.6000110.5W16 V19 L349 C352W16-P27 HydrophobicContact CD2-CB 4.18Å; W16-P27 HydrophobicContact CD2-CG 4.35Å; W16-P27 HydrophobicContact CE3-CB 3.81Å; W16-P27 HydrophobicContact CE3-CG 4.32Å; W16-P27 HydrophobicContact CZ3-CB 4.33Å; V19-P27 HydrophobicContact CG1-CB 4.09Å; P27-L349 HydrophobicContact CB-CD2 3.98Å; P27-L349 HydrophobicContact CB-CG 4.43Å; P27-L349 HydrophobicContact CG-CB 4.07Å; P27-L349 HydrophobicContact CG-CD2 4.33Å; P27-L349 HydrophobicContact CG-CG 4.23Å; P27-L349 WeakPolarHBondContact CG-O 3.5Å; P27-C352 HydrophobicContact CG-CB 3.53Å
28D90.4Very high85.8Confident53 Ų5368.2 Ų68.228%0.28335%0.349SS..  trans-125.6-26.7-17659-9.6000112.1R17 Q26 S46 I47R17-D28 IonicContact NH2-OD1 3.74Å; R17-D28 PolarHBondContact NH2-OD1 3.35Å; Q26-D28 PolarHBondContact O-N 3.12Å; D28-S46 CarbonylContact O-C 3.6Å; D28-S46 VanDerWaalsContact O-CA 3.29Å; D28-S46 WeakPolarHBondContact O-CA 3.46Å; D28-I47 PolarHBondContact O-N 2.88Å
29I94.6Very high85.9Confident13 Ų1371.5 Ų71.57%0.06736%0.36CS..EExtended strand (participates in β ladder)trans-111.1137.1-178.1-63.5-162.9000111.4R17 V44 W45 I66R17-I29 HydrophobicContact CB-CB 4.23Å; R17-I29 HydrophobicContact CB-CG2 4.15Å; R17-I29 VanDerWaalsContact CB-O 3.25Å; R17-I29 WeakPolarHBondContact CB-O 3.32Å; R17-I29 VanDerWaalsContact CZ-CD1 3.49Å; R17-I29 PolarHBondContact N-O 3.41Å; R17-I29 VanDerWaalsContact NH2-CG1 3.32Å; I29-V44 HydrophobicContact CG2-CG1 3.51Å; I29-W45 VanDerWaalsContact CA-O 3.25Å; I29-W45 WeakPolarHBondContact CA-O 3.25Å; I29-I66 HydrophobicContact CD1-CD1 3.64Å; I29-I66 HydrophobicContact CG1-CD1 4.23Å
30F97.1Very high86.4Confident0 Ų069.7 Ų69.70%035%0.349CS..EExtended strand (participates in β ladder)trans-139.7160.6174.565.8-76.4000110.8R15 W16 I32 V44 W45 I47 P63 V354 I362R15-F30 CarbonylContact O-C 3.57Å; R15-F30 WeakPolarHBondContact O-CA 3.33Å; R15-F30 WeakPolarHBondContact O-CB 3.46Å; W16-F30 HydrophobicContact CD2-CB 4.11Å; W16-F30 HydrophobicContact CE3-CB 3.64Å; W16-F30 HydrophobicContact CE3-CD1 4.37Å; W16-F30 HydrophobicContact CE3-CG 4.38Å; W16-F30 HydrophobicContact CH2-CD1 4.13Å; W16-F30 HydrophobicContact CZ3-CB 3.95Å; W16-F30 AromaticContact CZ3-CD1 3.78Å; W16-F30 HydrophobicContact CZ3-CD1 3.78Å; W16-F30 HydrophobicContact CZ3-CG 4.21Å; F30-I32 HydrophobicContact CD2-CD1 4.18Å; F30-I32 HydrophobicContact CD2-CG1 3.85Å; F30-I32 HydrophobicContact CE2-CD1 3.51Å; F30-I32 HydrophobicContact CE2-CG1 3.72Å; F30-I32 HydrophobicContact CZ-CD1 4.37Å; F30-V44 WeakPolarHBondContact O-CA 3.45Å; F30-W45 HydrophobicContact CD1-CB 3.94Å; F30-W45 HydrophobicContact CD2-CB 4.33Å; F30-W45 HydrophobicContact CE1-CB 3.4Å; F30-W45 HydrophobicContact CE1-CG 4.41Å; F30-W45 HydrophobicContact CE2-CB 3.92Å; F30-W45 HydrophobicContact CE2-CG 4.2Å; F30-W45 HydrophobicContact CG-CB 4.36Å; F30-W45 HydrophobicContact CZ-CB 3.42Å; F30-W45 VanDerWaalsContact CZ-CB 3.42Å; F30-W45 AromaticContact CZ-CG 3.97Å; F30-W45 HydrophobicContact CZ-CG 3.97Å; F30-W45 PolarHBondContact N-O 3.32Å; F30-W45 PolarHBondContact O-N 3.07Å; F30-I47 HydrophobicContact CD1-CD1 4.01Å; F30-I47 HydrophobicContact CD1-CG1 4Å; F30-I47 HydrophobicContact CE1-CD1 3.48Å; F30-I47 VanDerWaalsContact CE1-CD1 3.48Å; F30-I47 HydrophobicContact CE1-CG1 3.47Å; F30-I47 VanDerWaalsContact CE1-CG1 3.47Å; F30-I47 HydrophobicContact CZ-CD1 4.29Å; F30-P63 HydrophobicContact CE1-CB 4.23Å; F30-P63 HydrophobicContact CZ-CB 4.01Å; F30-P63 HydrophobicContact CZ-CG 4.42Å; F30-V354 HydrophobicContact CD2-CG2 3.83Å; F30-V354 HydrophobicContact CE2-CG2 3.77Å; F30-V354 HydrophobicContact CG-CG2 4.45Å; F30-V354 HydrophobicContact CZ-CG2 4.41Å; F30-I362 HydrophobicContact CE2-CD1 4.31Å; F30-I362 HydrophobicContact CE2-CG2 4.01Å; F30-I362 HydrophobicContact CZ-CD1 4.36Å; F30-I362 HydrophobicContact CZ-CG2 4.12Å
31A98.4Very high87.5Confident0 Ų069.4 Ų69.40%034%0.341CS..EExtended strand (participates in β ladder)trans-116.7151.9176.600000111T14 R15 S43 V44 L78 F80 I86T14-A31 WeakPolarHBondContact CA-O 3.25Å; R15-A31 PolarHBondContact N-O 2.9Å; R15-A31 PolarHBondContact O-N 2.61Å; A31-S43 CarbonylContact C-O 3.55Å; A31-S43 VanDerWaalsContact CA-O 3.23Å; A31-S43 WeakPolarHBondContact CA-O 3.25Å; A31-V44 HydrophobicContact CB-CG2 4.39Å; A31-L78 HydrophobicContact CB-CD2 4.17Å; A31-F80 HydrophobicContact CB-CE2 3.65Å; A31-F80 HydrophobicContact CB-CZ 3.64Å; A31-I86 HydrophobicContact CB-CD1 3.79Å
32I98.4Very high89.2Confident6 Ų658.9 Ų58.93%0.03130%0.299CS..EExtended strand (participates in β ladder)trans-132140.1-177.3-51.3-178.7000109.6I11 K13 T14 F30 V42 S43 W45 I362I11-I32 HydrophobicContact CB-CG2 4.26Å; I11-I32 HydrophobicContact CD1-CG2 4.3Å; I11-I32 HydrophobicContact CG1-CG2 4.08Å; I11-I32 HydrophobicContact CG2-CG2 3.4Å; I11-I32 VanDerWaalsContact CG2-CG2 3.4Å; K13-I32 CarbonylContact O-C 3.59Å; K13-I32 VanDerWaalsContact O-CA 3.27Å; K13-I32 WeakPolarHBondContact O-CA 3.29Å; T14-I32 HydrophobicContact CG2-CG1 4.33Å; T14-I32 HydrophobicContact CG2-CG2 4.41Å; F30-I32 HydrophobicContact CD2-CD1 4.18Å; F30-I32 HydrophobicContact CD2-CG1 3.85Å; F30-I32 HydrophobicContact CE2-CD1 3.51Å; F30-I32 HydrophobicContact CE2-CG1 3.72Å; F30-I32 HydrophobicContact CZ-CD1 4.37Å; I32-V42 WeakPolarHBondContact O-CA 3.38Å; I32-S43 PolarHBondContact N-O 3.23Å; I32-S43 PolarHBondContact O-N 2.86Å; I32-W45 VanDerWaalsContact CD1-CD1 3.43Å; I32-W45 HydrophobicContact CD1-CD2 4.3Å; I32-W45 HydrophobicContact CD1-CG 4.04Å; I32-W45 VanDerWaalsContact CD1-NE1 3.34Å; I32-I362 HydrophobicContact CD1-CD1 3.21Å; I32-I362 HydrophobicContact CD1-CG1 3.79Å
33G98.6Very high91Very high0 Ų054.1 Ų54.10%027%0.266CS..EExtended strand (participates in β ladder)trans-112.7140164.900000110.9S12 K13S12-G33 PolarHBondContact N-O 3.49Å; S12-G33 PolarHBondContact OG-O 2.96Å; K13-G33 PolarHBondContact N-O 2.97Å; K13-G33 PolarHBondContact O-N 3.12Å
34S98.4Very high92.6Very high2 Ų252.2 Ų52.21%0.01425%0.253CS..EExtended strand (participates in β ladder)trans-101.7161.2175.778.20000112.7K10 N40 K41 V75K10-S34 VanDerWaalsContact O-CA 3.23Å; K10-S34 WeakPolarHBondContact O-CA 3.24Å; K10-S34 WeakPolarHBondContact O-CB 3.42Å; S34-N40 PolarHBondContact O-OD1 2.83Å; S34-N40 WeakPolarHBondContact OG-CA 3.46Å; S34-N40 WeakPolarHBondContact OG-CB 3.41Å; S34-N40 PolarHBondContact OG-OD1 2.9Å; S34-N40 VanDerWaalsContact OG-OD1 3.07Å; S34-K41 PolarHBondContact N-O 2.99Å; S34-K41 VanDerWaalsContact N-O 3.1Å; S34-K41 PolarHBondContact OG-N 2.84Å; S34-V75 WeakPolarHBondContact O-CB 3.21Å; S34-V75 PolarHBondContact O-N 2.87Å
35W98.5Very high94Very high80 Ų8044.5 Ų44.530%0.30321%0.211SC..  trans-148.4160.3175.777.2-59.4000112.3K10 N37 N40 D74 N344 D358K10-W35 WeakPolarHBondContact CB-O 3.25Å; K10-W35 PolarHBondContact O-N 3.26Å; K10-W35 VanDerWaalsContact O-N 3.13Å; W35-N37 VanDerWaalsContact C-ND2 3.33Å; W35-N37 PolarHBondContact N-ND2 2.98Å; W35-N37 PolarHBondContact O-N 2.8Å; W35-N37 PolarHBondContact O-ND2 2.62Å; W35-N40 WeakPolarHBondContact CA-OD1 3.43Å; W35-N40 PolarHBondContact N-OD1 3.44Å; W35-D74 HydrophobicContact CB-CB 3.94Å; W35-N344 PolarHBondContact NE1-ND2 2.83Å; W35-D358 VanDerWaalsContact CZ2-OD1 3.28Å; W35-D358 WeakPolarHBondContact CZ2-OD1 3.43Å; W35-D358 PolarHBondContact NE1-OD1 3.4Å
36D96.9Very high95Very high95 Ų9538 Ų3851%0.50818%0.182SC..SBendtrans5737.4177.2-167.843.5000112.9K10 D74K10-D36 HydrophobicContact CD-CB 4.21Å; K10-D36 IonicContact NZ-OD2 2.7Å; K10-D36 PolarHBondContact NZ-OD2 3.39Å; D36-D74 PolarHBondContact N-OD1 3.34Å
37N93.4Very high95.4Very high39 Ų3934 Ų3421%0.20916%0.163CC..SBendtrans-118.9158.8171.8-50.3-85.8000109.9K10 W35 E39 N40K10-N37 PolarHBondContact N-OD1 2.67Å; W35-N37 VanDerWaalsContact C-ND2 3.33Å; W35-N37 PolarHBondContact N-ND2 2.98Å; W35-N37 PolarHBondContact O-N 2.8Å; W35-N37 PolarHBondContact O-ND2 2.62Å; N37-E39 VanDerWaalsContact C-N 3.28Å; N37-E39 PolarHBondContact O-N 2.94Å; N37-N40 WeakPolarHBondContact CB-OD1 3.39Å; N37-N40 PolarHBondContact N-OD1 2.84Å; N37-N40 PolarHBondContact ND2-OD1 3.44Å
38E90.1Very high94.7Very high203 Ų20335.4 Ų35.495%0.94918%0.179SC*.SBendtrans-59.2-42172.6-64.9-174.6170.400111.6
39E94.4Very high93.1Very high122 Ų12238.8 Ų38.857%0.5720%0.197SC*.SBendtrans-125.7101176.7-66.5-178.9-179.700109.5Q9 N37Q9-E39 PolarHBondContact NE2-O 2.7Å; N37-E39 VanDerWaalsContact C-N 3.28Å; N37-E39 PolarHBondContact O-N 2.94Å
40N97.9Very high90.7Very high8 Ų844.3 Ų44.34%0.04323%0.226CC..EExtended strand (participates in β ladder)trans-77.6152.4176-73-47.2000111.4S34 W35 N37 H71 G73 D74S34-N40 PolarHBondContact O-OD1 2.83Å; S34-N40 WeakPolarHBondContact OG-CA 3.46Å; S34-N40 WeakPolarHBondContact OG-CB 3.41Å; S34-N40 PolarHBondContact OG-OD1 2.9Å; S34-N40 VanDerWaalsContact OG-OD1 3.07Å; W35-N40 WeakPolarHBondContact CA-OD1 3.43Å; W35-N40 PolarHBondContact N-OD1 3.44Å; N37-N40 WeakPolarHBondContact CB-OD1 3.39Å; N37-N40 PolarHBondContact N-OD1 2.84Å; N37-N40 PolarHBondContact ND2-OD1 3.44Å; N40-H71 PolarHBondContact O-N 2.83Å; N40-G73 WeakPolarHBondContact CB-O 3.2Å; N40-G73 PolarHBondContact ND2-O 2.94Å; N40-D74 WeakPolarHBondContact ND2-CA 3.42Å; N40-D74 PolarHBondContact ND2-N 2.81Å; N40-D74 PolarHBondContact ND2-OD1 2.83Å
41K98.1Very high88.1Confident46 Ų4647.6 Ų47.620%0.226%0.259CS..EExtended strand (participates in β ladder)trans-138153.8-175.8-60.7-177.1-173.7-179.10111.9S34 E68 Y69S34-K41 PolarHBondContact N-O 2.99Å; S34-K41 VanDerWaalsContact N-O 3.1Å; S34-K41 PolarHBondContact OG-N 2.84Å; K41-E68 HydrophobicContact CD-CB 4.4Å; K41-E68 HydrophobicContact CD-CG 4.45Å; K41-E68 VanDerWaalsContact CD-OE2 3.31Å; K41-E68 WeakPolarHBondContact CD-OE2 3.4Å; K41-E68 VanDerWaalsContact NZ-CD 3.29Å; K41-E68 IonicContact NZ-OE1 2.85Å; K41-E68 PolarHBondContact NZ-OE1 2.85Å; K41-E68 IonicContact NZ-OE2 2.81Å; K41-E68 PolarHBondContact NZ-OE2 3.23Å; K41-Y69 WeakPolarHBondContact CA-O 3.24Å
42V98.4Very high85.2Confident0 Ų052.2 Ų52.20%029%0.292CS..EExtended strand (participates in β ladder)trans-107126.8159.5178.90000107.1I32 E68 Y69 H71 V75 L78 T88 F98 L107I32-V42 WeakPolarHBondContact O-CA 3.38Å; V42-E68 CarbonylContact O-C 3.55Å; V42-E68 VanDerWaalsContact O-CA 3.3Å; V42-E68 WeakPolarHBondContact O-CA 3.47Å; V42-Y69 PolarHBondContact N-O 2.99Å; V42-Y69 PolarHBondContact O-N 2.72Å; V42-H71 HydrophobicContact CG2-CB 4.11Å; V42-V75 HydrophobicContact CG2-CG2 3.94Å; V42-L78 HydrophobicContact CG1-CD1 4.18Å; V42-T88 HydrophobicContact CG1-CG2 4.48Å; V42-T88 HydrophobicContact CG2-CG2 3.8Å; V42-F98 HydrophobicContact CG2-CE2 4.02Å; V42-F98 HydrophobicContact CG2-CZ 4.35Å; V42-L107 HydrophobicContact CG1-CD1 4.45Å; V42-L107 WeakPolarHBondContact O-CD1 3.11Å
43S98.1Very high82.6Confident6 Ų658 Ų584%0.04233%0.333CS..EExtended strand (participates in β ladder)trans-131.3150.5-176.6530000112A31 I32 W45 C67A31-S43 CarbonylContact C-O 3.55Å; A31-S43 VanDerWaalsContact CA-O 3.23Å; A31-S43 WeakPolarHBondContact CA-O 3.25Å; I32-S43 PolarHBondContact N-O 3.23Å; I32-S43 PolarHBondContact O-N 2.86Å; S43-W45 PolarHBondContact OG-NE1 2.73Å; S43-C67 CarbonylContact C-O 3.44Å; S43-C67 WeakPolarHBondContact CA-O 3.34Å
44V97.9Very high79.7Confident0 Ų060.2 Ų60.20%036%0.356CS..EExtended strand (participates in β ladder)trans-116.2135.3176177.70000108.4I29 F30 A31 I66 C67 I86 L107I29-V44 HydrophobicContact CG2-CG1 3.51Å; F30-V44 WeakPolarHBondContact O-CA 3.45Å; A31-V44 HydrophobicContact CB-CG2 4.39Å; V44-I66 HydrophobicContact CG1-CB 4.42Å; V44-I66 HydrophobicContact CG1-CD1 3.96Å; V44-I66 WeakPolarHBondContact O-CB 3.23Å; V44-I66 PolarHBondContact O-N 3.36Å; V44-C67 PolarHBondContact N-O 2.93Å; V44-C67 PolarHBondContact O-N 3.48Å; V44-I86 HydrophobicContact CG2-CD1 3.91Å; V44-L107 HydrophobicContact CG2-CD1 4.07Å; V44-L107 HydrophobicContact CG2-CD2 4.07Å; V44-L107 HydrophobicContact CG2-CG 4.24Å
45W96.6Very high77.2Confident24 Ų2468.9 Ų68.99%0.09140%0.401CS..EExtended strand (participates in β ladder)trans-130151-172.5-63.475.8000110.4V7 I29 F30 I32 S43 P63 Q64 L65 I362V7-W45 HydrophobicContact CB-CH2 4.08Å; V7-W45 HydrophobicContact CB-CZ2 4.19Å; V7-W45 HydrophobicContact CG1-CH2 3.39Å; V7-W45 HydrophobicContact CG1-CZ2 3.77Å; V7-W45 HydrophobicContact CG1-CZ3 4.02Å; I29-W45 VanDerWaalsContact CA-O 3.25Å; I29-W45 WeakPolarHBondContact CA-O 3.25Å; F30-W45 HydrophobicContact CD1-CB 3.94Å; F30-W45 HydrophobicContact CD2-CB 4.33Å; F30-W45 HydrophobicContact CE1-CB 3.4Å; F30-W45 HydrophobicContact CE1-CG 4.41Å; F30-W45 HydrophobicContact CE2-CB 3.92Å; F30-W45 HydrophobicContact CE2-CG 4.2Å; F30-W45 HydrophobicContact CG-CB 4.36Å; F30-W45 HydrophobicContact CZ-CB 3.42Å; F30-W45 VanDerWaalsContact CZ-CB 3.42Å; F30-W45 AromaticContact CZ-CG 3.97Å; F30-W45 HydrophobicContact CZ-CG 3.97Å; F30-W45 PolarHBondContact N-O 3.32Å; F30-W45 PolarHBondContact O-N 3.07Å; I32-W45 VanDerWaalsContact CD1-CD1 3.43Å; I32-W45 HydrophobicContact CD1-CD2 4.3Å; I32-W45 HydrophobicContact CD1-CG 4.04Å; I32-W45 VanDerWaalsContact CD1-NE1 3.34Å; S43-W45 PolarHBondContact OG-NE1 2.73Å; W45-P63 HydrophobicContact CE3-CB 4.16Å; W45-Q64 CarbonylContact C-O 3.54Å; W45-Q64 VanDerWaalsContact CA-O 3.24Å; W45-Q64 WeakPolarHBondContact CA-O 3.22Å; W45-Q64 VanDerWaalsContact CE3-C 3.42Å; W45-L65 HydrophobicContact CD2-CB 4.28Å; W45-L65 HydrophobicContact CD2-CD1 4.19Å; W45-L65 HydrophobicContact CE3-CB 4.01Å; W45-L65 VanDerWaalsContact CE3-N 3.29Å; W45-L65 HydrophobicContact CH2-CB 3.85Å; W45-L65 HydrophobicContact CH2-CD1 4.35Å; W45-L65 HydrophobicContact CZ2-CB 4.15Å; W45-L65 HydrophobicContact CZ2-CD1 3.77Å; W45-L65 HydrophobicContact CZ2-CG 4.43Å; W45-L65 HydrophobicContact CZ3-CB 3.78Å; W45-I362 HydrophobicContact CD2-CD1 4.38Å; W45-I362 HydrophobicContact CE3-CD1 4.5Å
46S93.3Very high74.7Confident12 Ų1273.5 Ų73.58%0.08443%0.426CS..EExtended strand (participates in β ladder)trans-123.9145.3177175.60000111.7D28 Q64D28-S46 CarbonylContact O-C 3.6Å; D28-S46 VanDerWaalsContact O-CA 3.29Å; D28-S46 WeakPolarHBondContact O-CA 3.46Å; S46-Q64 PolarHBondContact N-O 3.41Å; S46-Q64 PolarHBondContact O-N 2.9Å
47I88Confident72.1Confident0 Ų076.9 Ų76.90%044%0.444CS..  trans-127.480.2177-44.1-168.5000107.5W16 D28 F30 G61 P63 V364W16-I47 HydrophobicContact CH2-CD1 3.68Å; W16-I47 HydrophobicContact CH2-CG1 4.43Å; W16-I47 HydrophobicContact CZ3-CD1 4.34Å; D28-I47 PolarHBondContact O-N 2.88Å; F30-I47 HydrophobicContact CD1-CD1 4.01Å; F30-I47 HydrophobicContact CD1-CG1 4Å; F30-I47 HydrophobicContact CE1-CD1 3.48Å; F30-I47 VanDerWaalsContact CE1-CD1 3.48Å; F30-I47 HydrophobicContact CE1-CG1 3.47Å; F30-I47 VanDerWaalsContact CE1-CG1 3.47Å; F30-I47 HydrophobicContact CZ-CD1 4.29Å; I47-G61 VanDerWaalsContact CG2-O 3.25Å; I47-G61 WeakPolarHBondContact CG2-O 3.45Å; I47-P63 HydrophobicContact CD1-CG 4.07Å; I47-P63 HydrophobicContact CG1-CB 4.36Å; I47-P63 HydrophobicContact CG1-CG 4.34Å; I47-V364 HydrophobicContact CD1-CB 3.88Å; I47-V364 HydrophobicContact CD1-CG1 3.28Å; I47-V364 HydrophobicContact CD1-CG2 3.48Å; I47-V364 VanDerWaalsContact CD1-CG2 3.48Å
48G71.3Confident69.8Low35 Ų3577.5 Ų77.536%0.36146%0.46SS..SBendtrans-166.6158-175.600000112.8L50G48-L50 PolarHBondContact O-N 3.4Å
49N56.9Low67.9Low124 Ų12476.3 Ų76.366%0.66345%0.452SS*.  trans-65.972.2176.6-78.6-24.5000110.9G51N49-G51 VanDerWaalsContact C-N 3.27Å; N49-G51 PolarHBondContact O-N 3.31Å
50L44.8Very low66.1Low129 Ų12978.5 Ų78.568%0.67546%0.462SS*.  trans-64.198.8156.6-80.5157.7000105.4G48 S52G48-L50 PolarHBondContact O-N 3.4Å; L50-S52 PolarHBondContact O-N 3.12Å
51G41.3Very low64.6Low68 Ų6879.6 Ų79.670%0.70148%0.475SS*.  trans-40.896.7-167.100000114.1N49 S53N49-G51 VanDerWaalsContact C-N 3.27Å; N49-G51 PolarHBondContact O-N 3.31Å; G51-S53 PolarHBondContact O-N 3.18Å
52S39.1Very low63.9Low98 Ų9879 Ų7969%0.68547%0.474SS*.  trans-81.271.3171.248.40000108.9L50 G54L50-S52 PolarHBondContact O-N 3.12Å; S52-G54 PolarHBondContact O-N 3.43Å; S52-G54 VanDerWaalsContact O-N 3.09Å
53S42.3Very low63.6Low127 Ų12779.3 Ų79.389%0.88848%0.476SS*.  trans-73.774.7144.161.90000107.6G51G51-S53 PolarHBondContact O-N 3.18Å
54G38.1Very low63.3Low47 Ų4783.2 Ų83.249%0.48549%0.494SS..SBendtrans166.388-179.500000114.1S52 E56S52-G54 PolarHBondContact O-N 3.43Å; S52-G54 VanDerWaalsContact O-N 3.09Å; G54-E56 PolarHBondContact O-N 2.83Å
55L45.8Very low63.2Low183 Ų18386.9 Ų86.996%0.95851%0.513SS*.  trans27.550.3141.8-65.3167.8000119.6
56E45.8Very low63.2Low178 Ų17887.5 Ų87.583%0.83252%0.517SS*.  trans-139139.6157.9-72.1-164.3167.800110.9G54 G58G54-E56 PolarHBondContact O-N 2.83Å; E56-G58 PolarHBondContact O-N 3.39Å
57D42.3Very low63.4Low166 Ų16687.7 Ų87.789%0.88852%0.518SS*.  trans-67.929-165.1-122.6-3.1000115.1F59D57-F59 PolarHBondContact O-N 2.84Å
58G45.8Very low63.8Low52 Ų5291.8 Ų91.854%0.53654%0.538SS..PPolyproline II helixtrans-75.2119-178.700000112E56E56-G58 PolarHBondContact O-N 3.39Å
59F49.9Very low65.1Low178 Ų17894.4 Ų94.478%0.78154%0.537SS*.PPolyproline II helixtrans-63.9142.7170.9-69.9-88.2000110.6D57 G61 D62D57-F59 PolarHBondContact O-N 2.84Å; F59-G61 PolarHBondContact O-N 2.9Å; F59-D62 WeakPolarHBondContact O-CB 3.34Å; F59-D62 PolarHBondContact O-N 2.98Å; F59-D62 VanDerWaalsContact O-N 3.12Å
60E56.6Low67.1Low168 Ų16894.8 Ų94.879%0.78554%0.535SS*.THydrogen-bonded Turntrans-55.6120.5176.1-170172-166.400110.2
61G66.1Low69.6Low31 Ų3189 Ų8932%0.3250%0.504SS..THydrogen-bonded Turntrans92.410-178.200000116.3I47 F59I47-G61 VanDerWaalsContact CG2-O 3.25Å; I47-G61 WeakPolarHBondContact CG2-O 3.45Å; F59-G61 PolarHBondContact O-N 2.9Å
62D83.5Confident72.2Confident34 Ų3494.6 Ų94.618%0.18251%0.506CS..  trans-72.9127.7170.9-171.540.4000111.7K5 F59 Q64K5-D62 WeakPolarHBondContact CD-OD1 3.3Å; K5-D62 IonicContact NZ-OD1 3.57Å; K5-D62 IonicContact NZ-OD2 3.78Å; K5-D62 PolarHBondContact NZ-OD2 2.89Å; F59-D62 WeakPolarHBondContact O-CB 3.34Å; F59-D62 PolarHBondContact O-N 2.98Å; F59-D62 VanDerWaalsContact O-N 3.12Å; D62-Q64 PolarHBondContact O-N 2.83Å; D62-Q64 PolarHBondContact O-NE2 2.79Å; D62-Q64 PolarHBondContact OD2-NE2 2.79Å
63P91.5Very high75Confident6 Ų690.8 Ų90.84%0.03948%0.482CS..  trans-60.7130.2178.1-23.833.7000113.4K5 F30 W45 I47 V364K5-P63 HydrophobicContact CB-CG 4.23Å; K5-P63 WeakPolarHBondContact CE-O 3.31Å; K5-P63 HydrophobicContact CG-CB 4.43Å; F30-P63 HydrophobicContact CE1-CB 4.23Å; F30-P63 HydrophobicContact CZ-CB 4.01Å; F30-P63 HydrophobicContact CZ-CG 4.42Å; W45-P63 HydrophobicContact CE3-CB 4.16Å; I47-P63 HydrophobicContact CD1-CG 4.07Å; I47-P63 HydrophobicContact CG1-CB 4.36Å; I47-P63 HydrophobicContact CG1-CG 4.34Å; P63-V364 HydrophobicContact CG-CG2 3.9Å
64Q93.2Very high77.7Confident88 Ų8886.8 Ų86.841%0.41145%0.451SS..EExtended strand (participates in β ladder)trans-114.6133.6177.4-59.7-56.3-42.600111W45 S46 D62 I66W45-Q64 CarbonylContact C-O 3.54Å; W45-Q64 VanDerWaalsContact CA-O 3.24Å; W45-Q64 WeakPolarHBondContact CA-O 3.22Å; W45-Q64 VanDerWaalsContact CE3-C 3.42Å; S46-Q64 PolarHBondContact N-O 3.41Å; S46-Q64 PolarHBondContact O-N 2.9Å; D62-Q64 PolarHBondContact O-N 2.83Å; D62-Q64 PolarHBondContact O-NE2 2.79Å; D62-Q64 PolarHBondContact OD2-NE2 2.79Å; Q64-I66 PolarHBondContact O-N 2.81Å
65L95.5Very high80.5Confident77 Ų7784.5 Ų84.540%0.40343%0.428SS..EExtended strand (participates in β ladder)trans-68.9126.6175178.665.2000109.4W45 E68W45-L65 HydrophobicContact CD2-CB 4.28Å; W45-L65 HydrophobicContact CD2-CD1 4.19Å; W45-L65 HydrophobicContact CE3-CB 4.01Å; W45-L65 VanDerWaalsContact CE3-N 3.29Å; W45-L65 HydrophobicContact CH2-CB 3.85Å; W45-L65 HydrophobicContact CH2-CD1 4.35Å; W45-L65 HydrophobicContact CZ2-CB 4.15Å; W45-L65 HydrophobicContact CZ2-CD1 3.77Å; W45-L65 HydrophobicContact CZ2-CG 4.43Å; W45-L65 HydrophobicContact CZ3-CB 3.78Å; L65-E68 HydrophobicContact CD1-CB 4.44Å
66I96.1Very high83.1Confident37 Ų3778.2 Ų78.219%0.1939%0.394CS..EExtended strand (participates in β ladder)trans-89.3-57.7172.8-70.1169.5000109.7I29 V44 Q64 Q105I29-I66 HydrophobicContact CD1-CD1 3.64Å; I29-I66 HydrophobicContact CG1-CD1 4.23Å; V44-I66 HydrophobicContact CG1-CB 4.42Å; V44-I66 HydrophobicContact CG1-CD1 3.96Å; V44-I66 WeakPolarHBondContact O-CB 3.23Å; V44-I66 PolarHBondContact O-N 3.36Å; Q64-I66 PolarHBondContact O-N 2.81Å; I66-Q105 HydrophobicContact CG2-CB 3.77Å; I66-Q105 HydrophobicContact CG2-CG 4.31Å
67C96.8Very high85.6Confident15 Ų1570.5 Ų70.510%0.10136%0.359CS..EExtended strand (participates in β ladder)trans-159.5159.7-177.659.50000110.8S43 V44 Q105S43-C67 CarbonylContact C-O 3.44Å; S43-C67 WeakPolarHBondContact CA-O 3.34Å; V44-C67 PolarHBondContact N-O 2.93Å; V44-C67 PolarHBondContact O-N 3.48Å; C67-Q105 WeakPolarHBondContact CB-O 3.27Å
68E97.5Very high88.3Confident87 Ų8762.6 Ų62.641%0.40732%0.317SS..EExtended strand (participates in β ladder)trans-140.8158.6178.856.8175.4-147.500110.4K41 V42 L65K41-E68 HydrophobicContact CD-CB 4.4Å; K41-E68 HydrophobicContact CD-CG 4.45Å; K41-E68 VanDerWaalsContact CD-OE2 3.31Å; K41-E68 WeakPolarHBondContact CD-OE2 3.4Å; K41-E68 VanDerWaalsContact NZ-CD 3.29Å; K41-E68 IonicContact NZ-OE1 2.85Å; K41-E68 PolarHBondContact NZ-OE1 2.85Å; K41-E68 IonicContact NZ-OE2 2.81Å; K41-E68 PolarHBondContact NZ-OE2 3.23Å; V42-E68 CarbonylContact O-C 3.55Å; V42-E68 VanDerWaalsContact O-CA 3.3Å; V42-E68 WeakPolarHBondContact O-CA 3.47Å; L65-E68 HydrophobicContact CD1-CB 4.44Å
69Y98.3Very high90.8Very high89 Ų8962.5 Ų62.535%0.34930%0.302SS..EExtended strand (participates in β ladder)trans-141.3137176.3-166.1-78.5000109.3K41 V42 H71 F98 I109K41-Y69 WeakPolarHBondContact CA-O 3.24Å; V42-Y69 PolarHBondContact N-O 2.99Å; V42-Y69 PolarHBondContact O-N 2.72Å; Y69-H71 PolarHBondContact O-N 2.86Å; Y69-F98 HydrophobicContact CD1-CD1 4.39Å; Y69-F98 AromaticContact CD1-CE1 3.48Å; Y69-F98 HydrophobicContact CD1-CE1 3.48Å; Y69-F98 VanDerWaalsContact CD1-CE1 3.48Å; Y69-F98 HydrophobicContact CD1-CZ 4.21Å; Y69-F98 AromaticContact CE1-CE1 3.97Å; Y69-F98 HydrophobicContact CE1-CE1 3.97Å; Y69-F98 HydrophobicContact CG-CD1 4.41Å; Y69-F98 AromaticContact CG-CE1 3.9Å; Y69-F98 HydrophobicContact CG-CE1 3.9Å; Y69-I109 HydrophobicContact CE1-CD1 3.71Å; Y69-I109 HydrophobicContact CE1-CG1 3.99Å; Y69-I109 WeakPolarHBondContact OH-CD1 3.43Å
70E97.9Very high93Very high132 Ų13255.1 Ų55.162%0.61727%0.27SS*.EExtended strand (participates in β ladder)trans-65.9127.2178.7-169.2-171.5160.400111.2
71H98.1Very high94.9Very high8 Ų847.7 Ų47.74%0.03724%0.236CC..EExtended strand (participates in β ladder)trans-113.1121.3-177.2-172.7-86000110.4N40 V42 Y69 G73 V75 T88N40-H71 PolarHBondContact O-N 2.83Å; V42-H71 HydrophobicContact CG2-CB 4.11Å; Y69-H71 PolarHBondContact O-N 2.86Å; H71-G73 PolarHBondContact ND1-O 2.84Å; H71-G73 PolarHBondContact O-N 2.73Å; H71-V75 HydrophobicContact CB-CG2 4.12Å; H71-T88 PolarHBondContact NE2-OG1 2.93Å; H71-T88 VanDerWaalsContact NE2-OG1 3.08Å
72Y96.4Very high96.3Very high185 Ų18548.2 Ų48.273%0.72523%0.231SC*.SBendtrans-77.4118.7179.8-169.5-116.2000111.1S90 T92Y72-S90 PolarHBondContact O-OG 3.13Å; Y72-T92 HydrophobicContact CD1-CG2 3.69Å; Y72-T92 HydrophobicContact CE1-CG2 3.79Å
73G96.9Very high96.7Very high19 Ų1950.8 Ų50.820%0.19624%0.242CC..SBendtrans77.6174.2-169.300000112.9N40 H71N40-G73 WeakPolarHBondContact CB-O 3.2Å; N40-G73 PolarHBondContact ND2-O 2.94Å; H71-G73 PolarHBondContact ND1-O 2.84Å; H71-G73 PolarHBondContact O-N 2.73Å
74D98.5Very high96.9Very high42 Ų4255.3 Ų55.323%0.22526%0.263CS..  trans-68.2141.7179.6-51.9-61000110.9W35 D36 N40 L76 S90 S91W35-D74 HydrophobicContact CB-CB 3.94Å; D36-D74 PolarHBondContact N-OD1 3.34Å; N40-D74 WeakPolarHBondContact ND2-CA 3.42Å; N40-D74 PolarHBondContact ND2-N 2.81Å; N40-D74 PolarHBondContact ND2-OD1 2.83Å; D74-L76 HydrophobicContact CB-CD2 3.97Å; D74-L76 PolarHBondContact O-N 3.13Å; D74-S90 VanDerWaalsContact O-CA 3.26Å; D74-S90 WeakPolarHBondContact O-CA 3.32Å; D74-S91 PolarHBondContact N-OG 2.83Å; D74-S91 PolarHBondContact O-N 3.26Å; D74-S91 VanDerWaalsContact O-N 3.1Å; D74-S91 PolarHBondContact OD2-OG 3.03Å
75V98.7Very high97.1Very high0 Ų054 Ų540%025%0.254CS..EExtended strand (participates in β ladder)trans-79103.1169.3-1760000107.6S12 S34 V42 H71 L78 T88S12-V75 WeakPolarHBondContact CB-O 3.19Å; S12-V75 PolarHBondContact OG-O 3.27Å; S34-V75 WeakPolarHBondContact O-CB 3.21Å; S34-V75 PolarHBondContact O-N 2.87Å; V42-V75 HydrophobicContact CG2-CG2 3.94Å; H71-V75 HydrophobicContact CB-CG2 4.12Å; V75-L78 HydrophobicContact CG1-CB 4.25Å; V75-L78 HydrophobicContact CG1-CD1 4.43Å; V75-T88 HydrophobicContact CG1-CG2 4.3Å
76L98.6Very high97.2Very high50 Ų5050.3 Ų50.326%0.26224%0.235SC..EExtended strand (participates in β ladder)trans-86-34.5-175.7-64.8-174.6000113K13 D74 V89 P125 S126K13-L76 VanDerWaalsContact CE-O 3.23Å; K13-L76 WeakPolarHBondContact CE-O 3.46Å; D74-L76 HydrophobicContact CB-CD2 3.97Å; D74-L76 PolarHBondContact O-N 3.13Å; L76-V89 HydrophobicContact CB-CG2 4.4Å; L76-V89 PolarHBondContact N-O 2.98Å; L76-P125 HydrophobicContact CD1-CB 3.69Å; L76-S126 WeakPolarHBondContact CB-O 3.33Å; L76-S126 WeakPolarHBondContact CD1-O 3.44Å
77D98.8Very high97.3Very high16 Ų1648.5 Ų48.59%0.08623%0.226CC..EExtended strand (participates in β ladder)trans-147.4153.2170.5-165.315.3000110.5K13 R15 T88 V89 G128 V129K13-D77 WeakPolarHBondContact CD-OD1 3.45Å; K13-D77 WeakPolarHBondContact CE-OD1 3.49Å; R15-D77 IonicContact NH2-OD1 3.6Å; D77-T88 WeakPolarHBondContact O-CA 3.41Å; D77-V89 HydrophobicContact CB-CG2 3.47Å; D77-V89 VanDerWaalsContact CB-CG2 3.47Å; D77-V89 PolarHBondContact O-N 3.49Å; D77-G128 WeakPolarHBondContact OD2-CA 3.14Å; D77-V129 HydrophobicContact CB-CG1 4.05Å; D77-V129 WeakPolarHBondContact OD2-CG1 3.34Å; D77-V129 PolarHBondContact OD2-N 2.87Å
78L98.6Very high97.4Very high0 Ų047.8 Ų47.80%022%0.221CC..EExtended strand (participates in β ladder)trans-146.7130.2-175.3-176.3153.6000109.3K13 R15 A31 V42 V75 I86 V87 T88K13-L78 HydrophobicContact CB-CB 3.77Å; K13-L78 HydrophobicContact CG-CB 4.22Å; R15-L78 HydrophobicContact CB-CD2 3.85Å; R15-L78 HydrophobicContact CG-CD2 3.62Å; R15-L78 WeakPolarHBondContact CG-O 3.48Å; R15-L78 PolarHBondContact NE-O 2.72Å; R15-L78 VanDerWaalsContact NE-O 3.11Å; A31-L78 HydrophobicContact CB-CD2 4.17Å; V42-L78 HydrophobicContact CG1-CD1 4.18Å; V75-L78 HydrophobicContact CG1-CB 4.25Å; V75-L78 HydrophobicContact CG1-CD1 4.43Å; L78-I86 HydrophobicContact CD1-CG2 4.06Å; L78-I86 HydrophobicContact CD2-CG2 3.93Å; L78-I86 HydrophobicContact CG-CG2 3.77Å; L78-V87 WeakPolarHBondContact CA-O 3.36Å; L78-T88 HydrophobicContact CB-CG2 4.41Å; L78-T88 HydrophobicContact CD1-CG2 3.9Å; L78-T88 HydrophobicContact CG-CG2 4.03Å
79Q98.3Very high97.5Very high50 Ų5043.7 Ų43.723%0.23420%0.201CC..EExtended strand (participates in β ladder)trans-141.9146.7172.8-69.9-162.84.900111.8V87 V129 C131Q79-V87 PolarHBondContact N-O 3.44Å; Q79-V87 PolarHBondContact O-N 2.77Å; Q79-V129 HydrophobicContact CB-CG1 4.38Å; Q79-V129 HydrophobicContact CG-CG1 4.19Å; Q79-V129 PolarHBondContact NE2-O 3.32Å; Q79-C131 VanDerWaalsContact OE1-N 3.17Å
80F97.7Very high97.5Very high23 Ų2339.5 Ų39.510%0.10119%0.185CC..EExtended strand (participates in β ladder)trans-75.6129.8165.8-81.2-88.6000109.9R15 W16 R17 P18 A31 D82 I86R15-F80 HydrophobicContact CB-CD2 3.93Å; R15-F80 HydrophobicContact CB-CE2 4.16Å; R15-F80 WeakPolarHBondContact O-CE2 3.49Å; W16-F80 VanDerWaalsContact O-CD2 3.24Å; W16-F80 WeakPolarHBondContact O-CD2 3.39Å; R17-F80 HydrophobicContact CB-CE1 3.94Å; R17-F80 HydrophobicContact CB-CE2 4.22Å; R17-F80 HydrophobicContact CB-CZ 3.77Å; R17-F80 HydrophobicContact CG-CD1 4.3Å; R17-F80 HydrophobicContact CG-CE1 3.89Å; R17-F80 HydrophobicContact CG-CZ 4.26Å; P18-F80 HydrophobicContact CG-CB 3.91Å; A31-F80 HydrophobicContact CB-CE2 3.65Å; A31-F80 HydrophobicContact CB-CZ 3.64Å; F80-D82 VanDerWaalsContact CD1-O 3.25Å; F80-D82 WeakPolarHBondContact CD1-O 3.38Å; F80-I86 HydrophobicContact CD1-CG1 3.65Å; F80-I86 HydrophobicContact CE1-CD1 3.81Å; F80-I86 HydrophobicContact CE1-CG1 3.38Å; F80-I86 HydrophobicContact CE2-CG1 4.44Å; F80-I86 HydrophobicContact CG-CG1 4.34Å; F80-I86 HydrophobicContact CZ-CD1 3.91Å; F80-I86 HydrophobicContact CZ-CG1 3.82Å
81L96.5Very high97.5Very high13 Ų1334.8 Ų34.87%0.06817%0.167CC..SBendtrans-82.2-34.8170177.769.7000111.1R85 V87 C131 I136 V150L81-R85 HydrophobicContact CB-CB 4.18Å; L81-R85 HydrophobicContact CD2-CB 4.15Å; L81-R85 PolarHBondContact N-O 3.18Å; L81-V87 HydrophobicContact CB-CG2 3.99Å; L81-C131 HydrophobicContact CD1-CB 4.02Å; L81-I136 HydrophobicContact CD1-CD1 4.5Å; L81-I136 HydrophobicContact CD1-CG1 4.02Å; L81-I136 HydrophobicContact CD2-CD1 4.48Å; L81-V150 HydrophobicContact CD1-CG2 4.44Å; L81-V150 HydrophobicContact CD2-CB 4.47Å; L81-V150 HydrophobicContact CD2-CG1 4.49Å; L81-V150 HydrophobicContact CD2-CG2 3.31Å; L81-V150 HydrophobicContact CG-CG2 4.48Å
82D94.1Very high97.4Very high42 Ų4235.4 Ų35.423%0.22517%0.171CC..SBendtrans-161.7-161.9175.154.254.3000109.4F80 E84 R85F80-D82 VanDerWaalsContact CD1-O 3.25Å; F80-D82 WeakPolarHBondContact CD1-O 3.38Å; D82-E84 VanDerWaalsContact C-N 3.27Å; D82-E84 PolarHBondContact O-N 3.25Å; D82-E84 PolarHBondContact OD1-N 3.15Å; D82-R85 PolarHBondContact OD1-N 3.34Å; D82-R85 IonicContact OD1-NE 2.62Å; D82-R85 IonicContact OD2-CZ 3.11Å; D82-R85 IonicContact OD2-NE 3.04Å; D82-R85 PolarHBondContact OD2-NE 3.08Å; D82-R85 IonicContact OD2-NH2 3.31Å; D82-R85 PolarHBondContact OD2-NH2 3.44Å
83Q93.2Very high97.5Very high87 Ų8726.6 Ų26.641%0.40714%0.137SC..SBendtrans-71.2-17.3-176.3-61.2-172.3-10.300114.6R17 P18R17-Q83 VanDerWaalsContact CD-O 3.24Å; R17-Q83 WeakPolarHBondContact CD-O 3.47Å; P18-Q83 WeakPolarHBondContact O-CG 3.28Å
84E94.1Very high97.5Very high102 Ų10225.8 Ų25.848%0.47713%0.128SC..SBendtrans-117.4-26.2-174.9-64.3-178-175.200112.5D82 R99 H100D82-E84 VanDerWaalsContact C-N 3.27Å; D82-E84 PolarHBondContact O-N 3.25Å; D82-E84 PolarHBondContact OD1-N 3.15Å; E84-R99 CarbonylContact O-C 3.57Å; E84-R99 WeakPolarHBondContact O-CA 3.34Å; E84-H100 PolarHBondContact O-N 2.9Å
85R97.4Very high97.5Very high59 Ų5923.8 Ų23.822%0.22312%0.118CC..EExtended strand (participates in β ladder)trans-108.1128-171.9-63.6-178.6-66-174.75.2112L81 D82 I97 F98L81-R85 HydrophobicContact CB-CB 4.18Å; L81-R85 HydrophobicContact CD2-CB 4.15Å; L81-R85 PolarHBondContact N-O 3.18Å; D82-R85 PolarHBondContact OD1-N 3.34Å; D82-R85 IonicContact OD1-NE 2.62Å; D82-R85 IonicContact OD2-CZ 3.11Å; D82-R85 IonicContact OD2-NE 3.04Å; D82-R85 PolarHBondContact OD2-NE 3.08Å; D82-R85 IonicContact OD2-NH2 3.31Å; D82-R85 PolarHBondContact OD2-NH2 3.44Å; R85-I97 HydrophobicContact CB-CG2 4.19Å; R85-I97 HydrophobicContact CG-CG2 4.49Å; R85-F98 CarbonylContact C-O 3.59Å; R85-F98 VanDerWaalsContact CA-O 3.26Å; R85-F98 WeakPolarHBondContact CA-O 3.37Å
86I98.4Very high97.5Very high0 Ų024 Ų240%012%0.119CC..EExtended strand (participates in β ladder)trans-113.8132.4177-59.3161.5000107.8A31 V44 L78 F80 T88 I97 F98 L107A31-I86 HydrophobicContact CB-CD1 3.79Å; V44-I86 HydrophobicContact CG2-CD1 3.91Å; L78-I86 HydrophobicContact CD1-CG2 4.06Å; L78-I86 HydrophobicContact CD2-CG2 3.93Å; L78-I86 HydrophobicContact CG-CG2 3.77Å; F80-I86 HydrophobicContact CD1-CG1 3.65Å; F80-I86 HydrophobicContact CE1-CD1 3.81Å; F80-I86 HydrophobicContact CE1-CG1 3.38Å; F80-I86 HydrophobicContact CE2-CG1 4.44Å; F80-I86 HydrophobicContact CG-CG1 4.34Å; F80-I86 HydrophobicContact CZ-CD1 3.91Å; F80-I86 HydrophobicContact CZ-CG1 3.82Å; I86-T88 HydrophobicContact CG2-CG2 4.24Å; I86-I97 CarbonylContact O-C 3.58Å; I86-I97 WeakPolarHBondContact O-CA 3.38Å; I86-F98 HydrophobicContact CB-CB 4.42Å; I86-F98 PolarHBondContact N-O 2.84Å; I86-F98 PolarHBondContact O-N 3.08Å; I86-L107 HydrophobicContact CD1-CD2 4.25Å
87V98.7Very high97.5Very high0 Ų021.7 Ų21.70%011%0.107CC..EExtended strand (participates in β ladder)trans-106.6129.6175.2-171.50000108.5L78 Q79 L81 V95 T96 I97 V129 I136L78-V87 WeakPolarHBondContact CA-O 3.36Å; Q79-V87 PolarHBondContact N-O 3.44Å; Q79-V87 PolarHBondContact O-N 2.77Å; L81-V87 HydrophobicContact CB-CG2 3.99Å; V87-V95 HydrophobicContact CG1-CG1 4.13Å; V87-T96 WeakPolarHBondContact CA-O 3.4Å; V87-I97 HydrophobicContact CG2-CG1 4.32Å; V87-V129 HydrophobicContact CB-CG2 4.45Å; V87-V129 HydrophobicContact CG1-CG2 3.87Å; V87-I136 HydrophobicContact CG1-CD1 4.33Å; V87-I136 HydrophobicContact CG1-CG2 4.07Å; V87-I136 HydrophobicContact CG2-CD1 3.72Å; V87-I136 HydrophobicContact CG2-CG1 4.28Å
88T98.8Very high97.4Very high0 Ų021.1 Ų21.10%010%0.103CC..EExtended strand (participates in β ladder)trans-122.7152.9172.6710000111.3V42 H71 V75 D77 L78 I86 V95 T96 F98V42-T88 HydrophobicContact CG1-CG2 4.48Å; V42-T88 HydrophobicContact CG2-CG2 3.8Å; H71-T88 PolarHBondContact NE2-OG1 2.93Å; H71-T88 VanDerWaalsContact NE2-OG1 3.08Å; V75-T88 HydrophobicContact CG1-CG2 4.3Å; D77-T88 WeakPolarHBondContact O-CA 3.41Å; L78-T88 HydrophobicContact CB-CG2 4.41Å; L78-T88 HydrophobicContact CD1-CG2 3.9Å; L78-T88 HydrophobicContact CG-CG2 4.03Å; I86-T88 HydrophobicContact CG2-CG2 4.24Å; T88-V95 WeakPolarHBondContact O-CA 3.33Å; T88-T96 PolarHBondContact N-O 3.11Å; T88-T96 PolarHBondContact O-N 3.39Å; T88-F98 HydrophobicContact CG2-CD2 4.11Å; T88-F98 HydrophobicContact CG2-CE2 4.03Å; T88-F98 WeakPolarHBondContact OG1-CE2 3.27Å
89V98.7Very high97.4Very high0 Ų026.6 Ų26.60%012%0.124CC..EExtended strand (participates in β ladder)trans-122.8141.9171.1-61.70000110.1L76 D77 A94 V95 S126 V129 T138L76-V89 HydrophobicContact CB-CG2 4.4Å; L76-V89 PolarHBondContact N-O 2.98Å; D77-V89 HydrophobicContact CB-CG2 3.47Å; D77-V89 VanDerWaalsContact CB-CG2 3.47Å; D77-V89 PolarHBondContact O-N 3.49Å; V89-A94 WeakPolarHBondContact CA-O 3.29Å; V89-V95 HydrophobicContact CG1-CG1 4.41Å; V89-V95 HydrophobicContact CG1-CG2 4.12Å; V89-S126 WeakPolarHBondContact CB-OG 3.39Å; V89-S126 WeakPolarHBondContact CG1-OG 3.23Å; V89-S126 VanDerWaalsContact CG2-O 3.3Å; V89-S126 WeakPolarHBondContact CG2-O 3.34Å; V89-V129 HydrophobicContact CG1-CB 3.8Å; V89-V129 HydrophobicContact CG1-CG1 4.2Å; V89-V129 HydrophobicContact CG2-CG1 4.48Å; V89-T138 HydrophobicContact CG1-CG2 3.93Å
90S98.4Very high97.3Very high1 Ų124.3 Ų24.31%0.00711%0.113CC..EExtended strand (participates in β ladder)trans-113.8153.7-168.2175.90000112.9Y72 D74 T92 G93 A94 S126Y72-S90 PolarHBondContact O-OG 3.13Å; D74-S90 VanDerWaalsContact O-CA 3.26Å; D74-S90 WeakPolarHBondContact O-CA 3.32Å; S90-T92 WeakPolarHBondContact CB-OG1 3.33Å; S90-T92 PolarHBondContact O-N 3.09Å; S90-T92 VanDerWaalsContact O-N 3.15Å; S90-T92 PolarHBondContact OG-N 2.96Å; S90-T92 PolarHBondContact OG-OG1 2.79Å; S90-G93 PolarHBondContact O-N 2.71Å; S90-A94 PolarHBondContact N-O 3.26Å; S90-S126 PolarHBondContact O-N 3.16Å; S90-S126 VanDerWaalsContact O-N 3.1Å
91S97.8Very high97.2Very high33 Ų3325.9 Ų25.923%0.23112%0.123CC..THydrogen-bonded Turntrans-60-17.7166.261.50000113.3D74 G93 P125D74-S91 PolarHBondContact N-OG 2.83Å; D74-S91 PolarHBondContact O-N 3.26Å; D74-S91 VanDerWaalsContact O-N 3.1Å; D74-S91 PolarHBondContact OD2-OG 3.03Å; S91-G93 VanDerWaalsContact C-N 3.27Å; S91-G93 PolarHBondContact O-N 3.3Å; S91-P125 WeakPolarHBondContact O-CA 3.46Å
92T97.2Very high96.8Very high21 Ų2128.9 Ų28.913%0.12914%0.137CC..THydrogen-bonded Turntrans-79.3-3.9171.964.90000114Y72 S90 A94 N123Y72-T92 HydrophobicContact CD1-CG2 3.69Å; Y72-T92 HydrophobicContact CE1-CG2 3.79Å; S90-T92 WeakPolarHBondContact CB-OG1 3.33Å; S90-T92 PolarHBondContact O-N 3.09Å; S90-T92 VanDerWaalsContact O-N 3.15Å; S90-T92 PolarHBondContact OG-N 2.96Å; S90-T92 PolarHBondContact OG-OG1 2.79Å; T92-A94 VanDerWaalsContact C-N 3.26Å; T92-A94 PolarHBondContact O-N 3.19Å; T92-A94 WeakPolarHBondContact OG1-CB 3.48Å; T92-N123 WeakPolarHBondContact O-CB 3.49Å; T92-N123 PolarHBondContact O-ND2 2.82Å
93G97.4Very high96.6Very high0 Ų034.2 Ų34.20%017%0.165CC..SBendtrans78.67.6-173.900000114.7S90 S91 A116 H117 A124S90-G93 PolarHBondContact O-N 2.71Å; S91-G93 VanDerWaalsContact C-N 3.27Å; S91-G93 PolarHBondContact O-N 3.3Å; G93-A116 WeakPolarHBondContact O-CB 3.43Å; G93-A116 PolarHBondContact O-N 3.22Å; G93-A116 VanDerWaalsContact O-N 3.16Å; G93-H117 PolarHBondContact O-N 3.03Å; G93-A124 WeakPolarHBondContact CA-O 3.33Å; G93-A124 PolarHBondContact N-O 3.12Å
94A97.8Very high96.6Very high3 Ų332.9 Ų32.93%0.02517%0.166CC..  trans-77.8145.1174.200000111.8V89 S90 T92 W113V89-A94 WeakPolarHBondContact CA-O 3.29Å; S90-A94 PolarHBondContact N-O 3.26Å; T92-A94 VanDerWaalsContact C-N 3.26Å; T92-A94 PolarHBondContact O-N 3.19Å; T92-A94 WeakPolarHBondContact OG1-CB 3.48Å; A94-W113 WeakPolarHBondContact CA-O 3.29Å
95V98.3Very high96.6Very high0 Ų031.9 Ų31.90%016%0.161CC..EExtended strand (participates in β ladder)trans-117.1123.2168.5-178.60000107.6V87 T88 V89 Q112 W113 A116 T138 F148V87-V95 HydrophobicContact CG1-CG1 4.13Å; T88-V95 WeakPolarHBondContact O-CA 3.33Å; V89-V95 HydrophobicContact CG1-CG1 4.41Å; V89-V95 HydrophobicContact CG1-CG2 4.12Å; V95-Q112 WeakPolarHBondContact O-CA 3.4Å; V95-W113 HydrophobicContact CB-CE3 4.19Å; V95-W113 HydrophobicContact CG1-CE3 4.12Å; V95-W113 HydrophobicContact CG1-CZ3 4.42Å; V95-W113 PolarHBondContact N-O 2.86Å; V95-W113 VanDerWaalsContact N-O 3.08Å; V95-W113 PolarHBondContact O-N 3.1Å; V95-A116 HydrophobicContact CB-CB 4.35Å; V95-A116 HydrophobicContact CG2-CB 3.61Å; V95-T138 HydrophobicContact CG1-CG2 4.02Å; V95-T138 HydrophobicContact CG2-CG2 3.81Å; V95-F148 HydrophobicContact CG2-CE2 4.32Å; V95-F148 HydrophobicContact CG2-CZ 4.13Å
96T98.4Very high96.6Very high5 Ų532.3 Ų32.33%0.03117%0.17CC..EExtended strand (participates in β ladder)trans-126.2134.6-173.6-51.20000110.5V87 T88 F98 I109 Q112V87-T96 WeakPolarHBondContact CA-O 3.4Å; T88-T96 PolarHBondContact N-O 3.11Å; T88-T96 PolarHBondContact O-N 3.39Å; T96-F98 HydrophobicContact CG2-CD2 4.01Å; T96-F98 HydrophobicContact CG2-CE1 4.17Å; T96-F98 HydrophobicContact CG2-CE2 3.52Å; T96-F98 HydrophobicContact CG2-CZ 3.61Å; T96-I109 HydrophobicContact CG2-CD1 4.38Å; T96-I109 HydrophobicContact CG2-CG1 4.12Å; T96-I109 HydrophobicContact CG2-CG2 3.99Å; T96-Q112 HydrophobicContact CG2-CB 4.33Å; T96-Q112 HydrophobicContact CG2-CG 4.4Å
97I98.2Very high96.5Very high1 Ų133 Ų331%0.00517%0.174CC..EExtended strand (participates in β ladder)trans-105.6113.4170.9-52.4-178.8000107.6R85 I86 V87 C110 K111 W113 I136 V150R85-I97 HydrophobicContact CB-CG2 4.19Å; R85-I97 HydrophobicContact CG-CG2 4.49Å; I86-I97 CarbonylContact O-C 3.58Å; I86-I97 WeakPolarHBondContact O-CA 3.38Å; V87-I97 HydrophobicContact CG2-CG1 4.32Å; I97-C110 HydrophobicContact CB-CB 4.49Å; I97-C110 HydrophobicContact CG2-CB 4.32Å; I97-C110 WeakPolarHBondContact O-CB 3.38Å; I97-C110 PolarHBondContact O-N 3.12Å; I97-K111 HydrophobicContact CB-CB 4.24Å; I97-K111 HydrophobicContact CD1-CB 4.32Å; I97-K111 HydrophobicContact CG1-CB 4.4Å; I97-K111 PolarHBondContact N-O 2.92Å; I97-K111 PolarHBondContact O-N 2.85Å; I97-W113 HydrophobicContact CD1-CH2 3.97Å; I97-W113 HydrophobicContact CD1-CZ3 3.82Å; I97-W113 HydrophobicContact CG1-CZ3 4.04Å; I97-I136 HydrophobicContact CD1-CD1 3.61Å; I97-I136 HydrophobicContact CG1-CD1 4.18Å; I97-V150 HydrophobicContact CD1-CB 4.5Å; I97-V150 HydrophobicContact CD1-CG1 4.07Å; I97-V150 HydrophobicContact CD1-CG2 4.17Å
98F98.3Very high96.5Very high3 Ų334.7 Ų34.71%0.01319%0.185CC..EExtended strand (participates in β ladder)trans-90.9150.6169.7-64.3-86.4000110.5V42 Y69 R85 I86 T88 T96 L107 S108 I109V42-F98 HydrophobicContact CG2-CE2 4.02Å; V42-F98 HydrophobicContact CG2-CZ 4.35Å; Y69-F98 HydrophobicContact CD1-CD1 4.39Å; Y69-F98 AromaticContact CD1-CE1 3.48Å; Y69-F98 HydrophobicContact CD1-CE1 3.48Å; Y69-F98 VanDerWaalsContact CD1-CE1 3.48Å; Y69-F98 HydrophobicContact CD1-CZ 4.21Å; Y69-F98 AromaticContact CE1-CE1 3.97Å; Y69-F98 HydrophobicContact CE1-CE1 3.97Å; Y69-F98 HydrophobicContact CG-CD1 4.41Å; Y69-F98 AromaticContact CG-CE1 3.9Å; Y69-F98 HydrophobicContact CG-CE1 3.9Å; R85-F98 CarbonylContact C-O 3.59Å; R85-F98 VanDerWaalsContact CA-O 3.26Å; R85-F98 WeakPolarHBondContact CA-O 3.37Å; I86-F98 HydrophobicContact CB-CB 4.42Å; I86-F98 PolarHBondContact N-O 2.84Å; I86-F98 PolarHBondContact O-N 3.08Å; T88-F98 HydrophobicContact CG2-CD2 4.11Å; T88-F98 HydrophobicContact CG2-CE2 4.03Å; T88-F98 WeakPolarHBondContact OG1-CE2 3.27Å; T96-F98 HydrophobicContact CG2-CD2 4.01Å; T96-F98 HydrophobicContact CG2-CE1 4.17Å; T96-F98 HydrophobicContact CG2-CE2 3.52Å; T96-F98 HydrophobicContact CG2-CZ 3.61Å; F98-L107 HydrophobicContact CB-CD2 4.16Å; F98-S108 CarbonylContact C-O 3.51Å; F98-S108 VanDerWaalsContact CA-O 3.3Å; F98-S108 WeakPolarHBondContact CA-O 3.3Å; F98-I109 HydrophobicContact CD1-CG1 3.92Å; F98-I109 HydrophobicContact CE1-CD1 4.25Å; F98-I109 HydrophobicContact CE1-CG1 3.52Å; F98-I109 HydrophobicContact CZ-CG1 4.29Å
99R97.4Very high96.4Very high115 Ų11537.7 Ų37.743%0.43420%0.201SC..EExtended strand (participates in β ladder)trans-118.6127165.6174.7-177.566.9-179.72.2109.6E84 L107 S108 C110E84-R99 CarbonylContact O-C 3.57Å; E84-R99 WeakPolarHBondContact O-CA 3.34Å; R99-L107 WeakPolarHBondContact O-CA 3.47Å; R99-S108 PolarHBondContact N-O 3.45Å; R99-S108 PolarHBondContact O-N 2.94Å; R99-S108 PolarHBondContact O-OG 2.9Å; R99-C110 WeakPolarHBondContact CB-SG 3.21Å
100H96.9Very high96.2Very high2 Ų240.8 Ų40.81%0.00922%0.222CC..EExtended strand (participates in β ladder)trans-91.7110.9169.2175.8-129000109E84 L107E84-H100 PolarHBondContact O-N 2.9Å; H100-L107 HydrophobicContact CB-CD2 3.9Å
101D94.6Very high96.1Very high57 Ų5742.6 Ų42.631%0.30523%0.23SC..EExtended strand (participates in β ladder)trans-86.1115.3172.3-178.2-6.2000109.3N103 S104 Q105 T106D101-N103 VanDerWaalsContact C-N 3.28Å; D101-N103 PolarHBondContact O-N 3.28Å; D101-N103 PolarHBondContact OD1-N 2.8Å; D101-N103 PolarHBondContact OD1-ND2 3.08Å; D101-S104 VanDerWaalsContact CB-OG 3.32Å; D101-S104 WeakPolarHBondContact CB-OG 3.48Å; D101-S104 VanDerWaalsContact CG-OG 3.27Å; D101-S104 PolarHBondContact OD2-OG 2.93Å; D101-Q105 WeakPolarHBondContact O-CA 3.19Å; D101-Q105 PolarHBondContact O-N 2.86Å; D101-T106 PolarHBondContact N-O 2.83Å; D101-T106 PolarHBondContact O-N 2.79Å
102Q89.1Confident96Very high75 Ų7545.7 Ų45.735%0.3524%0.24SC..THydrogen-bonded Turntrans-72.1-19.6-177.7-57.7-176.236.200113R17 Q105R17-Q102 VanDerWaalsContact NH1-CD 3.28Å; Q102-Q105 PolarHBondContact O-NE2 2.94Å
103N90.6Very high96Very high155 Ų15546.2 Ų46.283%0.82924%0.24SC*.THydrogen-bonded Turntrans-80.8-44.9179.2-61-60.4000111.1D101D101-N103 VanDerWaalsContact C-N 3.28Å; D101-N103 PolarHBondContact O-N 3.28Å; D101-N103 PolarHBondContact OD1-N 2.8Å; D101-N103 PolarHBondContact OD1-ND2 3.08Å
104S93.2Very high95.8Very high59 Ų5948.9 Ų48.941%0.41326%0.262SS..THydrogen-bonded Turntrans-86.7-13.1177.858.90000113.2D101 T106D101-S104 VanDerWaalsContact CB-OG 3.32Å; D101-S104 WeakPolarHBondContact CB-OG 3.48Å; D101-S104 VanDerWaalsContact CG-OG 3.27Å; D101-S104 PolarHBondContact OD2-OG 2.93Å; S104-T106 VanDerWaalsContact C-N 3.3Å; S104-T106 PolarHBondContact O-N 3.45Å; S104-T106 PolarHBondContact OG-OG1 3.15Å
105Q93.9Very high95.6Very high81 Ų8154.6 Ų54.638%0.37928%0.283SS..THydrogen-bonded Turntrans53.948.6-173.6-58.8-73.9-42.800110.4I66 C67 D101 Q102I66-Q105 HydrophobicContact CG2-CB 3.77Å; I66-Q105 HydrophobicContact CG2-CG 4.31Å; C67-Q105 WeakPolarHBondContact CB-O 3.27Å; D101-Q105 WeakPolarHBondContact O-CA 3.19Å; D101-Q105 PolarHBondContact O-N 2.86Å; Q102-Q105 PolarHBondContact O-NE2 2.94Å
106T95.8Very high95.4Very high67 Ų6755 Ų5541%0.41129%0.286SS..EExtended strand (participates in β ladder)trans-128.6146.1-178.358.40000112.2D101 S104D101-T106 PolarHBondContact N-O 2.83Å; D101-T106 PolarHBondContact O-N 2.79Å; S104-T106 VanDerWaalsContact C-N 3.3Å; S104-T106 PolarHBondContact O-N 3.45Å; S104-T106 PolarHBondContact OG-OG1 3.15Å
107L97.5Very high95.4Very high15 Ų1554.8 Ų54.88%0.07929%0.285CS..EExtended strand (participates in β ladder)trans-93.1139.7166.8-79168.1000111.2V42 V44 I86 F98 R99 H100V42-L107 HydrophobicContact CG1-CD1 4.45Å; V42-L107 WeakPolarHBondContact O-CD1 3.11Å; V44-L107 HydrophobicContact CG2-CD1 4.07Å; V44-L107 HydrophobicContact CG2-CD2 4.07Å; V44-L107 HydrophobicContact CG2-CG 4.24Å; I86-L107 HydrophobicContact CD1-CD2 4.25Å; F98-L107 HydrophobicContact CB-CD2 4.16Å; R99-L107 WeakPolarHBondContact O-CA 3.47Å; H100-L107 HydrophobicContact CB-CD2 3.9Å
108S97.5Very high95.3Very high35 Ų3560 Ų6025%0.24531%0.305CS..EExtended strand (participates in β ladder)trans-141.6148.417556.20000110.7F98 R99 C110F98-S108 CarbonylContact C-O 3.51Å; F98-S108 VanDerWaalsContact CA-O 3.3Å; F98-S108 WeakPolarHBondContact CA-O 3.3Å; R99-S108 PolarHBondContact N-O 3.45Å; R99-S108 PolarHBondContact O-N 2.94Å; R99-S108 PolarHBondContact O-OG 2.9Å; S108-C110 PolarHBondContact O-N 2.85Å
109I97.6Very high95Very high63 Ų6363.8 Ų63.832%0.32332%0.319SS..EExtended strand (participates in β ladder)trans-76.3118.8173.3-63.4174.4000108.7Y69 T96 F98 Q112Y69-I109 HydrophobicContact CE1-CD1 3.71Å; Y69-I109 HydrophobicContact CE1-CG1 3.99Å; Y69-I109 WeakPolarHBondContact OH-CD1 3.43Å; T96-I109 HydrophobicContact CG2-CD1 4.38Å; T96-I109 HydrophobicContact CG2-CG1 4.12Å; T96-I109 HydrophobicContact CG2-CG2 3.99Å; F98-I109 HydrophobicContact CD1-CG1 3.92Å; F98-I109 HydrophobicContact CE1-CD1 4.25Å; F98-I109 HydrophobicContact CE1-CG1 3.52Å; F98-I109 HydrophobicContact CZ-CG1 4.29Å; I109-Q112 HydrophobicContact CG2-CB 4.24Å
110C94.9Very high94.5Very high66 Ų6665.1 Ų65.145%0.44634%0.343SS..EExtended strand (participates in β ladder)trans-81.7-41.1169.1-82.50000111.6I97 R99 S108I97-C110 HydrophobicContact CB-CB 4.49Å; I97-C110 HydrophobicContact CG2-CB 4.32Å; I97-C110 WeakPolarHBondContact O-CB 3.38Å; I97-C110 PolarHBondContact O-N 3.12Å; R99-C110 WeakPolarHBondContact CB-SG 3.21Å; S108-C110 PolarHBondContact O-N 2.85Å
111K95.9Very high94.1Very high39 Ų3970.8 Ų70.817%0.1738%0.381CS..EExtended strand (participates in β ladder)trans-158.7146-172.9-161.1166.2-166.8169.50111.2I97 W113 V150 Q152I97-K111 HydrophobicContact CB-CB 4.24Å; I97-K111 HydrophobicContact CD1-CB 4.32Å; I97-K111 HydrophobicContact CG1-CB 4.4Å; I97-K111 PolarHBondContact N-O 2.92Å; I97-K111 PolarHBondContact O-N 2.85Å; K111-W113 HydrophobicContact CD-CH2 3.52Å; K111-W113 HydrophobicContact CD-CZ2 3.57Å; K111-W113 HydrophobicContact CD-CZ3 4.17Å; K111-W113 HydrophobicContact CG-CH2 4.08Å; K111-W113 HydrophobicContact CG-CZ2 4.16Å; K111-W113 HydrophobicContact CG-CZ3 4.26Å; K111-V150 PolarHBondContact NZ-O 3.03Å; K111-Q152 PolarHBondContact NZ-O 2.98Å
112Q96.3Very high94Very high97 Ų9772.8 Ų72.845%0.45339%0.392SS..EExtended strand (participates in β ladder)trans-145.6131.3177.2-174.9176.42.400110.8V95 T96 I109V95-Q112 WeakPolarHBondContact O-CA 3.4Å; T96-Q112 HydrophobicContact CG2-CB 4.33Å; T96-Q112 HydrophobicContact CG2-CG 4.4Å; I109-Q112 HydrophobicContact CG2-CB 4.24Å
113W96.7Very high94.2Very high32 Ų3271.3 Ų71.312%0.12139%0.387CS..EExtended strand (participates in β ladder)trans-106.188.6166.4-62.9-86.5000108.2A94 V95 I97 K111 R115 A116 F148 E153A94-W113 WeakPolarHBondContact CA-O 3.29Å; V95-W113 HydrophobicContact CB-CE3 4.19Å; V95-W113 HydrophobicContact CG1-CE3 4.12Å; V95-W113 HydrophobicContact CG1-CZ3 4.42Å; V95-W113 PolarHBondContact N-O 2.86Å; V95-W113 VanDerWaalsContact N-O 3.08Å; V95-W113 PolarHBondContact O-N 3.1Å; I97-W113 HydrophobicContact CD1-CH2 3.97Å; I97-W113 HydrophobicContact CD1-CZ3 3.82Å; I97-W113 HydrophobicContact CG1-CZ3 4.04Å; K111-W113 HydrophobicContact CD-CH2 3.52Å; K111-W113 HydrophobicContact CD-CZ2 3.57Å; K111-W113 HydrophobicContact CD-CZ3 4.17Å; K111-W113 HydrophobicContact CG-CH2 4.08Å; K111-W113 HydrophobicContact CG-CZ2 4.16Å; K111-W113 HydrophobicContact CG-CZ3 4.26Å; W113-R115 PolarHBondContact O-N 3.03Å; W113-R115 VanDerWaalsContact O-N 3.11Å; W113-A116 HydrophobicContact CB-CB 4.09Å; W113-A116 PolarHBondContact O-N 2.77Å; W113-F148 HydrophobicContact CB-CE1 4.17Å; W113-F148 AromaticContact CD2-CD1 3.6Å; W113-F148 HydrophobicContact CD2-CD1 3.6Å; W113-F148 AromaticContact CD2-CE1 3.65Å; W113-F148 HydrophobicContact CD2-CE1 3.65Å; W113-F148 AromaticContact CE2-CD1 3.5Å; W113-F148 AromaticContact CE2-CE1 3.95Å; W113-F148 AromaticContact CE3-CD1 3.88Å; W113-F148 HydrophobicContact CE3-CD1 3.88Å; W113-F148 HydrophobicContact CE3-CE1 4.04Å; W113-F148 HydrophobicContact CG-CD1 4.11Å; W113-F148 AromaticContact CG-CE1 3.71Å; W113-F148 HydrophobicContact CG-CE1 3.71Å; W113-F148 HydrophobicContact CH2-CB 3.94Å; W113-F148 AromaticContact CH2-CD1 3.92Å; W113-F148 HydrophobicContact CH2-CD1 3.92Å; W113-F148 HydrophobicContact CH2-CG 4.2Å; W113-F148 HydrophobicContact CZ2-CB 4.19Å; W113-F148 AromaticContact CZ2-CD1 3.66Å; W113-F148 HydrophobicContact CZ2-CD1 3.66Å; W113-F148 HydrophobicContact CZ2-CG 4.32Å; W113-F148 HydrophobicContact CZ3-CB 4.42Å; W113-F148 HydrophobicContact CZ3-CD1 4.04Å; W113-F148 HydrophobicContact CZ3-CG 4.32Å; W113-F148 AromaticContact NE1-CD1 3.99Å; W113-E153 PolarHBondContact NE1-O 2.77Å
114A93.9Very high94.5Very high56 Ų5664 Ų6446%0.46335%0.347SS..THydrogen-bonded Turntrans-62.6-21-168.800000115.2
115R92.2Very high94.8Very high124 Ų12462.3 Ų62.347%0.46834%0.335SS..THydrogen-bonded Turntrans-135.945.9-180-62.7-174.968.4106.34.5111.4W113 R118 N123W113-R115 PolarHBondContact O-N 3.03Å; W113-R115 VanDerWaalsContact O-N 3.11Å; R115-R118 PolarHBondContact O-NH1 2.93Å; R115-N123 PolarHBondContact NE-OD1 3.2Å; R115-N123 PolarHBondContact NH1-OD1 3.35Å; R115-N123 PolarHBondContact NH2-OD1 3.04Å
116A95.3Very high94.9Very high8 Ų858.4 Ų58.47%0.06632%0.317CS..SBendtrans-59.6-56.5176.200000109.8G93 V95 W113 R144 I146 F148G93-A116 WeakPolarHBondContact O-CB 3.43Å; G93-A116 PolarHBondContact O-N 3.22Å; G93-A116 VanDerWaalsContact O-N 3.16Å; V95-A116 HydrophobicContact CB-CB 4.35Å; V95-A116 HydrophobicContact CG2-CB 3.61Å; W113-A116 HydrophobicContact CB-CB 4.09Å; W113-A116 PolarHBondContact O-N 2.77Å; A116-R144 PolarHBondContact O-NH2 2.85Å; A116-I146 HydrophobicContact CB-CD1 4.27Å; A116-I146 WeakPolarHBondContact O-CD1 3.38Å; A116-F148 HydrophobicContact CB-CE1 4.42Å; A116-F148 HydrophobicContact CB-CZ 3.87Å
117H97.5Very high95.1Very high0 Ų056.3 Ų56.30%030%0.304CS..SBendtrans-97.1132.3173.5-68.4-86.6000111.1G93 A124 S126 T138 G140 D142 R144G93-H117 PolarHBondContact O-N 3.03Å; H117-A124 CarbonylContact C-O 3.59Å; H117-A124 HydrophobicContact CB-CB 4.48Å; H117-A124 VanDerWaalsContact CB-O 3.22Å; H117-A124 WeakPolarHBondContact CB-O 3.45Å; H117-A124 PolarHBondContact O-N 2.83Å; H117-S126 VanDerWaalsContact CD2-CB 3.47Å; H117-S126 WeakPolarHBondContact CD2-CB 3.42Å; H117-S126 PolarHBondContact CD2-OG 2.88Å; H117-T138 PolarHBondContact NE2-OG1 2.84Å; H117-G140 PolarHBondContact CE1-N 2.9Å; H117-D142 WeakPolarHBondContact CA-OD2 3.26Å; H117-D142 WeakPolarHBondContact CB-OD2 3.34Å; H117-D142 IonicContact CE1-OD1 3.62Å; H117-D142 IonicContact CG-OD1 3.54Å; H117-D142 IonicContact CG-OD2 2.68Å; H117-D142 IonicContact ND1-OD1 3.87Å; H117-D142 PolarHBondContact ND1-OD1 2.92Å; H117-D142 IonicContact ND1-OD2 3.16Å; H117-D142 PolarHBondContact ND1-OD2 2.87Å; H117-R144 VanDerWaalsContact CA-NH2 3.28Å; H117-R144 PolarHBondContact CE1-O 3.11Å
118R95.9Very high95.1Very high111 Ų11155.6 Ų55.642%0.41930%0.3SS..BIsolated β-bridgetrans-165.8144.6-171.876.7-171.4179.2-81.5-5.5111.8R115 D142 R144R115-R118 PolarHBondContact O-NH1 2.93Å; R118-D142 PolarHBondContact N-OD2 3.43Å; R118-R144 PolarHBondContact O-NH2 3.24Å
119Y92.4Very high95.2Very high82 Ų8253.9 Ų53.932%0.32229%0.288SS..  trans-84.5167.6160-60-62.9000110.1C121 D122 N123 A124 E141 D142Y119-C121 PolarHBondContact O-N 3.11Å; Y119-C121 VanDerWaalsContact O-N 3.16Å; Y119-D122 CarbonylContact C-O 3.49Å; Y119-D122 PolarHBondContact N-O 3.5Å; Y119-N123 WeakPolarHBondContact CD2-O 3.34Å; Y119-A124 HydrophobicContact CD1-CB 4.32Å; Y119-A124 HydrophobicContact CD2-CB 3.62Å; Y119-A124 HydrophobicContact CE1-CB 4.17Å; Y119-A124 HydrophobicContact CE2-CB 3.44Å; Y119-A124 VanDerWaalsContact CE2-CB 3.44Å; Y119-A124 HydrophobicContact CG-CB 4.07Å; Y119-E141 WeakPolarHBondContact OH-CB 3.48Å; Y119-E141 PolarHBondContact OH-O 3.21Å; Y119-E141 PolarHBondContact OH-OE2 2.64Å; Y119-D142 HydrophobicContact CD1-CB 4.29Å; Y119-D142 HydrophobicContact CE1-CB 4.11Å
120P87.8Confident95.2Very high143 Ų14351 Ų5193%0.92927%0.274SS*.SBendtrans-56.4-30.6177.4-28.836.8000114.4
121C87.6Confident95.3Very high121 Ų12149.2 Ų49.282%0.81826%0.262SS*.SBendtrans-115.4-8.1-175.458.40000114.7Y119Y119-C121 PolarHBondContact O-N 3.11Å; Y119-C121 VanDerWaalsContact O-N 3.16Å
122D92.6Very high95.2Very high99 Ų9950 Ų5053%0.52927%0.268SS..SBendtrans-151.6171.1-175.6-151-9.1000111.9Y119Y119-D122 CarbonylContact C-O 3.49Å; Y119-D122 PolarHBondContact N-O 3.5Å
123N93.9Very high95Very high45 Ų4548.3 Ų48.324%0.24127%0.267CS..BIsolated β-bridgetrans-68.5150.5166.8-74.4-10.6000110.5T92 R115 Y119T92-N123 WeakPolarHBondContact O-CB 3.49Å; T92-N123 PolarHBondContact O-ND2 2.82Å; R115-N123 PolarHBondContact NE-OD1 3.2Å; R115-N123 PolarHBondContact NH1-OD1 3.35Å; R115-N123 PolarHBondContact NH2-OD1 3.04Å; Y119-N123 WeakPolarHBondContact CD2-O 3.34Å
124A97Very high94.9Very high0 Ų049 Ų490%028%0.275CS..  trans-124.6131.6174.400000107.9G93 H117 Y119 S126 D142G93-A124 WeakPolarHBondContact CA-O 3.33Å; G93-A124 PolarHBondContact N-O 3.12Å; H117-A124 CarbonylContact C-O 3.59Å; H117-A124 HydrophobicContact CB-CB 4.48Å; H117-A124 VanDerWaalsContact CB-O 3.22Å; H117-A124 WeakPolarHBondContact CB-O 3.45Å; H117-A124 PolarHBondContact O-N 2.83Å; Y119-A124 HydrophobicContact CD1-CB 4.32Å; Y119-A124 HydrophobicContact CD2-CB 3.62Å; Y119-A124 HydrophobicContact CE1-CB 4.17Å; Y119-A124 HydrophobicContact CE2-CB 3.44Å; Y119-A124 VanDerWaalsContact CE2-CB 3.44Å; Y119-A124 HydrophobicContact CG-CB 4.07Å; A124-S126 PolarHBondContact O-N 3.42Å; A124-D142 HydrophobicContact CB-CB 3.74Å
125P98Very high95Very high24 Ų2449.2 Ų49.216%0.15627%0.267CS..  trans-53.6134.5177.9-27.334.8000112.4L76 S91 G140 E141L76-P125 HydrophobicContact CD1-CB 3.69Å; S91-P125 WeakPolarHBondContact O-CA 3.46Å; P125-G140 WeakPolarHBondContact O-CA 3.14Å; P125-E141 HydrophobicContact CB-CG 3.96Å; P125-E141 WeakPolarHBondContact CD-OE2 3.39Å; P125-E141 HydrophobicContact CG-CG 4.17Å; P125-E141 PolarHBondContact O-N 2.83Å
126S97.8Very high95.3Very high0 Ų043.3 Ų43.30%025%0.245CC..EExtended strand (participates in β ladder)trans-92.3115.2168.6-175.70000107.1L76 V89 S90 H117 A124 V139L76-S126 WeakPolarHBondContact CB-O 3.33Å; L76-S126 WeakPolarHBondContact CD1-O 3.44Å; V89-S126 WeakPolarHBondContact CB-OG 3.39Å; V89-S126 WeakPolarHBondContact CG1-OG 3.23Å; V89-S126 VanDerWaalsContact CG2-O 3.3Å; V89-S126 WeakPolarHBondContact CG2-O 3.34Å; S90-S126 PolarHBondContact O-N 3.16Å; S90-S126 VanDerWaalsContact O-N 3.1Å; H117-S126 VanDerWaalsContact CD2-CB 3.47Å; H117-S126 WeakPolarHBondContact CD2-CB 3.42Å; H117-S126 PolarHBondContact CD2-OG 2.88Å; A124-S126 PolarHBondContact O-N 3.42Å; S126-V139 CarbonylContact C-O 3.5Å; S126-V139 WeakPolarHBondContact CA-O 3.41Å; S126-V139 PolarHBondContact OG-O 3.01Å
127T98.3Very high95.4Very high22 Ų2243 Ų4314%0.13524%0.241CC..EExtended strand (participates in β ladder)trans-98-25-162.647.70000113.6V139 G140 E141 L167 H168T127-V139 PolarHBondContact N-O 2.94Å; T127-V139 PolarHBondContact OG1-O 2.94Å; T127-G140 WeakPolarHBondContact OG1-CA 3.46Å; T127-E141 HydrophobicContact CG2-CG 3.79Å; T127-L167 WeakPolarHBondContact CB-O 3.29Å; T127-L167 PolarHBondContact OG1-O 2.97Å; T127-H168 CarbonylContact C-O 3.57Å
128G98.3Very high95.5Very high0 Ų043 Ų430%024%0.241CC..EExtended strand (participates in β ladder)trans-151.4151.2-179.300000113.2D77 T138 V139D77-G128 WeakPolarHBondContact OD2-CA 3.14Å; G128-T138 VanDerWaalsContact O-CA 3.29Å; G128-T138 WeakPolarHBondContact O-CA 3.19Å; G128-V139 PolarHBondContact N-O 2.87Å; G128-V139 PolarHBondContact O-N 3.35Å
129V98.6Very high95.6Very high0 Ų037.7 Ų37.70%022%0.222CC..EExtended strand (participates in β ladder)trans-134.9140.3174.859.50000110.9D77 Q79 V87 V89 I136 V137 T138D77-V129 HydrophobicContact CB-CG1 4.05Å; D77-V129 WeakPolarHBondContact OD2-CG1 3.34Å; D77-V129 PolarHBondContact OD2-N 2.87Å; Q79-V129 HydrophobicContact CB-CG1 4.38Å; Q79-V129 HydrophobicContact CG-CG1 4.19Å; Q79-V129 PolarHBondContact NE2-O 3.32Å; V87-V129 HydrophobicContact CB-CG2 4.45Å; V87-V129 HydrophobicContact CG1-CG2 3.87Å; V89-V129 HydrophobicContact CG1-CB 3.8Å; V89-V129 HydrophobicContact CG1-CG1 4.2Å; V89-V129 HydrophobicContact CG2-CG1 4.48Å; V129-I136 HydrophobicContact CG2-CG2 3.58Å; V129-V137 CarbonylContact C-O 3.58Å; V129-V137 WeakPolarHBondContact CA-O 3.31Å; V129-T138 HydrophobicContact CB-CG2 4.2Å; V129-T138 HydrophobicContact CG2-CG2 3.98Å
130A98.2Very high95.9Very high3 Ų333.8 Ų33.83%0.02521%0.206CC..EExtended strand (participates in β ladder)trans-125.6133168.800000110V137 V170 Y172A130-V137 PolarHBondContact N-O 2.93Å; A130-V137 PolarHBondContact O-N 2.8Å; A130-V170 HydrophobicContact CB-CG1 4.04Å; A130-Y172 HydrophobicContact CB-CD2 3.73Å; A130-Y172 HydrophobicContact CB-CE2 3.84Å; A130-Y172 WeakPolarHBondContact O-CE2 3.42Å
131C96.8Very high96.4Very high27 Ų2730.4 Ų30.418%0.18218%0.178CC..EExtended strand (participates in β ladder)trans-106.7133.3-179.8-660000112.1Q79 L81Q79-C131 VanDerWaalsContact OE1-N 3.17Å; L81-C131 HydrophobicContact CD1-CB 4.02Å
132N94.6Very high96.8Very high56 Ų5625.6 Ų25.630%0.29914%0.144SC..EExtended strand (participates in β ladder)trans-143.484.1168.1177.634000108E135 Y172N132-E135 CarbonylContact C-O 3.53Å; N132-E135 PolarHBondContact N-O 2.97Å; N132-E135 WeakPolarHBondContact O-CA 3.39Å; N132-E135 PolarHBondContact O-N 3.28Å; N132-Y172 HydrophobicContact CB-CD1 4.45Å; N132-Y172 HydrophobicContact CB-CD2 3.83Å; N132-Y172 HydrophobicContact CB-CE1 4.14Å; N132-Y172 HydrophobicContact CB-CE2 3.5Å; N132-Y172 VanDerWaalsContact CB-CE2 3.5Å; N132-Y172 HydrophobicContact CB-CG 4.29Å
133S92.4Very high97Very high61 Ų6121 Ų2143%0.42712%0.12SC..THydrogen-bonded Turntrans-48.2128.9-167.5-172.50000112.9
134P94.3Very high97.2Very high47 Ų4719.3 Ų19.331%0.30511%0.11SC..THydrogen-bonded Turncis-93.912.29.338.5-37.3000115R149 V150P134-R149 HydrophobicContact CB-CG 4.35Å; P134-R149 HydrophobicContact CG-CG 4.33Å; P134-V150 VanDerWaalsContact O-CG2 3.28Å; P134-V150 WeakPolarHBondContact O-CG2 2.92Å; P134-V150 PolarHBondContact O-N 3.48Å; P134-V150 VanDerWaalsContact O-N 3.12Å
135E95.9Very high97.2Very high61 Ų6119.3 Ų19.329%0.28511%0.11SC..EExtended strand (participates in β ladder)trans-93.5144.8-177.7-63.9-174.5139.300112.2N132 F148N132-E135 CarbonylContact C-O 3.53Å; N132-E135 PolarHBondContact N-O 2.97Å; N132-E135 WeakPolarHBondContact O-CA 3.39Å; N132-E135 PolarHBondContact O-N 3.28Å; E135-F148 WeakPolarHBondContact CA-O 3.48Å
136I97.6Very high97.2Very high0 Ų018.3 Ų18.30%010%0.104CC..EExtended strand (participates in β ladder)trans-131.1133.2177.6-59.3163.5000106.9L81 V87 I97 V129 T138 V147 F148 V150L81-I136 HydrophobicContact CD1-CD1 4.5Å; L81-I136 HydrophobicContact CD1-CG1 4.02Å; L81-I136 HydrophobicContact CD2-CD1 4.48Å; V87-I136 HydrophobicContact CG1-CD1 4.33Å; V87-I136 HydrophobicContact CG1-CG2 4.07Å; V87-I136 HydrophobicContact CG2-CD1 3.72Å; V87-I136 HydrophobicContact CG2-CG1 4.28Å; I97-I136 HydrophobicContact CD1-CD1 3.61Å; I97-I136 HydrophobicContact CG1-CD1 4.18Å; V129-I136 HydrophobicContact CG2-CG2 3.58Å; I136-T138 HydrophobicContact CG2-CG2 4.18Å; I136-V147 WeakPolarHBondContact O-CA 3.47Å; I136-F148 HydrophobicContact CB-CB 4.29Å; I136-F148 HydrophobicContact CG2-CD2 4.49Å; I136-F148 PolarHBondContact N-O 3.29Å; I136-F148 PolarHBondContact O-N 3Å; I136-V150 HydrophobicContact CD1-CG2 3.88Å; I136-V150 HydrophobicContact CG1-CG2 4.46Å
137V98.6Very high97.2Very high0 Ų018.5 Ų18.50%011%0.105CC..EExtended strand (participates in β ladder)trans-117.2131.7174172.70000108.7V129 A130 I145 I146 V147 V170 Y172 V178 L192V129-V137 CarbonylContact C-O 3.58Å; V129-V137 WeakPolarHBondContact CA-O 3.31Å; A130-V137 PolarHBondContact N-O 2.93Å; A130-V137 PolarHBondContact O-N 2.8Å; V137-I145 HydrophobicContact CG1-CG2 3.72Å; V137-I146 CarbonylContact C-O 3.52Å; V137-I146 WeakPolarHBondContact CA-O 3.38Å; V137-V147 HydrophobicContact CG2-CG1 4.3Å; V137-V147 HydrophobicContact CG2-CG2 4.21Å; V137-V170 HydrophobicContact CG1-CG2 3.88Å; V137-Y172 HydrophobicContact CG2-CE1 4.21Å; V137-Y172 HydrophobicContact CG2-CE2 4.43Å; V137-Y172 VanDerWaalsContact CG2-OH 3.22Å; V137-Y172 WeakPolarHBondContact CG2-OH 3.23Å; V137-V178 HydrophobicContact CG1-CG1 4.39Å; V137-V178 HydrophobicContact CG2-CG1 4.21Å; V137-L192 HydrophobicContact CG2-CD1 3.98Å
138T98.7Very high97.1Very high0 Ų017.5 Ų17.50%010%0.098CC..EExtended strand (participates in β ladder)trans-123.8154.1174.4700000111.7V89 V95 H117 G128 V129 I136 I145 I146 F148V89-T138 HydrophobicContact CG1-CG2 3.93Å; V95-T138 HydrophobicContact CG1-CG2 4.02Å; V95-T138 HydrophobicContact CG2-CG2 3.81Å; H117-T138 PolarHBondContact NE2-OG1 2.84Å; G128-T138 VanDerWaalsContact O-CA 3.29Å; G128-T138 WeakPolarHBondContact O-CA 3.19Å; V129-T138 HydrophobicContact CB-CG2 4.2Å; V129-T138 HydrophobicContact CG2-CG2 3.98Å; I136-T138 HydrophobicContact CG2-CG2 4.18Å; T138-I145 WeakPolarHBondContact O-CA 3.43Å; T138-I146 PolarHBondContact N-O 3.31Å; T138-I146 PolarHBondContact O-N 2.91Å; T138-F148 HydrophobicContact CG2-CD2 4.3Å; T138-F148 HydrophobicContact CG2-CE2 3.82Å; T138-F148 WeakPolarHBondContact OG1-CE2 3.48Å
139V98.8Very high97Very high0 Ų022 Ų220%012%0.115CC..EExtended strand (participates in β ladder)trans-130.7158.5174.1-62.20000110S126 T127 G128 R144 I145 L167 V170 T180S126-V139 CarbonylContact C-O 3.5Å; S126-V139 WeakPolarHBondContact CA-O 3.41Å; S126-V139 PolarHBondContact OG-O 3.01Å; T127-V139 PolarHBondContact N-O 2.94Å; T127-V139 PolarHBondContact OG1-O 2.94Å; G128-V139 PolarHBondContact N-O 2.87Å; G128-V139 PolarHBondContact O-N 3.35Å; V139-R144 WeakPolarHBondContact CA-O 3.44Å; V139-I145 HydrophobicContact CG1-CB 4.49Å; V139-I145 HydrophobicContact CG1-CG1 4.04Å; V139-I145 HydrophobicContact CG1-CG2 4.29Å; V139-L167 HydrophobicContact CB-CB 3.83Å; V139-L167 HydrophobicContact CB-CD1 3.93Å; V139-L167 HydrophobicContact CG1-CD1 3.93Å; V139-L167 HydrophobicContact CG2-CB 4.13Å; V139-V170 HydrophobicContact CG1-CB 3.78Å; V139-V170 HydrophobicContact CG1-CG1 4.05Å; V139-V170 HydrophobicContact CG1-CG2 4.21Å; V139-V170 HydrophobicContact CG2-CB 4.05Å; V139-V170 HydrophobicContact CG2-CG1 3.95Å; V139-T180 HydrophobicContact CG1-CG2 3.92Å
140G98Very high96.7Very high0 Ų022.9 Ų22.90%012%0.121CC..EExtended strand (participates in β ladder)trans-153.8176.6-178.900000113.5H117 P125 T127 D142 G143H117-G140 PolarHBondContact CE1-N 2.9Å; P125-G140 WeakPolarHBondContact O-CA 3.14Å; T127-G140 WeakPolarHBondContact OG1-CA 3.46Å; G140-D142 PolarHBondContact O-N 3.49Å; G140-G143 PolarHBondContact O-N 3.28Å; G140-G143 VanDerWaalsContact O-N 3.14Å
141E97.8Very high96.4Very high73 Ų7327.8 Ų27.834%0.34115%0.147SC..THydrogen-bonded Turntrans-66.6-20178.7-58.8-170.9170.100113.2Y119 P125 T127 G143 T166Y119-E141 WeakPolarHBondContact OH-CB 3.48Å; Y119-E141 PolarHBondContact OH-O 3.21Å; Y119-E141 PolarHBondContact OH-OE2 2.64Å; P125-E141 HydrophobicContact CB-CG 3.96Å; P125-E141 WeakPolarHBondContact CD-OE2 3.39Å; P125-E141 HydrophobicContact CG-CG 4.17Å; P125-E141 PolarHBondContact O-N 2.83Å; T127-E141 HydrophobicContact CG2-CG 3.79Å; E141-G143 PolarHBondContact O-N 3.23Å; E141-G143 VanDerWaalsContact O-N 3.15Å; E141-T166 HydrophobicContact CB-CG2 4.19Å; E141-T166 HydrophobicContact CG-CG2 3.75Å
142D97.2Very high96.2Very high20 Ų2030.2 Ų30.211%0.10716%0.155CC..THydrogen-bonded Turntrans-71.20.6173.561.36.6000114.1H117 R118 Y119 A124 G140 R144H117-D142 WeakPolarHBondContact CA-OD2 3.26Å; H117-D142 WeakPolarHBondContact CB-OD2 3.34Å; H117-D142 IonicContact CE1-OD1 3.62Å; H117-D142 IonicContact CG-OD1 3.54Å; H117-D142 IonicContact CG-OD2 2.68Å; H117-D142 IonicContact ND1-OD1 3.87Å; H117-D142 PolarHBondContact ND1-OD1 2.92Å; H117-D142 IonicContact ND1-OD2 3.16Å; H117-D142 PolarHBondContact ND1-OD2 2.87Å; R118-D142 PolarHBondContact N-OD2 3.43Å; Y119-D142 HydrophobicContact CD1-CB 4.29Å; Y119-D142 HydrophobicContact CE1-CB 4.11Å; A124-D142 HydrophobicContact CB-CB 3.74Å; G140-D142 PolarHBondContact O-N 3.49Å; D142-R144 VanDerWaalsContact CG-NE 3.33Å; D142-R144 PolarHBondContact O-N 3.22Å; D142-R144 WeakPolarHBondContact OD1-CB 3.19Å; D142-R144 PolarHBondContact OD1-N 3.14Å; D142-R144 IonicContact OD1-NE 3.95Å; D142-R144 IonicContact OD2-CZ 2.83Å; D142-R144 IonicContact OD2-NE 3.54Å; D142-R144 PolarHBondContact OD2-NE 2.82Å; D142-R144 IonicContact OD2-NH2 3.42Å; D142-R144 PolarHBondContact OD2-NH2 3.06Å
143G96.6Very high95.9Very high1 Ų135.8 Ų35.81%0.0118%0.179CC..SBendtrans69.720.7177.400000113.2G140 E141 A162 D163G140-G143 PolarHBondContact O-N 3.28Å; G140-G143 VanDerWaalsContact O-N 3.14Å; E141-G143 PolarHBondContact O-N 3.23Å; E141-G143 VanDerWaalsContact O-N 3.15Å; G143-A162 WeakPolarHBondContact O-CA 3.44Å; G143-A162 VanDerWaalsContact O-CB 3.27Å; G143-A162 WeakPolarHBondContact O-CB 3.39Å; G143-A162 PolarHBondContact O-N 2.96Å; G143-D163 WeakPolarHBondContact CA-O 3.49Å; G143-D163 PolarHBondContact O-N 3.35Å; G143-D163 VanDerWaalsContact O-N 3.15Å
144R97.3Very high95.9Very high11 Ų1136.3 Ų36.34%0.04219%0.187CC..  trans-101.7148.2178.8-61-172.2-63.9164.91.3111.4A116 H117 R118 V139 D142 I146 I159 E160A116-R144 PolarHBondContact O-NH2 2.85Å; H117-R144 VanDerWaalsContact CA-NH2 3.28Å; H117-R144 PolarHBondContact CE1-O 3.11Å; R118-R144 PolarHBondContact O-NH2 3.24Å; V139-R144 WeakPolarHBondContact CA-O 3.44Å; D142-R144 VanDerWaalsContact CG-NE 3.33Å; D142-R144 PolarHBondContact O-N 3.22Å; D142-R144 WeakPolarHBondContact OD1-CB 3.19Å; D142-R144 PolarHBondContact OD1-N 3.14Å; D142-R144 IonicContact OD1-NE 3.95Å; D142-R144 IonicContact OD2-CZ 2.83Å; D142-R144 IonicContact OD2-NE 3.54Å; D142-R144 PolarHBondContact OD2-NE 2.82Å; D142-R144 IonicContact OD2-NH2 3.42Å; D142-R144 PolarHBondContact OD2-NH2 3.06Å; R144-I146 HydrophobicContact CB-CG1 4.44Å; R144-I159 WeakPolarHBondContact CA-O 3.29Å; R144-E160 WeakPolarHBondContact CD-OE2 3.3Å; R144-E160 IonicContact NH1-OE1 2.68Å
145I98.2Very high95.8Very high0 Ų037 Ų370%019%0.19CC..EExtended strand (participates in β ladder)trans-115.4122.3168.7-51.8171.4000107V137 T138 V139 I159 A162 L167 T180 W190V137-I145 HydrophobicContact CG1-CG2 3.72Å; T138-I145 WeakPolarHBondContact O-CA 3.43Å; V139-I145 HydrophobicContact CG1-CB 4.49Å; V139-I145 HydrophobicContact CG1-CG1 4.04Å; V139-I145 HydrophobicContact CG1-CG2 4.29Å; I145-I159 HydrophobicContact CB-CB 4.09Å; I145-I159 HydrophobicContact CB-CD1 4.27Å; I145-I159 HydrophobicContact CB-CG1 4.34Å; I145-I159 HydrophobicContact CD1-CD1 4.4Å; I145-I159 PolarHBondContact N-O 2.76Å; I145-I159 PolarHBondContact O-N 2.86Å; I145-A162 HydrophobicContact CD1-CB 3.75Å; I145-A162 HydrophobicContact CG1-CB 3.76Å; I145-L167 HydrophobicContact CD1-CD1 4.47Å; I145-L167 HydrophobicContact CG1-CD1 3.83Å; I145-T180 HydrophobicContact CD1-CG2 3.77Å; I145-T180 HydrophobicContact CG1-CG2 4.3Å; I145-W190 HydrophobicContact CD1-CD2 3.57Å; I145-W190 HydrophobicContact CD1-CE3 4.23Å; I145-W190 HydrophobicContact CD1-CG 3.76Å; I145-W190 HydrophobicContact CD1-CZ2 3.89Å
146I98Very high95.8Very high3 Ų337.2 Ų37.22%0.01520%0.196CC..EExtended strand (participates in β ladder)trans-118.9129.3-175.6-50.2177.8000109.3A116 V137 T138 R144 F148 V155 V158A116-I146 HydrophobicContact CB-CD1 4.27Å; A116-I146 WeakPolarHBondContact O-CD1 3.38Å; V137-I146 CarbonylContact C-O 3.52Å; V137-I146 WeakPolarHBondContact CA-O 3.38Å; T138-I146 PolarHBondContact N-O 3.31Å; T138-I146 PolarHBondContact O-N 2.91Å; R144-I146 HydrophobicContact CB-CG1 4.44Å; I146-F148 HydrophobicContact CB-CE2 3.65Å; I146-F148 HydrophobicContact CB-CZ 3.82Å; I146-F148 HydrophobicContact CD1-CZ 4.4Å; I146-F148 HydrophobicContact CG2-CD1 4.39Å; I146-F148 HydrophobicContact CG2-CD2 4.07Å; I146-F148 HydrophobicContact CG2-CE1 3.81Å; I146-F148 HydrophobicContact CG2-CE2 3.4Å; I146-F148 VanDerWaalsContact CG2-CE2 3.4Å; I146-F148 HydrophobicContact CG2-CZ 3.26Å; I146-V155 HydrophobicContact CG2-CB 4.11Å; I146-V155 HydrophobicContact CG2-CG1 3.88Å; I146-V158 HydrophobicContact CG1-CG1 4.26Å; I146-V158 HydrophobicContact CG2-CG2 4.18Å
147V97.5Very high95.6Very high4 Ų439.1 Ų39.12%0.02420%0.203CC..EExtended strand (participates in β ladder)trans-103.9123.4175.2-168.70000108.5I136 V137 V156 R157 L192I136-V147 WeakPolarHBondContact O-CA 3.47Å; V137-V147 HydrophobicContact CG2-CG1 4.3Å; V137-V147 HydrophobicContact CG2-CG2 4.21Å; V147-V156 HydrophobicContact CB-CB 4.33Å; V147-V156 HydrophobicContact CG1-CB 4.26Å; V147-V156 WeakPolarHBondContact O-CB 3.26Å; V147-V156 PolarHBondContact O-N 3.23Å; V147-R157 HydrophobicContact CB-CB 4.09Å; V147-R157 HydrophobicContact CG2-CB 4.02Å; V147-R157 PolarHBondContact N-O 3.48Å; V147-R157 PolarHBondContact O-N 3.47Å; V147-L192 HydrophobicContact CG2-CD1 4.39Å; V147-L192 HydrophobicContact CG2-CD2 3.91Å
148F96.6Very high95.5Very high0 Ų041 Ų410%022%0.215CC..EExtended strand (participates in β ladder)trans-113.1158.8174.4-51.3-97.4000110V95 W113 A116 E135 I136 T138 I146 V155V95-F148 HydrophobicContact CG2-CE2 4.32Å; V95-F148 HydrophobicContact CG2-CZ 4.13Å; W113-F148 HydrophobicContact CB-CE1 4.17Å; W113-F148 AromaticContact CD2-CD1 3.6Å; W113-F148 HydrophobicContact CD2-CD1 3.6Å; W113-F148 AromaticContact CD2-CE1 3.65Å; W113-F148 HydrophobicContact CD2-CE1 3.65Å; W113-F148 AromaticContact CE2-CD1 3.5Å; W113-F148 AromaticContact CE2-CE1 3.95Å; W113-F148 AromaticContact CE3-CD1 3.88Å; W113-F148 HydrophobicContact CE3-CD1 3.88Å; W113-F148 HydrophobicContact CE3-CE1 4.04Å; W113-F148 HydrophobicContact CG-CD1 4.11Å; W113-F148 AromaticContact CG-CE1 3.71Å; W113-F148 HydrophobicContact CG-CE1 3.71Å; W113-F148 HydrophobicContact CH2-CB 3.94Å; W113-F148 AromaticContact CH2-CD1 3.92Å; W113-F148 HydrophobicContact CH2-CD1 3.92Å; W113-F148 HydrophobicContact CH2-CG 4.2Å; W113-F148 HydrophobicContact CZ2-CB 4.19Å; W113-F148 AromaticContact CZ2-CD1 3.66Å; W113-F148 HydrophobicContact CZ2-CD1 3.66Å; W113-F148 HydrophobicContact CZ2-CG 4.32Å; W113-F148 HydrophobicContact CZ3-CB 4.42Å; W113-F148 HydrophobicContact CZ3-CD1 4.04Å; W113-F148 HydrophobicContact CZ3-CG 4.32Å; W113-F148 AromaticContact NE1-CD1 3.99Å; A116-F148 HydrophobicContact CB-CE1 4.42Å; A116-F148 HydrophobicContact CB-CZ 3.87Å; E135-F148 WeakPolarHBondContact CA-O 3.48Å; I136-F148 HydrophobicContact CB-CB 4.29Å; I136-F148 HydrophobicContact CG2-CD2 4.49Å; I136-F148 PolarHBondContact N-O 3.29Å; I136-F148 PolarHBondContact O-N 3Å; T138-F148 HydrophobicContact CG2-CD2 4.3Å; T138-F148 HydrophobicContact CG2-CE2 3.82Å; T138-F148 WeakPolarHBondContact OG1-CE2 3.48Å; I146-F148 HydrophobicContact CB-CE2 3.65Å; I146-F148 HydrophobicContact CB-CZ 3.82Å; I146-F148 HydrophobicContact CD1-CZ 4.4Å; I146-F148 HydrophobicContact CG2-CD1 4.39Å; I146-F148 HydrophobicContact CG2-CD2 4.07Å; I146-F148 HydrophobicContact CG2-CE1 3.81Å; I146-F148 HydrophobicContact CG2-CE2 3.4Å; I146-F148 VanDerWaalsContact CG2-CE2 3.4Å; I146-F148 HydrophobicContact CG2-CZ 3.26Å; F148-V155 HydrophobicContact CD1-CG1 3.78Å; F148-V155 HydrophobicContact CE1-CG1 3.5Å; F148-V155 VanDerWaalsContact CE1-CG1 3.5Å; F148-V155 HydrophobicContact CZ-CG1 4.34Å
149R94.8Very high95.4Very high95 Ų9541 Ų4136%0.35822%0.215SC..EExtended strand (participates in β ladder)trans-127.8137.7164.7-175179.5175.7169.98.5108.6P134 D151 Q152 V156P134-R149 HydrophobicContact CB-CG 4.35Å; P134-R149 HydrophobicContact CG-CG 4.33Å; R149-D151 IonicContact CZ-OD2 2.98Å; R149-D151 IonicContact NE-OD2 3.74Å; R149-D151 PolarHBondContact NE-OD2 2.72Å; R149-D151 VanDerWaalsContact NE-OD2 3.11Å; R149-D151 IonicContact NH2-OD2 3.59Å; R149-D151 PolarHBondContact O-N 3.46Å; R149-Q152 HydrophobicContact CB-CB 4.29Å; R149-Q152 HydrophobicContact CB-CG 4.23Å; R149-Q152 HydrophobicContact CG-CG 4.46Å; R149-Q152 PolarHBondContact O-N 2.96Å; R149-Q152 VanDerWaalsContact O-O 3.11Å; R149-V156 HydrophobicContact CB-CG2 3.64Å
150V92.6Very high95.2Very high19 Ų1944.6 Ų44.612%0.11523%0.232CC..THydrogen-bonded Turntrans-60.7-38.8-172.7-175.20000111.3L81 I97 K111 P134 I136 Q152L81-V150 HydrophobicContact CD1-CG2 4.44Å; L81-V150 HydrophobicContact CD2-CB 4.47Å; L81-V150 HydrophobicContact CD2-CG1 4.49Å; L81-V150 HydrophobicContact CD2-CG2 3.31Å; L81-V150 HydrophobicContact CG-CG2 4.48Å; I97-V150 HydrophobicContact CD1-CB 4.5Å; I97-V150 HydrophobicContact CD1-CG1 4.07Å; I97-V150 HydrophobicContact CD1-CG2 4.17Å; K111-V150 PolarHBondContact NZ-O 3.03Å; P134-V150 VanDerWaalsContact O-CG2 3.28Å; P134-V150 WeakPolarHBondContact O-CG2 2.92Å; P134-V150 PolarHBondContact O-N 3.48Å; P134-V150 VanDerWaalsContact O-N 3.12Å; I136-V150 HydrophobicContact CD1-CG2 3.88Å; I136-V150 HydrophobicContact CG1-CG2 4.46Å; V150-Q152 VanDerWaalsContact C-N 3.27Å; V150-Q152 PolarHBondContact O-N 3.16Å
151D92.4Very high94.9Very high106 Ų10651 Ų5157%0.56727%0.266SS*.THydrogen-bonded Turntrans-74.7-9.9-178.4-42.4-46.4000114R149R149-D151 IonicContact CZ-OD2 2.98Å; R149-D151 IonicContact NE-OD2 3.74Å; R149-D151 PolarHBondContact NE-OD2 2.72Å; R149-D151 VanDerWaalsContact NE-OD2 3.11Å; R149-D151 IonicContact NH2-OD2 3.59Å; R149-D151 PolarHBondContact O-N 3.46Å
152Q92.8Very high94.8Very high78 Ų7847.9 Ų47.936%0.36425%0.252SS..  trans-118.1124.3-172.1-64.7-1768.600111.7K111 R149 V150K111-Q152 PolarHBondContact NZ-O 2.98Å; R149-Q152 HydrophobicContact CB-CB 4.29Å; R149-Q152 HydrophobicContact CB-CG 4.23Å; R149-Q152 HydrophobicContact CG-CG 4.46Å; R149-Q152 PolarHBondContact O-N 2.96Å; R149-Q152 VanDerWaalsContact O-O 3.11Å; V150-Q152 VanDerWaalsContact C-N 3.27Å; V150-Q152 PolarHBondContact O-N 3.16Å
153E88.5Confident94.7Very high172 Ų17247.4 Ų47.480%0.80425%0.25SC*.SBendtrans-63.3-43.7178.2-68.3-172.3170.700112.7W113W113-E153 PolarHBondContact NE1-O 2.77Å
154A91.1Very high94.6Very high72 Ų7253.2 Ų53.260%0.59529%0.29SS*.SBendtrans-74.1150.7175.400000111.3
155V93.8Very high94.5Very high61 Ų6154 Ų5437%0.3730%0.297SS..  trans-62.7140.7168.9-59.50000109.8I146 F148 V158I146-V155 HydrophobicContact CG2-CB 4.11Å; I146-V155 HydrophobicContact CG2-CG1 3.88Å; F148-V155 HydrophobicContact CD1-CG1 3.78Å; F148-V155 HydrophobicContact CE1-CG1 3.5Å; F148-V155 VanDerWaalsContact CE1-CG1 3.5Å; F148-V155 HydrophobicContact CZ-CG1 4.34Å; V155-V158 HydrophobicContact CB-CG2 4.38Å; V155-V158 HydrophobicContact CG2-CG2 3.68Å
156V94.4Very high94.4Very high66 Ų6655.5 Ų55.540%0.431%0.307SS..SBendtrans-73.8-46179.5178.30000109.7V147 R149V147-V156 HydrophobicContact CB-CB 4.33Å; V147-V156 HydrophobicContact CG1-CB 4.26Å; V147-V156 WeakPolarHBondContact O-CB 3.26Å; V147-V156 PolarHBondContact O-N 3.23Å; R149-V156 HydrophobicContact CB-CG2 3.64Å
157R94.9Very high94.4Very high40 Ų4055.4 Ų55.415%0.15131%0.306CS..EExtended strand (participates in β ladder)trans-152.7143-177.9-177.3175.8177.1-156.5-8.4110.6V147 D191 L192 Q194 S196V147-R157 HydrophobicContact CB-CB 4.09Å; V147-R157 HydrophobicContact CG2-CB 4.02Å; V147-R157 PolarHBondContact N-O 3.48Å; V147-R157 PolarHBondContact O-N 3.47Å; R157-D191 PolarHBondContact NH1-O 2.95Å; R157-D191 VanDerWaalsContact NH1-O 3.09Å; R157-L192 PolarHBondContact NH1-O 2.75Å; R157-Q194 PolarHBondContact NH1-O 3.13Å; R157-Q194 PolarHBondContact NH2-O 3.43Å; R157-S196 PolarHBondContact NH2-O 2.79Å
158V96.1Very high94.5Very high41 Ų4157.2 Ų57.225%0.24831%0.314CS..EExtended strand (participates in β ladder)trans-122.6125167.6-1750000108.1I146 V155 E160I146-V158 HydrophobicContact CG1-CG1 4.26Å; I146-V158 HydrophobicContact CG2-CG2 4.18Å; V155-V158 HydrophobicContact CB-CG2 4.38Å; V155-V158 HydrophobicContact CG2-CG2 3.68Å; V158-E160 HydrophobicContact CG1-CG 3.89Å; V158-E160 VanDerWaalsContact CG1-OE1 3.31Å; V158-E160 WeakPolarHBondContact CG1-OE1 3.46Å
159I96.9Very high94.5Very high0 Ų057.9 Ų57.90%032%0.32CS..EExtended strand (participates in β ladder)trans-93.894168.1-50.7-175000106.6R144 I145 A162 W190 N197R144-I159 WeakPolarHBondContact CA-O 3.29Å; I145-I159 HydrophobicContact CB-CB 4.09Å; I145-I159 HydrophobicContact CB-CD1 4.27Å; I145-I159 HydrophobicContact CB-CG1 4.34Å; I145-I159 HydrophobicContact CD1-CD1 4.4Å; I145-I159 PolarHBondContact N-O 2.76Å; I145-I159 PolarHBondContact O-N 2.86Å; I159-A162 HydrophobicContact CB-CB 4.29Å; I159-A162 HydrophobicContact CG2-CB 3.74Å; I159-W190 HydrophobicContact CD1-CE3 4.07Å; I159-W190 HydrophobicContact CG2-CE3 4.3Å; I159-W190 HydrophobicContact CG2-CZ3 3.91Å; I159-N197 HydrophobicContact CG2-CB 3.79Å
160E94.5Very high94.7Very high75 Ų7553.8 Ų53.835%0.3531%0.305SS..THydrogen-bonded Turntrans-72.7136.1178.3-68.8-69.5171.700110.5R144 V158 A162 N197R144-E160 WeakPolarHBondContact CD-OE2 3.3Å; R144-E160 IonicContact NH1-OE1 2.68Å; V158-E160 HydrophobicContact CG1-CG 3.89Å; V158-E160 VanDerWaalsContact CG1-OE1 3.31Å; V158-E160 WeakPolarHBondContact CG1-OE1 3.46Å; E160-A162 VanDerWaalsContact C-N 3.28Å; E160-A162 PolarHBondContact O-N 3.09Å; E160-N197 PolarHBondContact N-ND2 2.98Å; E160-N197 PolarHBondContact O-ND2 2.81Å; E160-N197 VanDerWaalsContact O-ND2 3.17Å
161N92.1Very high95Very high135 Ų13553.8 Ų53.872%0.72231%0.305SS*.THydrogen-bonded Turntrans52.443.7-177.7-50.4-66.9000112.9D163N161-D163 PolarHBondContact O-N 2.82Å
162A95.1Very high95.2Very high6 Ų649.7 Ų49.75%0.0528%0.282CS..SBendtrans-62.1-35.3176.500000111G143 I145 I159 E160 W190G143-A162 WeakPolarHBondContact O-CA 3.44Å; G143-A162 VanDerWaalsContact O-CB 3.27Å; G143-A162 WeakPolarHBondContact O-CB 3.39Å; G143-A162 PolarHBondContact O-N 2.96Å; I145-A162 HydrophobicContact CD1-CB 3.75Å; I145-A162 HydrophobicContact CG1-CB 3.76Å; I159-A162 HydrophobicContact CB-CB 4.29Å; I159-A162 HydrophobicContact CG2-CB 3.74Å; E160-A162 VanDerWaalsContact C-N 3.28Å; E160-A162 PolarHBondContact O-N 3.09Å; A162-W190 HydrophobicContact CB-CH2 3.56Å; A162-W190 HydrophobicContact CB-CZ2 3.78Å; A162-W190 HydrophobicContact CB-CZ3 4.16Å; A162-W190 WeakPolarHBondContact O-CH2 3.14Å; A162-W190 WeakPolarHBondContact O-CZ2 3.17Å
163D95.3Very high95.4Very high10 Ų1046.2 Ų46.25%0.05327%0.266CS..  trans-140.5149.6174-149.3-35.8000111.6G143 N161 S165 L167 N182 K188G143-D163 WeakPolarHBondContact CA-O 3.49Å; G143-D163 PolarHBondContact O-N 3.35Å; G143-D163 VanDerWaalsContact O-N 3.15Å; N161-D163 PolarHBondContact O-N 2.82Å; D163-S165 VanDerWaalsContact C-N 3.35Å; D163-S165 WeakPolarHBondContact CB-O 3.19Å; D163-S165 PolarHBondContact OD1-N 2.77Å; D163-L167 HydrophobicContact CB-CD2 3.71Å; D163-L167 HydrophobicContact CB-CG 4.14Å; D163-N182 PolarHBondContact OD2-ND2 3.42Å; D163-K188 IonicContact OD1-NZ 3.82Å; D163-K188 PolarHBondContact OD1-NZ 3.42Å; D163-K188 VanDerWaalsContact OD1-NZ 3.16Å; D163-K188 WeakPolarHBondContact OD2-CD 3.39Å; D163-K188 VanDerWaalsContact OD2-CE 3.24Å; D163-K188 WeakPolarHBondContact OD2-CE 3.22Å; D163-K188 IonicContact OD2-NZ 3.77Å; D163-K188 PolarHBondContact OD2-NZ 2.98Å
164S93.5Very high95.5Very high124 Ų12443.2 Ų43.287%0.86725%0.247SC*.SBendtrans-86.8-12170.156.70000112.4
165S94.7Very high95.5Very high26 Ų2644 Ų4418%0.18225%0.245CC..SBendtrans-108.5155.8175.6-63.10000110.3D163 L167D163-S165 VanDerWaalsContact C-N 3.35Å; D163-S165 WeakPolarHBondContact CB-O 3.19Å; D163-S165 PolarHBondContact OD1-N 2.77Å; S165-L167 PolarHBondContact O-N 3.32Å
166T96.9Very high95.5Very high33 Ų3342.9 Ų42.920%0.20224%0.238CC..  trans-56130175.6-69.80000110.7E141 N182 S183E141-T166 HydrophobicContact CB-CG2 4.19Å; E141-T166 HydrophobicContact CG-CG2 3.75Å; T166-N182 CarbonylContact O-C 3.6Å; T166-N182 WeakPolarHBondContact O-CA 3.42Å; T166-N182 VanDerWaalsContact O-CB 3.28Å; T166-N182 WeakPolarHBondContact O-CB 3.17Å; T166-S183 VanDerWaalsContact CB-OG 3.27Å; T166-S183 WeakPolarHBondContact CB-OG 3.49Å; T166-S183 PolarHBondContact O-N 3.37Å; T166-S183 PolarHBondContact O-OG 3.18Å
167L98.4Very high95.6Very high0 Ų041.1 Ų41.10%023%0.226CC..EExtended strand (participates in β ladder)trans-84.5131.7168.9-62.7177.7000107.9T127 V139 I145 D163 S165 V181 N182T127-L167 WeakPolarHBondContact CB-O 3.29Å; T127-L167 PolarHBondContact OG1-O 2.97Å; V139-L167 HydrophobicContact CB-CB 3.83Å; V139-L167 HydrophobicContact CB-CD1 3.93Å; V139-L167 HydrophobicContact CG1-CD1 3.93Å; V139-L167 HydrophobicContact CG2-CB 4.13Å; I145-L167 HydrophobicContact CD1-CD1 4.47Å; I145-L167 HydrophobicContact CG1-CD1 3.83Å; D163-L167 HydrophobicContact CB-CD2 3.71Å; D163-L167 HydrophobicContact CB-CG 4.14Å; S165-L167 PolarHBondContact O-N 3.32Å; L167-V181 WeakPolarHBondContact CA-O 3.5Å; L167-N182 HydrophobicContact CD2-CB 4.05Å
168H98.4Very high95.7Very high42 Ų4239.2 Ų39.219%0.19422%0.218CC..EExtended strand (participates in β ladder)trans-101.8-42.2-177.8-73.1-62.7000113T127 V181 S183 L212 Y213T127-H168 CarbonylContact C-O 3.57Å; H168-V181 HydrophobicContact CB-CG2 4.49Å; H168-V181 PolarHBondContact N-O 3.02Å; H168-S183 PolarHBondContact CD2-OG 2.93Å; H168-S183 WeakPolarHBondContact NE2-CB 3.27Å; H168-S183 PolarHBondContact NE2-OG 3.4Å; H168-L212 WeakPolarHBondContact CB-O 3.36Å; H168-L212 PolarHBondContact CD2-O 3.43Å; H168-Y213 HydrophobicContact CB-CD1 4.39Å; H168-Y213 AromaticContact CD2-CD1 3.8Å; H168-Y213 AromaticContact CE1-CD1 3.92Å; H168-Y213 AromaticContact CE1-CE1 3.73Å; H168-Y213 AromaticContact CG-CD1 3.8Å; H168-Y213 AromaticContact ND1-CD1 3.86Å; H168-Y213 AromaticContact NE2-CD1 3.9Å; H168-Y213 AromaticContact NE2-CE1 3.67Å
169A98.4Very high95.8Very high15 Ų1537.3 Ų37.312%0.12421%0.207CC..EExtended strand (participates in β ladder)trans-145.8161-179.800000112.1T180 V181 Y213 V215A169-T180 WeakPolarHBondContact O-CA 3.3Å; A169-V181 HydrophobicContact CB-CG2 3.77Å; A169-V181 PolarHBondContact O-N 3.28Å; A169-Y213 WeakPolarHBondContact CB-O 3.48Å; A169-V215 HydrophobicContact CB-CG1 4.03Å
170V98.6Very high95.9Very high8 Ų837.3 Ų37.35%0.04821%0.207CC..EExtended strand (participates in β ladder)trans-139.6142.1178.9610000110.2A130 V137 V139 V178 L179 T180A130-V170 HydrophobicContact CB-CG1 4.04Å; V137-V170 HydrophobicContact CG1-CG2 3.88Å; V139-V170 HydrophobicContact CG1-CB 3.78Å; V139-V170 HydrophobicContact CG1-CG1 4.05Å; V139-V170 HydrophobicContact CG1-CG2 4.21Å; V139-V170 HydrophobicContact CG2-CB 4.05Å; V139-V170 HydrophobicContact CG2-CG1 3.95Å; V170-V178 HydrophobicContact CG2-CB 4Å; V170-V178 HydrophobicContact CG2-CG2 4.38Å; V170-L179 CarbonylContact C-O 3.06Å; V170-L179 VanDerWaalsContact CA-O 3.29Å; V170-L179 WeakPolarHBondContact CA-O 3.36Å; V170-T180 HydrophobicContact CB-CG2 4.25Å; V170-T180 HydrophobicContact CG2-CG2 3.95Å
171T98.3Very high96Very high19 Ų1933.8 Ų33.812%0.11719%0.19CC..EExtended strand (participates in β ladder)trans-140.6152.4172.2-170.10000111V178 L179 V215T171-V178 CarbonylContact O-C 3.54Å; T171-V178 VanDerWaalsContact O-CA 3.27Å; T171-V178 WeakPolarHBondContact O-CA 3.44Å; T171-L179 HydrophobicContact CG2-CB 4.21Å; T171-L179 PolarHBondContact N-O 3.42Å; T171-L179 PolarHBondContact O-N 3.38Å; T171-V215 HydrophobicContact CG2-CB 4.46Å; T171-V215 HydrophobicContact CG2-CG1 3.92Å; T171-V215 HydrophobicContact CG2-CG2 3.79Å
172Y97.7Very high96.3Very high21 Ų2127.4 Ų27.48%0.08216%0.156CC..EExtended strand (participates in β ladder)trans-79.7124.6171.9-78-82.8000110.4A130 N132 V137 R174 V178 L192 R217A130-Y172 HydrophobicContact CB-CD2 3.73Å; A130-Y172 HydrophobicContact CB-CE2 3.84Å; A130-Y172 WeakPolarHBondContact O-CE2 3.42Å; N132-Y172 HydrophobicContact CB-CD1 4.45Å; N132-Y172 HydrophobicContact CB-CD2 3.83Å; N132-Y172 HydrophobicContact CB-CE1 4.14Å; N132-Y172 HydrophobicContact CB-CE2 3.5Å; N132-Y172 VanDerWaalsContact CB-CE2 3.5Å; N132-Y172 HydrophobicContact CB-CG 4.29Å; V137-Y172 HydrophobicContact CG2-CE1 4.21Å; V137-Y172 HydrophobicContact CG2-CE2 4.43Å; V137-Y172 VanDerWaalsContact CG2-OH 3.22Å; V137-Y172 WeakPolarHBondContact CG2-OH 3.23Å; Y172-R174 WeakPolarHBondContact CD1-O 3.35Å; Y172-V178 HydrophobicContact CD1-CG1 3.5Å; Y172-V178 VanDerWaalsContact CD1-CG1 3.5Å; Y172-V178 HydrophobicContact CE1-CG1 3.66Å; Y172-V178 HydrophobicContact CG-CG1 4.07Å; Y172-L192 HydrophobicContact CE1-CD1 4.06Å; Y172-R217 WeakPolarHBondContact O-CD 3.47Å; Y172-R217 PolarHBondContact O-NE 3.1Å
173L95Very high96.4Very high5 Ų528.7 Ų28.73%0.02617%0.165CC..EExtended strand (participates in β ladder)trans-77.9-44.4163.3-67.2-164.2000111.5E177 L179 L189 R217 Q222 V225 V239L173-E177 HydrophobicContact CB-CB 4.36Å; L173-E177 PolarHBondContact N-O 2.79Å; L173-L179 HydrophobicContact CD1-CD1 4.4Å; L173-L179 HydrophobicContact CD2-CB 4.23Å; L173-L179 HydrophobicContact CG-CB 4.12Å; L173-L189 HydrophobicContact CD1-CD1 3.51Å; L173-L189 HydrophobicContact CG-CD1 4.22Å; L173-R217 HydrophobicContact CD2-CB 4.48Å; L173-R217 HydrophobicContact CD2-CG 4.17Å; L173-R217 WeakPolarHBondContact O-CD 3.24Å; L173-Q222 WeakPolarHBondContact O-CG 3.29Å; L173-V225 HydrophobicContact CD2-CG1 3.5Å; L173-V239 HydrophobicContact CD1-CG1 4.33Å; L173-V239 HydrophobicContact CD1-CG2 4.26Å
174R92.2Very high96.4Very high108 Ų10829.9 Ų29.941%0.40817%0.171SC..EExtended strand (participates in β ladder)trans-143.7169.3178.3-53.3-169.6-177.6116.12.3107.9Y172 T176 E177 Q222Y172-R174 WeakPolarHBondContact CD1-O 3.35Å; R174-T176 PolarHBondContact O-N 3.15Å; R174-E177 HydrophobicContact CB-CB 4.21Å; R174-E177 WeakPolarHBondContact CD-OE2 3.4Å; R174-E177 VanDerWaalsContact CG-OE2 3.3Å; R174-E177 WeakPolarHBondContact CG-OE2 3.33Å; R174-E177 IonicContact CZ-OE2 3.48Å; R174-E177 VanDerWaalsContact CZ-OE2 3.32Å; R174-E177 PolarHBondContact N-O 3.07Å; R174-E177 IonicContact NE-OE2 3.87Å; R174-E177 PolarHBondContact NE-OE2 3.47Å; R174-E177 VanDerWaalsContact NH1-CD 3.31Å; R174-E177 IonicContact NH1-OE1 2.98Å; R174-E177 PolarHBondContact NH1-OE1 2.95Å; R174-E177 IonicContact NH1-OE2 3.31Å; R174-E177 PolarHBondContact NH1-OE2 3.38Å; R174-E177 PolarHBondContact O-N 3.1Å; R174-Q222 VanDerWaalsContact NE-OE1 3.08Å
175T91.4Very high96.4Very high88 Ų8824.1 Ų24.154%0.5413%0.131SC..THydrogen-bonded Turntrans-53-30.218054.10000114
176T92.9Very high96.5Very high39 Ų3925.1 Ų25.124%0.23913%0.133CC..THydrogen-bonded Turntrans-111.97-178.964.10000113.8R174 L192 R193R174-T176 PolarHBondContact O-N 3.15Å; T176-L192 PolarHBondContact O-N 2.85Å; T176-R193 HydrophobicContact CG2-CG 4.21Å
177E95.9Very high96.4Very high28 Ų2823.5 Ų23.513%0.13112%0.123CC..EExtended strand (participates in β ladder)trans-133.7129-175-69.6173.6159.200110.7L173 R174 L189 W190L173-E177 HydrophobicContact CB-CB 4.36Å; L173-E177 PolarHBondContact N-O 2.79Å; R174-E177 HydrophobicContact CB-CB 4.21Å; R174-E177 WeakPolarHBondContact CD-OE2 3.4Å; R174-E177 VanDerWaalsContact CG-OE2 3.3Å; R174-E177 WeakPolarHBondContact CG-OE2 3.33Å; R174-E177 IonicContact CZ-OE2 3.48Å; R174-E177 VanDerWaalsContact CZ-OE2 3.32Å; R174-E177 PolarHBondContact N-O 3.07Å; R174-E177 IonicContact NE-OE2 3.87Å; R174-E177 PolarHBondContact NE-OE2 3.47Å; R174-E177 VanDerWaalsContact NH1-CD 3.31Å; R174-E177 IonicContact NH1-OE1 2.98Å; R174-E177 PolarHBondContact NH1-OE1 2.95Å; R174-E177 IonicContact NH1-OE2 3.31Å; R174-E177 PolarHBondContact NH1-OE2 3.38Å; R174-E177 PolarHBondContact O-N 3.1Å; E177-L189 HydrophobicContact CB-CD1 4.23Å; E177-W190 VanDerWaalsContact CA-O 3.27Å; E177-W190 WeakPolarHBondContact CA-O 3.23Å
178V97.8Very high96.3Very high0 Ų024.4 Ų24.40%013%0.127CC..EExtended strand (participates in β ladder)trans-122.3148178.5-61.60000111V137 V170 T171 Y172 L189 W190 L192V137-V178 HydrophobicContact CG1-CG1 4.39Å; V137-V178 HydrophobicContact CG2-CG1 4.21Å; V170-V178 HydrophobicContact CG2-CB 4Å; V170-V178 HydrophobicContact CG2-CG2 4.38Å; T171-V178 CarbonylContact O-C 3.54Å; T171-V178 VanDerWaalsContact O-CA 3.27Å; T171-V178 WeakPolarHBondContact O-CA 3.44Å; Y172-V178 HydrophobicContact CD1-CG1 3.5Å; Y172-V178 VanDerWaalsContact CD1-CG1 3.5Å; Y172-V178 HydrophobicContact CE1-CG1 3.66Å; Y172-V178 HydrophobicContact CG-CG1 4.07Å; V178-L189 WeakPolarHBondContact O-CD1 3.33Å; V178-W190 HydrophobicContact CG2-CB 3.82Å; V178-W190 HydrophobicContact CG2-CG 4.4Å; V178-W190 PolarHBondContact N-O 2.74Å; V178-W190 PolarHBondContact O-N 2.84Å; V178-L192 HydrophobicContact CG1-CD1 3.98Å; V178-L192 HydrophobicContact CG1-CD2 4.45Å; V178-L192 HydrophobicContact CG1-CG 4.37Å; V178-L192 HydrophobicContact CG2-CD2 3.79Å; V178-L192 HydrophobicContact CG2-CG 4.38Å
179L98Very high96.3Very high1 Ų123.3 Ų23.31%0.00512%0.123CC..EExtended strand (participates in β ladder)trans-110.6133.6172.5-160.276.9000108.9V170 T171 L173 L187 K188 L189 V215 V225V170-L179 CarbonylContact C-O 3.06Å; V170-L179 VanDerWaalsContact CA-O 3.29Å; V170-L179 WeakPolarHBondContact CA-O 3.36Å; T171-L179 HydrophobicContact CG2-CB 4.21Å; T171-L179 PolarHBondContact N-O 3.42Å; T171-L179 PolarHBondContact O-N 3.38Å; L173-L179 HydrophobicContact CD1-CD1 4.4Å; L173-L179 HydrophobicContact CD2-CB 4.23Å; L173-L179 HydrophobicContact CG-CB 4.12Å; L179-L187 HydrophobicContact CD1-CB 4.27Å; L179-L187 HydrophobicContact CD2-CB 4.15Å; L179-L187 HydrophobicContact CD2-CD2 3.75Å; L179-L187 HydrophobicContact CD2-CG 4.41Å; L179-L187 HydrophobicContact CG-CB 4.23Å; L179-K188 CarbonylContact C-O 3.55Å; L179-K188 WeakPolarHBondContact CA-O 3.37Å; L179-L189 HydrophobicContact CD1-CB 3.94Å; L179-L189 HydrophobicContact CD1-CD1 4.3Å; L179-V215 HydrophobicContact CD2-CG2 4.09Å; L179-V225 HydrophobicContact CD2-CB 4.34Å; L179-V225 HydrophobicContact CD2-CG1 4.07Å; L179-V225 HydrophobicContact CD2-CG2 3.9Å
180T98.5Very high96.2Very high1 Ų122.8 Ų22.81%0.00612%0.117CC..EExtended strand (participates in β ladder)trans-117.7146.9175.660.90000110.6V139 I145 A169 V170 L187 K188 W190V139-T180 HydrophobicContact CG1-CG2 3.92Å; I145-T180 HydrophobicContact CD1-CG2 3.77Å; I145-T180 HydrophobicContact CG1-CG2 4.3Å; A169-T180 WeakPolarHBondContact O-CA 3.3Å; V170-T180 HydrophobicContact CB-CG2 4.25Å; V170-T180 HydrophobicContact CG2-CG2 3.95Å; T180-L187 CarbonylContact O-C 3.57Å; T180-L187 VanDerWaalsContact O-CA 3.29Å; T180-L187 WeakPolarHBondContact O-CA 3.5Å; T180-K188 PolarHBondContact N-O 3.49Å; T180-K188 PolarHBondContact O-N 3.07Å; T180-K188 PolarHBondContact OG1-O 3.3Å; T180-W190 PolarHBondContact OG1-NE1 3.45Å
181V98Very high96.1Very high0 Ų023.3 Ų23.30%012%0.12CC..EExtended strand (participates in β ladder)trans-117.3150.5172.2-60.50000111.4L167 H168 A169 Q186 L187 L212 V215 T227L167-V181 WeakPolarHBondContact CA-O 3.5Å; H168-V181 HydrophobicContact CB-CG2 4.49Å; H168-V181 PolarHBondContact N-O 3.02Å; A169-V181 HydrophobicContact CB-CG2 3.77Å; A169-V181 PolarHBondContact O-N 3.28Å; V181-Q186 WeakPolarHBondContact CA-O 3.28Å; V181-L187 HydrophobicContact CG1-CG 3.94Å; V181-L212 HydrophobicContact CB-CB 3.8Å; V181-L212 HydrophobicContact CB-CD1 4.43Å; V181-L212 HydrophobicContact CG1-CB 4.37Å; V181-L212 HydrophobicContact CG1-CD1 4.29Å; V181-L212 HydrophobicContact CG2-CB 4.24Å; V181-V215 HydrophobicContact CG1-CB 3.82Å; V181-V215 HydrophobicContact CG1-CG1 4.06Å; V181-V215 HydrophobicContact CG1-CG2 4.31Å; V181-V215 HydrophobicContact CG2-CB 4.4Å; V181-V215 HydrophobicContact CG2-CG1 4.18Å; V181-T227 HydrophobicContact CG1-CG2 4.14Å
182N97.5Very high95.9Very high1 Ų123.4 Ų23.41%0.00512%0.12CC..EExtended strand (participates in β ladder)trans-136.2173.6-170.675.38.9000114D163 T166 L167 I184 G185 Q186 L212D163-N182 PolarHBondContact OD2-ND2 3.42Å; T166-N182 CarbonylContact O-C 3.6Å; T166-N182 WeakPolarHBondContact O-CA 3.42Å; T166-N182 VanDerWaalsContact O-CB 3.28Å; T166-N182 WeakPolarHBondContact O-CB 3.17Å; L167-N182 HydrophobicContact CD2-CB 4.05Å; N182-I184 WeakPolarHBondContact ND2-CG1 3.47Å; N182-I184 PolarHBondContact O-N 2.99Å; N182-I184 WeakPolarHBondContact OD1-CG1 3.4Å; N182-I184 PolarHBondContact OD1-N 2.9Å; N182-I184 VanDerWaalsContact OD1-N 3.09Å; N182-G185 PolarHBondContact O-N 3.39Å; N182-G185 PolarHBondContact OD1-N 3.27Å; N182-Q186 PolarHBondContact N-O 3.07Å; N182-Q186 PolarHBondContact ND2-OE1 2.85Å; N182-Q186 WeakPolarHBondContact OD1-CB 3.18Å; N182-Q186 PolarHBondContact OD1-N 2.59Å; N182-L212 PolarHBondContact O-N 3.26Å; N182-L212 VanDerWaalsContact O-N 3.11Å
183S96.6Very high95.6Very high34 Ų3430 Ų3024%0.23815%0.145CC..THydrogen-bonded Turntrans-70.73.8-177.8-41.40000115.7T166 H168 P211T166-S183 VanDerWaalsContact CB-OG 3.27Å; T166-S183 WeakPolarHBondContact CB-OG 3.49Å; T166-S183 PolarHBondContact O-N 3.37Å; T166-S183 PolarHBondContact O-OG 3.18Å; H168-S183 PolarHBondContact CD2-OG 2.93Å; H168-S183 WeakPolarHBondContact NE2-CB 3.27Å; H168-S183 PolarHBondContact NE2-OG 3.4Å; S183-P211 WeakPolarHBondContact O-CG 3.26Å
184I95.2Very high95.5Very high35 Ų3533.2 Ų33.218%0.17916%0.159CC..THydrogen-bonded Turntrans-122.216.7177.660.6164.9000112.2N182 Q186 R209N182-I184 WeakPolarHBondContact ND2-CG1 3.47Å; N182-I184 PolarHBondContact O-N 2.99Å; N182-I184 WeakPolarHBondContact OD1-CG1 3.4Å; N182-I184 PolarHBondContact OD1-N 2.9Å; N182-I184 VanDerWaalsContact OD1-N 3.09Å; I184-Q186 HydrophobicContact CD1-CG 4.15Å; I184-Q186 HydrophobicContact CG1-CG 4.04Å; I184-R209 HydrophobicContact CB-CB 4.35Å; I184-R209 WeakPolarHBondContact O-CA 3.5Å
185G94.7Very high95.2Very high3 Ų337.3 Ų37.33%0.03118%0.183CC..SBendtrans77.126.6172.600000115N182 S204 V210N182-G185 PolarHBondContact O-N 3.39Å; N182-G185 PolarHBondContact OD1-N 3.27Å; G185-S204 WeakPolarHBondContact O-CA 3.42Å; G185-S204 WeakPolarHBondContact O-CB 3.47Å; G185-V210 WeakPolarHBondContact CA-O 3.39Å; G185-V210 PolarHBondContact N-O 2.87Å; G185-V210 VanDerWaalsContact N-O 3.11Å
186Q95.3Very high95.2Very high46 Ų4636 Ų3622%0.21518%0.178CC..EExtended strand (participates in β ladder)trans-105.2141.4178.3-60.7179.7-25.300111.5V181 N182 I184 I202 L203V181-Q186 WeakPolarHBondContact CA-O 3.28Å; N182-Q186 PolarHBondContact N-O 3.07Å; N182-Q186 PolarHBondContact ND2-OE1 2.85Å; N182-Q186 WeakPolarHBondContact OD1-CB 3.18Å; N182-Q186 PolarHBondContact OD1-N 2.59Å; I184-Q186 HydrophobicContact CD1-CG 4.15Å; I184-Q186 HydrophobicContact CG1-CG 4.04Å; Q186-I202 HydrophobicContact CB-CG2 4.26Å; Q186-I202 HydrophobicContact CG-CG2 4.36Å; Q186-L203 CarbonylContact C-O 3.5Å; Q186-L203 VanDerWaalsContact CA-O 3.29Å; Q186-L203 WeakPolarHBondContact CA-O 3.32Å
187L96.3Very high95.1Very high0 Ų037.4 Ų37.40%018%0.183CC..EExtended strand (participates in β ladder)trans-103.7126.7164.6-54.568.5000107.1L179 T180 V181 I202 L203 L212 V225 T227 W237L179-L187 HydrophobicContact CD1-CB 4.27Å; L179-L187 HydrophobicContact CD2-CB 4.15Å; L179-L187 HydrophobicContact CD2-CD2 3.75Å; L179-L187 HydrophobicContact CD2-CG 4.41Å; L179-L187 HydrophobicContact CG-CB 4.23Å; T180-L187 CarbonylContact O-C 3.57Å; T180-L187 VanDerWaalsContact O-CA 3.29Å; T180-L187 WeakPolarHBondContact O-CA 3.5Å; V181-L187 HydrophobicContact CG1-CG 3.94Å; L187-I202 WeakPolarHBondContact O-CA 3.4Å; L187-L203 HydrophobicContact CB-CB 4.14Å; L187-L203 HydrophobicContact CB-CD1 4.34Å; L187-L203 HydrophobicContact CD1-CB 4.42Å; L187-L203 HydrophobicContact CD2-CD1 4.36Å; L187-L203 PolarHBondContact N-O 3.14Å; L187-L203 PolarHBondContact O-N 2.78Å; L187-L212 HydrophobicContact CD1-CD1 3.47Å; L187-L212 VanDerWaalsContact CD1-CD1 3.47Å; L187-L212 HydrophobicContact CG-CD1 4.2Å; L187-V225 HydrophobicContact CD2-CG2 4.01Å; L187-T227 HydrophobicContact CD2-CG2 3.72Å; L187-T227 HydrophobicContact CG-CG2 4.2Å; L187-W237 HydrophobicContact CD1-CD2 4.08Å; L187-W237 HydrophobicContact CD1-CE3 4.27Å; L187-W237 HydrophobicContact CD1-CH2 3.68Å; L187-W237 HydrophobicContact CD1-CZ2 3.43Å; L187-W237 VanDerWaalsContact CD1-CZ2 3.43Å; L187-W237 HydrophobicContact CD1-CZ3 4.08Å; L187-W237 HydrophobicContact CD2-CD2 3.84Å; L187-W237 HydrophobicContact CD2-CE3 4.46Å; L187-W237 HydrophobicContact CD2-CG 3.88Å
188K96.7Very high95Very high18 Ų1838.7 Ų38.78%0.07820%0.196CC..EExtended strand (participates in β ladder)trans-117.5127.7178.5-67.6-177.1173.4171.80110D163 L179 T180 W190 P199 Q201 I202D163-K188 IonicContact OD1-NZ 3.82Å; D163-K188 PolarHBondContact OD1-NZ 3.42Å; D163-K188 VanDerWaalsContact OD1-NZ 3.16Å; D163-K188 WeakPolarHBondContact OD2-CD 3.39Å; D163-K188 VanDerWaalsContact OD2-CE 3.24Å; D163-K188 WeakPolarHBondContact OD2-CE 3.22Å; D163-K188 IonicContact OD2-NZ 3.77Å; D163-K188 PolarHBondContact OD2-NZ 2.98Å; L179-K188 CarbonylContact C-O 3.55Å; L179-K188 WeakPolarHBondContact CA-O 3.37Å; T180-K188 PolarHBondContact N-O 3.49Å; T180-K188 PolarHBondContact O-N 3.07Å; T180-K188 PolarHBondContact OG1-O 3.3Å; K188-W190 HydrophobicContact CB-CZ2 4.06Å; K188-W190 HydrophobicContact CD-CZ2 3.9Å; K188-W190 PolarHBondContact O-NE1 2.97Å; K188-P199 HydrophobicContact CB-CB 4.03Å; K188-P199 HydrophobicContact CD-CB 4.46Å; K188-P199 HydrophobicContact CD-CG 4.27Å; K188-P199 HydrophobicContact CG-CB 4.4Å; K188-Q201 WeakPolarHBondContact CA-O 3.48Å; K188-I202 HydrophobicContact CG-CG1 4.2Å; K188-I202 HydrophobicContact CG-CG2 4.25Å
189L96.6Very high94.9Very high19 Ų1940.3 Ų40.310%0.09921%0.206CC..EExtended strand (participates in β ladder)trans-94.4132177179.458.1000110.3L173 E177 V178 L179 P199 S200 Q201L173-L189 HydrophobicContact CD1-CD1 3.51Å; L173-L189 HydrophobicContact CG-CD1 4.22Å; E177-L189 HydrophobicContact CB-CD1 4.23Å; V178-L189 WeakPolarHBondContact O-CD1 3.33Å; L179-L189 HydrophobicContact CD1-CB 3.94Å; L179-L189 HydrophobicContact CD1-CD1 4.3Å; L189-P199 CarbonylContact O-C 3.59Å; L189-P199 WeakPolarHBondContact O-CA 3.34Å; L189-P199 WeakPolarHBondContact O-CB 3.38Å; L189-S200 PolarHBondContact O-N 3.29Å; L189-Q201 HydrophobicContact CB-CB 4.06Å; L189-Q201 HydrophobicContact CD2-CB 4.37Å; L189-Q201 PolarHBondContact N-O 3.42Å
190W97.4Very high94.7Very high4 Ų443 Ų432%0.01523%0.225CC..EExtended strand (participates in β ladder)trans-127.3127.3-177-54.889.7000110.4I145 I159 A162 E177 V178 T180 K188 N197 P199I145-W190 HydrophobicContact CD1-CD2 3.57Å; I145-W190 HydrophobicContact CD1-CE3 4.23Å; I145-W190 HydrophobicContact CD1-CG 3.76Å; I145-W190 HydrophobicContact CD1-CZ2 3.89Å; I159-W190 HydrophobicContact CD1-CE3 4.07Å; I159-W190 HydrophobicContact CG2-CE3 4.3Å; I159-W190 HydrophobicContact CG2-CZ3 3.91Å; A162-W190 HydrophobicContact CB-CH2 3.56Å; A162-W190 HydrophobicContact CB-CZ2 3.78Å; A162-W190 HydrophobicContact CB-CZ3 4.16Å; A162-W190 WeakPolarHBondContact O-CH2 3.14Å; A162-W190 WeakPolarHBondContact O-CZ2 3.17Å; E177-W190 VanDerWaalsContact CA-O 3.27Å; E177-W190 WeakPolarHBondContact CA-O 3.23Å; V178-W190 HydrophobicContact CG2-CB 3.82Å; V178-W190 HydrophobicContact CG2-CG 4.4Å; V178-W190 PolarHBondContact N-O 2.74Å; V178-W190 PolarHBondContact O-N 2.84Å; T180-W190 PolarHBondContact OG1-NE1 3.45Å; K188-W190 HydrophobicContact CB-CZ2 4.06Å; K188-W190 HydrophobicContact CD-CZ2 3.9Å; K188-W190 PolarHBondContact O-NE1 2.97Å; W190-N197 WeakPolarHBondContact CZ3-O 3.42Å; W190-P199 HydrophobicContact CD2-CB 4.18Å; W190-P199 HydrophobicContact CE3-CB 4.23Å; W190-P199 HydrophobicContact CH2-CB 3.97Å; W190-P199 HydrophobicContact CH2-CG 4.17Å; W190-P199 HydrophobicContact CZ2-CB 3.93Å; W190-P199 HydrophobicContact CZ2-CG 4.38Å; W190-P199 HydrophobicContact CZ3-CB 4.13Å; W190-P199 VanDerWaalsContact CZ3-N 3.29Å
191D95.5Very high94.5Very high19 Ų1945.9 Ų45.910%0.10224%0.239CC..EExtended strand (participates in β ladder)trans-90.3115.9166.3-176.1-19.9000108.8R157 R193 Q194R157-D191 PolarHBondContact NH1-O 2.95Å; R157-D191 VanDerWaalsContact NH1-O 3.09Å; D191-R193 PolarHBondContact O-N 2.94Å; D191-R193 VanDerWaalsContact O-N 3.12Å; D191-R193 VanDerWaalsContact OD1-CB 3.29Å; D191-R193 WeakPolarHBondContact OD1-CB 3.35Å; D191-R193 IonicContact OD1-CZ 3.7Å; D191-R193 PolarHBondContact OD1-N 2.83Å; D191-R193 IonicContact OD1-NE 2.67Å; D191-R193 PolarHBondContact OD1-NE 2.84Å; D191-R193 IonicContact OD1-NH2 2.8Å; D191-R193 IonicContact OD2-CZ 3.23Å; D191-R193 IonicContact OD2-NE 3.8Å; D191-R193 PolarHBondContact OD2-NE 3.32Å; D191-R193 IonicContact OD2-NH2 2.72Å; D191-R193 PolarHBondContact OD2-NH2 3.02Å; D191-Q194 HydrophobicContact CB-CB 4.38Å; D191-Q194 HydrophobicContact CB-CG 3.76Å; D191-Q194 PolarHBondContact O-N 2.91Å; D191-Q194 VanDerWaalsContact O-N 3.15Å
192L94.3Very high94.3Very high22 Ų2249.3 Ų49.312%0.11526%0.256CS..THydrogen-bonded Turntrans-66.9-12.2-176.4-61.3-177.2000113V137 V147 R157 Y172 T176 V178V137-L192 HydrophobicContact CG2-CD1 3.98Å; V147-L192 HydrophobicContact CG2-CD1 4.39Å; V147-L192 HydrophobicContact CG2-CD2 3.91Å; R157-L192 PolarHBondContact NH1-O 2.75Å; Y172-L192 HydrophobicContact CE1-CD1 4.06Å; T176-L192 PolarHBondContact O-N 2.85Å; V178-L192 HydrophobicContact CG1-CD1 3.98Å; V178-L192 HydrophobicContact CG1-CD2 4.45Å; V178-L192 HydrophobicContact CG1-CG 4.37Å; V178-L192 HydrophobicContact CG2-CD2 3.79Å; V178-L192 HydrophobicContact CG2-CG 4.38Å
193R92.7Very high94.1Very high160 Ų16049.5 Ų49.560%0.60426%0.257SS*.THydrogen-bonded Turntrans-91.6-22.3176.6-53.9167.2-64.5-179.46.7113.2T176 D191T176-R193 HydrophobicContact CG2-CG 4.21Å; D191-R193 PolarHBondContact O-N 2.94Å; D191-R193 VanDerWaalsContact O-N 3.12Å; D191-R193 VanDerWaalsContact OD1-CB 3.29Å; D191-R193 WeakPolarHBondContact OD1-CB 3.35Å; D191-R193 IonicContact OD1-CZ 3.7Å; D191-R193 PolarHBondContact OD1-N 2.83Å; D191-R193 IonicContact OD1-NE 2.67Å; D191-R193 PolarHBondContact OD1-NE 2.84Å; D191-R193 IonicContact OD1-NH2 2.8Å; D191-R193 IonicContact OD2-CZ 3.23Å; D191-R193 IonicContact OD2-NE 3.8Å; D191-R193 PolarHBondContact OD2-NE 3.32Å; D191-R193 IonicContact OD2-NH2 2.72Å; D191-R193 PolarHBondContact OD2-NH2 3.02Å
194Q91.8Very high93.9Very high71 Ų7149.8 Ų49.833%0.33226%0.259SS..  trans-66.3137179.3-73.7177.314.500109.6R157 D191 S196 S200R157-Q194 PolarHBondContact NH1-O 3.13Å; R157-Q194 PolarHBondContact NH2-O 3.43Å; D191-Q194 HydrophobicContact CB-CB 4.38Å; D191-Q194 HydrophobicContact CB-CG 3.76Å; D191-Q194 PolarHBondContact O-N 2.91Å; D191-Q194 VanDerWaalsContact O-N 3.15Å; Q194-S196 VanDerWaalsContact C-N 3.29Å; Q194-S200 PolarHBondContact NE2-OG 3.49Å; Q194-S200 PolarHBondContact OE1-OG 3.07Å
195Q85.9Confident93.2Very high194 Ų19450.1 Ų50.191%0.90726%0.261SS*.SBendtrans-79.5-15.3176.9-66.7-175.2000113.1
196S90.8Very high91.9Very high61 Ų6153.2 Ų53.243%0.42728%0.283SS..SBendtrans-70.1147.3177.1-1710000111.3R157 Q194 S198R157-S196 PolarHBondContact NH2-O 2.79Å; Q194-S196 VanDerWaalsContact C-N 3.29Å; S196-S198 PolarHBondContact O-N 3.38Å; S196-S198 PolarHBondContact OG-N 2.85Å; S196-S198 PolarHBondContact OG-OG 3.05Å
197N92.8Very high90.3Very high68 Ų6862.4 Ų62.436%0.36432%0.315SS..SBendtrans-91.923.9170.4-66.3-6.1000112.3I159 E160 W190I159-N197 HydrophobicContact CG2-CB 3.79Å; E160-N197 PolarHBondContact N-ND2 2.98Å; E160-N197 PolarHBondContact O-ND2 2.81Å; E160-N197 VanDerWaalsContact O-ND2 3.17Å; W190-N197 WeakPolarHBondContact CZ3-O 3.42Å
198S93.4Very high89.1Confident55 Ų5569.2 Ų69.239%0.38535%0.352SS..SBendtrans-103.8141.6176.759.80000111S196S196-S198 PolarHBondContact O-N 3.38Å; S196-S198 PolarHBondContact OG-N 2.85Å; S196-S198 PolarHBondContact OG-OG 3.05Å
199P95.4Very high88.6Confident34 Ų3476.8 Ų76.822%0.22138%0.38CS..  trans-66.4146.8173.330-34.5000110.1K188 L189 W190 I202K188-P199 HydrophobicContact CB-CB 4.03Å; K188-P199 HydrophobicContact CD-CB 4.46Å; K188-P199 HydrophobicContact CD-CG 4.27Å; K188-P199 HydrophobicContact CG-CB 4.4Å; L189-P199 CarbonylContact O-C 3.59Å; L189-P199 WeakPolarHBondContact O-CA 3.34Å; L189-P199 WeakPolarHBondContact O-CB 3.38Å; W190-P199 HydrophobicContact CD2-CB 4.18Å; W190-P199 HydrophobicContact CE3-CB 4.23Å; W190-P199 HydrophobicContact CH2-CB 3.97Å; W190-P199 HydrophobicContact CH2-CG 4.17Å; W190-P199 HydrophobicContact CZ2-CB 3.93Å; W190-P199 HydrophobicContact CZ2-CG 4.38Å; W190-P199 HydrophobicContact CZ3-CB 4.13Å; W190-P199 VanDerWaalsContact CZ3-N 3.29Å; P199-I202 HydrophobicContact CB-CG1 4.3Å; P199-I202 HydrophobicContact CG-CD1 3.81Å; P199-I202 HydrophobicContact CG-CG1 3.74Å
200S93.7Very high88.5Confident59 Ų5977.7 Ų77.741%0.41339%0.386SS..SBendtrans-72.1-31.1173.9-65.80000112.1L189 Q194L189-S200 PolarHBondContact O-N 3.29Å; Q194-S200 PolarHBondContact NE2-OG 3.49Å; Q194-S200 PolarHBondContact OE1-OG 3.07Å
201Q93.8Very high88.4Confident60 Ų6078.3 Ų78.328%0.2839%0.391SS..EExtended strand (participates in β ladder)trans-152.8148.7178.8-173.2174-21.300110.3K188 L189 L203 V239K188-Q201 WeakPolarHBondContact CA-O 3.48Å; L189-Q201 HydrophobicContact CB-CB 4.06Å; L189-Q201 HydrophobicContact CD2-CB 4.37Å; L189-Q201 PolarHBondContact N-O 3.42Å; Q201-L203 HydrophobicContact CG-CD2 4.45Å; Q201-L203 VanDerWaalsContact NE2-CD2 3.31Å; Q201-V239 PolarHBondContact NE2-O 3.38Å; Q201-V239 PolarHBondContact OE1-O 3.09Å
202I94.2Very high88.5Confident72 Ų7278 Ų7837%0.36939%0.389SS..EExtended strand (participates in β ladder)trans-127125.4174.8-50.7-178.7000108.1Q186 L187 K188 P199Q186-I202 HydrophobicContact CB-CG2 4.26Å; Q186-I202 HydrophobicContact CG-CG2 4.36Å; L187-I202 WeakPolarHBondContact O-CA 3.4Å; K188-I202 HydrophobicContact CG-CG1 4.2Å; K188-I202 HydrophobicContact CG-CG2 4.25Å; P199-I202 HydrophobicContact CB-CG1 4.3Å; P199-I202 HydrophobicContact CG-CD1 3.81Å; P199-I202 HydrophobicContact CG-CG1 3.74Å
203L93.5Very high88.7Confident5 Ų579.1 Ų79.13%0.02639%0.392CS..EExtended strand (participates in β ladder)trans-111.8148172.6-52164.5000107.8Q186 L187 Q201 W237 V239 G242Q186-L203 CarbonylContact C-O 3.5Å; Q186-L203 VanDerWaalsContact CA-O 3.29Å; Q186-L203 WeakPolarHBondContact CA-O 3.32Å; L187-L203 HydrophobicContact CB-CB 4.14Å; L187-L203 HydrophobicContact CB-CD1 4.34Å; L187-L203 HydrophobicContact CD1-CB 4.42Å; L187-L203 HydrophobicContact CD2-CD1 4.36Å; L187-L203 PolarHBondContact N-O 3.14Å; L187-L203 PolarHBondContact O-N 2.78Å; Q201-L203 HydrophobicContact CG-CD2 4.45Å; Q201-L203 VanDerWaalsContact NE2-CD2 3.31Å; L203-W237 HydrophobicContact CB-CE3 4.07Å; L203-W237 HydrophobicContact CB-CZ3 4.01Å; L203-W237 HydrophobicContact CD1-CE3 4.4Å; L203-V239 HydrophobicContact CD1-CB 4.27Å; L203-V239 HydrophobicContact CD1-CG1 4.03Å; L203-G242 WeakPolarHBondContact CD2-O 3.39Å
204S91.2Very high89Confident40 Ų4071.8 Ų71.828%0.2837%0.365SS..EExtended strand (participates in β ladder)trans-153.3150.5170.597.40000111.5G185 N243G185-S204 WeakPolarHBondContact O-CA 3.42Å; G185-S204 WeakPolarHBondContact O-CB 3.47Å; S204-N243 PolarHBondContact N-O 2.94Å
205L80.3Confident89.3Confident42 Ų4269.1 Ų69.122%0.2235%0.354CS..  trans-71.1147.8164.3-173.566.3000106.3W237 P245 L248L205-W237 HydrophobicContact CB-CH2 4.19Å; L205-P245 HydrophobicContact CD1-CG 3.48Å; L205-P245 VanDerWaalsContact CD1-CG 3.48Å; L205-L248 HydrophobicContact CD1-CD2 4.45Å; L205-L248 HydrophobicContact CD2-CD1 4.36Å
206S67.6Low89.9Confident69 Ų6961.4 Ų61.448%0.48332%0.318SS..SBendtrans-53.7168.8-173.643.10000114.1D208S206-D208 PolarHBondContact O-N 2.9Å
207R61.6Low90.2Very high239 Ų23961.3 Ų61.390%0.90231%0.309SS*.THydrogen-bonded Turntrans-10.8-29.7-173.1-78.9-174-125.4-105.2-2.1122.6R209R207-R209 PolarHBondContact O-N 2.86Å
208D71.4Confident90.4Very high143 Ų14358.2 Ų58.277%0.76529%0.292SS*.THydrogen-bonded Turntrans-75.7-4-168.8-71.2-17.1000114.7S206 V210S206-D208 PolarHBondContact O-N 2.9Å; D208-V210 HydrophobicContact CB-CG2 4.24Å; D208-V210 PolarHBondContact O-N 3.07Å; D208-V210 VanDerWaalsContact O-N 3.08Å
209R86.9Confident90.4Very high176 Ų17657.1 Ų57.166%0.66428%0.284SS*.  trans46.842.1170.1-62.8-174.5-176.4-148.10.1113.7I184 R207I184-R209 HydrophobicContact CB-CB 4.35Å; I184-R209 WeakPolarHBondContact O-CA 3.5Å; R207-R209 PolarHBondContact O-N 2.86Å
210V93.5Very high90.2Very high38 Ų3861.1 Ų61.123%0.2330%0.303CS..  trans-69.2128.4178.6-176.80000109.4G185 D208 Q230 D231G185-V210 WeakPolarHBondContact CA-O 3.39Å; G185-V210 PolarHBondContact N-O 2.87Å; G185-V210 VanDerWaalsContact N-O 3.11Å; D208-V210 HydrophobicContact CB-CG2 4.24Å; D208-V210 PolarHBondContact O-N 3.07Å; D208-V210 VanDerWaalsContact O-N 3.08Å; V210-Q230 HydrophobicContact CG1-CB 3.95Å; V210-D231 HydrophobicContact CG1-CB 4.07Å
211P96.5Very high90.2Very high18 Ų1860.1 Ų60.112%0.11729%0.292CS..  trans-54.2139.5175.6-2734.4000112.8S183 Y213 G229 Q230S183-P211 WeakPolarHBondContact O-CG 3.26Å; P211-Y213 HydrophobicContact CB-CE1 3.97Å; P211-G229 CarbonylContact O-C 3.6Å; P211-G229 WeakPolarHBondContact O-CA 3.42Å; P211-Q230 HydrophobicContact CB-CB 4.22Å; P211-Q230 HydrophobicContact CG-CB 4.24Å; P211-Q230 VanDerWaalsContact CG-OE1 3.23Å; P211-Q230 PolarHBondContact O-N 3.34Å
212L97.4Very high90.1Very high11 Ų1161.3 Ų61.36%0.05830%0.298CS..EExtended strand (participates in β ladder)trans-106.7127.4169-71.4173.9000108.9H168 V181 N182 L187H168-L212 WeakPolarHBondContact CB-O 3.36Å; H168-L212 PolarHBondContact CD2-O 3.43Å; V181-L212 HydrophobicContact CB-CB 3.8Å; V181-L212 HydrophobicContact CB-CD1 4.43Å; V181-L212 HydrophobicContact CG1-CB 4.37Å; V181-L212 HydrophobicContact CG1-CD1 4.29Å; V181-L212 HydrophobicContact CG2-CB 4.24Å; N182-L212 PolarHBondContact O-N 3.26Å; N182-L212 VanDerWaalsContact O-N 3.11Å; L187-L212 HydrophobicContact CD1-CD1 3.47Å; L187-L212 VanDerWaalsContact CD1-CD1 3.47Å; L187-L212 HydrophobicContact CG-CD1 4.2Å
213Y98.4Very high90.1Very high46 Ų4659.3 Ų59.318%0.1829%0.287CS..EExtended strand (participates in β ladder)trans-102.7-31.6-175.5-64.6-49.6000113.3H168 A169 P211 G228 Q230 E255 W257H168-Y213 HydrophobicContact CB-CD1 4.39Å; H168-Y213 AromaticContact CD2-CD1 3.8Å; H168-Y213 AromaticContact CE1-CD1 3.92Å; H168-Y213 AromaticContact CE1-CE1 3.73Å; H168-Y213 AromaticContact CG-CD1 3.8Å; H168-Y213 AromaticContact ND1-CD1 3.86Å; H168-Y213 AromaticContact NE2-CD1 3.9Å; H168-Y213 AromaticContact NE2-CE1 3.67Å; A169-Y213 WeakPolarHBondContact CB-O 3.48Å; P211-Y213 HydrophobicContact CB-CE1 3.97Å; Y213-G228 PolarHBondContact N-O 2.94Å; Y213-Q230 HydrophobicContact CE2-CB 3.79Å; Y213-Q230 HydrophobicContact CE2-CG 4.26Å; Y213-E255 HydrophobicContact CD2-CB 4.2Å; Y213-E255 HydrophobicContact CD2-CG 4.34Å; Y213-E255 HydrophobicContact CE2-CB 3.94Å; Y213-E255 HydrophobicContact CE2-CG 3.58Å; Y213-W257 HydrophobicContact CD1-CZ3 4.31Å; Y213-W257 HydrophobicContact CD2-CE3 4.14Å; Y213-W257 AromaticContact CD2-CZ3 3.72Å; Y213-W257 HydrophobicContact CD2-CZ3 3.72Å; Y213-W257 HydrophobicContact CE2-CH2 4.37Å; Y213-W257 AromaticContact CE2-CZ3 3.95Å; Y213-W257 HydrophobicContact CE2-CZ3 3.95Å; Y213-W257 HydrophobicContact CG-CE3 4.25Å; Y213-W257 AromaticContact CG-CZ3 3.91Å; Y213-W257 HydrophobicContact CG-CZ3 3.91Å
214C98.4Very high90.1Very high6 Ų659 Ų594%0.04129%0.285CS..EExtended strand (participates in β ladder)trans-133.5155.1-177.355.70000112.9T227 G228 W257 V259C214-T227 VanDerWaalsContact O-CA 3.25Å; C214-T227 WeakPolarHBondContact O-CA 3.38Å; C214-T227 WeakPolarHBondContact O-CB 3.47Å; C214-G228 PolarHBondContact N-O 2.94Å; C214-G228 PolarHBondContact O-N 2.9Å; C214-G228 VanDerWaalsContact SG-CA 3.52Å; C214-G228 PolarHBondContact SG-N 2.88Å; C214-G228 VanDerWaalsContact SG-N 3.43Å; C214-W257 VanDerWaalsContact CB-O 3.29Å; C214-W257 WeakPolarHBondContact CB-O 2.96Å; C214-V259 HydrophobicContact CB-CG1 4.22Å
215V98.4Very high90.4Very high16 Ų1657.1 Ų57.110%0.09727%0.272CS..EExtended strand (participates in β ladder)trans-149.7136.4176.159.50000110A169 T171 L179 V181 V225 A226 T227A169-V215 HydrophobicContact CB-CG1 4.03Å; T171-V215 HydrophobicContact CG2-CB 4.46Å; T171-V215 HydrophobicContact CG2-CG1 3.92Å; T171-V215 HydrophobicContact CG2-CG2 3.79Å; L179-V215 HydrophobicContact CD2-CG2 4.09Å; V181-V215 HydrophobicContact CG1-CB 3.82Å; V181-V215 HydrophobicContact CG1-CG1 4.06Å; V181-V215 HydrophobicContact CG1-CG2 4.31Å; V181-V215 HydrophobicContact CG2-CB 4.4Å; V181-V215 HydrophobicContact CG2-CG1 4.18Å; V215-V225 HydrophobicContact CG2-CB 4.41Å; V215-A226 CarbonylContact C-O 3.54Å; V215-A226 VanDerWaalsContact CA-O 3.3Å; V215-A226 WeakPolarHBondContact CA-O 3.27Å; V215-T227 HydrophobicContact CB-CG2 4Å; V215-T227 HydrophobicContact CG2-CG2 3.83Å
216D98.4Very high91.2Very high31 Ų3155.1 Ų55.117%0.16626%0.261CS..EExtended strand (participates in β ladder)trans-138.4151.7169.4-173.335.5000111.9V225 A226 V259 H260 F261D216-V225 CarbonylContact O-C 3.55Å; D216-V225 VanDerWaalsContact O-CA 3.26Å; D216-V225 WeakPolarHBondContact O-CA 3.34Å; D216-A226 PolarHBondContact N-O 3.03Å; D216-A226 PolarHBondContact O-N 3.45Å; D216-V259 HydrophobicContact CB-CG1 4.31Å; D216-V259 WeakPolarHBondContact CB-O 3.46Å; D216-H260 WeakPolarHBondContact OD2-CA 3.49Å; D216-F261 PolarHBondContact OD2-N 2.8Å
217R97.1Very high92.7Very high59 Ų5951.9 Ų51.922%0.22324%0.238CC..EExtended strand (participates in β ladder)trans-103133.8-177.9-178.8-165.669.986.4-5.6110Y172 L173 P219 V225Y172-R217 WeakPolarHBondContact O-CD 3.47Å; Y172-R217 PolarHBondContact O-NE 3.1Å; L173-R217 HydrophobicContact CD2-CB 4.48Å; L173-R217 HydrophobicContact CD2-CG 4.17Å; L173-R217 WeakPolarHBondContact O-CD 3.24Å; R217-P219 PolarHBondContact NH1-O 3.31Å; R217-P219 PolarHBondContact NH2-O 2.84Å; R217-V225 HydrophobicContact CB-CG1 4.31Å; R217-V225 HydrophobicContact CG-CG1 4.42Å
218H96.4Very high94.4Very high4 Ų440.5 Ų40.52%0.01920%0.196CC..  trans-55.5126.4170.7-174.3-55000111N220 Q221 I224 F261 P266 S318H218-N220 PolarHBondContact ND1-N 2.99Å; H218-N220 PolarHBondContact O-N 3.1Å; H218-Q221 HydrophobicContact CB-CB 4.41Å; H218-Q221 PolarHBondContact ND1-N 2.89Å; H218-Q221 PolarHBondContact O-N 2.98Å; H218-I224 HydrophobicContact CB-CB 3.71Å; H218-I224 HydrophobicContact CB-CG2 3.99Å; H218-I224 WeakPolarHBondContact CB-O 3.22Å; H218-I224 PolarHBondContact N-O 2.97Å; H218-F261 HydrophobicContact CB-CD2 4.32Å; H218-F261 HydrophobicContact CB-CE1 4.44Å; H218-F261 HydrophobicContact CB-CE2 4.14Å; H218-F261 HydrophobicContact CB-CZ 4.2Å; H218-P266 VanDerWaalsContact CE1-CB 3.42Å; H218-P266 WeakPolarHBondContact CE1-CB 3.5Å; H218-P266 VanDerWaalsContact CE1-CG 3.41Å; H218-P266 WeakPolarHBondContact CE1-CG 3.49Å; H218-S318 PolarHBondContact CD2-OG 3.48Å; H218-S318 PolarHBondContact NE2-OG 3.3Å
219P93.5Very high95.6Very high32 Ų3233.7 Ų33.721%0.20816%0.16CC..SBendtrans-61.5-43.3-168.320.5-33.3000112.6R217 P263 P266R217-P219 PolarHBondContact NH1-O 3.31Å; R217-P219 PolarHBondContact NH2-O 2.84Å; P219-P263 WeakPolarHBondContact CB-O 3.39Å; P219-P266 HydrophobicContact CG-CB 3.72Å; P219-P266 HydrophobicContact CG-CG 4.26Å
220N92.8Very high96.1Very high118 Ų11829.5 Ų29.563%0.63115%0.147SC*.SBendtrans-88.7-20.8-178.5-59.6-29.6000115.1H218H218-N220 PolarHBondContact ND1-N 2.99Å; H218-N220 PolarHBondContact O-N 3.1Å
221Q93.1Very high96.2Very high37 Ų3730.6 Ų30.617%0.17315%0.152CC..  trans-125.689.2-172.2-61.6-166.943.800109.9H218 H223 I224 I316H218-Q221 HydrophobicContact CB-CB 4.41Å; H218-Q221 PolarHBondContact ND1-N 2.89Å; H218-Q221 PolarHBondContact O-N 2.98Å; Q221-H223 PolarHBondContact O-N 3.15Å; Q221-I224 HydrophobicContact CB-CB 4.48Å; Q221-I224 HydrophobicContact CB-CD1 3.82Å; Q221-I224 HydrophobicContact CB-CG1 4.06Å; Q221-I224 HydrophobicContact CG-CD1 4.39Å; Q221-I224 PolarHBondContact O-N 2.92Å; Q221-I316 PolarHBondContact NE2-O 2.78Å
222Q92.6Very high96.1Very high86 Ų8629.8 Ų29.840%0.40215%0.147SC..THydrogen-bonded Turntrans-57.3-16.6-172.1-66.1174.5-15.700116L173 R174L173-Q222 WeakPolarHBondContact O-CG 3.29Å; R174-Q222 VanDerWaalsContact NE-OE1 3.08Å
223H92.4Very high96Very high29 Ų2931.1 Ų31.113%0.13415%0.153CC..THydrogen-bonded Turntrans-90.1-8.518059.8-85000113.3Q221 D238 V239 R240Q221-H223 PolarHBondContact O-N 3.15Å; H223-D238 IonicContact CD2-OD1 3.68Å; H223-D238 PolarHBondContact CD2-OD1 3.5Å; H223-D238 VanDerWaalsContact CD2-OD1 3.31Å; H223-D238 IonicContact CD2-OD2 3.57Å; H223-D238 IonicContact CG-OD1 2.83Å; H223-D238 CarbonylContact O-C 3.6Å; H223-D238 WeakPolarHBondContact O-CA 3.18Å; H223-V239 HydrophobicContact CB-CG2 3.95Å; H223-V239 WeakPolarHBondContact O-CG2 3.29Å; H223-V239 PolarHBondContact O-N 3.2Å; H223-R240 HydrophobicContact CB-CG 3.83Å; H223-R240 PolarHBondContact CD2-NE 2.85Å; H223-R240 VanDerWaalsContact CD2-NE 3.3Å; H223-R240 PolarHBondContact CD2-NH2 2.74Å; H223-R240 VanDerWaalsContact CG-NE 3.33Å; H223-R240 PolarHBondContact NE2-NH2 3.39Å
224I95.1Very high95.9Very high0 Ų029 Ų290%015%0.145CC..EExtended strand (participates in β ladder)trans-99.9127.2179.8-56.7179.4000108.6H218 Q221 V236 W237 F261 L321H218-I224 HydrophobicContact CB-CB 3.71Å; H218-I224 HydrophobicContact CB-CG2 3.99Å; H218-I224 WeakPolarHBondContact CB-O 3.22Å; H218-I224 PolarHBondContact N-O 2.97Å; Q221-I224 HydrophobicContact CB-CB 4.48Å; Q221-I224 HydrophobicContact CB-CD1 3.82Å; Q221-I224 HydrophobicContact CB-CG1 4.06Å; Q221-I224 HydrophobicContact CG-CD1 4.39Å; Q221-I224 PolarHBondContact O-N 2.92Å; I224-V236 HydrophobicContact CG2-CG1 4.05Å; I224-W237 WeakPolarHBondContact CA-O 3.43Å; I224-F261 HydrophobicContact CG2-CZ 4.28Å; I224-L321 HydrophobicContact CD1-CD1 3.55Å; I224-L321 HydrophobicContact CD1-CG 3.77Å; I224-L321 HydrophobicContact CG1-CD1 3.81Å; I224-L321 HydrophobicContact CG1-CG 4.2Å
225V97.1Very high95.7Very high0 Ų028.8 Ų28.80%014%0.144CC..EExtended strand (participates in β ladder)trans-132.5147174.2-61.60000110.6L173 L179 L187 V215 D216 R217 V236 W237 V239L173-V225 HydrophobicContact CD2-CG1 3.5Å; L179-V225 HydrophobicContact CD2-CB 4.34Å; L179-V225 HydrophobicContact CD2-CG1 4.07Å; L179-V225 HydrophobicContact CD2-CG2 3.9Å; L187-V225 HydrophobicContact CD2-CG2 4.01Å; V215-V225 HydrophobicContact CG2-CB 4.41Å; D216-V225 CarbonylContact O-C 3.55Å; D216-V225 VanDerWaalsContact O-CA 3.26Å; D216-V225 WeakPolarHBondContact O-CA 3.34Å; R217-V225 HydrophobicContact CB-CG1 4.31Å; R217-V225 HydrophobicContact CG-CG1 4.42Å; V225-V236 WeakPolarHBondContact O-CA 3.49Å; V225-W237 HydrophobicContact CG2-CB 3.64Å; V225-W237 HydrophobicContact CG2-CG 4Å; V225-W237 PolarHBondContact N-O 2.98Å; V225-W237 VanDerWaalsContact N-O 3.07Å; V225-W237 PolarHBondContact O-N 2.78Å; V225-V239 HydrophobicContact CG1-CG1 4.39Å; V225-V239 HydrophobicContact CG2-CG1 3.94Å
226A97.6Very high95.5Very high0 Ų028.1 Ų28.10%014%0.139CC..EExtended strand (participates in β ladder)trans-110.9143.7171.400000109.1V215 D216 L234 C235 V259 F261 L269V215-A226 CarbonylContact C-O 3.54Å; V215-A226 VanDerWaalsContact CA-O 3.3Å; V215-A226 WeakPolarHBondContact CA-O 3.27Å; D216-A226 PolarHBondContact N-O 3.03Å; D216-A226 PolarHBondContact O-N 3.45Å; A226-L234 HydrophobicContact CB-CD1 4.16Å; A226-C235 CarbonylContact C-O 3.49Å; A226-C235 VanDerWaalsContact CA-O 3.31Å; A226-C235 WeakPolarHBondContact CA-O 3.49Å; A226-V259 HydrophobicContact CB-CG1 4.4Å; A226-V259 HydrophobicContact CB-CG2 3.78Å; A226-F261 HydrophobicContact CB-CE2 3.58Å; A226-F261 HydrophobicContact CB-CZ 3.81Å; A226-L269 HydrophobicContact CB-CD1 3.83Å
227T98Very high95.4Very high0 Ų026.7 Ų26.70%013%0.132CC..EExtended strand (participates in β ladder)trans-136.8149.8176.162.60000111.1V181 L187 C214 V215 C235 W237V181-T227 HydrophobicContact CG1-CG2 4.14Å; L187-T227 HydrophobicContact CD2-CG2 3.72Å; L187-T227 HydrophobicContact CG-CG2 4.2Å; C214-T227 VanDerWaalsContact O-CA 3.25Å; C214-T227 WeakPolarHBondContact O-CA 3.38Å; C214-T227 WeakPolarHBondContact O-CB 3.47Å; V215-T227 HydrophobicContact CB-CG2 4Å; V215-T227 HydrophobicContact CG2-CG2 3.83Å; T227-C235 PolarHBondContact N-O 2.85Å; T227-C235 PolarHBondContact O-N 2.87Å; T227-C235 WeakPolarHBondContact OG1-CB 3.48Å; T227-W237 PolarHBondContact OG1-NE1 2.7Å
228G97.4Very high95.2Very high0 Ų024.1 Ų24.10%012%0.122CC..EExtended strand (participates in β ladder)trans-120.9147.5171.200000111.4Y213 C214 M256Y213-G228 PolarHBondContact N-O 2.94Å; C214-G228 PolarHBondContact N-O 2.94Å; C214-G228 PolarHBondContact O-N 2.9Å; C214-G228 VanDerWaalsContact SG-CA 3.52Å; C214-G228 PolarHBondContact SG-N 2.88Å; C214-G228 VanDerWaalsContact SG-N 3.43Å; G228-M256 WeakPolarHBondContact CA-SD 3.35Å
229G96.1Very high95Very high1 Ų124.4 Ų24.41%0.0113%0.125CC..EExtended strand (participates in β ladder)trans-133.1-171.7-175.700000114.7P211 D231 G232 M256P211-G229 CarbonylContact O-C 3.6Å; P211-G229 WeakPolarHBondContact O-CA 3.42Å; G229-D231 VanDerWaalsContact C-N 3.26Å; G229-D231 PolarHBondContact O-N 3.4Å; G229-G232 PolarHBondContact O-N 2.98Å; G229-M256 PolarHBondContact O-N 2.91Å
230Q97.3Very high94.8Very high87 Ų8730.2 Ų30.241%0.40714%0.142SC..THydrogen-bonded Turntrans-65.4-29.2-177-173.9-177-5.500113.6V210 P211 Y213 G232 E255V210-Q230 HydrophobicContact CG1-CB 3.95Å; P211-Q230 HydrophobicContact CB-CB 4.22Å; P211-Q230 HydrophobicContact CG-CB 4.24Å; P211-Q230 VanDerWaalsContact CG-OE1 3.23Å; P211-Q230 PolarHBondContact O-N 3.34Å; Y213-Q230 HydrophobicContact CE2-CB 3.79Å; Y213-Q230 HydrophobicContact CE2-CG 4.26Å; Q230-G232 PolarHBondContact O-N 2.82Å; Q230-E255 HydrophobicContact CB-CG 4.44Å; Q230-E255 HydrophobicContact CG-CG 3.94Å
231D95.4Very high94.3Very high62 Ų6229.6 Ų29.633%0.33214%0.135SC..THydrogen-bonded Turntrans-82.43.7179.459.8-2.6000113.7V210 G229 M233V210-D231 HydrophobicContact CG1-CB 4.07Å; G229-D231 VanDerWaalsContact C-N 3.26Å; G229-D231 PolarHBondContact O-N 3.4Å; D231-M233 HydrophobicContact CB-CG 4.24Å; D231-M233 PolarHBondContact O-N 3.01Å; D231-M233 WeakPolarHBondContact OD1-CB 3.35Å; D231-M233 WeakPolarHBondContact OD1-CG 3.43Å; D231-M233 PolarHBondContact OD1-N 2.72Å; D231-M233 VanDerWaalsContact OD1-N 3.14Å; D231-M233 VanDerWaalsContact OD2-CG 3.31Å; D231-M233 WeakPolarHBondContact OD2-CG 3.18Å
232G96Very high93.4Very high0 Ų030.2 Ų30.20%015%0.152CC..  trans71.79.5-178.300000114.3G229 Q230 A251 H252 A254G229-G232 PolarHBondContact O-N 2.98Å; Q230-G232 PolarHBondContact O-N 2.82Å; G232-A251 WeakPolarHBondContact O-CB 3.3Å; G232-H252 PolarHBondContact O-N 3.16Å; G232-A254 WeakPolarHBondContact CA-O 3.25Å; G232-A254 PolarHBondContact N-O 3.4Å
233M95Very high93Very high40 Ų4031.1 Ų31.120%0.19716%0.16CC..EExtended strand (participates in β ladder)trans-79.3140.2-179.7-66-78.4179.600111.8D231 L248 M249 E250D231-M233 HydrophobicContact CB-CG 4.24Å; D231-M233 PolarHBondContact O-N 3.01Å; D231-M233 WeakPolarHBondContact OD1-CB 3.35Å; D231-M233 WeakPolarHBondContact OD1-CG 3.43Å; D231-M233 PolarHBondContact OD1-N 2.72Å; D231-M233 VanDerWaalsContact OD1-N 3.14Å; D231-M233 VanDerWaalsContact OD2-CG 3.31Å; D231-M233 WeakPolarHBondContact OD2-CG 3.18Å; M233-L248 HydrophobicContact CB-CD1 3.8Å; M233-L248 HydrophobicContact CG-CD1 4.17Å; M233-L248 HydrophobicContact SD-CD1 4.31Å; M233-L248 HydrophobicContact SD-CG 4.38Å; M233-M249 WeakPolarHBondContact CA-O 3.46Å; M233-E250 HydrophobicContact CE-CG 3.58Å; M233-E250 HydrophobicContact SD-CB 4.33Å; M233-E250 HydrophobicContact SD-CG 3.71Å
234L95.9Very high92.7Very high0 Ų034.5 Ų34.50%018%0.177CC..EExtended strand (participates in β ladder)trans-90.7118.7165.9177.560.4000109.2A226 M249 A251 M256 V259 L269 T271 W281A226-L234 HydrophobicContact CB-CD1 4.16Å; L234-M249 HydrophobicContact CB-CB 4.31Å; L234-M249 PolarHBondContact N-O 3.18Å; L234-M249 PolarHBondContact O-N 3.25Å; L234-A251 HydrophobicContact CB-CB 4.08Å; L234-M256 HydrophobicContact CB-CE 3.91Å; L234-V259 HydrophobicContact CD1-CG2 4.01Å; L234-L269 HydrophobicContact CD1-CD2 4.39Å; L234-L269 HydrophobicContact CD2-CD2 3.91Å; L234-T271 HydrophobicContact CD1-CG2 4.35Å; L234-W281 HydrophobicContact CD2-CD2 4.22Å; L234-W281 HydrophobicContact CD2-CZ2 4.41Å
235C94.4Very high92.3Very high3 Ų335.7 Ų35.72%0.0218%0.184CC..EExtended strand (participates in β ladder)trans-109.3131.3174.1-56.50000110.6A226 T227 W237 P245 S247 L248A226-C235 CarbonylContact C-O 3.49Å; A226-C235 VanDerWaalsContact CA-O 3.31Å; A226-C235 WeakPolarHBondContact CA-O 3.49Å; T227-C235 PolarHBondContact N-O 2.85Å; T227-C235 PolarHBondContact O-N 2.87Å; T227-C235 WeakPolarHBondContact OG1-CB 3.48Å; C235-W237 HydrophobicContact CB-CZ2 3.96Å; C235-P245 HydrophobicContact CB-CB 4.29Å; C235-S247 WeakPolarHBondContact CA-O 3.28Å; C235-L248 WeakPolarHBondContact SG-CD1 3.36Å
236V94.9Very high91.9Very high1 Ų139.1 Ų39.11%0.00620%0.2CC..EExtended strand (participates in β ladder)trans-109.7133.7171.9-179.70000109.3I224 V225 P245 F246 S247 W320 L321I224-V236 HydrophobicContact CG2-CG1 4.05Å; V225-V236 WeakPolarHBondContact O-CA 3.49Å; V236-P245 CarbonylContact O-C 3.59Å; V236-F246 WeakPolarHBondContact O-CA 3.47Å; V236-F246 WeakPolarHBondContact O-CB 3.38Å; V236-F246 PolarHBondContact O-N 3.17Å; V236-S247 PolarHBondContact N-O 3.02Å; V236-S247 PolarHBondContact O-N 3.47Å; V236-S247 VanDerWaalsContact O-N 3.16Å; V236-W320 HydrophobicContact CG1-CB 4.14Å; V236-W320 HydrophobicContact CG2-CE3 4.18Å; V236-L321 HydrophobicContact CG1-CD2 4.14Å
237W94.8Very high91.5Very high2 Ų240.1 Ų40.11%0.00821%0.206CC..EExtended strand (participates in β ladder)trans-123.5139.2-176-46.274.5000110.5L187 L203 L205 I224 V225 T227 C235 P245L187-W237 HydrophobicContact CD1-CD2 4.08Å; L187-W237 HydrophobicContact CD1-CE3 4.27Å; L187-W237 HydrophobicContact CD1-CH2 3.68Å; L187-W237 HydrophobicContact CD1-CZ2 3.43Å; L187-W237 VanDerWaalsContact CD1-CZ2 3.43Å; L187-W237 HydrophobicContact CD1-CZ3 4.08Å; L187-W237 HydrophobicContact CD2-CD2 3.84Å; L187-W237 HydrophobicContact CD2-CE3 4.46Å; L187-W237 HydrophobicContact CD2-CG 3.88Å; L203-W237 HydrophobicContact CB-CE3 4.07Å; L203-W237 HydrophobicContact CB-CZ3 4.01Å; L203-W237 HydrophobicContact CD1-CE3 4.4Å; L205-W237 HydrophobicContact CB-CH2 4.19Å; I224-W237 WeakPolarHBondContact CA-O 3.43Å; V225-W237 HydrophobicContact CG2-CB 3.64Å; V225-W237 HydrophobicContact CG2-CG 4Å; V225-W237 PolarHBondContact N-O 2.98Å; V225-W237 VanDerWaalsContact N-O 3.07Å; V225-W237 PolarHBondContact O-N 2.78Å; T227-W237 PolarHBondContact OG1-NE1 2.7Å; C235-W237 HydrophobicContact CB-CZ2 3.96Å; W237-P245 HydrophobicContact CD2-CB 3.85Å; W237-P245 HydrophobicContact CE3-CB 3.87Å; W237-P245 HydrophobicContact CG-CB 4.49Å; W237-P245 HydrophobicContact CH2-CB 3.96Å; W237-P245 HydrophobicContact CH2-CG 3.9Å; W237-P245 HydrophobicContact CZ2-CB 3.96Å; W237-P245 HydrophobicContact CZ2-CG 4.19Å; W237-P245 HydrophobicContact CZ3-CB 3.94Å; W237-P245 VanDerWaalsContact CZ3-CD 3.44Å; W237-P245 HydrophobicContact CZ3-CG 4.1Å; W237-P245 VanDerWaalsContact CZ3-N 3.32Å
238D93.2Very high91.1Very high4 Ų443.4 Ų43.42%0.02122%0.224CC..EExtended strand (participates in β ladder)trans-100.1107.2156.7-178.8-14.1000107.2H223 R240 Q241 L321H223-D238 IonicContact CD2-OD1 3.68Å; H223-D238 PolarHBondContact CD2-OD1 3.5Å; H223-D238 VanDerWaalsContact CD2-OD1 3.31Å; H223-D238 IonicContact CD2-OD2 3.57Å; H223-D238 IonicContact CG-OD1 2.83Å; H223-D238 CarbonylContact O-C 3.6Å; H223-D238 WeakPolarHBondContact O-CA 3.18Å; D238-R240 PolarHBondContact O-N 2.73Å; D238-R240 VanDerWaalsContact OD1-CB 3.28Å; D238-R240 WeakPolarHBondContact OD1-CB 3.35Å; D238-R240 WeakPolarHBondContact OD1-CG 3.38Å; D238-R240 IonicContact OD1-CZ 2.77Å; D238-R240 PolarHBondContact OD1-N 3.29Å; D238-R240 IonicContact OD1-NE 3.5Å; D238-R240 PolarHBondContact OD1-NE 3.43Å; D238-R240 IonicContact OD1-NH2 3.32Å; D238-R240 IonicContact OD2-CZ 3.2Å; D238-R240 IonicContact OD2-NE 3.56Å; D238-R240 PolarHBondContact OD2-NE 3.27Å; D238-R240 IonicContact OD2-NH2 2.64Å; D238-R240 PolarHBondContact OD2-NH2 2.88Å; D238-Q241 HydrophobicContact CB-CB 4.11Å; D238-Q241 HydrophobicContact CB-CG 4.19Å; D238-Q241 PolarHBondContact O-N 3.28Å; D238-Q241 PolarHBondContact OD2-NE2 3.15Å; D238-L321 HydrophobicContact CB-CD1 4.24Å; D238-L321 HydrophobicContact CB-CD2 4.16Å
239V92.2Very high90.9Very high11 Ų1144.5 Ų44.57%0.06723%0.229CC..THydrogen-bonded Turntrans-63-12.6-175.9-54.20000113.1L173 Q201 L203 H223 V225L173-V239 HydrophobicContact CD1-CG1 4.33Å; L173-V239 HydrophobicContact CD1-CG2 4.26Å; Q201-V239 PolarHBondContact NE2-O 3.38Å; Q201-V239 PolarHBondContact OE1-O 3.09Å; L203-V239 HydrophobicContact CD1-CB 4.27Å; L203-V239 HydrophobicContact CD1-CG1 4.03Å; H223-V239 HydrophobicContact CB-CG2 3.95Å; H223-V239 WeakPolarHBondContact O-CG2 3.29Å; H223-V239 PolarHBondContact O-N 3.2Å; V225-V239 HydrophobicContact CG1-CG1 4.39Å; V225-V239 HydrophobicContact CG2-CG1 3.94Å
240R90.4Very high90.7Very high154 Ų15452.5 Ų52.558%0.58127%0.266SS*.THydrogen-bonded Turntrans-85.9-18.3174.4-53.1168.6-58.7172.95.7112.3H223 D238H223-R240 HydrophobicContact CB-CG 3.83Å; H223-R240 PolarHBondContact CD2-NE 2.85Å; H223-R240 VanDerWaalsContact CD2-NE 3.3Å; H223-R240 PolarHBondContact CD2-NH2 2.74Å; H223-R240 VanDerWaalsContact CG-NE 3.33Å; H223-R240 PolarHBondContact NE2-NH2 3.39Å; D238-R240 PolarHBondContact O-N 2.73Å; D238-R240 VanDerWaalsContact OD1-CB 3.28Å; D238-R240 WeakPolarHBondContact OD1-CB 3.35Å; D238-R240 WeakPolarHBondContact OD1-CG 3.38Å; D238-R240 IonicContact OD1-CZ 2.77Å; D238-R240 PolarHBondContact OD1-N 3.29Å; D238-R240 IonicContact OD1-NE 3.5Å; D238-R240 PolarHBondContact OD1-NE 3.43Å; D238-R240 IonicContact OD1-NH2 3.32Å; D238-R240 IonicContact OD2-CZ 3.2Å; D238-R240 IonicContact OD2-NE 3.56Å; D238-R240 PolarHBondContact OD2-NE 3.27Å; D238-R240 IonicContact OD2-NH2 2.64Å; D238-R240 PolarHBondContact OD2-NH2 2.88Å
241Q81.9Confident90.6Very high104 Ų10449.3 Ų49.349%0.48625%0.254SS..SBendtrans-110.8103.6-171.4-66.7-171.241.500111.6D238D238-Q241 HydrophobicContact CB-CB 4.11Å; D238-Q241 HydrophobicContact CB-CG 4.19Å; D238-Q241 PolarHBondContact O-N 3.28Å; D238-Q241 PolarHBondContact OD2-NE2 3.15Å
242G74.9Confident90.7Very high51 Ų5147.3 Ų47.353%0.52624%0.243SC..  trans60.4-162.7170.100000113.9L203L203-G242 WeakPolarHBondContact CD2-O 3.39Å
243N82.9Confident90.7Very high104 Ų10452.4 Ų52.456%0.55628%0.279SS*.SBendtrans-113.43.1-177.2-64.9-0.2000112.9S204S204-N243 PolarHBondContact N-O 2.94Å
244M85.4Confident90.8Very high101 Ų10151.5 Ų51.550%0.49828%0.278SS..SBendtrans-116.6153.2-172.8-63.9-68.6-88.800109.4
245P88Confident90.9Very high24 Ų2453.9 Ų53.916%0.15629%0.289CS..  trans-65.7151177.524.1-27.1000110.8L205 C235 V236 W237L205-P245 HydrophobicContact CD1-CG 3.48Å; L205-P245 VanDerWaalsContact CD1-CG 3.48Å; C235-P245 HydrophobicContact CB-CB 4.29Å; V236-P245 CarbonylContact O-C 3.59Å; W237-P245 HydrophobicContact CD2-CB 3.85Å; W237-P245 HydrophobicContact CE3-CB 3.87Å; W237-P245 HydrophobicContact CG-CB 4.49Å; W237-P245 HydrophobicContact CH2-CB 3.96Å; W237-P245 HydrophobicContact CH2-CG 3.9Å; W237-P245 HydrophobicContact CZ2-CB 3.96Å; W237-P245 HydrophobicContact CZ2-CG 4.19Å; W237-P245 HydrophobicContact CZ3-CB 3.94Å; W237-P245 VanDerWaalsContact CZ3-CD 3.44Å; W237-P245 HydrophobicContact CZ3-CG 4.1Å; W237-P245 VanDerWaalsContact CZ3-N 3.32Å
246F88.4Confident91.1Very high73 Ų7353.8 Ų53.832%0.3229%0.288SS..SBendtrans-74.6-42.5174.8-174.5-84.5000111.2V236 L321V236-F246 WeakPolarHBondContact O-CA 3.47Å; V236-F246 WeakPolarHBondContact O-CB 3.38Å; V236-F246 PolarHBondContact O-N 3.17Å; F246-L321 HydrophobicContact CB-CD2 3.91Å; F246-L321 HydrophobicContact CD1-CB 4.33Å; F246-L321 HydrophobicContact CD1-CD2 3.86Å; F246-L321 HydrophobicContact CD2-CD2 4.14Å; F246-L321 HydrophobicContact CE1-CB 4.17Å; F246-L321 WeakPolarHBondContact CE1-O 3.45Å; F246-L321 HydrophobicContact CG-CD2 3.67Å; F246-L321 HydrophobicContact CZ-CB 4.27Å; F246-L321 WeakPolarHBondContact CZ-O 3.49Å
247S88.8Confident91.3Very high20 Ų2057.2 Ų57.214%0.1430%0.301CS..EExtended strand (participates in β ladder)trans-133.6145.1177.1-172.60000110.6C235 V236C235-S247 WeakPolarHBondContact CA-O 3.28Å; V236-S247 PolarHBondContact N-O 3.02Å; V236-S247 PolarHBondContact O-N 3.47Å; V236-S247 VanDerWaalsContact O-N 3.16Å
248L90.5Very high91.5Very high70 Ų7057.6 Ų57.637%0.36630%0.303SS..EExtended strand (participates in β ladder)trans-130124.4173.3-179.168.1000107.7L205 M233 C235L205-L248 HydrophobicContact CD1-CD2 4.45Å; L205-L248 HydrophobicContact CD2-CD1 4.36Å; M233-L248 HydrophobicContact CB-CD1 3.8Å; M233-L248 HydrophobicContact CG-CD1 4.17Å; M233-L248 HydrophobicContact SD-CD1 4.31Å; M233-L248 HydrophobicContact SD-CG 4.38Å; C235-L248 WeakPolarHBondContact SG-CD1 3.36Å
249M92Very high91.8Very high23 Ų2357.5 Ų57.511%0.11330%0.303CS..EExtended strand (participates in β ladder)trans-133.8132.2-172-62.7170.255.900110.7M233 L234 A251 W281 L330M233-M249 WeakPolarHBondContact CA-O 3.46Å; L234-M249 HydrophobicContact CB-CB 4.31Å; L234-M249 PolarHBondContact N-O 3.18Å; L234-M249 PolarHBondContact O-N 3.25Å; M249-A251 PolarHBondContact O-N 3.33Å; M249-W281 HydrophobicContact CE-CE3 3.54Å; M249-W281 HydrophobicContact CE-CH2 4.02Å; M249-W281 HydrophobicContact CE-CZ3 3.15Å; M249-L330 HydrophobicContact CE-CB 4.34Å; M249-L330 HydrophobicContact CE-CD1 3.64Å; M249-L330 HydrophobicContact CE-CD2 4.33Å; M249-L330 HydrophobicContact CE-CG 4.32Å; M249-L330 HydrophobicContact SD-CD1 3.82Å
250E92.8Very high92Very high168 Ų16858.7 Ų58.779%0.78531%0.307SS*.EExtended strand (participates in β ladder)trans-68.9112.5170-72.3174-171.300108.4M233M233-E250 HydrophobicContact CE-CG 3.58Å; M233-E250 HydrophobicContact SD-CB 4.33Å; M233-E250 HydrophobicContact SD-CG 3.71Å
251A94.6Very high92.4Very high20 Ų2051.6 Ų51.617%0.16528%0.281CS..  trans-110-55.2-178.800000110.9G232 L234 M249 M256 L279 W281G232-A251 WeakPolarHBondContact O-CB 3.3Å; L234-A251 HydrophobicContact CB-CB 4.08Å; M249-A251 PolarHBondContact O-N 3.33Å; A251-M256 HydrophobicContact CB-CE 3.59Å; A251-L279 HydrophobicContact CB-CD1 4.48Å; A251-L279 VanDerWaalsContact O-CD1 3.23Å; A251-L279 WeakPolarHBondContact O-CD1 3.48Å; A251-W281 HydrophobicContact CB-CH2 3.88Å; A251-W281 HydrophobicContact CB-CZ2 3.37Å
252H96.9Very high93.1Very high20 Ų2046.8 Ų46.89%0.09326%0.258CS..  trans-126.9166.6-172.3-58.2-72000112.2G232 M256 T271 S273 D275 S277 L279G232-H252 PolarHBondContact O-N 3.16Å; H252-M256 VanDerWaalsContact CD2-CE 3.42Å; H252-M256 WeakPolarHBondContact CD2-CE 3.38Å; H252-T271 WeakPolarHBondContact NE2-CB 2.9Å; H252-T271 PolarHBondContact NE2-OG1 3.14Å; H252-S273 WeakPolarHBondContact CB-OG 3.4Å; H252-S273 WeakPolarHBondContact ND1-CB 3.47Å; H252-D275 IonicContact ND1-OD1 3.71Å; H252-S277 PolarHBondContact CE1-OG 3.01Å; H252-S277 PolarHBondContact ND1-OG 2.83Å; H252-L279 VanDerWaalsContact CE1-CD1 3.41Å; H252-L279 WeakPolarHBondContact CE1-CD1 3.37Å
253S96.9Very high93.9Very high107 Ų10746.9 Ų46.975%0.74825%0.25SC*.SBendtrans-94.7-6.1176.961.50000114.1D275S253-D275 PolarHBondContact N-OD2 2.99Å; S253-D275 WeakPolarHBondContact OG-CB 3.39Å; S253-D275 PolarHBondContact OG-OD2 3.36Å
254A97.6Very high94.3Very high21 Ų2146.2 Ų46.217%0.17425%0.249CC..SBendtrans-145.2-172.7178.600000110.4G232 M256 E274 D275G232-A254 WeakPolarHBondContact CA-O 3.25Å; G232-A254 PolarHBondContact N-O 3.4Å; A254-M256 PolarHBondContact O-N 2.97Å; A254-E274 HydrophobicContact CB-CB 3.9Å; A254-E274 HydrophobicContact CB-CG 4.36Å; A254-D275 HydrophobicContact CB-CB 3.89Å
255E98.3Very high94.6Very high51 Ų5143.6 Ų43.624%0.23824%0.237CC..  trans-51.7130.1-176.4-6778.8-179.900113.3Y213 Q230 W257 S273 E274Y213-E255 HydrophobicContact CD2-CB 4.2Å; Y213-E255 HydrophobicContact CD2-CG 4.34Å; Y213-E255 HydrophobicContact CE2-CB 3.94Å; Y213-E255 HydrophobicContact CE2-CG 3.58Å; Q230-E255 HydrophobicContact CB-CG 4.44Å; Q230-E255 HydrophobicContact CG-CG 3.94Å; E255-W257 HydrophobicContact CB-CH2 3.93Å; E255-W257 HydrophobicContact CB-CZ2 3.88Å; E255-W257 HydrophobicContact CB-CZ3 4.29Å; E255-W257 HydrophobicContact CG-CH2 4.15Å; E255-W257 HydrophobicContact CG-CZ2 4.38Å; E255-S273 CarbonylContact O-C 3.58Å; E255-S273 VanDerWaalsContact O-CA 3.24Å; E255-S273 WeakPolarHBondContact O-CA 3.29Å; E255-S273 PolarHBondContact O-OG 2.97Å; E255-E274 HydrophobicContact CB-CB 4.02Å; E255-E274 PolarHBondContact O-N 3.35Å
256M98.6Very high94.8Very high0 Ų043 Ų430%023%0.233CC..EExtended strand (participates in β ladder)trans-88.7114.1172.8-172.4-173.6-61.900110.7G228 G229 L234 A251 H252 A254 V259 T271 C272G228-M256 WeakPolarHBondContact CA-SD 3.35Å; G229-M256 PolarHBondContact O-N 2.91Å; L234-M256 HydrophobicContact CB-CE 3.91Å; A251-M256 HydrophobicContact CB-CE 3.59Å; H252-M256 VanDerWaalsContact CD2-CE 3.42Å; H252-M256 WeakPolarHBondContact CD2-CE 3.38Å; A254-M256 PolarHBondContact O-N 2.97Å; M256-V259 HydrophobicContact SD-CB 4.34Å; M256-T271 HydrophobicContact CE-CG2 3.95Å; M256-T271 HydrophobicContact SD-CG2 3.63Å; M256-C272 WeakPolarHBondContact CG-O 3.15Å
257W98.6Very high94.9Very high73 Ų7342.3 Ų42.328%0.27723%0.233SC..EExtended strand (participates in β ladder)trans-83.4-40.5-174.5-67.6134000114.3Y213 C214 E255 C272 E274 S342Y213-W257 HydrophobicContact CD1-CZ3 4.31Å; Y213-W257 HydrophobicContact CD2-CE3 4.14Å; Y213-W257 AromaticContact CD2-CZ3 3.72Å; Y213-W257 HydrophobicContact CD2-CZ3 3.72Å; Y213-W257 HydrophobicContact CE2-CH2 4.37Å; Y213-W257 AromaticContact CE2-CZ3 3.95Å; Y213-W257 HydrophobicContact CE2-CZ3 3.95Å; Y213-W257 HydrophobicContact CG-CE3 4.25Å; Y213-W257 AromaticContact CG-CZ3 3.91Å; Y213-W257 HydrophobicContact CG-CZ3 3.91Å; C214-W257 VanDerWaalsContact CB-O 3.29Å; C214-W257 WeakPolarHBondContact CB-O 2.96Å; E255-W257 HydrophobicContact CB-CH2 3.93Å; E255-W257 HydrophobicContact CB-CZ2 3.88Å; E255-W257 HydrophobicContact CB-CZ3 4.29Å; E255-W257 HydrophobicContact CG-CH2 4.15Å; E255-W257 HydrophobicContact CG-CZ2 4.38Å; W257-C272 PolarHBondContact N-O 2.98Å; W257-E274 HydrophobicContact CZ2-CB 4.2Å; W257-E274 HydrophobicContact CZ2-CG 4.45Å; W257-E274 WeakPolarHBondContact CZ2-OE2 3.23Å; W257-E274 PolarHBondContact NE1-OE2 3.17Å; W257-S342 PolarHBondContact NE1-OG 2.89Å; W257-S342 VanDerWaalsContact NE1-OG 3.17Å
258E98.7Very high95.2Very high10 Ų1041.7 Ų41.75%0.04723%0.228CC..EExtended strand (participates in β ladder)trans-141.3149.7177.4-63.4-170.7178.300111.8K13 R15 H260 T271 C272 S345 L346K13-E258 VanDerWaalsContact CD-OE1 3.29Å; K13-E258 WeakPolarHBondContact CD-OE1 3.25Å; K13-E258 VanDerWaalsContact CE-OE1 3.24Å; K13-E258 WeakPolarHBondContact CE-OE1 3.44Å; K13-E258 IonicContact NZ-OE1 3.29Å; K13-E258 PolarHBondContact NZ-OE1 2.57Å; R15-E258 IonicContact CZ-OE1 3.65Å; R15-E258 IonicContact CZ-OE2 2.72Å; R15-E258 IonicContact NH1-OE1 3.45Å; R15-E258 PolarHBondContact NH1-OE1 3.09Å; R15-E258 IonicContact NH1-OE2 2.94Å; R15-E258 PolarHBondContact NH1-OE2 3.11Å; R15-E258 IonicContact NH2-OE1 3.84Å; R15-E258 PolarHBondContact NH2-OE1 2.9Å; R15-E258 IonicContact NH2-OE2 3.15Å; R15-E258 PolarHBondContact NH2-OE2 3.28Å; E258-H260 IonicContact OE2-CD2 2.73Å; E258-H260 IonicContact OE2-NE2 2.7Å; E258-H260 PolarHBondContact OE2-NE2 2.74Å; E258-T271 VanDerWaalsContact O-CA 3.29Å; E258-T271 WeakPolarHBondContact O-CA 3.48Å; E258-C272 PolarHBondContact O-N 2.98Å; E258-C272 VanDerWaalsContact O-N 3.11Å; E258-S345 VanDerWaalsContact CD-OG 3.22Å; E258-S345 WeakPolarHBondContact OE1-CB 3.31Å; E258-S345 PolarHBondContact OE1-OG 3.24Å; E258-S345 PolarHBondContact OE2-OG 3.38Å; E258-S345 VanDerWaalsContact OE2-OG 3.07Å; E258-L346 PolarHBondContact OE2-N 2.91Å
259V98.6Very high95.5Very high3 Ų338.4 Ų38.42%0.01821%0.211CC..EExtended strand (participates in β ladder)trans-133.4133.6169.759.70000107.8C214 D216 A226 L234 M256 L269 F270 T271C214-V259 HydrophobicContact CB-CG1 4.22Å; D216-V259 HydrophobicContact CB-CG1 4.31Å; D216-V259 WeakPolarHBondContact CB-O 3.46Å; A226-V259 HydrophobicContact CB-CG1 4.4Å; A226-V259 HydrophobicContact CB-CG2 3.78Å; L234-V259 HydrophobicContact CD1-CG2 4.01Å; M256-V259 HydrophobicContact SD-CB 4.34Å; V259-L269 HydrophobicContact CG2-CD1 3.83Å; V259-L269 HydrophobicContact CG2-CD2 3.86Å; V259-L269 HydrophobicContact CG2-CG 3.94Å; V259-F270 CarbonylContact C-O 3.53Å; V259-F270 WeakPolarHBondContact CA-O 3.46Å; V259-T271 HydrophobicContact CB-CG2 4.15Å; V259-T271 HydrophobicContact CG2-CG2 3.88Å
260H98.4Very high95.8Very high35 Ų3537.3 Ų37.316%0.16221%0.205CC..EExtended strand (participates in β ladder)trans-140126.6176.5-66.3-83.1000110.6D216 E258 L269 F270 L346D216-H260 WeakPolarHBondContact OD2-CA 3.49Å; E258-H260 IonicContact OE2-CD2 2.73Å; E258-H260 IonicContact OE2-NE2 2.7Å; E258-H260 PolarHBondContact OE2-NE2 2.74Å; H260-L269 CarbonylContact O-C 3.59Å; H260-L269 WeakPolarHBondContact O-CA 3.37Å; H260-F270 PolarHBondContact N-O 3.46Å; H260-F270 PolarHBondContact O-N 3.13Å; H260-L346 HydrophobicContact CB-CD1 4.13Å; H260-L346 PolarHBondContact NE2-O 3.01Å
261F97.7Very high96Very high6 Ų629.3 Ų29.33%0.02617%0.168CC..EExtended strand (participates in β ladder)trans-68.2144.5162.5-73.9-82.5000109.2D216 H218 I224 A226 P263 L269 W320D216-F261 PolarHBondContact OD2-N 2.8Å; H218-F261 HydrophobicContact CB-CD2 4.32Å; H218-F261 HydrophobicContact CB-CE1 4.44Å; H218-F261 HydrophobicContact CB-CE2 4.14Å; H218-F261 HydrophobicContact CB-CZ 4.2Å; I224-F261 HydrophobicContact CG2-CZ 4.28Å; A226-F261 HydrophobicContact CB-CE2 3.58Å; A226-F261 HydrophobicContact CB-CZ 3.81Å; F261-P263 WeakPolarHBondContact O-CD 3.29Å; F261-L269 HydrophobicContact CD1-CB 4.33Å; F261-L269 HydrophobicContact CD1-CD1 3.92Å; F261-L269 HydrophobicContact CD2-CD1 4.41Å; F261-L269 HydrophobicContact CE1-CD1 3.64Å; F261-L269 HydrophobicContact CE2-CD1 4.17Å; F261-L269 HydrophobicContact CG-CD1 4.29Å; F261-L269 HydrophobicContact CZ-CD1 3.78Å; F261-W320 AromaticContact CE1-CD1 3.73Å; F261-W320 HydrophobicContact CE1-CD2 4.16Å; F261-W320 AromaticContact CE1-CE2 3.93Å; F261-W320 HydrophobicContact CE1-CG 4.06Å; F261-W320 AromaticContact CE1-NE1 3.64Å
262H96.1Very high96.2Very high2 Ų228.3 Ų28.31%0.00916%0.16CC..  trans-67.3127.3172.2175.6-105.9000110.1T264 N265 H268 F270 G350H262-T264 VanDerWaalsContact C-N 3.3Å; H262-T264 PolarHBondContact CE1-OG1 3.02Å; H262-T264 PolarHBondContact O-N 2.86Å; H262-T264 VanDerWaalsContact O-N 3.15Å; H262-N265 WeakPolarHBondContact CB-O 3.46Å; H262-N265 PolarHBondContact CE1-N 3.43Å; H262-N265 WeakPolarHBondContact ND1-CA 3.39Å; H262-N265 WeakPolarHBondContact ND1-CB 3.22Å; H262-N265 PolarHBondContact ND1-N 3.05Å; H262-N265 PolarHBondContact ND1-O 2.87Å; H262-N265 VanDerWaalsContact ND1-O 3.16Å; H262-H268 HydrophobicContact CB-CB 3.98Å; H262-H268 PolarHBondContact N-O 2.91Å; H262-F270 HydrophobicContact CB-CE2 4.1Å; H262-G350 PolarHBondContact NE2-O 3.34Å; H262-G350 VanDerWaalsContact NE2-O 3.08Å
263P93.3Very high96.3Very high54 Ų5427.4 Ų27.435%0.35116%0.156SC..SBendtrans-62.9-29.3-163.9-27.935.1000115.7P219 F261 M348P219-P263 WeakPolarHBondContact CB-O 3.39Å; F261-P263 WeakPolarHBondContact O-CD 3.29Å; P263-M348 WeakPolarHBondContact CG-O 3.41Å
264T91Very high96.4Very high89 Ų8925.7 Ų25.755%0.54614%0.136SC..SBendtrans-112.4-28.7-175.554.60000113.9H262H262-T264 VanDerWaalsContact C-N 3.3Å; H262-T264 PolarHBondContact CE1-OG1 3.02Å; H262-T264 PolarHBondContact O-N 2.86Å; H262-T264 VanDerWaalsContact O-N 3.15Å
265N91.9Very high96.3Very high46 Ų4627.2 Ų27.225%0.24614%0.141CC..  trans-122.385.2175-175.14.6000109.8H262 D267 H268 V370H262-N265 WeakPolarHBondContact CB-O 3.46Å; H262-N265 PolarHBondContact CE1-N 3.43Å; H262-N265 WeakPolarHBondContact ND1-CA 3.39Å; H262-N265 WeakPolarHBondContact ND1-CB 3.22Å; H262-N265 PolarHBondContact ND1-N 3.05Å; H262-N265 PolarHBondContact ND1-O 2.87Å; H262-N265 VanDerWaalsContact ND1-O 3.16Å; N265-D267 PolarHBondContact O-N 3.34Å; N265-D267 VanDerWaalsContact O-N 3.14Å; N265-D267 PolarHBondContact OD1-N 2.84Å; N265-H268 PolarHBondContact ND2-CD2 2.94Å; N265-H268 PolarHBondContact ND2-NE2 3.41Å; N265-H268 VanDerWaalsContact ND2-NE2 3.12Å; N265-H268 PolarHBondContact O-N 2.71Å; N265-V370 PolarHBondContact ND2-OXT 2.64Å
266P90.7Very high96.2Very high12 Ų1225.1 Ų25.18%0.07813%0.133CC..THydrogen-bonded Turntrans-75.64.8-172.532.3-37.4000114.8H218 P219 H268 W320H218-P266 VanDerWaalsContact CE1-CB 3.42Å; H218-P266 WeakPolarHBondContact CE1-CB 3.5Å; H218-P266 VanDerWaalsContact CE1-CG 3.41Å; H218-P266 WeakPolarHBondContact CE1-CG 3.49Å; P219-P266 HydrophobicContact CG-CB 3.72Å; P219-P266 HydrophobicContact CG-CG 4.26Å; P266-H268 PolarHBondContact O-N 3.49Å; P266-W320 PolarHBondContact O-NE1 3.21Å
267D91.3Very high96.1Very high58 Ų5825.8 Ų25.831%0.3114%0.138SC..THydrogen-bonded Turntrans-70.3-10.9166.7-66.3-15000111.2N265 T283N265-D267 PolarHBondContact O-N 3.34Å; N265-D267 VanDerWaalsContact O-N 3.14Å; N265-D267 PolarHBondContact OD1-N 2.84Å; D267-T283 WeakPolarHBondContact CA-OG1 3.31Å; D267-T283 WeakPolarHBondContact CB-OG1 3.48Å; D267-T283 PolarHBondContact O-N 2.99Å; D267-T283 PolarHBondContact O-OG1 3.09Å
268H94.5Very high96.1Very high8 Ų822.4 Ų22.44%0.03713%0.125CC..EExtended strand (participates in β ladder)trans-108.9142.9171.7-51.7-80.4000112.5H262 N265 P266 F270 H280 W281 E282 V370H262-H268 HydrophobicContact CB-CB 3.98Å; H262-H268 PolarHBondContact N-O 2.91Å; N265-H268 PolarHBondContact ND2-CD2 2.94Å; N265-H268 PolarHBondContact ND2-NE2 3.41Å; N265-H268 VanDerWaalsContact ND2-NE2 3.12Å; N265-H268 PolarHBondContact O-N 2.71Å; P266-H268 PolarHBondContact O-N 3.49Å; H268-F270 HydrophobicContact CB-CE2 3.96Å; H268-F270 HydrophobicContact CB-CZ 4.44Å; H268-H280 AromaticContact CG-NE2 3.59Å; H268-H280 AromaticContact ND1-CE1 3.73Å; H268-H280 AromaticContact ND1-NE2 3.06Å; H268-H280 PolarHBondContact ND1-NE2 3.38Å; H268-W281 CarbonylContact C-O 3.47Å; H268-W281 VanDerWaalsContact CA-O 3.23Å; H268-W281 WeakPolarHBondContact CA-O 3.49Å; H268-E282 VanDerWaalsContact CE1-CD 3.5Å; H268-E282 IonicContact CE1-OE1 3.66Å; H268-E282 IonicContact CE1-OE2 3.72Å; H268-V370 HydrophobicContact CB-CG1 4.16Å; H268-V370 PolarHBondContact NE2-OXT 3.23Å
269L96.6Very high96Very high0 Ų022 Ų220%012%0.123CC..EExtended strand (participates in β ladder)trans-140.6149.3176175151.7000109.7A226 L234 V259 H260 F261 T271 W281 W320A226-L269 HydrophobicContact CB-CD1 3.83Å; L234-L269 HydrophobicContact CD1-CD2 4.39Å; L234-L269 HydrophobicContact CD2-CD2 3.91Å; V259-L269 HydrophobicContact CG2-CD1 3.83Å; V259-L269 HydrophobicContact CG2-CD2 3.86Å; V259-L269 HydrophobicContact CG2-CG 3.94Å; H260-L269 CarbonylContact O-C 3.59Å; H260-L269 WeakPolarHBondContact O-CA 3.37Å; F261-L269 HydrophobicContact CD1-CB 4.33Å; F261-L269 HydrophobicContact CD1-CD1 3.92Å; F261-L269 HydrophobicContact CD2-CD1 4.41Å; F261-L269 HydrophobicContact CE1-CD1 3.64Å; F261-L269 HydrophobicContact CE2-CD1 4.17Å; F261-L269 HydrophobicContact CG-CD1 4.29Å; F261-L269 HydrophobicContact CZ-CD1 3.78Å; L269-T271 HydrophobicContact CD2-CG2 3.61Å; L269-W281 HydrophobicContact CB-CB 4.3Å; L269-W281 HydrophobicContact CD2-CB 4.3Å; L269-W281 VanDerWaalsContact CD2-CD1 3.5Å; L269-W281 HydrophobicContact CD2-CG 3.95Å; L269-W281 PolarHBondContact N-O 2.64Å; L269-W281 WeakPolarHBondContact O-CB 3.28Å; L269-W281 PolarHBondContact O-N 3.11Å; L269-W320 HydrophobicContact CB-CH2 3.6Å; L269-W320 HydrophobicContact CB-CZ2 3.44Å; L269-W320 VanDerWaalsContact CB-CZ2 3.44Å; L269-W320 HydrophobicContact CD1-CH2 4.22Å; L269-W320 HydrophobicContact CD1-CZ2 4.33Å; L269-W320 HydrophobicContact CD1-CZ3 4.47Å; L269-W320 HydrophobicContact CD2-CH2 4.44Å; L269-W320 HydrophobicContact CG-CH2 4.32Å; L269-W320 HydrophobicContact CG-CZ2 4.45Å
270F98.1Very high95.9Very high0 Ų022.1 Ų22.10%012%0.124CC..EExtended strand (participates in β ladder)trans-127.7139.6-176.3-63-96000109.9V259 H260 H262 H268 L278 L279 H280 L346 M348 V368 V370V259-F270 CarbonylContact C-O 3.53Å; V259-F270 WeakPolarHBondContact CA-O 3.46Å; H260-F270 PolarHBondContact N-O 3.46Å; H260-F270 PolarHBondContact O-N 3.13Å; H262-F270 HydrophobicContact CB-CE2 4.1Å; H268-F270 HydrophobicContact CB-CE2 3.96Å; H268-F270 HydrophobicContact CB-CZ 4.44Å; F270-L278 HydrophobicContact CD1-CD2 4.29Å; F270-L279 WeakPolarHBondContact CA-O 3.42Å; F270-H280 HydrophobicContact CD1-CB 3.95Å; F270-H280 HydrophobicContact CE1-CB 3.58Å; F270-H280 AromaticContact CE1-CD2 3.34Å; F270-H280 WeakPolarHBondContact CE1-CD2 3.4Å; F270-H280 AromaticContact CE1-CG 3.47Å; F270-H280 VanDerWaalsContact CE1-CG 3.47Å; F270-H280 AromaticContact CE2-CD2 3.82Å; F270-H280 HydrophobicContact CZ-CB 4.33Å; F270-H280 AromaticContact CZ-CD2 3.14Å; F270-H280 WeakPolarHBondContact CZ-CD2 3.41Å; F270-H280 AromaticContact CZ-CG 3.74Å; F270-H280 AromaticContact CZ-NE2 3.53Å; F270-L346 HydrophobicContact CB-CD1 3.76Å; F270-L346 HydrophobicContact CB-CD2 3.99Å; F270-M348 HydrophobicContact CB-CG 4.32Å; F270-M348 HydrophobicContact CD1-CE 4.23Å; F270-M348 HydrophobicContact CD1-CG 4.29Å; F270-M348 HydrophobicContact CD1-SD 3.67Å; F270-M348 HydrophobicContact CD2-CE 3.78Å; F270-M348 HydrophobicContact CD2-CG 3.72Å; F270-M348 HydrophobicContact CD2-SD 3.86Å; F270-M348 HydrophobicContact CE1-CE 3.65Å; F270-M348 HydrophobicContact CE1-SD 3.59Å; F270-M348 VanDerWaalsContact CE1-SD 3.59Å; F270-M348 HydrophobicContact CE2-CE 3.19Å; F270-M348 HydrophobicContact CE2-CG 4.18Å; F270-M348 HydrophobicContact CE2-SD 3.84Å; F270-M348 HydrophobicContact CG-CE 4.29Å; F270-M348 HydrophobicContact CG-CG 3.82Å; F270-M348 HydrophobicContact CG-SD 3.81Å; F270-M348 HydrophobicContact CZ-CE 3.1Å; F270-M348 HydrophobicContact CZ-SD 3.69Å; F270-V368 HydrophobicContact CE1-CG1 4.01Å; F270-V368 HydrophobicContact CZ-CG1 3.99Å; F270-V370 HydrophobicContact CE2-CG1 4.31Å; F270-V370 HydrophobicContact CZ-CG1 3.89Å
271T98.6Very high95.7Very high0 Ų020.9 Ų20.90%012%0.118CC..EExtended strand (participates in β ladder)trans-137143.5177.957.20000110.8L234 H252 M256 E258 V259 L269 L278 L279 W281L234-T271 HydrophobicContact CD1-CG2 4.35Å; H252-T271 WeakPolarHBondContact NE2-CB 2.9Å; H252-T271 PolarHBondContact NE2-OG1 3.14Å; M256-T271 HydrophobicContact CE-CG2 3.95Å; M256-T271 HydrophobicContact SD-CG2 3.63Å; E258-T271 VanDerWaalsContact O-CA 3.29Å; E258-T271 WeakPolarHBondContact O-CA 3.48Å; V259-T271 HydrophobicContact CB-CG2 4.15Å; V259-T271 HydrophobicContact CG2-CG2 3.88Å; L269-T271 HydrophobicContact CD2-CG2 3.61Å; T271-L278 CarbonylContact O-C 3.59Å; T271-L278 WeakPolarHBondContact O-CA 3.21Å; T271-L279 PolarHBondContact N-O 2.86Å; T271-L279 PolarHBondContact O-N 2.94Å; T271-W281 PolarHBondContact OG1-NE1 2.88Å
272C98.4Very high95.4Very high0 Ų024 Ų240%013%0.132CC..EExtended strand (participates in β ladder)trans-128.8159.617264.90000112.3M256 W257 E258 S277 L278 V343 L346M256-C272 WeakPolarHBondContact CG-O 3.15Å; W257-C272 PolarHBondContact N-O 2.98Å; E258-C272 PolarHBondContact O-N 2.98Å; E258-C272 VanDerWaalsContact O-N 3.11Å; C272-S277 WeakPolarHBondContact CA-O 3.12Å; C272-L278 HydrophobicContact CB-CG 4.38Å; C272-V343 HydrophobicContact CB-CB 3.86Å; C272-V343 HydrophobicContact CB-CG1 3.51Å; C272-V343 WeakPolarHBondContact CB-O 3.2Å; C272-V343 PolarHBondContact SG-O 2.84Å; C272-L346 HydrophobicContact CB-CD2 3.81Å
273S98.4Very high94.9Very high0 Ų024.1 Ų24.10%013%0.133CC..EExtended strand (participates in β ladder)trans-147.8157.3-163.2167.60000113.6H252 E255 D275 G276 S277 V343H252-S273 WeakPolarHBondContact CB-OG 3.4Å; H252-S273 WeakPolarHBondContact ND1-CB 3.47Å; E255-S273 CarbonylContact O-C 3.58Å; E255-S273 VanDerWaalsContact O-CA 3.24Å; E255-S273 WeakPolarHBondContact O-CA 3.29Å; E255-S273 PolarHBondContact O-OG 2.97Å; S273-D275 WeakPolarHBondContact CB-OD1 3.41Å; S273-D275 PolarHBondContact O-N 2.95Å; S273-D275 PolarHBondContact OG-N 3.11Å; S273-D275 VanDerWaalsContact OG-N 3.09Å; S273-D275 PolarHBondContact OG-OD1 3.43Å; S273-G276 PolarHBondContact O-N 3.17Å; S273-S277 PolarHBondContact N-O 2.86Å; S273-S277 VanDerWaalsContact N-O 3.17Å; S273-V343 PolarHBondContact O-N 3.17Å
274E98.4Very high93.8Very high72 Ų7223.2 Ų23.234%0.33613%0.128SC..THydrogen-bonded Turntrans-58.6-27.8170-175.258.5-151.900113A254 E255 W257 G276 S342A254-E274 HydrophobicContact CB-CB 3.9Å; A254-E274 HydrophobicContact CB-CG 4.36Å; E255-E274 HydrophobicContact CB-CB 4.02Å; E255-E274 PolarHBondContact O-N 3.35Å; W257-E274 HydrophobicContact CZ2-CB 4.2Å; W257-E274 HydrophobicContact CZ2-CG 4.45Å; W257-E274 WeakPolarHBondContact CZ2-OE2 3.23Å; W257-E274 PolarHBondContact NE1-OE2 3.17Å; E274-G276 PolarHBondContact O-N 2.86Å; E274-S342 WeakPolarHBondContact CA-OG 3.37Å; E274-S342 WeakPolarHBondContact OE2-CB 3Å; E274-S342 PolarHBondContact OE2-OG 2.59Å
275D96.9Very high92.2Very high53 Ų5320.8 Ų20.828%0.28311%0.114SC..THydrogen-bonded Turntrans-72.13.3177.169.97.8000114.4H252 S253 A254 S273 S277H252-D275 IonicContact ND1-OD1 3.71Å; S253-D275 PolarHBondContact N-OD2 2.99Å; S253-D275 WeakPolarHBondContact OG-CB 3.39Å; S253-D275 PolarHBondContact OG-OD2 3.36Å; A254-D275 HydrophobicContact CB-CB 3.89Å; S273-D275 WeakPolarHBondContact CB-OD1 3.41Å; S273-D275 PolarHBondContact O-N 2.95Å; S273-D275 PolarHBondContact OG-N 3.11Å; S273-D275 VanDerWaalsContact OG-N 3.09Å; S273-D275 PolarHBondContact OG-OD1 3.43Å; D275-S277 VanDerWaalsContact OD1-CB 3.29Å; D275-S277 WeakPolarHBondContact OD1-CB 3.31Å; D275-S277 PolarHBondContact OD1-N 3.16Å; D275-S277 VanDerWaalsContact OD1-N 3.11Å; D275-S277 PolarHBondContact OD1-OG 2.76Å
276G96.4Very high90.3Very high6 Ų622.5 Ų22.56%0.06213%0.128CC..SBendtrans79.321.2176.900000113.3S273 E274 T340 L341S273-G276 PolarHBondContact O-N 3.17Å; E274-G276 PolarHBondContact O-N 2.86Å; G276-T340 PolarHBondContact O-OG1 2.85Å; G276-L341 VanDerWaalsContact CA-O 3.31Å; G276-L341 WeakPolarHBondContact CA-O 3.42Å
277S96.4Very high88.2Confident15 Ų1526.8 Ų26.811%0.10516%0.158CC..  trans-109.5149.8176.975.90000112.9H252 C272 S273 D275H252-S277 PolarHBondContact CE1-OG 3.01Å; H252-S277 PolarHBondContact ND1-OG 2.83Å; C272-S277 WeakPolarHBondContact CA-O 3.12Å; S273-S277 PolarHBondContact N-O 2.86Å; S273-S277 VanDerWaalsContact N-O 3.17Å; D275-S277 VanDerWaalsContact OD1-CB 3.29Å; D275-S277 WeakPolarHBondContact OD1-CB 3.31Å; D275-S277 PolarHBondContact OD1-N 3.16Å; D275-S277 VanDerWaalsContact OD1-N 3.11Å; D275-S277 PolarHBondContact OD1-OG 2.76Å
278L97.2Very high85.8Confident1 Ų131 Ų311%0.00518%0.176CC..EExtended strand (participates in β ladder)trans-126.3120.3167.3-167.7161.3000107.3F270 T271 C272 M335 L336 V343 L346 L353 C355F270-L278 HydrophobicContact CD1-CD2 4.29Å; T271-L278 CarbonylContact O-C 3.59Å; T271-L278 WeakPolarHBondContact O-CA 3.21Å; C272-L278 HydrophobicContact CB-CG 4.38Å; L278-M335 HydrophobicContact CB-CB 4.38Å; L278-M335 HydrophobicContact CD2-CB 3.63Å; L278-M335 HydrophobicContact CD2-CG 3.64Å; L278-M335 PolarHBondContact O-N 2.99Å; L278-L336 HydrophobicContact CB-CD1 3.63Å; L278-L336 HydrophobicContact CB-CG 3.98Å; L278-L336 HydrophobicContact CD1-CD1 4.42Å; L278-V343 HydrophobicContact CD1-CG1 4.36Å; L278-L346 HydrophobicContact CD1-CB 3.98Å; L278-L346 HydrophobicContact CD1-CD2 4.23Å; L278-L346 HydrophobicContact CG-CD2 4.17Å; L278-L353 HydrophobicContact CD1-CD1 4.19Å; L278-L353 HydrophobicContact CD1-CD2 4.21Å; L278-L353 HydrophobicContact CD2-CD2 4.01Å; L278-C355 HydrophobicContact CD1-CB 3.61Å
279L96.6Very high83.2Confident3 Ų336.9 Ų36.92%0.01621%0.205CC..EExtended strand (participates in β ladder)trans-109.1135.4-178.1-58.7177.9000110.6A251 H252 F270 T271 W281 T332 T333 H334A251-L279 HydrophobicContact CB-CD1 4.48Å; A251-L279 VanDerWaalsContact O-CD1 3.23Å; A251-L279 WeakPolarHBondContact O-CD1 3.48Å; H252-L279 VanDerWaalsContact CE1-CD1 3.41Å; H252-L279 WeakPolarHBondContact CE1-CD1 3.37Å; F270-L279 WeakPolarHBondContact CA-O 3.42Å; T271-L279 PolarHBondContact N-O 2.86Å; T271-L279 PolarHBondContact O-N 2.94Å; L279-W281 HydrophobicContact CD1-CZ2 3.81Å; L279-T332 HydrophobicContact CB-CG2 3.93Å; L279-T332 HydrophobicContact CD1-CG2 4Å; L279-T332 HydrophobicContact CD2-CG2 4.01Å; L279-T332 HydrophobicContact CG-CG2 4.19Å; L279-T333 WeakPolarHBondContact CA-O 3.22Å; L279-H334 HydrophobicContact CD2-CB 4.43Å; L279-H334 VanDerWaalsContact CD2-CE1 3.41Å; L279-H334 WeakPolarHBondContact CD2-CE1 3.24Å; L279-H334 WeakPolarHBondContact CD2-ND1 3.17Å
280H96.4Very high80.3Confident5 Ų541.5 Ų41.52%0.02324%0.235CC..EExtended strand (participates in β ladder)trans-101.9125.8166.6172.2-152.3000108.5H268 F270 T332 T333 M335 P369H268-H280 AromaticContact CG-NE2 3.59Å; H268-H280 AromaticContact ND1-CE1 3.73Å; H268-H280 AromaticContact ND1-NE2 3.06Å; H268-H280 PolarHBondContact ND1-NE2 3.38Å; F270-H280 HydrophobicContact CD1-CB 3.95Å; F270-H280 HydrophobicContact CE1-CB 3.58Å; F270-H280 AromaticContact CE1-CD2 3.34Å; F270-H280 WeakPolarHBondContact CE1-CD2 3.4Å; F270-H280 AromaticContact CE1-CG 3.47Å; F270-H280 VanDerWaalsContact CE1-CG 3.47Å; F270-H280 AromaticContact CE2-CD2 3.82Å; F270-H280 HydrophobicContact CZ-CB 4.33Å; F270-H280 AromaticContact CZ-CD2 3.14Å; F270-H280 WeakPolarHBondContact CZ-CD2 3.41Å; F270-H280 AromaticContact CZ-CG 3.74Å; F270-H280 AromaticContact CZ-NE2 3.53Å; H280-T332 CarbonylContact O-C 3.56Å; H280-T332 VanDerWaalsContact O-CA 3.32Å; H280-T332 WeakPolarHBondContact O-CA 3.43Å; H280-T333 PolarHBondContact N-O 2.96Å; H280-T333 PolarHBondContact O-N 3.04Å; H280-M335 HydrophobicContact CB-CG 3.77Å; H280-M335 HydrophobicContact CB-SD 3.68Å; H280-P369 PolarHBondContact CE1-O 2.7Å; H280-P369 VanDerWaalsContact CE1-O 3.31Å
281W94.9Very high77.5Confident9 Ų946.9 Ų46.93%0.03427%0.273CS..EExtended strand (participates in β ladder)trans-109.9134.1179-56.778.2000109.4L234 M249 A251 H268 L269 T271 L279 W320 E331 T332L234-W281 HydrophobicContact CD2-CD2 4.22Å; L234-W281 HydrophobicContact CD2-CZ2 4.41Å; M249-W281 HydrophobicContact CE-CE3 3.54Å; M249-W281 HydrophobicContact CE-CH2 4.02Å; M249-W281 HydrophobicContact CE-CZ3 3.15Å; A251-W281 HydrophobicContact CB-CH2 3.88Å; A251-W281 HydrophobicContact CB-CZ2 3.37Å; H268-W281 CarbonylContact C-O 3.47Å; H268-W281 VanDerWaalsContact CA-O 3.23Å; H268-W281 WeakPolarHBondContact CA-O 3.49Å; L269-W281 HydrophobicContact CB-CB 4.3Å; L269-W281 HydrophobicContact CD2-CB 4.3Å; L269-W281 VanDerWaalsContact CD2-CD1 3.5Å; L269-W281 HydrophobicContact CD2-CG 3.95Å; L269-W281 PolarHBondContact N-O 2.64Å; L269-W281 WeakPolarHBondContact O-CB 3.28Å; L269-W281 PolarHBondContact O-N 3.11Å; T271-W281 PolarHBondContact OG1-NE1 2.88Å; L279-W281 HydrophobicContact CD1-CZ2 3.81Å; W281-W320 HydrophobicContact CB-CH2 3.69Å; W281-W320 HydrophobicContact CG-CH2 4.49Å; W281-E331 WeakPolarHBondContact CA-O 3.44Å; W281-T332 HydrophobicContact CD2-CG2 4.16Å; W281-T332 HydrophobicContact CE3-CG2 4.23Å; W281-T332 HydrophobicContact CH2-CG2 4.22Å; W281-T332 HydrophobicContact CZ2-CG2 4.12Å; W281-T332 HydrophobicContact CZ3-CG2 4.25Å; W281-T332 WeakPolarHBondContact CZ3-OG1 3.21Å
282E90.9Very high74.9Confident71 Ų7155.8 Ų55.833%0.33231%0.312SS..EExtended strand (participates in β ladder)trans-128132.3177.2178.6171.1-170.500110.7H268 L330 E331H268-E282 VanDerWaalsContact CE1-CD 3.5Å; H268-E282 IonicContact CE1-OE1 3.66Å; H268-E282 IonicContact CE1-OE2 3.72Å; E282-L330 WeakPolarHBondContact O-CA 3.27Å; E282-E331 PolarHBondContact N-O 3.22Å; E282-E331 PolarHBondContact O-N 3.22Å
283T85.9Confident72.2Confident5 Ų562.9 Ų62.93%0.03135%0.349CS..EExtended strand (participates in β ladder)trans-98.4120.2172.4600000111.1D267 S285 A319 W320 R329 L330D267-T283 WeakPolarHBondContact CA-OG1 3.31Å; D267-T283 WeakPolarHBondContact CB-OG1 3.48Å; D267-T283 PolarHBondContact O-N 2.99Å; D267-T283 PolarHBondContact O-OG1 3.09Å; T283-S285 PolarHBondContact O-N 3.38Å; T283-A319 VanDerWaalsContact CB-CB 3.48Å; T283-A319 HydrophobicContact CG2-CB 3.86Å; T283-A319 WeakPolarHBondContact OG1-CB 3.19Å; T283-W320 HydrophobicContact CG2-CD2 3.84Å; T283-W320 HydrophobicContact CG2-CE3 4.19Å; T283-W320 HydrophobicContact CG2-CG 4.37Å; T283-W320 HydrophobicContact CG2-CH2 4.1Å; T283-W320 HydrophobicContact CG2-CZ2 3.73Å; T283-W320 HydrophobicContact CG2-CZ3 4.32Å; T283-R329 WeakPolarHBondContact CA-O 3.41Å; T283-L330 HydrophobicContact CG2-CD2 3.45Å; T283-L330 VanDerWaalsContact CG2-CD2 3.45Å; T283-L330 HydrophobicContact CG2-CG 4.35Å
284S70.1Confident69.4Low35 Ų3572 Ų7225%0.24539%0.392CS..PPolyproline II helixtrans-74.7123.7176-34.30000111.5R329S284-R329 PolarHBondContact N-O 2.83Å; S284-R329 PolarHBondContact OG-O 2.68Å
285S57.7Low66.5Low37 Ų3772.2 Ų72.226%0.25941%0.413SS..PPolyproline II helixtrans-64.4147.5173.573.70000111.4T283 S287 E288T283-S285 PolarHBondContact O-N 3.38Å; S285-S287 PolarHBondContact O-N 3.35Å; S285-S287 PolarHBondContact OG-OG 2.94Å; S285-E288 PolarHBondContact O-N 3.04Å
286P51.3Low63.3Low82 Ų8273.2 Ų73.253%0.53244%0.435SS..THydrogen-bonded Turntrans-63.8-7.8179.722.6-30.9000115.2
287S47.2Very low60.5Low102 Ų10284 Ų8471%0.71347%0.474SS*.THydrogen-bonded Turntrans-82.7-12.717932.20000114.9S285S285-S287 PolarHBondContact O-N 3.35Å; S285-S287 PolarHBondContact OG-OG 2.94Å
288E41.6Very low57.5Low148 Ų14890.2 Ų90.269%0.69251%0.507SS*.  trans-10234.5-173.5-62.6-161.615500114.5S285 P290S285-E288 PolarHBondContact O-N 3.04Å; E288-P290 WeakPolarHBondContact O-CD 3.49Å
289M38.7Very low54.6Low131 Ų13195.7 Ų95.765%0.64555%0.545SS*.  trans-81.1122.1159.5-84.2-71.2-78.100108.9S291 L293M289-S291 PolarHBondContact O-N 3.41Å; M289-L293 HydrophobicContact CE-CD1 3.75Å
290P36.9Very low51.5Low97 Ų97101.5 Ų101.563%0.6359%0.586SS**  trans-55.3133.5165.6-17.829000108.2E288 F292E288-P290 WeakPolarHBondContact O-CD 3.49Å; P290-F292 PolarHBondContact O-N 3.5Å
291S39.5Very low48.6Very low112 Ų112109.5 Ų109.578%0.78363%0.625SS**G310 helixtrans-63.520.4178.953.80000114.5M289M289-S291 PolarHBondContact O-N 3.41Å
292F43.3Very low45.6Very low188 Ų188115.8 Ų115.883%0.82567%0.665SS**G310 helixtrans-84.7-8.9-172.8-145.4-96.8000113.9P290P290-F292 PolarHBondContact O-N 3.5Å
293L41.4Very low43Very low149 Ų149117.6 Ų117.678%0.7869%0.685SS**G310 helixtrans-97.74.8175.1-65.1-179.8000114.5M289 G295M289-L293 HydrophobicContact CE-CD1 3.75Å; L293-G295 VanDerWaalsContact C-N 3.34Å
294Q39.5Very low40.4Very low192 Ų192129 Ų12990%0.89773%0.728SS**SBendtrans-96.731173-101.1-178.68.700113.5
295G37Very low38.9Very low76 Ų76133.1 Ų133.178%0.78476%0.756SS**  trans-122.152.5-177.300000114.4L293L293-G295 VanDerWaalsContact C-N 3.34Å
296G30.4Very low37.6Very low73 Ų73136 Ų13675%0.75378%0.782SS**  trans-142.192.517500000112.1
297R37.3Very low36.7Very low233 Ų233140.8 Ų140.888%0.87980%0.8SS**  trans-71.5132.5175.1-65.2164.790.91745.4109.8
298N34.4Very low36.1Very low146 Ų146140.3 Ų140.378%0.78180%0.802SS**  -172.7121.7112-88.8-14000114.7
299S35.9Very low35.7Very low115 Ų115139 Ų13980%0.80481%0.806SS**  trans55.1122.1144.758.40000121.2
300S31.3Very low35.8Very low126 Ų126138 Ų13888%0.88182%0.819SS**  trans162.264.2-175.51570000112.9T302S300-T302 PolarHBondContact O-N 3.15Å
301M34.9Very low35.8Very low173 Ų173137.4 Ų137.485%0.85283%0.83SS**  trans-59.5131.4176.5-85.3-139.7-99.400112.5
302T31.8Very low35.1Very low141 Ų141135.1 Ų135.187%0.86583%0.825SS**  -168126.112022.30000110.5S300S300-T302 PolarHBondContact O-N 3.15Å
303S36.4Very low34.8Very low109 Ų109134.7 Ų134.776%0.76283%0.829SS**  trans-63.3143.6177.6-56.60000112.9
304R30.9Very low34.6Very low244 Ų244135.7 Ų135.792%0.92183%0.83SS**  -167.2117.6116.3-101.3166.5-174.8-145.91110.8
305S38.7Very low34.8Very low121 Ų121131.5 Ų131.585%0.84682%0.822SS**  trans-50127.3169.346.20000113.2
306A30.4Very low35.8Very low97 Ų97134.4 Ų134.480%0.80282%0.818SS**  trans-133.9105.3149.900000107A308A306-A308 PolarHBondContact O-N 3.14Å
307M33.9Very low37.5Very low184 Ų184135.3 Ų135.391%0.90681%0.805SS**PPolyproline II helixtrans-64.5117.6161.7-70-163.482.400106.7
308A33.3Very low39.3Very low91 Ų91124.5 Ų124.575%0.75276%0.764SS**PPolyproline II helixtrans-69135.1166.500000108.2A306A306-A308 PolarHBondContact O-N 3.14Å
309P33Very low41.5Very low121 Ų121118.4 Ų118.479%0.78673%0.734SS**PPolyproline II helixtrans-71.2134.7-177.919.1-14.1000110.1G311P309-G311 PolarHBondContact O-N 3.43Å
310A41.5Very low43.8Very low110 Ų110113.2 Ų113.291%0.90970%0.697SS**SBendtrans-63.4123161.400000108.4
311G36.4Very low46.3Very low84 Ų84107.9 Ų107.987%0.86666%0.659SS**  trans117.764.9175.700000114.1P309P309-G311 PolarHBondContact O-N 3.43Å
312G26.1Very low48.2Very low65 Ų65103.6 Ų103.667%0.6763%0.633SS**  trans-134.6125.1160.200000107.9Q314G312-Q314 PolarHBondContact O-N 3.49Å
313I36.4Very low49.5Very low179 Ų17998.7 Ų98.792%0.91861%0.611SS**  trans-66.386.1168.4-58.9172000105.9S315I313-S315 PolarHBondContact O-N 3.27Å
314Q37.8Very low50.3Low170 Ų17099.3 Ų99.379%0.79461%0.606SS**  trans-64.6115.4162-95.4169.5-15.400105.3G312 I316G312-Q314 PolarHBondContact O-N 3.49Å; Q314-I316 PolarHBondContact O-N 2.68Å
315S43Very low51.3Low104 Ų10493.5 Ų93.573%0.72760%0.603SS**  trans-54.499.6159.91780000105.9I313 I317I313-S315 PolarHBondContact O-N 3.27Å; S315-I317 PolarHBondContact O-N 3.16Å
316I58.6Low51.9Low137 Ų13788.6 Ų88.670%0.70357%0.568SS**  trans-64.9103.6178.1-60.8171.5000105.1Q221 Q314 S318Q221-I316 PolarHBondContact NE2-O 2.78Å; Q314-I316 PolarHBondContact O-N 2.68Å; I316-S318 PolarHBondContact O-N 3.03Å
317I65.6Low53Low92 Ų9289 Ų8947%0.47255%0.552SS.*  trans-58.5126.4171.4-63.6173.6000105.6S315 L321S315-I317 PolarHBondContact O-N 3.16Å; I317-L321 HydrophobicContact CG2-CB 3.8Å
318S75.3Confident53.8Low5 Ų585.6 Ų85.64%0.03555%0.547CS..  trans-52.2142.9177.1-174.10000110.2H218 I316 W320 L321H218-S318 PolarHBondContact CD2-OG 3.48Å; H218-S318 PolarHBondContact NE2-OG 3.3Å; I316-S318 PolarHBondContact O-N 3.03Å; S318-W320 PolarHBondContact O-N 3.33Å; S318-W320 VanDerWaalsContact O-N 3.15Å; S318-L321 PolarHBondContact O-N 3.03Å
319A79.6Confident55.3Low18 Ų1885.9 Ų85.915%0.14953%0.528CS..G310 helixtrans-62.8-24.3179.900000113.1T283 L321 Y322T283-A319 VanDerWaalsContact CB-CB 3.48Å; T283-A319 HydrophobicContact CG2-CB 3.86Å; T283-A319 WeakPolarHBondContact OG1-CB 3.19Å; A319-L321 PolarHBondContact O-N 3.19Å; A319-Y322 VanDerWaalsContact CA-CE2 3.5Å; A319-Y322 HydrophobicContact CB-CD2 3.92Å; A319-Y322 HydrophobicContact CB-CE2 3.87Å; A319-Y322 WeakPolarHBondContact O-CD2 3.35Å; A319-Y322 PolarHBondContact O-N 3.3Å
320W84.8Confident57.6Low7 Ų782.1 Ų82.13%0.02750%0.501CS..G310 helixtrans-63.5-15.4171.2-61.9105.4000114.5V236 F261 P266 L269 W281 T283 S318 L330V236-W320 HydrophobicContact CG1-CB 4.14Å; V236-W320 HydrophobicContact CG2-CE3 4.18Å; F261-W320 AromaticContact CE1-CD1 3.73Å; F261-W320 HydrophobicContact CE1-CD2 4.16Å; F261-W320 AromaticContact CE1-CE2 3.93Å; F261-W320 HydrophobicContact CE1-CG 4.06Å; F261-W320 AromaticContact CE1-NE1 3.64Å; P266-W320 PolarHBondContact O-NE1 3.21Å; L269-W320 HydrophobicContact CB-CH2 3.6Å; L269-W320 HydrophobicContact CB-CZ2 3.44Å; L269-W320 VanDerWaalsContact CB-CZ2 3.44Å; L269-W320 HydrophobicContact CD1-CH2 4.22Å; L269-W320 HydrophobicContact CD1-CZ2 4.33Å; L269-W320 HydrophobicContact CD1-CZ3 4.47Å; L269-W320 HydrophobicContact CD2-CH2 4.44Å; L269-W320 HydrophobicContact CG-CH2 4.32Å; L269-W320 HydrophobicContact CG-CZ2 4.45Å; W281-W320 HydrophobicContact CB-CH2 3.69Å; W281-W320 HydrophobicContact CG-CH2 4.49Å; T283-W320 HydrophobicContact CG2-CD2 3.84Å; T283-W320 HydrophobicContact CG2-CE3 4.19Å; T283-W320 HydrophobicContact CG2-CG 4.37Å; T283-W320 HydrophobicContact CG2-CH2 4.1Å; T283-W320 HydrophobicContact CG2-CZ2 3.73Å; T283-W320 HydrophobicContact CG2-CZ3 4.32Å; S318-W320 PolarHBondContact O-N 3.33Å; S318-W320 VanDerWaalsContact O-N 3.15Å; W320-L330 HydrophobicContact CE3-CD2 4.18Å; W320-L330 HydrophobicContact CH2-CD2 3.86Å; W320-L330 HydrophobicContact CZ3-CD2 3.58Å
321L83.1Confident59.7Low13 Ų1382.7 Ų82.77%0.06849%0.485CS..G310 helixtrans-110.323.8176.4-59.1-176.8000113.2I224 V236 D238 F246 I317 S318 A319I224-L321 HydrophobicContact CD1-CD1 3.55Å; I224-L321 HydrophobicContact CD1-CG 3.77Å; I224-L321 HydrophobicContact CG1-CD1 3.81Å; I224-L321 HydrophobicContact CG1-CG 4.2Å; V236-L321 HydrophobicContact CG1-CD2 4.14Å; D238-L321 HydrophobicContact CB-CD1 4.24Å; D238-L321 HydrophobicContact CB-CD2 4.16Å; F246-L321 HydrophobicContact CB-CD2 3.91Å; F246-L321 HydrophobicContact CD1-CB 4.33Å; F246-L321 HydrophobicContact CD1-CD2 3.86Å; F246-L321 HydrophobicContact CD2-CD2 4.14Å; F246-L321 HydrophobicContact CE1-CB 4.17Å; F246-L321 WeakPolarHBondContact CE1-O 3.45Å; F246-L321 HydrophobicContact CG-CD2 3.67Å; F246-L321 HydrophobicContact CZ-CB 4.27Å; F246-L321 WeakPolarHBondContact CZ-O 3.49Å; I317-L321 HydrophobicContact CG2-CB 3.8Å; S318-L321 PolarHBondContact O-N 3.03Å; A319-L321 PolarHBondContact O-N 3.19Å
322Y75.1Confident62.2Low83 Ų8381.5 Ų81.533%0.32546%0.461SS..  trans-86.6131.7167.9-68.9-59.6000111.2A319 S326A319-Y322 VanDerWaalsContact CA-CE2 3.5Å; A319-Y322 HydrophobicContact CB-CD2 3.92Å; A319-Y322 HydrophobicContact CB-CE2 3.87Å; A319-Y322 WeakPolarHBondContact O-CD2 3.35Å; A319-Y322 PolarHBondContact O-N 3.3Å; Y322-S326 WeakPolarHBondContact CB-OG 3.41Å; Y322-S326 PolarHBondContact O-OG 3.28Å
323G59.9Low65.4Low39 Ų3982 Ų8240%0.40245%0.451SS..  trans-69.1168.5-174.800000114.6S325 S326G323-S325 PolarHBondContact O-N 2.95Å; G323-S326 PolarHBondContact O-N 3.09Å; G323-S326 PolarHBondContact O-OG 3.11Å
324D53.8Low68.1Low121 Ų12179.8 Ų79.865%0.64744%0.437SS*.G310 helixtrans-40.6-30.3-168.2-85-37.9000117.8S326 K327D324-S326 PolarHBondContact O-N 3.26Å; D324-S326 VanDerWaalsContact O-N 3.15Å; D324-K327 PolarHBondContact O-N 2.72Å; D324-K327 WeakPolarHBondContact OD1-CE 3.42Å; D324-K327 IonicContact OD1-NZ 3.38Å; D324-K327 PolarHBondContact OD1-NZ 3.21Å
325S50.5Low70.7Confident123 Ų12373 Ų7386%0.8641%0.405SS*.G310 helixtrans-64.7-10.1175.453.50000115.2G323G323-S325 PolarHBondContact O-N 2.95Å
326S51.5Low72.9Confident17 Ų1768.9 Ų68.912%0.11938%0.375CS..G310 helixtrans-112.210.6-179.759.30000114.6Y322 G323 D324 S328 R329Y322-S326 WeakPolarHBondContact CB-OG 3.41Å; Y322-S326 PolarHBondContact O-OG 3.28Å; G323-S326 PolarHBondContact O-N 3.09Å; G323-S326 PolarHBondContact O-OG 3.11Å; D324-S326 PolarHBondContact O-N 3.26Å; D324-S326 VanDerWaalsContact O-N 3.15Å; S326-S328 PolarHBondContact O-N 3.4Å; S326-R329 VanDerWaalsContact O-CB 3.31Å; S326-R329 WeakPolarHBondContact O-CB 3.07Å; S326-R329 WeakPolarHBondContact O-CG 3.29Å; S326-R329 PolarHBondContact O-N 3.06Å
327K54Low74Confident106 Ų10666 Ų6646%0.46137%0.366SS..G310 helixtrans-56.1-20.8173.3-76.1-179.6167.8163.80113.2D324 R329D324-K327 PolarHBondContact O-N 2.72Å; D324-K327 WeakPolarHBondContact OD1-CE 3.42Å; D324-K327 IonicContact OD1-NZ 3.38Å; D324-K327 PolarHBondContact OD1-NZ 3.21Å; K327-R329 PolarHBondContact O-N 3.47Å; K327-R329 VanDerWaalsContact O-N 3.11Å
328S51.3Low74.4Confident113 Ų11366.9 Ų66.979%0.7938%0.379SS*.G310 helixtrans-69.25.8170.972.80000115.1S326S326-S328 PolarHBondContact O-N 3.4Å
329R63.8Low74.4Confident96 Ų9675.8 Ų75.836%0.36242%0.421SS..G310 helixtrans-1134.2-178.5-57.2-177-176.7-126.1-0.9113.5T283 S284 S326 K327T283-R329 WeakPolarHBondContact CA-O 3.41Å; S284-R329 PolarHBondContact N-O 2.83Å; S284-R329 PolarHBondContact OG-O 2.68Å; S326-R329 VanDerWaalsContact O-CB 3.31Å; S326-R329 WeakPolarHBondContact O-CB 3.07Å; S326-R329 WeakPolarHBondContact O-CG 3.29Å; S326-R329 PolarHBondContact O-N 3.06Å; K327-R329 PolarHBondContact O-N 3.47Å; K327-R329 VanDerWaalsContact O-N 3.11Å
330L81.7Confident74.9Confident43 Ų4376 Ų7623%0.22542%0.42CS..EExtended strand (participates in β ladder)trans-106.4113.6178.6-78.7153000107.4M249 E282 T283 W320M249-L330 HydrophobicContact CE-CB 4.34Å; M249-L330 HydrophobicContact CE-CD1 3.64Å; M249-L330 HydrophobicContact CE-CD2 4.33Å; M249-L330 HydrophobicContact CE-CG 4.32Å; M249-L330 HydrophobicContact SD-CD1 3.82Å; E282-L330 WeakPolarHBondContact O-CA 3.27Å; T283-L330 HydrophobicContact CG2-CD2 3.45Å; T283-L330 VanDerWaalsContact CG2-CD2 3.45Å; T283-L330 HydrophobicContact CG2-CG 4.35Å; W320-L330 HydrophobicContact CE3-CD2 4.18Å; W320-L330 HydrophobicContact CH2-CD2 3.86Å; W320-L330 HydrophobicContact CZ3-CD2 3.58Å
331E85.5Confident75.4Confident121 Ų12180.9 Ų80.957%0.56545%0.446SS*.EExtended strand (participates in β ladder)trans-101139.2173.5-63.3-169.2176.900109W281 E282W281-E331 WeakPolarHBondContact CA-O 3.44Å; E282-E331 PolarHBondContact N-O 3.22Å; E282-E331 PolarHBondContact O-N 3.22Å
332T89.9Confident76.1Confident60 Ų6080.5 Ų80.537%0.36845%0.445SS..EExtended strand (participates in β ladder)trans-125.3127.9-178-49.40000109.5L279 H280 W281L279-T332 HydrophobicContact CB-CG2 3.93Å; L279-T332 HydrophobicContact CD1-CG2 4Å; L279-T332 HydrophobicContact CD2-CG2 4.01Å; L279-T332 HydrophobicContact CG-CG2 4.19Å; H280-T332 CarbonylContact O-C 3.56Å; H280-T332 VanDerWaalsContact O-CA 3.32Å; H280-T332 WeakPolarHBondContact O-CA 3.43Å; W281-T332 HydrophobicContact CD2-CG2 4.16Å; W281-T332 HydrophobicContact CE3-CG2 4.23Å; W281-T332 HydrophobicContact CH2-CG2 4.22Å; W281-T332 HydrophobicContact CZ2-CG2 4.12Å; W281-T332 HydrophobicContact CZ3-CG2 4.25Å; W281-T332 WeakPolarHBondContact CZ3-OG1 3.21Å
333T92.6Very high77.2Confident74 Ų7476.5 Ų76.545%0.45443%0.429SS..EExtended strand (participates in β ladder)trans-121.6130.8179.2-58.70000110.4L279 H280 M335L279-T333 WeakPolarHBondContact CA-O 3.22Å; H280-T333 PolarHBondContact N-O 2.96Å; H280-T333 PolarHBondContact O-N 3.04Å; T333-M335 HydrophobicContact CG2-SD 4.3Å
334H93.2Very high79Confident134 Ų13475.2 Ų75.262%0.6241%0.413SS*.EExtended strand (participates in β ladder)trans-76.3126.4170.4-73.1-101000110.1L279L279-H334 HydrophobicContact CD2-CB 4.43Å; L279-H334 VanDerWaalsContact CD2-CE1 3.41Å; L279-H334 WeakPolarHBondContact CD2-CE1 3.24Å; L279-H334 WeakPolarHBondContact CD2-ND1 3.17Å
335M92.1Very high81.1Confident27 Ų2769.4 Ų69.413%0.13338%0.382CS..  trans-96.7-20.7-173-62.5-60.4-72.900113.7M1 L278 H280 T333 L353 V368M1-M335 HydrophobicContact CE-CB 4.38Å; M1-M335 VanDerWaalsContact SD-O 3.37Å; L278-M335 HydrophobicContact CB-CB 4.38Å; L278-M335 HydrophobicContact CD2-CB 3.63Å; L278-M335 HydrophobicContact CD2-CG 3.64Å; L278-M335 PolarHBondContact O-N 2.99Å; H280-M335 HydrophobicContact CB-CG 3.77Å; H280-M335 HydrophobicContact CB-SD 3.68Å; T333-M335 HydrophobicContact CG2-SD 4.3Å; M335-L353 HydrophobicContact CE-CD2 4.17Å; M335-V368 HydrophobicContact CE-CG1 3.9Å; M335-V368 HydrophobicContact CE-CG2 4.17Å
336L89.4Confident83.4Confident17 Ų1763.6 Ų63.69%0.08934%0.341CS..SBendtrans-109.3155.6-179-69.8170.5000111.7M1 L278 T340 V343 F363M1-L336 HydrophobicContact CE-CD2 4.16Å; M1-L336 HydrophobicContact SD-CD2 3.38Å; M1-L336 WeakPolarHBondContact SD-CD2 3.32Å; M1-L336 HydrophobicContact SD-CG 4.31Å; L278-L336 HydrophobicContact CB-CD1 3.63Å; L278-L336 HydrophobicContact CB-CG 3.98Å; L278-L336 HydrophobicContact CD1-CD1 4.42Å; L336-T340 HydrophobicContact CB-CG2 4.29Å; L336-V343 HydrophobicContact CD1-CB 4.48Å; L336-V343 HydrophobicContact CD1-CG1 4.17Å; L336-V343 HydrophobicContact CD1-CG2 3.46Å; L336-V343 VanDerWaalsContact CD1-CG2 3.46Å; L336-F363 HydrophobicContact CD2-CB 3.82Å; L336-F363 HydrophobicContact CD2-CD1 3.55Å; L336-F363 HydrophobicContact CD2-CD2 3.81Å; L336-F363 HydrophobicContact CD2-CE1 3.98Å; L336-F363 HydrophobicContact CD2-CE2 4.25Å; L336-F363 HydrophobicContact CD2-CG 3.44Å; L336-F363 VanDerWaalsContact CD2-CG 3.44Å; L336-F363 HydrophobicContact CD2-CZ 4.32Å
337P82.4Confident85.6Confident78 Ų7864 Ų6451%0.50634%0.342SS..  trans-57.2153.3171.4-21.132.5000112.2Q339P337-Q339 PolarHBondContact O-N 2.86Å
338S73.4Confident87.5Confident109 Ų10959.1 Ų59.176%0.76232%0.321SS*.THydrogen-bonded Turntrans-61.5136.2168.755.80000110.3
339Q75.1Confident89.4Confident192 Ų19255.6 Ų55.690%0.89729%0.293SS*.THydrogen-bonded Turntrans85.231.8177-481741.400117P337P337-Q339 PolarHBondContact O-N 2.86Å
340T88.9Confident90.7Very high24 Ų2452.4 Ų52.415%0.14729%0.29CS..  trans-75.8154.4162.978.90000110.8G276 L336 F363G276-T340 PolarHBondContact O-OG1 2.85Å; L336-T340 HydrophobicContact CB-CG2 4.29Å; T340-F363 HydrophobicContact CG2-CZ 4.06Å
341L95.8Very high91.1Very high108 Ų10854.6 Ų54.657%0.56530%0.299SS*.  trans-70.9176163.5-62.3-176.4000109.5G276 V343 D358G276-L341 VanDerWaalsContact CA-O 3.31Å; G276-L341 WeakPolarHBondContact CA-O 3.42Å; L341-V343 PolarHBondContact O-N 2.84Å; L341-D358 HydrophobicContact CB-CB 4.01Å; L341-D358 HydrophobicContact CD1-CB 4.47Å
342S97.9Very high91.4Very high5 Ų548.9 Ų48.94%0.03527%0.272CS..  trans-38.9129.4179.1-174.90000113.7W257 E274 N344 T357 D358W257-S342 PolarHBondContact NE1-OG 2.89Å; W257-S342 VanDerWaalsContact NE1-OG 3.17Å; E274-S342 WeakPolarHBondContact CA-OG 3.37Å; E274-S342 WeakPolarHBondContact OE2-CB 3Å; E274-S342 PolarHBondContact OE2-OG 2.59Å; S342-N344 PolarHBondContact OG-OD1 2.92Å; S342-T357 CarbonylContact O-C 3.57Å; S342-T357 WeakPolarHBondContact O-CA 3.44Å; S342-T357 WeakPolarHBondContact O-CB 3.43Å; S342-D358 PolarHBondContact O-N 2.65Å
343V98.2Very high91.7Very high0 Ų046 Ų460%026%0.255CS..EExtended strand (participates in β ladder)trans-99.496176.4-1750000107.5C272 S273 L278 L336 L341 C355 T357C272-V343 HydrophobicContact CB-CB 3.86Å; C272-V343 HydrophobicContact CB-CG1 3.51Å; C272-V343 WeakPolarHBondContact CB-O 3.2Å; C272-V343 PolarHBondContact SG-O 2.84Å; S273-V343 PolarHBondContact O-N 3.17Å; L278-V343 HydrophobicContact CD1-CG1 4.36Å; L336-V343 HydrophobicContact CD1-CB 4.48Å; L336-V343 HydrophobicContact CD1-CG1 4.17Å; L336-V343 HydrophobicContact CD1-CG2 3.46Å; L336-V343 VanDerWaalsContact CD1-CG2 3.46Å; L341-V343 PolarHBondContact O-N 2.84Å; V343-C355 HydrophobicContact CG1-CB 4.07Å; V343-T357 HydrophobicContact CB-CG2 4.41Å; V343-T357 HydrophobicContact CG1-CG2 4.4Å; V343-T357 HydrophobicContact CG2-CG2 3.95Å
344N98.3Very high91.8Very high11 Ų1142.5 Ų42.56%0.05923%0.233CC..EExtended strand (participates in β ladder)trans-78.4-25.6-167.6-58.6-43.3000113.9I11 W35 S342 G356 D358I11-N344 VanDerWaalsContact O-CB 3.3Å; I11-N344 WeakPolarHBondContact O-CB 3.47Å; I11-N344 PolarHBondContact O-ND2 2.86Å; W35-N344 PolarHBondContact NE1-ND2 2.83Å; S342-N344 PolarHBondContact OG-OD1 2.92Å; N344-G356 PolarHBondContact N-O 2.88Å; N344-G356 VanDerWaalsContact N-O 3.09Å; N344-D358 PolarHBondContact ND2-N 2.79Å; N344-D358 PolarHBondContact ND2-OD1 2.82Å
345S98.3Very high92Very high0 Ų036.1 Ų36.10%020%0.204CC..EExtended strand (participates in β ladder)trans-157.5148.5-174.7-169.60000112.5S12 K13 T14 R15 E258 C355 G356S12-S345 WeakPolarHBondContact O-CB 3.24Å; K13-S345 WeakPolarHBondContact CA-OG 2.94Å; T14-S345 PolarHBondContact N-OG 2.79Å; R15-S345 PolarHBondContact NH1-OG 2.97Å; E258-S345 VanDerWaalsContact CD-OG 3.22Å; E258-S345 WeakPolarHBondContact OE1-CB 3.31Å; E258-S345 PolarHBondContact OE1-OG 3.24Å; E258-S345 PolarHBondContact OE2-OG 3.38Å; E258-S345 VanDerWaalsContact OE2-OG 3.07Å; S345-C355 CarbonylContact O-C 3.58Å; S345-C355 WeakPolarHBondContact O-CA 3.41Å; S345-C355 WeakPolarHBondContact O-CB 3.42Å; S345-G356 PolarHBondContact O-N 2.92Å
346L97.8Very high92.3Very high0 Ų034.8 Ų34.80%020%0.197CC..EExtended strand (participates in β ladder)trans-138.9155.1172.574.188.9000110.2R15 E258 H260 F270 C272 L278 M348 L353 V354 C355R15-L346 PolarHBondContact NH1-O 2.72Å; E258-L346 PolarHBondContact OE2-N 2.91Å; H260-L346 HydrophobicContact CB-CD1 4.13Å; H260-L346 PolarHBondContact NE2-O 3.01Å; F270-L346 HydrophobicContact CB-CD1 3.76Å; F270-L346 HydrophobicContact CB-CD2 3.99Å; C272-L346 HydrophobicContact CB-CD2 3.81Å; L278-L346 HydrophobicContact CD1-CB 3.98Å; L278-L346 HydrophobicContact CD1-CD2 4.23Å; L278-L346 HydrophobicContact CG-CD2 4.17Å; L346-M348 HydrophobicContact CD1-CG 4.06Å; L346-L353 HydrophobicContact CB-CD1 4.19Å; L346-L353 HydrophobicContact CD1-CD1 4.39Å; L346-V354 CarbonylContact C-O 3.56Å; L346-V354 VanDerWaalsContact CA-O 3.26Å; L346-V354 WeakPolarHBondContact CA-O 2.99Å; L346-C355 HydrophobicContact CB-CB 4Å
347D97.8Very high92.7Very high27 Ų2734.1 Ų34.114%0.14419%0.194CC..EExtended strand (participates in β ladder)trans-147149.4165.3-163.811.7000111.7T14 R15 W16 L353 V354T14-D347 WeakPolarHBondContact O-CB 3.3Å; R15-D347 WeakPolarHBondContact CA-OD2 3.28Å; W16-D347 PolarHBondContact N-OD2 3.31Å; W16-D347 PolarHBondContact NE1-O 3.47Å; D347-L353 WeakPolarHBondContact O-CA 3.39Å; D347-V354 HydrophobicContact CB-CG1 4.03Å; D347-V354 PolarHBondContact N-O 3.44Å; D347-V354 PolarHBondContact O-N 2.88Å
348M93.9Very high93.4Very high2 Ų231.6 Ų31.61%0.0118%0.176CC..EExtended strand (participates in β ladder)trans-133.5120.1-168.4-71.6-81.5-4800109.8P263 F270 L346 C352 L353 V368 V370P263-M348 WeakPolarHBondContact CG-O 3.41Å; F270-M348 HydrophobicContact CB-CG 4.32Å; F270-M348 HydrophobicContact CD1-CE 4.23Å; F270-M348 HydrophobicContact CD1-CG 4.29Å; F270-M348 HydrophobicContact CD1-SD 3.67Å; F270-M348 HydrophobicContact CD2-CE 3.78Å; F270-M348 HydrophobicContact CD2-CG 3.72Å; F270-M348 HydrophobicContact CD2-SD 3.86Å; F270-M348 HydrophobicContact CE1-CE 3.65Å; F270-M348 HydrophobicContact CE1-SD 3.59Å; F270-M348 VanDerWaalsContact CE1-SD 3.59Å; F270-M348 HydrophobicContact CE2-CE 3.19Å; F270-M348 HydrophobicContact CE2-CG 4.18Å; F270-M348 HydrophobicContact CE2-SD 3.84Å; F270-M348 HydrophobicContact CG-CE 4.29Å; F270-M348 HydrophobicContact CG-CG 3.82Å; F270-M348 HydrophobicContact CG-SD 3.81Å; F270-M348 HydrophobicContact CZ-CE 3.1Å; F270-M348 HydrophobicContact CZ-SD 3.69Å; L346-M348 HydrophobicContact CD1-CG 4.06Å; M348-C352 WeakPolarHBondContact CA-O 3.47Å; M348-L353 HydrophobicContact CG-CD1 3.91Å; M348-L353 HydrophobicContact SD-CB 3.52Å; M348-L353 VanDerWaalsContact SD-CB 3.52Å; M348-L353 HydrophobicContact SD-CD1 3.44Å; M348-L353 WeakPolarHBondContact SD-CD1 3.42Å; M348-L353 HydrophobicContact SD-CD2 4.26Å; M348-L353 HydrophobicContact SD-CG 3.89Å; M348-V368 HydrophobicContact CE-CG1 4.22Å; M348-V370 HydrophobicContact CE-CG1 4.22Å
349L92.3Very high94.4Very high39 Ų3927.5 Ų27.520%0.20415%0.151CC..EExtended strand (participates in β ladder)trans-138.5109.9174.3-171.359.6000110.8W16 V19 P27 Q351 C352W16-L349 HydrophobicContact CB-CB 3.99Å; W16-L349 HydrophobicContact CB-CD2 3.95Å; W16-L349 HydrophobicContact CG-CB 4.02Å; V19-L349 HydrophobicContact CG2-CD2 4.15Å; P27-L349 HydrophobicContact CB-CD2 3.98Å; P27-L349 HydrophobicContact CB-CG 4.43Å; P27-L349 HydrophobicContact CG-CB 4.07Å; P27-L349 HydrophobicContact CG-CD2 4.33Å; P27-L349 HydrophobicContact CG-CG 4.23Å; P27-L349 WeakPolarHBondContact CG-O 3.5Å; L349-Q351 PolarHBondContact O-N 3.27Å; L349-C352 PolarHBondContact N-O 3.09Å; L349-C352 WeakPolarHBondContact O-CB 3.35Å; L349-C352 PolarHBondContact O-N 3.05Å
350G90Very high95.5Very high30 Ų3022 Ų2231%0.30913%0.125SC..THydrogen-bonded Turntrans59.4-132.3-16700000110.4H262 C352H262-G350 PolarHBondContact NE2-O 3.34Å; H262-G350 VanDerWaalsContact NE2-O 3.08Å; G350-C352 PolarHBondContact O-N 3.18Å
351Q91.1Very high95.7Very high89 Ų8920.9 Ų20.942%0.41612%0.119SC..THydrogen-bonded Turntrans-83.96.6178.8-63.5177.6-5.800113.6L349 R366 Q367 V368 V370L349-Q351 PolarHBondContact O-N 3.27Å; Q351-R366 CarbonylContact O-C 3.6Å; Q351-Q367 PolarHBondContact O-N 2.94Å; Q351-V368 PolarHBondContact O-N 3.14Å; Q351-V370 HydrophobicContact CG-CG2 4.02Å
352C92.2Very high95.7Very high0 Ų015.8 Ų15.80%09%0.092CC..EExtended strand (participates in β ladder)trans-101.9118.3-176.3-63.80000111.4W16 P27 M348 L349 G350 N365W16-C352 HydrophobicContact CH2-CB 4.43Å; W16-C352 HydrophobicContact CZ2-CB 3.84Å; W16-C352 PolarHBondContact NE1-O 2.82Å; W16-C352 VanDerWaalsContact NE1-O 3.13Å; P27-C352 HydrophobicContact CG-CB 3.53Å; M348-C352 WeakPolarHBondContact CA-O 3.47Å; L349-C352 PolarHBondContact N-O 3.09Å; L349-C352 WeakPolarHBondContact O-CB 3.35Å; L349-C352 PolarHBondContact O-N 3.05Å; G350-C352 PolarHBondContact O-N 3.18Å; C352-N365 CarbonylContact C-O 3.36Å; C352-N365 VanDerWaalsContact CA-O 3.28Å; C352-N365 WeakPolarHBondContact CA-O 3.35Å
353L94.8Very high95.5Very high0 Ų016.4 Ų16.40%09%0.094CC..EExtended strand (participates in β ladder)trans-106.7134.7171.4171.660.7000109.2M1 L278 M335 L346 D347 M348 V364 N365 V368M1-L353 HydrophobicContact CE-CD2 3.45Å; M1-L353 VanDerWaalsContact CE-CD2 3.45Å; M1-L353 HydrophobicContact CE-CG 4.12Å; L278-L353 HydrophobicContact CD1-CD1 4.19Å; L278-L353 HydrophobicContact CD1-CD2 4.21Å; L278-L353 HydrophobicContact CD2-CD2 4.01Å; M335-L353 HydrophobicContact CE-CD2 4.17Å; L346-L353 HydrophobicContact CB-CD1 4.19Å; L346-L353 HydrophobicContact CD1-CD1 4.39Å; D347-L353 WeakPolarHBondContact O-CA 3.39Å; M348-L353 HydrophobicContact CG-CD1 3.91Å; M348-L353 HydrophobicContact SD-CB 3.52Å; M348-L353 VanDerWaalsContact SD-CB 3.52Å; M348-L353 HydrophobicContact SD-CD1 3.44Å; M348-L353 WeakPolarHBondContact SD-CD1 3.42Å; M348-L353 HydrophobicContact SD-CD2 4.26Å; M348-L353 HydrophobicContact SD-CG 3.89Å; L353-V364 CarbonylContact O-C 3.47Å; L353-V364 WeakPolarHBondContact O-CA 3.29Å; L353-N365 HydrophobicContact CB-CB 4.36Å; L353-N365 PolarHBondContact N-O 3.08Å; L353-N365 PolarHBondContact O-N 3.32Å; L353-V368 HydrophobicContact CB-CG2 3.65Å; L353-V368 HydrophobicContact CD2-CG2 4.4Å
354V96.2Very high95.3Very high0 Ų017.4 Ų17.40%010%0.1CC..EExtended strand (participates in β ladder)trans-123142.8163.563.20000108.5T14 W16 F30 L346 D347 I362 F363 V364T14-V354 HydrophobicContact CG2-CG2 4.33Å; W16-V354 HydrophobicContact CD2-CG1 4.3Å; W16-V354 HydrophobicContact CG-CG1 4.38Å; W16-V354 HydrophobicContact CZ2-CB 3.79Å; W16-V354 HydrophobicContact CZ2-CG1 4.17Å; F30-V354 HydrophobicContact CD2-CG2 3.83Å; F30-V354 HydrophobicContact CE2-CG2 3.77Å; F30-V354 HydrophobicContact CG-CG2 4.45Å; F30-V354 HydrophobicContact CZ-CG2 4.41Å; L346-V354 CarbonylContact C-O 3.56Å; L346-V354 VanDerWaalsContact CA-O 3.26Å; L346-V354 WeakPolarHBondContact CA-O 2.99Å; D347-V354 HydrophobicContact CB-CG1 4.03Å; D347-V354 PolarHBondContact N-O 3.44Å; D347-V354 PolarHBondContact O-N 2.88Å; V354-I362 HydrophobicContact CG2-CG2 3.79Å; V354-F363 CarbonylContact C-O 3.51Å; V354-F363 WeakPolarHBondContact CA-O 3.22Å; V354-V364 HydrophobicContact CG2-CG2 4.16Å
355C97.1Very high94.9Very high0 Ų018.5 Ų18.50%011%0.106CC..EExtended strand (participates in β ladder)trans-143.5154.7166.267.40000111.5L278 V343 S345 L346 I362 F363L278-C355 HydrophobicContact CD1-CB 3.61Å; V343-C355 HydrophobicContact CG1-CB 4.07Å; S345-C355 CarbonylContact O-C 3.58Å; S345-C355 WeakPolarHBondContact O-CA 3.41Å; S345-C355 WeakPolarHBondContact O-CB 3.42Å; L346-C355 HydrophobicContact CB-CB 4Å; C355-I362 WeakPolarHBondContact O-CA 3.31Å; C355-F363 PolarHBondContact N-O 2.84Å; C355-F363 PolarHBondContact O-N 3.11Å
356G97.3Very high94.4Very high0 Ų022.1 Ų22.10%012%0.119CC..EExtended strand (participates in β ladder)trans-121.3148.2178.100000112.1N344 S345N344-G356 PolarHBondContact N-O 2.88Å; N344-G356 VanDerWaalsContact N-O 3.09Å; S345-G356 PolarHBondContact O-N 2.92Å
357T97.6Very high93.9Very high2 Ų229.7 Ų29.71%0.01216%0.155CC..EExtended strand (participates in β ladder)trans-131.2167.1-17575.20000113.3I11 S342 V343 G359 E360 A361 F363I11-T357 PolarHBondContact N-O 2.87Å; S342-T357 CarbonylContact O-C 3.57Å; S342-T357 WeakPolarHBondContact O-CA 3.44Å; S342-T357 WeakPolarHBondContact O-CB 3.43Å; V343-T357 HydrophobicContact CB-CG2 4.41Å; V343-T357 HydrophobicContact CG1-CG2 4.4Å; V343-T357 HydrophobicContact CG2-CG2 3.95Å; T357-G359 PolarHBondContact O-N 2.97Å; T357-G359 PolarHBondContact OG1-N 3.48Å; T357-G359 VanDerWaalsContact OG1-N 3.14Å; T357-E360 PolarHBondContact O-N 2.9Å; T357-A361 PolarHBondContact N-O 3.25Å; T357-A361 VanDerWaalsContact N-O 3.09Å; T357-A361 PolarHBondContact OG1-O 2.93Å; T357-F363 HydrophobicContact CG2-CD2 4.02Å; T357-F363 HydrophobicContact CG2-CE2 3.72Å
358D97.2Very high93.5Very high26 Ų2628.5 Ų28.514%0.13915%0.148CC..THydrogen-bonded Turntrans-70.2-11.7168.3-91.910.6000113.8W35 L341 S342 N344 E360W35-D358 VanDerWaalsContact CZ2-OD1 3.28Å; W35-D358 WeakPolarHBondContact CZ2-OD1 3.43Å; W35-D358 PolarHBondContact NE1-OD1 3.4Å; L341-D358 HydrophobicContact CB-CB 4.01Å; L341-D358 HydrophobicContact CD1-CB 4.47Å; S342-D358 PolarHBondContact O-N 2.65Å; N344-D358 PolarHBondContact ND2-N 2.79Å; N344-D358 PolarHBondContact ND2-OD1 2.82Å; D358-E360 PolarHBondContact O-N 3.39Å; D358-E360 VanDerWaalsContact O-N 3.13Å
359G95.9Very high93.1Very high22 Ų2232.9 Ų32.923%0.22718%0.177CC..THydrogen-bonded Turntrans-76.417.5170.400000113.7Y6 T357 A361Y6-G359 WeakPolarHBondContact CD1-O 2.9Å; Y6-G359 WeakPolarHBondContact CE1-O 3.06Å; T357-G359 PolarHBondContact O-N 2.97Å; T357-G359 PolarHBondContact OG1-N 3.48Å; T357-G359 VanDerWaalsContact OG1-N 3.14Å; G359-A361 PolarHBondContact O-N 3.15Å; G359-A361 VanDerWaalsContact O-N 3.14Å
360E96.3Very high92.6Very high76 Ų7633.3 Ų33.336%0.35518%0.181SC..SBendtrans54.230.7-175.9-52.5177.5168.300112.8Y6 V7 S8 Q9 K10 T357 D358Y6-E360 CarbonylContact C-O 3.55Å; Y6-E360 VanDerWaalsContact CA-O 3.29Å; Y6-E360 WeakPolarHBondContact CA-O 3.21Å; V7-E360 PolarHBondContact N-O 3.47Å; S8-E360 WeakPolarHBondContact CA-OE2 3.21Å; Q9-E360 WeakPolarHBondContact O-CA 3.24Å; K10-E360 HydrophobicContact CG-CG 4.32Å; T357-E360 PolarHBondContact O-N 2.9Å; D358-E360 PolarHBondContact O-N 3.39Å; D358-E360 VanDerWaalsContact O-N 3.13Å
361A94.7Very high92.8Very high2 Ų233.5 Ų33.52%0.01718%0.175CC..EExtended strand (participates in β ladder)trans-123138.2-168.500000112.3A4 K5 Y6 T357 G359 F363A4-A361 HydrophobicContact CB-CB 4.41Å; K5-A361 CarbonylContact O-C 3.52Å; K5-A361 WeakPolarHBondContact O-CA 3.32Å; Y6-A361 HydrophobicContact CD1-CB 3.99Å; Y6-A361 HydrophobicContact CE1-CB 3.92Å; T357-A361 PolarHBondContact N-O 3.25Å; T357-A361 VanDerWaalsContact N-O 3.09Å; T357-A361 PolarHBondContact OG1-O 2.93Å; G359-A361 PolarHBondContact O-N 3.15Å; G359-A361 VanDerWaalsContact O-N 3.14Å; A361-F363 HydrophobicContact CB-CE2 3.88Å; A361-F363 HydrophobicContact CB-CZ 4.37Å
362I94.9Very high92.8Very high1 Ų130.5 Ų30.51%0.00516%0.162CC..EExtended strand (participates in β ladder)trans-101.2133.8168.2-52.5163.5000108.1A4 K5 V7 I11 F30 I32 W45 V354 C355 V364A4-I362 WeakPolarHBondContact CA-O 3.49Å; K5-I362 HydrophobicContact CB-CB 4.42Å; K5-I362 PolarHBondContact N-O 3.11Å; K5-I362 PolarHBondContact O-N 2.77Å; V7-I362 HydrophobicContact CG1-CD1 3.44Å; V7-I362 VanDerWaalsContact CG1-CD1 3.44Å; V7-I362 HydrophobicContact CG1-CG1 4.08Å; V7-I362 HydrophobicContact CG2-CD1 4.37Å; V7-I362 HydrophobicContact CG2-CG1 4.38Å; I11-I362 HydrophobicContact CD1-CB 4.38Å; I11-I362 HydrophobicContact CD1-CD1 4.31Å; I11-I362 HydrophobicContact CD1-CG1 3.3Å; F30-I362 HydrophobicContact CE2-CD1 4.31Å; F30-I362 HydrophobicContact CE2-CG2 4.01Å; F30-I362 HydrophobicContact CZ-CD1 4.36Å; F30-I362 HydrophobicContact CZ-CG2 4.12Å; I32-I362 HydrophobicContact CD1-CD1 3.21Å; I32-I362 HydrophobicContact CD1-CG1 3.79Å; W45-I362 HydrophobicContact CD2-CD1 4.38Å; W45-I362 HydrophobicContact CE3-CD1 4.5Å; V354-I362 HydrophobicContact CG2-CG2 3.79Å; C355-I362 WeakPolarHBondContact O-CA 3.31Å; I362-V364 HydrophobicContact CG2-CG2 3.91Å
363F94.2Very high92.9Very high18 Ų1832.2 Ų32.28%0.07917%0.171CC..EExtended strand (participates in β ladder)trans-114.9136.8167.6-59.9-100.8000109.5M1 A4 L336 T340 V354 C355 T357 A361M1-F363 HydrophobicContact CE-CB 4.41Å; M1-F363 HydrophobicContact SD-CB 3.8Å; M1-F363 HydrophobicContact SD-CD1 4.27Å; M1-F363 HydrophobicContact SD-CG 4.39Å; A4-F363 HydrophobicContact CB-CD1 3.92Å; A4-F363 HydrophobicContact CB-CE1 3.46Å; A4-F363 VanDerWaalsContact CB-CE1 3.46Å; A4-F363 HydrophobicContact CB-CE2 4.4Å; A4-F363 HydrophobicContact CB-CZ 3.73Å; L336-F363 HydrophobicContact CD2-CB 3.82Å; L336-F363 HydrophobicContact CD2-CD1 3.55Å; L336-F363 HydrophobicContact CD2-CD2 3.81Å; L336-F363 HydrophobicContact CD2-CE1 3.98Å; L336-F363 HydrophobicContact CD2-CE2 4.25Å; L336-F363 HydrophobicContact CD2-CG 3.44Å; L336-F363 VanDerWaalsContact CD2-CG 3.44Å; L336-F363 HydrophobicContact CD2-CZ 4.32Å; T340-F363 HydrophobicContact CG2-CZ 4.06Å; V354-F363 CarbonylContact C-O 3.51Å; V354-F363 WeakPolarHBondContact CA-O 3.22Å; C355-F363 PolarHBondContact N-O 2.84Å; C355-F363 PolarHBondContact O-N 3.11Å; T357-F363 HydrophobicContact CG2-CD2 4.02Å; T357-F363 HydrophobicContact CG2-CE2 3.72Å; A361-F363 HydrophobicContact CB-CE2 3.88Å; A361-F363 HydrophobicContact CB-CZ 4.37Å
364V93Very high92.8Very high21 Ų2134.1 Ų34.113%0.12718%0.181CC..EExtended strand (participates in β ladder)trans-129.4133.2178.7-178.60000108.6W16 I47 P63 L353 V354 I362 R366W16-V364 HydrophobicContact CH2-CG1 4.28Å; W16-V364 HydrophobicContact CZ2-CG1 4.29Å; I47-V364 HydrophobicContact CD1-CB 3.88Å; I47-V364 HydrophobicContact CD1-CG1 3.28Å; I47-V364 HydrophobicContact CD1-CG2 3.48Å; I47-V364 VanDerWaalsContact CD1-CG2 3.48Å; P63-V364 HydrophobicContact CG-CG2 3.9Å; L353-V364 CarbonylContact O-C 3.47Å; L353-V364 WeakPolarHBondContact O-CA 3.29Å; V354-V364 HydrophobicContact CG2-CG2 4.16Å; I362-V364 HydrophobicContact CG2-CG2 3.91Å; V364-R366 HydrophobicContact CG1-CG 4.08Å
365N90.6Very high92.6Very high33 Ų3336.3 Ų36.318%0.17619%0.192CC..EExtended strand (participates in β ladder)trans-128.8121.8168.8-172.2-7.3000109.4M1 C352 L353 Q367 V368M1-N365 HydrophobicContact CE-CB 3.97Å; M1-N365 HydrophobicContact CG-CB 3.83Å; C352-N365 CarbonylContact C-O 3.36Å; C352-N365 VanDerWaalsContact CA-O 3.28Å; C352-N365 WeakPolarHBondContact CA-O 3.35Å; L353-N365 HydrophobicContact CB-CB 4.36Å; L353-N365 PolarHBondContact N-O 3.08Å; L353-N365 PolarHBondContact O-N 3.32Å; N365-Q367 PolarHBondContact OD1-N 3.39Å; N365-V368 HydrophobicContact CB-CG2 4.02Å
366R88.1Confident92.3Very high76 Ų7638.7 Ų38.729%0.28721%0.205SC..SBendtrans-98.72.2-178.4-60.6-174.967.8-1738114.4Q351 V364Q351-R366 CarbonylContact O-C 3.6Å; V364-R366 HydrophobicContact CG1-CG 4.08Å
367Q87.8Confident91.9Very high160 Ų16041.4 Ų41.475%0.74822%0.22SC*.  trans-134.245.8-174.7-61.9-177.9-200110.3Q351 N365Q351-Q367 PolarHBondContact O-N 2.94Å; N365-Q367 PolarHBondContact OD1-N 3.39Å
368V89.1Confident91.5Very high1 Ų144.5 Ų44.51%0.00624%0.236CC..  trans-67.9131.2172.2-173.30000108.8F270 M335 M348 Q351 L353 N365 V370F270-V368 HydrophobicContact CE1-CG1 4.01Å; F270-V368 HydrophobicContact CZ-CG1 3.99Å; M335-V368 HydrophobicContact CE-CG1 3.9Å; M335-V368 HydrophobicContact CE-CG2 4.17Å; M348-V368 HydrophobicContact CE-CG1 4.22Å; Q351-V368 PolarHBondContact O-N 3.14Å; L353-V368 HydrophobicContact CB-CG2 3.65Å; L353-V368 HydrophobicContact CD2-CG2 4.4Å; N365-V368 HydrophobicContact CB-CG2 4.02Å; V368-V370 HydrophobicContact CG1-CG1 3.97Å; V368-V370 PolarHBondContact O-N 3.28Å; V368-V370 VanDerWaalsContact O-N 3.13Å
369P84.6Confident91Very high94 Ų9446 Ų4661%0.6124%0.244SC*.  trans-74.4101.1176.130.3-32.8000109.6H280H280-P369 PolarHBondContact CE1-O 2.7Å; H280-P369 VanDerWaalsContact CE1-O 3.31Å
370V82.8Confident90.5Very high48 Ų4848.2 Ų48.229%0.29125%0.246SC..  trans-139.60178.1-68.60000111.7N265 H268 F270 M348 Q351 V368N265-V370 PolarHBondContact ND2-OXT 2.64Å; H268-V370 HydrophobicContact CB-CG1 4.16Å; H268-V370 PolarHBondContact NE2-OXT 3.23Å; F270-V370 HydrophobicContact CE2-CG1 4.31Å; F270-V370 HydrophobicContact CZ-CG1 3.89Å; M348-V370 HydrophobicContact CE-CG1 4.22Å; Q351-V370 HydrophobicContact CG-CG2 4.02Å; V368-V370 HydrophobicContact CG1-CG1 3.97Å; V368-V370 PolarHBondContact O-N 3.28Å; V368-V370 VanDerWaalsContact O-N 3.13Å

Retrieved 370 of 370 residues in 2594.7 ms (Link to these results)

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