A0A087XCZ8_POEFO Loading...

WD repeat domain 54

AlphaFold DB , UniProt , Accession A0A087XCZ8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 336 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
1M83.1Confident92.6Very high163 Ų16377.4 Ų77.480%0.80336%0.356SS*.  0142.70-176.5179.4-79.600106.1S336M1-S336 PolarHBondContact O-N 3.23Å; M1-S336 PolarHBondContact O-OG 2.51Å
2F94Very high92.8Very high15 Ų1575.8 Ų75.87%0.06635%0.353CS..EExtended strand (participates in β ladder)trans-87148.5178.1-66.2-96.3000110.6V280 H298 G317 F320 V334 Q335F2-V280 HydrophobicContact CD2-CG2 4.38Å; F2-V280 HydrophobicContact CE2-CG1 4.32Å; F2-V280 HydrophobicContact CE2-CG2 4Å; F2-H298 AromaticContact CD2-CD2 3.52Å; F2-H298 AromaticContact CD2-NE2 3.89Å; F2-G317 WeakPolarHBondContact CE1-O 3.35Å; F2-G317 WeakPolarHBondContact CZ-O 3.39Å; F2-F320 HydrophobicContact CB-CE1 3.96Å; F2-F320 AromaticContact CD1-CD1 3.65Å; F2-F320 HydrophobicContact CD1-CD1 3.65Å; F2-F320 AromaticContact CD1-CE1 3.47Å; F2-F320 HydrophobicContact CD1-CE1 3.47Å; F2-F320 VanDerWaalsContact CD1-CE1 3.47Å; F2-F320 AromaticContact CD2-CE1 3.95Å; F2-F320 HydrophobicContact CD2-CE1 3.95Å; F2-F320 AromaticContact CE1-CD1 3.65Å; F2-F320 HydrophobicContact CE1-CD1 3.65Å; F2-F320 AromaticContact CE1-CE1 3.87Å; F2-F320 HydrophobicContact CE1-CE1 3.87Å; F2-F320 HydrophobicContact CE2-CE1 4.31Å; F2-F320 HydrophobicContact CG-CD1 4.17Å; F2-F320 AromaticContact CG-CE1 3.52Å; F2-F320 HydrophobicContact CG-CE1 3.52Å; F2-F320 HydrophobicContact CG-CZ 4.49Å; F2-F320 HydrophobicContact CZ-CD1 4.17Å; F2-F320 HydrophobicContact CZ-CE1 4.27Å; F2-V334 CarbonylContact C-O 3.59Å; F2-V334 VanDerWaalsContact CA-O 3.32Å; F2-V334 WeakPolarHBondContact CA-O 3.11Å; F2-Q335 HydrophobicContact CD1-CB 4.06Å; F2-Q335 HydrophobicContact CE1-CB 3.84Å; F2-Q335 HydrophobicContact CZ-CB 4.24Å
3H93.3Very high93Very high86 Ų8671.4 Ų71.440%0.39834%0.335SS..EExtended strand (participates in β ladder)trans-134.6145.1173.952.755.8000110.9E5 Y333 V334H3-E5 PolarHBondContact O-N 3.49Å; H3-Y333 WeakPolarHBondContact O-CA 3.37Å; H3-V334 PolarHBondContact CE1-O 3.09Å; H3-V334 PolarHBondContact N-O 2.61Å; H3-V334 PolarHBondContact ND1-O 2.99Å; H3-V334 PolarHBondContact O-N 3.3Å
4K93.9Very high93.3Very high117 Ų11766.3 Ų66.351%0.50931%0.311SS..EExtended strand (participates in β ladder)trans-66125.5179.1179.1169.1173.4164.70110.9S7 I331 R332 Y333K4-S7 WeakPolarHBondContact CE-OG 3.29Å; K4-I331 HydrophobicContact CD-CG2 3.81Å; K4-I331 HydrophobicContact CG-CG2 3.95Å; K4-R332 WeakPolarHBondContact CA-O 3.22Å; K4-Y333 HydrophobicContact CB-CD1 4.18Å; K4-Y333 HydrophobicContact CB-CE1 3.91Å
5E91.4Very high93.6Very high72 Ų7263.3 Ų63.334%0.33630%0.301SS..  trans-94176.9168-76.9-164.5159.400111.6H3 S7 R332 V334H3-E5 PolarHBondContact O-N 3.49Å; E5-S7 PolarHBondContact O-N 2.85Å; E5-R332 HydrophobicContact CB-CB 4.37Å; E5-R332 PolarHBondContact N-O 3.25Å; E5-V334 HydrophobicContact CG-CB 4.15Å; E5-V334 HydrophobicContact CG-CG2 3.71Å; E5-V334 WeakPolarHBondContact OE1-CG2 3.27Å; E5-V334 VanDerWaalsContact OE2-CG2 3.3Å; E5-V334 WeakPolarHBondContact OE2-CG2 3.21Å
6K90.3Very high93.8Very high167 Ų16762 Ų6273%0.72630%0.304SS*.PPolyproline II helixtrans-56.3123.5173.2-171.8178.1-179.2-177.30109.9
7S93.3Very high94Very high13 Ų1360.3 Ų60.39%0.09130%0.296CS..PPolyproline II helixtrans-73.1148.4-179.9-54.40000111.2K4 E5 E329 I330K4-S7 WeakPolarHBondContact CE-OG 3.29Å; E5-S7 PolarHBondContact O-N 2.85Å; S7-E329 WeakPolarHBondContact CB-OE2 3.47Å; S7-I330 CarbonylContact C-O 3.56Å; S7-I330 WeakPolarHBondContact CA-O 3.29Å; S7-I330 WeakPolarHBondContact CB-O 3.07Å
8I94.7Very high94.1Very high4 Ų459.2 Ų59.22%0.02129%0.288CS..EExtended strand (participates in β ladder)trans-93120.4179.2-59.5162000107.6F34 V45 T47 Y54 E329 I330 R332I8-F34 HydrophobicContact CD1-CD2 4.05Å; I8-F34 HydrophobicContact CD1-CE2 3.71Å; I8-F34 HydrophobicContact CD1-CZ 4.14Å; I8-V45 HydrophobicContact CG2-CB 4.25Å; I8-V45 HydrophobicContact CG2-CG1 3.59Å; I8-V45 HydrophobicContact CG2-CG2 4.41Å; I8-T47 HydrophobicContact CD1-CG2 3.55Å; I8-T47 HydrophobicContact CG1-CG2 4.1Å; I8-T47 HydrophobicContact CG2-CG2 4.22Å; I8-Y54 HydrophobicContact CG2-CD1 4.44Å; I8-Y54 HydrophobicContact CG2-CD2 4.37Å; I8-Y54 HydrophobicContact CG2-CG 4.28Å; I8-E329 CarbonylContact O-C 3.53Å; I8-E329 VanDerWaalsContact O-CA 3.23Å; I8-E329 WeakPolarHBondContact O-CA 3.35Å; I8-E329 WeakPolarHBondContact O-CB 3.43Å; I8-I330 HydrophobicContact CB-CB 4.27Å; I8-I330 PolarHBondContact N-O 3.28Å; I8-I330 PolarHBondContact O-N 3.14Å; I8-R332 VanDerWaalsContact CD1-CD 3.47Å; I8-R332 HydrophobicContact CD1-CG 4.17Å
9Q95.3Very high94.3Very high78 Ų7856.4 Ų56.436%0.36428%0.275SS..EExtended strand (participates in β ladder)trans-71.5147.7-179.2-62.6-58.2-56.800111.2H56 E329Q9-H56 PolarHBondContact O-CE1 2.99Å; Q9-E329 PolarHBondContact NE2-OE2 3.33Å
10L95.1Very high94.5Very high15 Ų1553.8 Ų53.88%0.07926%0.262CS..  trans-110.8155.4172.4-62173.6000109.5N12 V36 N43 V45 S328 I330L10-N12 WeakPolarHBondContact CB-O 3.33Å; L10-V36 HydrophobicContact CD1-CB 4.11Å; L10-V36 HydrophobicContact CD1-CG1 4.09Å; L10-V36 HydrophobicContact CD1-CG2 4.12Å; L10-N43 HydrophobicContact CD2-CB 4.17Å; L10-V45 HydrophobicContact CD2-CG2 3.67Å; L10-S328 WeakPolarHBondContact CB-O 3.45Å; L10-S328 PolarHBondContact N-O 3.01Å; L10-I330 HydrophobicContact CD1-CG1 4.07Å; L10-I330 HydrophobicContact CD2-CD1 3.91Å; L10-I330 HydrophobicContact CD2-CG1 3.97Å; L10-I330 HydrophobicContact CG-CG1 4.15Å
11K94.1Very high94.7Very high121 Ų12151.3 Ų51.353%0.52625%0.25SS..SBendtrans-75.6-28.1174.4-78.5-174.4169.6-179.60113H56 Q58K11-H56 HydrophobicContact CD-CB 4.05Å; K11-H56 HydrophobicContact CG-CB 4.28Å; K11-Q58 VanDerWaalsContact CB-NE2 3.28Å; K11-Q58 HydrophobicContact CD-CG 4.06Å
12N95Very high95.4Very high59 Ų5944.1 Ų44.132%0.31622%0.216SC..SBendtrans-134165.4173.9-67.7101000109.3L10 H38 N43 Q58L10-N12 WeakPolarHBondContact CB-O 3.33Å; N12-H38 HydrophobicContact CB-CB 3.98Å; N12-N43 PolarHBondContact N-OD1 3.23Å; N12-Q58 PolarHBondContact OD1-NE2 3.02Å
13S96.2Very high95.6Very high18 Ų1844.9 Ų44.913%0.12622%0.222CC..  trans-73177.8176.263.30000112.9H38 D326 L327S13-H38 WeakPolarHBondContact O-CB 3.33Å; S13-H38 PolarHBondContact O-ND1 3.5Å; S13-H38 PolarHBondContact OG-CE1 3.35Å; S13-H38 PolarHBondContact OG-ND1 3.41Å; S13-H38 VanDerWaalsContact OG-ND1 3.1Å; S13-D326 VanDerWaalsContact CB-CA 3.49Å; S13-D326 WeakPolarHBondContact CB-O 3.46Å; S13-D326 PolarHBondContact OG-OD1 2.95Å; S13-L327 CarbonylContact C-O 3.58Å; S13-L327 VanDerWaalsContact CA-O 3.25Å; S13-L327 WeakPolarHBondContact CA-O 3.49Å
14A97.3Very high95.7Very high0 Ų041.4 Ų41.40%021%0.206CC..BIsolated β-bridgetrans-92146.817100000112.4V36 T323 G324 Y325 D326 L327A14-V36 HydrophobicContact CB-CG1 3.39Å; A14-T323 HydrophobicContact CB-CG2 4.14Å; A14-G324 VanDerWaalsContact CB-O 3.27Å; A14-G324 WeakPolarHBondContact CB-O 3.49Å; A14-Y325 WeakPolarHBondContact O-CD2 3.44Å; A14-D326 PolarHBondContact O-N 2.82Å; A14-L327 PolarHBondContact N-O 2.89Å; A14-L327 VanDerWaalsContact N-O 3.15Å
15S97.7Very high95.7Very high22 Ų2241.1 Ų41.115%0.15420%0.202CC..  trans-79.7154.7166.2-68.30000112L17 N20 V37 H38 A39 C308S15-L17 PolarHBondContact O-N 3.38Å; S15-N20 PolarHBondContact N-ND2 2.58Å; S15-N20 PolarHBondContact O-ND2 3.28Å; S15-V37 PolarHBondContact N-O 3.26Å; S15-H38 WeakPolarHBondContact OG-CA 3.4Å; S15-A39 PolarHBondContact OG-N 2.79Å; S15-C308 PolarHBondContact O-SG 3.3Å; S15-C308 VanDerWaalsContact O-SG 3.34Å
16A96.5Very high95.6Very high42 Ų4238.8 Ų38.835%0.34719%0.191SC..SBendtrans-77.267.517500000111.6Y325A16-Y325 HydrophobicContact CB-CD1 4.48Å; A16-Y325 HydrophobicContact CB-CD2 3.75Å; A16-Y325 HydrophobicContact CB-CE2 4.31Å; A16-Y325 HydrophobicContact CB-CG 3.86Å
17L96.8Very high95.4Very high33 Ų3333.6 Ų33.617%0.17318%0.18CC..  trans-111.3152.3177.9-64165.3000109.8S15 N20 V37 I73 M74S15-L17 PolarHBondContact O-N 3.38Å; L17-N20 HydrophobicContact CB-CB 4.07Å; L17-N20 WeakPolarHBondContact O-CB 3.48Å; L17-V37 HydrophobicContact CD1-CB 3.97Å; L17-V37 HydrophobicContact CD1-CG1 3.68Å; L17-I73 WeakPolarHBondContact CD1-O 3.3Å; L17-M74 HydrophobicContact CD2-CE 4.24Å
18Y95.3Very high95Very high40 Ų4039 Ų3916%0.15722%0.215CC..THydrogen-bonded Turntrans-65.3143.4172-54.3-39.5000110.5N20 R125 W256 Y258Y18-N20 PolarHBondContact O-N 3.37Å; Y18-N20 VanDerWaalsContact O-N 3.13Å; Y18-R125 VanDerWaalsContact CE2-NH1 3.35Å; Y18-W256 AromaticContact CE1-NE1 3.85Å; Y18-W256 WeakPolarHBondContact OH-CZ2 3.32Å; Y18-Y258 AromaticContact CD1-CD1 3.6Å; Y18-Y258 HydrophobicContact CD1-CD1 3.6Å; Y18-Y258 AromaticContact CD1-CE1 3.71Å; Y18-Y258 HydrophobicContact CD1-CE1 3.71Å; Y18-Y258 HydrophobicContact CD1-CG 4.18Å; Y18-Y258 HydrophobicContact CE1-CD1 4.12Å; Y18-Y258 AromaticContact CE1-CE1 3.83Å; Y18-Y258 HydrophobicContact CE1-CE1 3.83Å
19N98Very high94.5Very high6 Ų647 Ų473%0.03225%0.245CC..THydrogen-bonded Turntrans50.638.4177.1-59.9-61.2000113.4L21 D171 S218 S219 Y258 S259 C308N19-L21 PolarHBondContact O-N 2.63Å; N19-D171 VanDerWaalsContact ND2-CG 3.29Å; N19-D171 PolarHBondContact ND2-OD2 2.71Å; N19-S218 PolarHBondContact ND2-O 3.2Å; N19-S219 PolarHBondContact ND2-OG 3.34Å; N19-S219 PolarHBondContact OD1-OG 3.42Å; N19-Y258 PolarHBondContact N-O 3.15Å; N19-S259 WeakPolarHBondContact OD1-CA 3.18Å; N19-S259 PolarHBondContact OD1-OG 2.86Å; N19-C308 PolarHBondContact N-O 2.91Å
20N98.1Very high94.2Very high5 Ų551.7 Ų51.73%0.02726%0.259CS..  trans-79.847.8-175.9-165.715.1000113.2S15 L17 Y18 V37 C308 T323S15-N20 PolarHBondContact N-ND2 2.58Å; S15-N20 PolarHBondContact O-ND2 3.28Å; L17-N20 HydrophobicContact CB-CB 4.07Å; L17-N20 WeakPolarHBondContact O-CB 3.48Å; Y18-N20 PolarHBondContact O-N 3.37Å; Y18-N20 VanDerWaalsContact O-N 3.13Å; N20-V37 PolarHBondContact ND2-O 2.86Å; N20-V37 WeakPolarHBondContact OD1-CA 3.45Å; N20-V37 VanDerWaalsContact OD1-CB 3.24Å; N20-V37 WeakPolarHBondContact OD1-CB 3.47Å; N20-V37 PolarHBondContact OD1-N 3.46Å; N20-C308 HydrophobicContact CB-CB 4.2Å; N20-C308 PolarHBondContact N-O 2.82Å; N20-T323 VanDerWaalsContact O-CG2 3.24Å; N20-T323 WeakPolarHBondContact O-CG2 3.49Å
21L98.6Very high94.1Very high1 Ų153 Ų531%0.00527%0.266CS..  trans-157.8123.2170.7-178.561.5000107.5N19 V23 F34 T35 V36 K311 A321 T323 I330N19-L21 PolarHBondContact O-N 2.63Å; L21-V23 HydrophobicContact CG-CG2 4.49Å; L21-F34 HydrophobicContact CD1-CD1 4.28Å; L21-T35 WeakPolarHBondContact CA-O 3.46Å; L21-V36 HydrophobicContact CD1-CG2 3.73Å; L21-K311 HydrophobicContact CB-CG 4.32Å; L21-K311 HydrophobicContact CD2-CB 4.23Å; L21-K311 HydrophobicContact CD2-CG 4.43Å; L21-K311 HydrophobicContact CG-CB 4.36Å; L21-K311 HydrophobicContact CG-CG 4.15Å; L21-K311 WeakPolarHBondContact O-CE 3.12Å; L21-K311 WeakPolarHBondContact O-CG 3.47Å; L21-A321 HydrophobicContact CD2-CB 3.92Å; L21-A321 VanDerWaalsContact CD2-O 3.26Å; L21-A321 WeakPolarHBondContact CD2-O 3.3Å; L21-T323 HydrophobicContact CB-CG2 4.25Å; L21-I330 HydrophobicContact CD1-CD1 4.09Å; L21-I330 HydrophobicContact CD1-CG1 4.49Å; L21-I330 HydrophobicContact CD1-CG2 4.49Å
22S98.3Very high94.1Very high13 Ų1347.5 Ų47.59%0.09124%0.243CC..EExtended strand (participates in β ladder)trans-121.8144.6169.7-165.10000110.2F34 T35 A76 F78S22-F34 CarbonylContact O-C 3.57Å; S22-F34 VanDerWaalsContact O-CA 3.32Å; S22-F34 WeakPolarHBondContact O-CA 3.2Å; S22-T35 VanDerWaalsContact CB-OG1 3.3Å; S22-T35 WeakPolarHBondContact CB-OG1 3.3Å; S22-T35 PolarHBondContact N-O 2.74Å; S22-T35 VanDerWaalsContact N-O 3.1Å; S22-T35 PolarHBondContact O-N 2.85Å; S22-A76 WeakPolarHBondContact CB-O 3.23Å; S22-F78 PolarHBondContact OG-N 2.73Å
23V97.5Very high94.2Very high30 Ų3046 Ų4618%0.18223%0.232CC..EExtended strand (participates in β ladder)trans-126.6135.7-177.7-173.40000109.4L21 T32 Y33 F34 K311L21-V23 HydrophobicContact CG-CG2 4.49Å; V23-T32 HydrophobicContact CG1-CG2 3.46Å; V23-T32 VanDerWaalsContact CG1-CG2 3.46Å; V23-Y33 CarbonylContact C-O 3.53Å; V23-Y33 VanDerWaalsContact CA-O 3.31Å; V23-Y33 WeakPolarHBondContact CA-O 3.4Å; V23-F34 HydrophobicContact CG1-CD1 4.36Å; V23-F34 HydrophobicContact CG1-CE1 4.02Å; V23-F34 HydrophobicContact CG1-CZ 4.49Å; V23-F34 HydrophobicContact CG2-CD1 3.71Å; V23-F34 HydrophobicContact CG2-CE1 3.77Å; V23-K311 HydrophobicContact CB-CB 4.48Å; V23-K311 HydrophobicContact CG2-CB 3.58Å; V23-K311 HydrophobicContact CG2-CG 4.17Å
24L96.3Very high94.3Very high13 Ų1345.1 Ų45.17%0.06823%0.226CC..EExtended strand (participates in β ladder)trans-131.9119.8171.3176.668.9000109.8I26 T32 Y33 F78 A80 D85L24-I26 HydrophobicContact CD2-CD1 4.35Å; L24-I26 HydrophobicContact CD2-CG1 4.38Å; L24-I26 HydrophobicContact CG-CG1 4.3Å; L24-T32 CarbonylContact O-C 3.55Å; L24-T32 WeakPolarHBondContact O-CA 3.31Å; L24-Y33 PolarHBondContact N-O 3.11Å; L24-Y33 PolarHBondContact O-N 3.3Å; L24-F78 HydrophobicContact CB-CB 3.84Å; L24-F78 HydrophobicContact CB-CD1 3.89Å; L24-F78 HydrophobicContact CB-CD2 3.45Å; L24-F78 VanDerWaalsContact CB-CD2 3.45Å; L24-F78 HydrophobicContact CB-CE1 4.29Å; L24-F78 HydrophobicContact CB-CE2 3.9Å; L24-F78 HydrophobicContact CB-CG 3.45Å; L24-F78 VanDerWaalsContact CB-CG 3.45Å; L24-F78 HydrophobicContact CB-CZ 4.3Å; L24-F78 HydrophobicContact CD1-CB 4.45Å; L24-F78 HydrophobicContact CD2-CB 4.42Å; L24-F78 HydrophobicContact CD2-CD1 3.69Å; L24-F78 HydrophobicContact CD2-CE1 4.1Å; L24-F78 HydrophobicContact CD2-CG 4.07Å; L24-F78 HydrophobicContact CG-CB 4.46Å; L24-F78 HydrophobicContact CG-CD1 4.4Å; L24-F78 HydrophobicContact CG-CG 4.29Å; L24-A80 HydrophobicContact CD1-CB 4.21Å; L24-D85 HydrophobicContact CD2-CB 3.93Å
25R93.1Very high94.3Very high111 Ų11145.1 Ų45.142%0.41923%0.227SC..EExtended strand (participates in β ladder)trans-97116.5179-171.2176.7179.7-168.3-1.6110.2W49R25-W49 HydrophobicContact CG-CZ2 3.75Å; R25-W49 VanDerWaalsContact NE-CE2 3.3Å
26I89.4Confident94.3Very high23 Ų2344.1 Ų44.112%0.11822%0.219CC..EExtended strand (participates in β ladder)trans-100.191.9176.1-54-156.4000109.5L24 R29 R30 L31 Y33L24-I26 HydrophobicContact CD2-CD1 4.35Å; L24-I26 HydrophobicContact CD2-CG1 4.38Å; L24-I26 HydrophobicContact CG-CG1 4.3Å; I26-R29 HydrophobicContact CG2-CB 4.05Å; I26-R29 HydrophobicContact CG2-CG 4.07Å; I26-R29 PolarHBondContact O-N 3.45Å; I26-R30 PolarHBondContact O-N 3.23Å; I26-L31 PolarHBondContact N-O 3.49Å; I26-L31 PolarHBondContact O-N 3.21Å; I26-Y33 HydrophobicContact CD1-CD2 3.99Å; I26-Y33 HydrophobicContact CD1-CE2 3.56Å; I26-Y33 HydrophobicContact CG1-CD2 4.09Å; I26-Y33 HydrophobicContact CG1-CE2 4.03Å
27A86.1Confident94.4Very high59 Ų5942.1 Ų42.149%0.48820%0.203SC..G310 helixtrans-56.6-45.5-176.600000115R29 R30 W49A27-R29 PolarHBondContact O-N 3.36Å; A27-R29 VanDerWaalsContact O-N 3.12Å; A27-R30 PolarHBondContact O-N 3.43Å; A27-R30 VanDerWaalsContact O-N 3.13Å; A27-W49 HydrophobicContact CB-CH2 4.12Å; A27-W49 HydrophobicContact CB-CZ2 4.13Å
28P86.3Confident94.4Very high126 Ų12642.8 Ų42.882%0.81821%0.205SC*.G310 helixtrans-60.7-26.7-179.5-25.335.3000114
29R84.4Confident94.4Very high172 Ų17242.4 Ų42.465%0.64921%0.21SC*.G310 helixtrans-103.1-4.7-179-61.4-174.9-176.5-178.53.3113.4I26 A27 L31I26-R29 HydrophobicContact CG2-CB 4.05Å; I26-R29 HydrophobicContact CG2-CG 4.07Å; I26-R29 PolarHBondContact O-N 3.45Å; A27-R29 PolarHBondContact O-N 3.36Å; A27-R29 VanDerWaalsContact O-N 3.12Å; R29-L31 HydrophobicContact CB-CB 4.43Å; R29-L31 HydrophobicContact CB-CD1 4.02Å; R29-L31 HydrophobicContact CB-CG 4.09Å; R29-L31 PolarHBondContact O-N 3.47Å
30R89.1Confident94.2Very high176 Ų17644 Ų4466%0.66422%0.219SC*.THydrogen-bonded Turntrans49.841.1-171.7-58.6-176.7179.6-171.1-1112.9I26 A27 W49I26-R30 PolarHBondContact O-N 3.23Å; A27-R30 PolarHBondContact O-N 3.43Å; A27-R30 VanDerWaalsContact O-N 3.13Å; R30-W49 HydrophobicContact CB-CD2 3.98Å; R30-W49 HydrophobicContact CB-CE3 4.26Å; R30-W49 HydrophobicContact CB-CG 4.2Å; R30-W49 HydrophobicContact CG-CD2 4.38Å; R30-W49 HydrophobicContact CG-CE3 4.18Å; R30-W49 HydrophobicContact CG-CZ3 4.3Å; R30-W49 VanDerWaalsContact O-CD1 3.23Å; R30-W49 PolarHBondContact O-N 2.89Å; R30-W49 VanDerWaalsContact O-N 3.14Å
31L91.9Very high94.1Very high43 Ų4344.3 Ų44.323%0.22522%0.221CC..EExtended strand (participates in β ladder)trans-112.7149.8177.3-68.7174.8000110.2I26 R29 T47 W49I26-L31 PolarHBondContact N-O 3.49Å; I26-L31 PolarHBondContact O-N 3.21Å; R29-L31 HydrophobicContact CB-CB 4.43Å; R29-L31 HydrophobicContact CB-CD1 4.02Å; R29-L31 HydrophobicContact CB-CG 4.09Å; R29-L31 PolarHBondContact O-N 3.47Å; L31-T47 CarbonylContact C-O 3.51Å; L31-T47 VanDerWaalsContact CA-O 3.31Å; L31-T47 WeakPolarHBondContact CA-O 3.26Å; L31-T47 WeakPolarHBondContact CD2-O 3.47Å; L31-W49 PolarHBondContact O-NE1 2.96Å
32T94.5Very high94.1Very high6 Ų644.2 Ų44.24%0.03722%0.22CC..EExtended strand (participates in β ladder)trans-124.5126.3167.7-56.40000107.9V23 L24 F34 S46 T47 W49V23-T32 HydrophobicContact CG1-CG2 3.46Å; V23-T32 VanDerWaalsContact CG1-CG2 3.46Å; L24-T32 CarbonylContact O-C 3.55Å; L24-T32 WeakPolarHBondContact O-CA 3.31Å; T32-F34 HydrophobicContact CG2-CD2 4.28Å; T32-F34 HydrophobicContact CG2-CE1 4.22Å; T32-F34 HydrophobicContact CG2-CE2 3.57Å; T32-F34 HydrophobicContact CG2-CZ 3.53Å; T32-S46 CarbonylContact O-C 3.59Å; T32-T47 PolarHBondContact N-O 2.94Å; T32-T47 PolarHBondContact O-N 2.86Å; T32-W49 PolarHBondContact OG1-NE1 3.43Å
33Y96.6Very high94Very high26 Ų2643.7 Ų43.710%0.10222%0.217CC..EExtended strand (participates in β ladder)trans-95.6140.7171.6-69.3-82000110.1V23 L24 I26 M44 V45 F78V23-Y33 CarbonylContact C-O 3.53Å; V23-Y33 VanDerWaalsContact CA-O 3.31Å; V23-Y33 WeakPolarHBondContact CA-O 3.4Å; L24-Y33 PolarHBondContact N-O 3.11Å; L24-Y33 PolarHBondContact O-N 3.3Å; I26-Y33 HydrophobicContact CD1-CD2 3.99Å; I26-Y33 HydrophobicContact CD1-CE2 3.56Å; I26-Y33 HydrophobicContact CG1-CD2 4.09Å; I26-Y33 HydrophobicContact CG1-CE2 4.03Å; Y33-M44 HydrophobicContact CD1-CE 3.63Å; Y33-M44 HydrophobicContact CE1-CE 4.11Å; Y33-M44 HydrophobicContact CG-CE 4.15Å; Y33-V45 CarbonylContact C-O 3.58Å; Y33-V45 VanDerWaalsContact CA-O 3.32Å; Y33-V45 WeakPolarHBondContact CA-O 3.49Å; Y33-F78 HydrophobicContact CG-CZ 4.39Å
34F97.7Very high94Very high0 Ų042.5 Ų42.50%021%0.209CC..EExtended strand (participates in β ladder)trans-122.3140.9171.9-60.2-91.2000109.1I8 L21 S22 V23 T32 M44 V45 T47 A321 I330I8-F34 HydrophobicContact CD1-CD2 4.05Å; I8-F34 HydrophobicContact CD1-CE2 3.71Å; I8-F34 HydrophobicContact CD1-CZ 4.14Å; L21-F34 HydrophobicContact CD1-CD1 4.28Å; S22-F34 CarbonylContact O-C 3.57Å; S22-F34 VanDerWaalsContact O-CA 3.32Å; S22-F34 WeakPolarHBondContact O-CA 3.2Å; V23-F34 HydrophobicContact CG1-CD1 4.36Å; V23-F34 HydrophobicContact CG1-CE1 4.02Å; V23-F34 HydrophobicContact CG1-CZ 4.49Å; V23-F34 HydrophobicContact CG2-CD1 3.71Å; V23-F34 HydrophobicContact CG2-CE1 3.77Å; T32-F34 HydrophobicContact CG2-CD2 4.28Å; T32-F34 HydrophobicContact CG2-CE1 4.22Å; T32-F34 HydrophobicContact CG2-CE2 3.57Å; T32-F34 HydrophobicContact CG2-CZ 3.53Å; F34-M44 CarbonylContact O-C 3.6Å; F34-M44 VanDerWaalsContact O-CA 3.31Å; F34-M44 WeakPolarHBondContact O-CA 3.43Å; F34-V45 PolarHBondContact N-O 3.42Å; F34-V45 PolarHBondContact O-N 3.13Å; F34-T47 HydrophobicContact CD2-CG2 4.1Å; F34-T47 HydrophobicContact CE2-CG2 3.95Å; F34-A321 HydrophobicContact CD1-CB 4.37Å; F34-A321 HydrophobicContact CE1-CB 3.78Å; F34-I330 HydrophobicContact CB-CD1 3.49Å; F34-I330 VanDerWaalsContact CB-CD1 3.49Å; F34-I330 HydrophobicContact CD1-CD1 4.16Å; F34-I330 HydrophobicContact CD1-CG2 4.48Å; F34-I330 HydrophobicContact CG-CD1 3.9Å
35T98.3Very high94Very high1 Ų141.9 Ų41.91%0.00621%0.206CC..EExtended strand (participates in β ladder)trans-126.413616954.30000111.3L21 S22 V42 N43 M44 A76 F78 L87L21-T35 WeakPolarHBondContact CA-O 3.46Å; S22-T35 VanDerWaalsContact CB-OG1 3.3Å; S22-T35 WeakPolarHBondContact CB-OG1 3.3Å; S22-T35 PolarHBondContact N-O 2.74Å; S22-T35 VanDerWaalsContact N-O 3.1Å; S22-T35 PolarHBondContact O-N 2.85Å; T35-V42 HydrophobicContact CG2-CG1 3.93Å; T35-N43 CarbonylContact C-O 3.54Å; T35-N43 VanDerWaalsContact CA-O 3.29Å; T35-N43 WeakPolarHBondContact CA-O 3.02Å; T35-M44 HydrophobicContact CG2-CB 4.19Å; T35-M44 HydrophobicContact CG2-CG 3.76Å; T35-M44 HydrophobicContact CG2-SD 4.4Å; T35-A76 PolarHBondContact OG1-O 3.21Å; T35-F78 HydrophobicContact CG2-CE1 4.47Å; T35-F78 HydrophobicContact CG2-CE2 3.71Å; T35-F78 HydrophobicContact CG2-CZ 3.57Å; T35-L87 HydrophobicContact CG2-CD1 3.95Å; T35-L87 HydrophobicContact CG2-CD2 4.19Å
36V98.4Very high94.1Very high0 Ų037.5 Ų37.50%019%0.192CC..EExtended strand (participates in β ladder)trans-136.4127.5176.2178.90000108.7L10 A14 L21 N43 T323 I330L10-V36 HydrophobicContact CD1-CB 4.11Å; L10-V36 HydrophobicContact CD1-CG1 4.09Å; L10-V36 HydrophobicContact CD1-CG2 4.12Å; A14-V36 HydrophobicContact CB-CG1 3.39Å; L21-V36 HydrophobicContact CD1-CG2 3.73Å; V36-N43 PolarHBondContact N-O 2.95Å; V36-N43 WeakPolarHBondContact O-CB 3.46Å; V36-N43 PolarHBondContact O-N 2.96Å; V36-N43 PolarHBondContact O-ND2 2.96Å; V36-T323 HydrophobicContact CG1-CG2 4.04Å; V36-T323 HydrophobicContact CG2-CG2 4.02Å; V36-I330 HydrophobicContact CG2-CD1 3.91Å; V36-I330 HydrophobicContact CG2-CG1 4.05Å
37V98.3Very high94.2Very high0 Ų036.4 Ų36.40%019%0.186CC..EExtended strand (participates in β ladder)trans-84.5135.5179.6-179.50000110.8S15 L17 N20 I73 A76S15-V37 PolarHBondContact N-O 3.26Å; L17-V37 HydrophobicContact CD1-CB 3.97Å; L17-V37 HydrophobicContact CD1-CG1 3.68Å; N20-V37 PolarHBondContact ND2-O 2.86Å; N20-V37 WeakPolarHBondContact OD1-CA 3.45Å; N20-V37 VanDerWaalsContact OD1-CB 3.24Å; N20-V37 WeakPolarHBondContact OD1-CB 3.47Å; N20-V37 PolarHBondContact OD1-N 3.46Å; V37-I73 HydrophobicContact CB-CG2 4.31Å; V37-I73 HydrophobicContact CG1-CB 3.61Å; V37-I73 HydrophobicContact CG1-CG2 3.56Å; V37-I73 HydrophobicContact CG2-CG2 3.71Å; V37-A76 HydrophobicContact CG2-CB 3.71Å
38H97.1Very high94.4Very high47 Ų4734.6 Ų34.622%0.21817%0.17CC..EExtended strand (participates in β ladder)trans-132103.8170.8-173.976000109.8N12 S13 S15 N40 V41N12-H38 HydrophobicContact CB-CB 3.98Å; S13-H38 WeakPolarHBondContact O-CB 3.33Å; S13-H38 PolarHBondContact O-ND1 3.5Å; S13-H38 PolarHBondContact OG-CE1 3.35Å; S13-H38 PolarHBondContact OG-ND1 3.41Å; S13-H38 VanDerWaalsContact OG-ND1 3.1Å; S15-H38 WeakPolarHBondContact OG-CA 3.4Å; H38-N40 PolarHBondContact O-N 3.43Å; H38-V41 PolarHBondContact N-O 3.38Å; H38-V41 PolarHBondContact O-N 2.88Å
39A95.1Very high94.2Very high32 Ų3232.6 Ų32.626%0.26415%0.147SC..THydrogen-bonded Turntrans52.2-105.7-178.100000112.1S15 L72 I73S15-A39 PolarHBondContact OG-N 2.79Å; A39-L72 HydrophobicContact CB-CD2 4.16Å; A39-I73 PolarHBondContact O-N 3.21Å
40N93.9Very high93.8Very high39 Ų3929 Ų2921%0.20914%0.14CC..THydrogen-bonded Turntrans-101.312.2179.966.4-37000113.9H38 S61 T70 S71 I73H38-N40 PolarHBondContact O-N 3.43Å; N40-S61 PolarHBondContact O-N 3.06Å; N40-S61 VanDerWaalsContact O-N 3.15Å; N40-T70 WeakPolarHBondContact ND2-CB 3.3Å; N40-T70 VanDerWaalsContact ND2-CG2 3.3Å; N40-T70 WeakPolarHBondContact ND2-CG2 3.42Å; N40-S71 WeakPolarHBondContact CA-O 3.49Å; N40-S71 WeakPolarHBondContact CB-O 3.02Å; N40-I73 VanDerWaalsContact C-CD1 3.5Å; N40-I73 WeakPolarHBondContact O-CD1 3.21Å
41V95.7Very high93Very high12 Ų1221.5 Ų21.57%0.07312%0.118CC..EExtended strand (participates in β ladder)trans-123137.2-176.2-172.50000110.7H38 Q58 L59 Q60H38-V41 PolarHBondContact N-O 3.38Å; H38-V41 PolarHBondContact O-N 2.88Å; V41-Q58 HydrophobicContact CG1-CB 3.93Å; V41-Q58 HydrophobicContact CG1-CG 4.12Å; V41-L59 CarbonylContact C-O 3.58Å; V41-L59 VanDerWaalsContact CA-O 3.31Å; V41-L59 WeakPolarHBondContact CA-O 3.45Å; V41-Q60 HydrophobicContact CG2-CG 4.2Å
42V97.4Very high92.2Very high0 Ų025.5 Ų25.50%014%0.139CC..EExtended strand (participates in β ladder)trans-96.7115.5162.5-170.60000108.3T35 Q58 L59 I73 A76 V89T35-V42 HydrophobicContact CG2-CG1 3.93Å; V42-Q58 WeakPolarHBondContact O-CA 3.25Å; V42-L59 HydrophobicContact CB-CB 4.17Å; V42-L59 HydrophobicContact CG2-CB 4.5Å; V42-L59 PolarHBondContact N-O 3.29Å; V42-L59 PolarHBondContact O-N 3.36Å; V42-I73 HydrophobicContact CG2-CD1 3.6Å; V42-I73 HydrophobicContact CG2-CG2 4.31Å; V42-A76 HydrophobicContact CB-CB 4.4Å; V42-A76 HydrophobicContact CG1-CB 3.66Å; V42-A76 HydrophobicContact CG2-CB 3.79Å; V42-V89 HydrophobicContact CG2-CG1 3.88Å; V42-V89 HydrophobicContact CG2-CG2 4.01Å
43N97.4Very high91.6Very high2 Ų230.7 Ų30.71%0.01117%0.166CC..EExtended strand (participates in β ladder)trans-78.4120166.5-61.9-73.5000108.3L10 N12 T35 V36 Q58L10-N43 HydrophobicContact CD2-CB 4.17Å; N12-N43 PolarHBondContact N-OD1 3.23Å; T35-N43 CarbonylContact C-O 3.54Å; T35-N43 VanDerWaalsContact CA-O 3.29Å; T35-N43 WeakPolarHBondContact CA-O 3.02Å; V36-N43 PolarHBondContact N-O 2.95Å; V36-N43 WeakPolarHBondContact O-CB 3.46Å; V36-N43 PolarHBondContact O-N 2.96Å; V36-N43 PolarHBondContact O-ND2 2.96Å; N43-Q58 PolarHBondContact OD1-NE2 3.39Å
44M97.2Very high91.3Very high4 Ų433.4 Ų33.42%0.0218%0.177CC..EExtended strand (participates in β ladder)trans-119129.9-179.2-168.1177.7178.100109.2Y33 F34 T35 H56 R57 L59 F78 L87 S100Y33-M44 HydrophobicContact CD1-CE 3.63Å; Y33-M44 HydrophobicContact CE1-CE 4.11Å; Y33-M44 HydrophobicContact CG-CE 4.15Å; F34-M44 CarbonylContact O-C 3.6Å; F34-M44 VanDerWaalsContact O-CA 3.31Å; F34-M44 WeakPolarHBondContact O-CA 3.43Å; T35-M44 HydrophobicContact CG2-CB 4.19Å; T35-M44 HydrophobicContact CG2-CG 3.76Å; T35-M44 HydrophobicContact CG2-SD 4.4Å; M44-H56 WeakPolarHBondContact O-CA 3.14Å; M44-R57 WeakPolarHBondContact CA-O 3.36Å; M44-R57 HydrophobicContact CB-CB 4.24Å; M44-R57 WeakPolarHBondContact CB-O 3.35Å; M44-R57 PolarHBondContact N-O 3.35Å; M44-R57 PolarHBondContact O-N 2.8Å; M44-R57 VanDerWaalsContact O-O 3.06Å; M44-L59 HydrophobicContact SD-CD1 4.46Å; M44-F78 HydrophobicContact CE-CE1 3.88Å; M44-F78 HydrophobicContact CE-CZ 3.7Å; M44-L87 HydrophobicContact CE-CD2 4.29Å; M44-L87 HydrophobicContact SD-CD2 3.88Å; M44-S100 WeakPolarHBondContact CE-O 3.45Å
45V96.3Very high91.1Very high1 Ų136.6 Ų36.61%0.00620%0.199CC..EExtended strand (participates in β ladder)trans-128.2128.3-179-167.80000109.8I8 L10 Y33 F34 T47 Y54 S55I8-V45 HydrophobicContact CG2-CB 4.25Å; I8-V45 HydrophobicContact CG2-CG1 3.59Å; I8-V45 HydrophobicContact CG2-CG2 4.41Å; L10-V45 HydrophobicContact CD2-CG2 3.67Å; Y33-V45 CarbonylContact C-O 3.58Å; Y33-V45 VanDerWaalsContact CA-O 3.32Å; Y33-V45 WeakPolarHBondContact CA-O 3.49Å; F34-V45 PolarHBondContact N-O 3.42Å; F34-V45 PolarHBondContact O-N 3.13Å; V45-T47 HydrophobicContact CG1-CG2 4.04Å; V45-Y54 HydrophobicContact CG1-CD2 4.07Å; V45-Y54 HydrophobicContact CG1-CG 4.26Å; V45-S55 WeakPolarHBondContact CA-O 3.47Å; V45-S55 WeakPolarHBondContact CG1-O 3.36Å
46S94.3Very high90.9Very high18 Ų1839.8 Ų39.813%0.12621%0.214CC..EExtended strand (participates in β ladder)trans-101.9125.1171.169.30000108.8T32 Y54 S55T32-S46 CarbonylContact O-C 3.59Å; S46-Y54 CarbonylContact O-C 3.53Å; S46-Y54 WeakPolarHBondContact O-CA 3.18Å; S46-Y54 VanDerWaalsContact O-CB 3.29Å; S46-Y54 WeakPolarHBondContact O-CB 3.04Å; S46-S55 PolarHBondContact N-O 3.43Å; S46-S55 PolarHBondContact O-N 2.73Å; S46-S55 PolarHBondContact OG-OG 2.92Å
47T92.9Very high90.8Very high0 Ų045 Ų450%023%0.234CC..EExtended strand (participates in β ladder)trans-120.1145.8176.576.50000110.9I8 L31 T32 F34 V45 N53I8-T47 HydrophobicContact CD1-CG2 3.55Å; I8-T47 HydrophobicContact CG1-CG2 4.1Å; I8-T47 HydrophobicContact CG2-CG2 4.22Å; L31-T47 CarbonylContact C-O 3.51Å; L31-T47 VanDerWaalsContact CA-O 3.31Å; L31-T47 WeakPolarHBondContact CA-O 3.26Å; L31-T47 WeakPolarHBondContact CD2-O 3.47Å; T32-T47 PolarHBondContact N-O 2.94Å; T32-T47 PolarHBondContact O-N 2.86Å; F34-T47 HydrophobicContact CD2-CG2 4.1Å; F34-T47 HydrophobicContact CE2-CG2 3.95Å; V45-T47 HydrophobicContact CG1-CG2 4.04Å; T47-N53 WeakPolarHBondContact CA-O 3.48Å
48S89.2Confident90.6Very high21 Ų2148.6 Ų48.615%0.14725%0.25CS..EExtended strand (participates in β ladder)trans-63.9154.5160.446.80000110D50 G51 N53S48-D50 WeakPolarHBondContact CB-OD1 3.35Å; S48-D50 PolarHBondContact O-N 2.86Å; S48-D50 PolarHBondContact OG-OD1 3.42Å; S48-G51 WeakPolarHBondContact O-CA 3.42Å; S48-G51 PolarHBondContact O-N 3.45Å; S48-N53 PolarHBondContact N-O 2.83Å; S48-N53 PolarHBondContact OG-N 3.47Å; S48-N53 PolarHBondContact OG-O 2.92Å
49W82.1Confident90.4Very high85 Ų8547 Ų4732%0.32224%0.243SC..THydrogen-bonded Turntrans-61.3-28.5179.9-72.3-1000113.8R25 A27 R30 L31 T32 G51R25-W49 HydrophobicContact CG-CZ2 3.75Å; R25-W49 VanDerWaalsContact NE-CE2 3.3Å; A27-W49 HydrophobicContact CB-CH2 4.12Å; A27-W49 HydrophobicContact CB-CZ2 4.13Å; R30-W49 HydrophobicContact CB-CD2 3.98Å; R30-W49 HydrophobicContact CB-CE3 4.26Å; R30-W49 HydrophobicContact CB-CG 4.2Å; R30-W49 HydrophobicContact CG-CD2 4.38Å; R30-W49 HydrophobicContact CG-CE3 4.18Å; R30-W49 HydrophobicContact CG-CZ3 4.3Å; R30-W49 VanDerWaalsContact O-CD1 3.23Å; R30-W49 PolarHBondContact O-N 2.89Å; R30-W49 VanDerWaalsContact O-N 3.14Å; L31-W49 PolarHBondContact O-NE1 2.96Å; T32-W49 PolarHBondContact OG1-NE1 3.43Å; W49-G51 PolarHBondContact O-N 3.49Å
50D76.6Confident90.1Very high96 Ų9650.7 Ų50.751%0.51326%0.255SS..THydrogen-bonded Turntrans-72.5-7.1172.463.313.4000113.5S48 L52S48-D50 WeakPolarHBondContact CB-OD1 3.35Å; S48-D50 PolarHBondContact O-N 2.86Å; S48-D50 PolarHBondContact OG-OD1 3.42Å; D50-L52 HydrophobicContact CB-CD1 4.33Å; D50-L52 HydrophobicContact CB-CG 4.2Å; D50-L52 PolarHBondContact O-N 2.79Å; D50-L52 VanDerWaalsContact O-N 3.09Å; D50-L52 PolarHBondContact OD1-N 2.92Å
51G72Confident89.4Confident19 Ų1949.1 Ų49.120%0.19625%0.247CC..SBendtrans66.55.1-179.800000115S48 W49S48-G51 WeakPolarHBondContact O-CA 3.42Å; S48-G51 PolarHBondContact O-N 3.45Å; W49-G51 PolarHBondContact O-N 3.49Å
52L74.2Confident88.3Confident127 Ų12755.1 Ų55.167%0.66527%0.272SS*.SBendtrans-78.5-32.5-174.3-65.8178000112.5D50D50-L52 HydrophobicContact CB-CD1 4.33Å; D50-L52 HydrophobicContact CB-CG 4.2Å; D50-L52 PolarHBondContact O-N 2.79Å; D50-L52 VanDerWaalsContact O-N 3.09Å; D50-L52 PolarHBondContact OD1-N 2.92Å
53N83.9Confident87.1Confident114 Ų11458 Ų5861%0.6129%0.286SS*.  trans-121.9133-178.4-62.8-62.7000110.2T47 S48T47-N53 WeakPolarHBondContact CA-O 3.48Å; S48-N53 PolarHBondContact N-O 2.83Å; S48-N53 PolarHBondContact OG-N 3.47Å; S48-N53 PolarHBondContact OG-O 2.92Å
54Y89Confident85.5Confident83 Ų8360.2 Ų60.233%0.32530%0.301SS..EExtended strand (participates in β ladder)trans-143.7155.5171.658.9-97.6000113I8 V45 S46 H56I8-Y54 HydrophobicContact CG2-CD1 4.44Å; I8-Y54 HydrophobicContact CG2-CD2 4.37Å; I8-Y54 HydrophobicContact CG2-CG 4.28Å; V45-Y54 HydrophobicContact CG1-CD2 4.07Å; V45-Y54 HydrophobicContact CG1-CG 4.26Å; S46-Y54 CarbonylContact O-C 3.53Å; S46-Y54 WeakPolarHBondContact O-CA 3.18Å; S46-Y54 VanDerWaalsContact O-CB 3.29Å; S46-Y54 WeakPolarHBondContact O-CB 3.04Å; Y54-H56 AromaticContact CD2-CE1 3.49Å; Y54-H56 VanDerWaalsContact CD2-CE1 3.49Å; Y54-H56 WeakPolarHBondContact CD2-CE1 3.3Å; Y54-H56 AromaticContact CD2-NE2 3.51Å; Y54-H56 AromaticContact CE2-CE1 3.45Å; Y54-H56 VanDerWaalsContact CE2-CE1 3.45Å; Y54-H56 WeakPolarHBondContact CE2-CE1 3.33Å; Y54-H56 AromaticContact CE2-NE2 3.27Å; Y54-H56 VanDerWaalsContact CE2-NE2 3.27Å; Y54-H56 WeakPolarHBondContact CE2-NE2 3.45Å
55S93.4Very high83.8Confident67 Ų6768.2 Ų68.247%0.46934%0.343SS..EExtended strand (participates in β ladder)trans-130.2148.7177.789.90000110.5V45 S46V45-S55 WeakPolarHBondContact CA-O 3.47Å; V45-S55 WeakPolarHBondContact CG1-O 3.36Å; S46-S55 PolarHBondContact N-O 3.43Å; S46-S55 PolarHBondContact O-N 2.73Å; S46-S55 PolarHBondContact OG-OG 2.92Å
56H94.9Very high82.3Confident68 Ų6871.3 Ų71.332%0.31536%0.362SS..EExtended strand (participates in β ladder)trans-109.4139.9-177.9-56.4-68.2000111.8Q9 K11 M44 Y54Q9-H56 PolarHBondContact O-CE1 2.99Å; K11-H56 HydrophobicContact CD-CB 4.05Å; K11-H56 HydrophobicContact CG-CB 4.28Å; M44-H56 WeakPolarHBondContact O-CA 3.14Å; Y54-H56 AromaticContact CD2-CE1 3.49Å; Y54-H56 VanDerWaalsContact CD2-CE1 3.49Å; Y54-H56 WeakPolarHBondContact CD2-CE1 3.3Å; Y54-H56 AromaticContact CD2-NE2 3.51Å; Y54-H56 AromaticContact CE2-CE1 3.45Å; Y54-H56 VanDerWaalsContact CE2-CE1 3.45Å; Y54-H56 WeakPolarHBondContact CE2-CE1 3.33Å; Y54-H56 AromaticContact CE2-NE2 3.27Å; Y54-H56 VanDerWaalsContact CE2-NE2 3.27Å; Y54-H56 WeakPolarHBondContact CE2-NE2 3.45Å
57R95.5Very high80.5Confident111 Ų11175.7 Ų75.742%0.41940%0.399SS..EExtended strand (participates in β ladder)trans-128.2148.4164.2178.8-178.4-67.4-90.71108.5M44 L59 D101M44-R57 WeakPolarHBondContact CA-O 3.36Å; M44-R57 HydrophobicContact CB-CB 4.24Å; M44-R57 WeakPolarHBondContact CB-O 3.35Å; M44-R57 PolarHBondContact N-O 3.35Å; M44-R57 PolarHBondContact O-N 2.8Å; M44-R57 VanDerWaalsContact O-O 3.06Å; R57-L59 HydrophobicContact CG-CD2 4.18Å; R57-D101 WeakPolarHBondContact CD-O 3.38Å; R57-D101 PolarHBondContact NE-O 2.81Å
58Q94.6Very high78.8Confident74 Ų7481.7 Ų81.735%0.34644%0.436SS..EExtended strand (participates in β ladder)trans-122.4132.3170.6-71.3-177.2-50.100108.9K11 N12 V41 V42 N43K11-Q58 VanDerWaalsContact CB-NE2 3.28Å; K11-Q58 HydrophobicContact CD-CG 4.06Å; N12-Q58 PolarHBondContact OD1-NE2 3.02Å; V41-Q58 HydrophobicContact CG1-CB 3.93Å; V41-Q58 HydrophobicContact CG1-CG 4.12Å; V42-Q58 WeakPolarHBondContact O-CA 3.25Å; N43-Q58 PolarHBondContact OD1-NE2 3.39Å
59L92.9Very high77.5Confident15 Ų1582.2 Ų82.28%0.07944%0.44CS..EExtended strand (participates in β ladder)trans-108.8131.8171.7-53.4176000107.4V41 V42 M44 R57 L87 G102V41-L59 CarbonylContact C-O 3.58Å; V41-L59 VanDerWaalsContact CA-O 3.31Å; V41-L59 WeakPolarHBondContact CA-O 3.45Å; V42-L59 HydrophobicContact CB-CB 4.17Å; V42-L59 HydrophobicContact CG2-CB 4.5Å; V42-L59 PolarHBondContact N-O 3.29Å; V42-L59 PolarHBondContact O-N 3.36Å; M44-L59 HydrophobicContact SD-CD1 4.46Å; R57-L59 HydrophobicContact CG-CD2 4.18Å; L59-L87 HydrophobicContact CD1-CD2 3.46Å; L59-L87 VanDerWaalsContact CD1-CD2 3.46Å; L59-G102 WeakPolarHBondContact CD2-O 3.42Å
60Q89.4Confident77.1Confident108 Ų10883 Ų8351%0.50545%0.454SS..EExtended strand (participates in β ladder)trans-103.4140.7171.5-70.7-179.2-13.300107.9V41 K62V41-Q60 HydrophobicContact CG2-CG 4.2Å; Q60-K62 PolarHBondContact O-N 3.29Å; Q60-K62 VanDerWaalsContact O-N 3.09Å
61S79.2Confident77.5Confident7 Ų778.7 Ų78.75%0.04943%0.431CS..  trans-58.8116.4168.4-178.70000108.2N40N40-S61 PolarHBondContact O-N 3.06Å; N40-S61 VanDerWaalsContact O-N 3.15Å
62K72.9Confident78.5Confident137 Ų13781.8 Ų81.860%0.59644%0.443SS*.  trans-116.1126177.5-70.9-178.3-177.9-177.90109.8Q60 Q96Q60-K62 PolarHBondContact O-N 3.29Å; Q60-K62 VanDerWaalsContact O-N 3.09Å; K62-Q96 PolarHBondContact O-NE2 2.89Å
63E70.4Confident79.6Confident60 Ų6075.9 Ų75.928%0.2841%0.412SS..  trans-79.3128.9163.5-163.6168.6-168.300108.4N65 V66 S69 W108E63-N65 PolarHBondContact O-N 3.41Å; E63-V66 HydrophobicContact CB-CB 4.29Å; E63-V66 HydrophobicContact CG-CG2 4.27Å; E63-V66 PolarHBondContact O-N 2.85Å; E63-S69 WeakPolarHBondContact CB-OG 3.32Å; E63-S69 WeakPolarHBondContact OE2-CB 3.38Å; E63-S69 PolarHBondContact OE2-OG 2.7Å; E63-W108 HydrophobicContact CG-CZ2 4.25Å
64P63.8Low80.2Confident50 Ų5072 Ų7233%0.32539%0.391SS..THydrogen-bonded Turntrans-56.3128172.6-22.233.1000109.6M105 W108P64-M105 HydrophobicContact CG-CE 4.4Å; P64-W108 HydrophobicContact CG-CB 4.28Å; P64-W108 HydrophobicContact CG-CD2 4.09Å; P64-W108 HydrophobicContact CG-CG 3.73Å
65N61.9Low80.6Confident172 Ų17268.7 Ų68.792%0.9238%0.378SS*.THydrogen-bonded Turntrans75.210.7175.3-46.8-44.8000117.6E63E63-N65 PolarHBondContact O-N 3.41Å
66V65.9Low80.9Confident66 Ų6665.8 Ų65.840%0.436%0.358SS..  trans-123.2112.9171.1-172.70000109.9E63 T68E63-V66 HydrophobicContact CB-CB 4.29Å; E63-V66 HydrophobicContact CG-CG2 4.27Å; E63-V66 PolarHBondContact O-N 2.85Å; V66-T68 VanDerWaalsContact C-N 3.26Å; V66-T68 PolarHBondContact O-N 3.17Å
67A55.3Low81.1Confident109 Ų10963 Ų6390%0.90135%0.347SS*.SBendtrans-71.3-15.1-172.500000114.6
68T57.1Low81.2Confident127 Ų12758.9 Ų58.978%0.77933%0.332SS*.SBendtrans-131.64-169.2520000115V66 T70V66-T68 VanDerWaalsContact C-N 3.26Å; V66-T68 PolarHBondContact O-N 3.17Å; T68-T70 PolarHBondContact O-N 3.34Å
69S62.2Low81.3Confident32 Ų3255.5 Ų55.522%0.22432%0.316CS..  trans-82.1111.2176.163.40000110.1E63E63-S69 WeakPolarHBondContact CB-OG 3.32Å; E63-S69 WeakPolarHBondContact OE2-CB 3.38Å; E63-S69 PolarHBondContact OE2-OG 2.7Å
70T73.1Confident81.4Confident102 Ų10257.6 Ų57.663%0.62634%0.336SS*.  trans-96.8129.8166.353.40000108.4N40 T68N40-T70 WeakPolarHBondContact ND2-CB 3.3Å; N40-T70 VanDerWaalsContact ND2-CG2 3.3Å; N40-T70 WeakPolarHBondContact ND2-CG2 3.42Å; T68-T70 PolarHBondContact O-N 3.34Å
71S86.6Confident81.7Confident5 Ų552.8 Ų52.84%0.03531%0.314CS..  trans-113.8141.4174.5-179.80000109.2N40 I73 Q92 K93N40-S71 WeakPolarHBondContact CA-O 3.49Å; N40-S71 WeakPolarHBondContact CB-O 3.02Å; S71-I73 PolarHBondContact O-N 3.04Å; S71-Q92 WeakPolarHBondContact OG-CB 3.38Å; S71-Q92 PolarHBondContact OG-N 3.45Å; S71-K93 PolarHBondContact OG-N 3.36Å
72L92.7Very high82.3Confident83 Ų8357.4 Ų57.444%0.43534%0.344SS..  trans-62.7133.6167.1-64176.3000108.7A39 S91 Q92A39-L72 HydrophobicContact CB-CD2 4.16Å; L72-S91 VanDerWaalsContact O-CA 3.26Å; L72-S91 WeakPolarHBondContact O-CA 3.05Å; L72-S91 VanDerWaalsContact O-CB 3.25Å; L72-S91 WeakPolarHBondContact O-CB 3.44Å; L72-Q92 HydrophobicContact CB-CG 4.23Å; L72-Q92 PolarHBondContact O-N 2.74Å; L72-Q92 VanDerWaalsContact O-N 3.09Å
73I96.5Very high83.2Confident3 Ų353.9 Ų53.92%0.01534%0.336CS..EExtended strand (participates in β ladder)trans-89.2132.2173.1-64.3176.6000106.7L17 V37 A39 N40 V42 S71 V89 S90L17-I73 WeakPolarHBondContact CD1-O 3.3Å; V37-I73 HydrophobicContact CB-CG2 4.31Å; V37-I73 HydrophobicContact CG1-CB 3.61Å; V37-I73 HydrophobicContact CG1-CG2 3.56Å; V37-I73 HydrophobicContact CG2-CG2 3.71Å; A39-I73 PolarHBondContact O-N 3.21Å; N40-I73 VanDerWaalsContact C-CD1 3.5Å; N40-I73 WeakPolarHBondContact O-CD1 3.21Å; V42-I73 HydrophobicContact CG2-CD1 3.6Å; V42-I73 HydrophobicContact CG2-CG2 4.31Å; S71-I73 PolarHBondContact O-N 3.04Å; I73-V89 HydrophobicContact CD1-CG1 3.82Å; I73-V89 HydrophobicContact CG1-CG1 4.09Å; I73-V89 HydrophobicContact CG2-CG1 3.69Å; I73-S90 CarbonylContact C-O 3.5Å; I73-S90 WeakPolarHBondContact CA-O 3.5Å; I73-S90 WeakPolarHBondContact CG2-O 3.44Å
74M97.1Very high84.3Confident33 Ų3352.6 Ų52.616%0.16333%0.329CS..EExtended strand (participates in β ladder)trans-97.2-31.7-178.3-54.9-49.8-65.600112.2L17 S90 Q92 F123 A124 R125L17-M74 HydrophobicContact CD2-CE 4.24Å; M74-S90 PolarHBondContact N-O 3.5Å; M74-Q92 HydrophobicContact SD-CG 4.14Å; M74-F123 HydrophobicContact CE-CD2 4.36Å; M74-F123 HydrophobicContact CE-CG 4.33Å; M74-F123 HydrophobicContact CG-CB 3.78Å; M74-F123 HydrophobicContact CG-CD2 4.24Å; M74-F123 HydrophobicContact CG-CG 4.22Å; M74-F123 HydrophobicContact SD-CB 4.35Å; M74-A124 VanDerWaalsContact CB-O 3.23Å; M74-A124 WeakPolarHBondContact CB-O 3.37Å; M74-A124 WeakPolarHBondContact CG-O 3.34Å; M74-R125 HydrophobicContact CB-CB 4.02Å
75Q98.2Very high85.9Confident14 Ų1452.6 Ų52.67%0.06533%0.326CS..EExtended strand (participates in β ladder)trans-161.5145177.4-164.7176.76.400110.6S90 G126 I127Q75-S90 WeakPolarHBondContact CB-OG 3.23Å; Q75-S90 PolarHBondContact N-O 3.3Å; Q75-S90 PolarHBondContact N-OG 2.95Å; Q75-S90 PolarHBondContact O-N 3.37Å; Q75-S90 PolarHBondContact O-OG 3.18Å; Q75-G126 VanDerWaalsContact OE1-CA 3.26Å; Q75-I127 HydrophobicContact CB-CD1 4.1Å; Q75-I127 HydrophobicContact CG-CD1 4.19Å
76A98.4Very high87.6Confident5 Ų544.4 Ų44.44%0.04128%0.282CS..EExtended strand (participates in β ladder)trans-126.4120.9166.900000108.9S22 T35 V37 V42 L87 V88 V89S22-A76 WeakPolarHBondContact CB-O 3.23Å; T35-A76 PolarHBondContact OG1-O 3.21Å; V37-A76 HydrophobicContact CG2-CB 3.71Å; V42-A76 HydrophobicContact CB-CB 4.4Å; V42-A76 HydrophobicContact CG1-CB 3.66Å; V42-A76 HydrophobicContact CG2-CB 3.79Å; A76-L87 HydrophobicContact CB-CD1 4.46Å; A76-V88 CarbonylContact C-O 3.57Å; A76-V88 WeakPolarHBondContact CA-O 3.48Å; A76-V89 HydrophobicContact CB-CG2 4.26Å
77A98.5Very high89.1Confident10 Ų1041.3 Ų41.38%0.08326%0.263CS..EExtended strand (participates in β ladder)trans-136.6143-175.600000111.7V88 I127A77-V88 PolarHBondContact N-O 2.88Å; A77-V88 PolarHBondContact O-N 2.85Å; A77-I127 HydrophobicContact CB-CB 3.93Å; A77-I127 HydrophobicContact CB-CD1 4.07Å; A77-I127 HydrophobicContact CB-CG2 3.97Å
78F98.3Very high91.2Very high25 Ų2536.1 Ų36.111%0.1122%0.22CC..EExtended strand (participates in β ladder)trans-81.4130.9170.4-68.2-69.6000110.1S22 L24 Y33 T35 M44 L86 L87 S100S22-F78 PolarHBondContact OG-N 2.73Å; L24-F78 HydrophobicContact CB-CB 3.84Å; L24-F78 HydrophobicContact CB-CD1 3.89Å; L24-F78 HydrophobicContact CB-CD2 3.45Å; L24-F78 VanDerWaalsContact CB-CD2 3.45Å; L24-F78 HydrophobicContact CB-CE1 4.29Å; L24-F78 HydrophobicContact CB-CE2 3.9Å; L24-F78 HydrophobicContact CB-CG 3.45Å; L24-F78 VanDerWaalsContact CB-CG 3.45Å; L24-F78 HydrophobicContact CB-CZ 4.3Å; L24-F78 HydrophobicContact CD1-CB 4.45Å; L24-F78 HydrophobicContact CD2-CB 4.42Å; L24-F78 HydrophobicContact CD2-CD1 3.69Å; L24-F78 HydrophobicContact CD2-CE1 4.1Å; L24-F78 HydrophobicContact CD2-CG 4.07Å; L24-F78 HydrophobicContact CG-CB 4.46Å; L24-F78 HydrophobicContact CG-CD1 4.4Å; L24-F78 HydrophobicContact CG-CG 4.29Å; Y33-F78 HydrophobicContact CG-CZ 4.39Å; T35-F78 HydrophobicContact CG2-CE1 4.47Å; T35-F78 HydrophobicContact CG2-CE2 3.71Å; T35-F78 HydrophobicContact CG2-CZ 3.57Å; M44-F78 HydrophobicContact CE-CE1 3.88Å; M44-F78 HydrophobicContact CE-CZ 3.7Å; F78-L86 WeakPolarHBondContact CA-O 3.45Å; F78-L87 HydrophobicContact CD1-CB 4.04Å; F78-L87 HydrophobicContact CD1-CD1 4.01Å; F78-L87 HydrophobicContact CE1-CB 3.94Å; F78-L87 HydrophobicContact CE1-CD1 3.92Å; F78-L87 HydrophobicContact CE1-CD2 4.38Å; F78-L87 HydrophobicContact CE1-CG 4.3Å; F78-L87 HydrophobicContact CG-CD1 4.48Å; F78-L87 HydrophobicContact CZ-CD1 4.32Å; F78-S100 WeakPolarHBondContact CE1-O 3.29Å
79C97.8Very high93.1Very high2 Ų230.1 Ų30.11%0.01418%0.184CC..EExtended strand (participates in β ladder)trans-110100.1173.8-75.30000108.1L81 D85 L86 V88 I127 A129 I135C79-L81 PolarHBondContact O-N 3.33Å; C79-D85 WeakPolarHBondContact O-CA 3.34Å; C79-L86 PolarHBondContact N-O 3.39Å; C79-L86 PolarHBondContact O-N 2.96Å; C79-V88 HydrophobicContact CB-CG2 4.19Å; C79-I127 VanDerWaalsContact SG-CG2 3.52Å; C79-A129 HydrophobicContact CB-CB 3.86Å; C79-I135 HydrophobicContact CB-CD1 3.56Å; C79-I135 HydrophobicContact CB-CG1 3.98Å
80A94.9Very high94.8Very high59 Ų5928.6 Ų28.649%0.48817%0.173SC..EExtended strand (participates in β ladder)trans-87.8101.3175.700000109.5L24 D85L24-A80 HydrophobicContact CD1-CB 4.21Å; A80-D85 WeakPolarHBondContact CA-OD1 3.48Å; A80-D85 WeakPolarHBondContact CB-OD1 3.34Å
81L94.8Very high95.8Very high8 Ų823.8 Ų23.84%0.04214%0.143CC..EExtended strand (participates in β ladder)trans-92.8153.9170.6-61164.1000109C79 S83 R84 A129 I135 V149C79-L81 PolarHBondContact O-N 3.33Å; L81-S83 PolarHBondContact O-N 3.48Å; L81-R84 VanDerWaalsContact CB-O 3.3Å; L81-R84 WeakPolarHBondContact CB-O 3.45Å; L81-R84 PolarHBondContact N-O 3.05Å; L81-R84 PolarHBondContact O-N 3.14Å; L81-R84 VanDerWaalsContact O-N 3.14Å; L81-A129 HydrophobicContact CD2-CB 3.85Å; L81-A129 HydrophobicContact CG-CB 4.33Å; L81-I135 HydrophobicContact CD1-CD1 4.39Å; L81-I135 HydrophobicContact CD1-CG1 4.3Å; L81-V149 HydrophobicContact CD1-CB 3.73Å; L81-V149 HydrophobicContact CD1-CG1 3.74Å; L81-V149 HydrophobicContact CD1-CG2 4.2Å
82P92.8Very high96.1Very high104 Ų10427.1 Ų27.168%0.67516%0.158SC*.THydrogen-bonded Turntrans-52-31.5178.4-29.635.9000114.5D132P82-D132 WeakPolarHBondContact CD-O 3.37Å
83S91.8Very high95.9Very high63 Ų6328 Ų2844%0.44116%0.159SC..THydrogen-bonded Turntrans-96.8-20.5-176.864.10000114.7L81 S151L81-S83 PolarHBondContact O-N 3.48Å; S83-S151 WeakPolarHBondContact OG-CA 3.41Å
84R93.7Very high95.7Very high32 Ų3227.9 Ų27.912%0.12116%0.158CC..EExtended strand (participates in β ladder)trans-169.2143.8-175.1-175.1167.5176.6-157.9-3.6112.8L81 L86 E99 G153L81-R84 VanDerWaalsContact CB-O 3.3Å; L81-R84 WeakPolarHBondContact CB-O 3.45Å; L81-R84 PolarHBondContact N-O 3.05Å; L81-R84 PolarHBondContact O-N 3.14Å; L81-R84 VanDerWaalsContact O-N 3.14Å; R84-L86 HydrophobicContact CG-CD2 4.22Å; R84-E99 IonicContact CZ-OE1 2.86Å; R84-E99 IonicContact CZ-OE2 3.52Å; R84-E99 IonicContact NE-OE1 3.82Å; R84-E99 IonicContact NE-OE2 3.03Å; R84-E99 PolarHBondContact NE-OE2 2.98Å; R84-E99 IonicContact NH2-OE1 3.2Å; R84-E99 PolarHBondContact NH2-OE1 2.83Å; R84-E99 IonicContact NH2-OE2 2.62Å; R84-E99 PolarHBondContact NH2-OE2 2.85Å; R84-G153 PolarHBondContact NH1-O 3.42Å
85D95.7Very high95.7Very high51 Ų5126.3 Ų26.327%0.27315%0.151SC..EExtended strand (participates in β ladder)trans-95.1130.8170.5-56.2-44.8000110.9L24 C79 A80 S100L24-D85 HydrophobicContact CD2-CB 3.93Å; C79-D85 WeakPolarHBondContact O-CA 3.34Å; A80-D85 WeakPolarHBondContact CA-OD1 3.48Å; A80-D85 WeakPolarHBondContact CB-OD1 3.34Å; D85-S100 PolarHBondContact O-N 3.47Å
86L97.8Very high95.6Very high0 Ų025.7 Ų25.70%015%0.148CC..EExtended strand (participates in β ladder)trans-120.7150.4173.1-64.1-179.4000111.2F78 C79 R84 Y98 V106 I135 V149 I156F78-L86 WeakPolarHBondContact CA-O 3.45Å; C79-L86 PolarHBondContact N-O 3.39Å; C79-L86 PolarHBondContact O-N 2.96Å; R84-L86 HydrophobicContact CG-CD2 4.22Å; L86-Y98 CarbonylContact C-O 3.5Å; L86-Y98 WeakPolarHBondContact CA-O 3.43Å; L86-Y98 WeakPolarHBondContact CD2-O 3.45Å; L86-V106 HydrophobicContact CD2-CG2 4.11Å; L86-I135 HydrophobicContact CB-CD1 4.4Å; L86-I135 HydrophobicContact CD1-CD1 3.99Å; L86-V149 HydrophobicContact CD1-CG1 3.66Å; L86-I156 HydrophobicContact CD1-CD1 3.96Å
87L98.3Very high95.6Very high0 Ų025.5 Ų25.50%015%0.146CC..EExtended strand (participates in β ladder)trans-100.3117.7165.4172.960.6000108.6T35 M44 L59 A76 F78 V89 Y98T35-L87 HydrophobicContact CG2-CD1 3.95Å; T35-L87 HydrophobicContact CG2-CD2 4.19Å; M44-L87 HydrophobicContact CE-CD2 4.29Å; M44-L87 HydrophobicContact SD-CD2 3.88Å; L59-L87 HydrophobicContact CD1-CD2 3.46Å; L59-L87 VanDerWaalsContact CD1-CD2 3.46Å; A76-L87 HydrophobicContact CB-CD1 4.46Å; F78-L87 HydrophobicContact CD1-CB 4.04Å; F78-L87 HydrophobicContact CD1-CD1 4.01Å; F78-L87 HydrophobicContact CE1-CB 3.94Å; F78-L87 HydrophobicContact CE1-CD1 3.92Å; F78-L87 HydrophobicContact CE1-CD2 4.38Å; F78-L87 HydrophobicContact CE1-CG 4.3Å; F78-L87 HydrophobicContact CG-CD1 4.48Å; F78-L87 HydrophobicContact CZ-CD1 4.32Å; L87-V89 HydrophobicContact CG-CG2 4.24Å; L87-Y98 PolarHBondContact N-O 2.88Å; L87-Y98 PolarHBondContact O-N 3.26Å
88V98.5Very high95.5Very high0 Ų025.9 Ų25.90%015%0.145CC..EExtended strand (participates in β ladder)trans-103.1130.7178.4-174.30000109A76 A77 C79 I95 Q96 M97 I127 I135 V137A76-V88 CarbonylContact C-O 3.57Å; A76-V88 WeakPolarHBondContact CA-O 3.48Å; A77-V88 PolarHBondContact N-O 2.88Å; A77-V88 PolarHBondContact O-N 2.85Å; C79-V88 HydrophobicContact CB-CG2 4.19Å; V88-I95 HydrophobicContact CG1-CG2 3.85Å; V88-Q96 CarbonylContact C-O 3.45Å; V88-Q96 WeakPolarHBondContact CA-O 3.33Å; V88-M97 HydrophobicContact CG1-CG 4.38Å; V88-M97 HydrophobicContact CG2-CG 4.21Å; V88-I127 HydrophobicContact CB-CD1 4.18Å; V88-I127 HydrophobicContact CB-CG2 3.83Å; V88-I127 HydrophobicContact CG1-CD1 3.94Å; V88-I127 HydrophobicContact CG1-CG1 4.34Å; V88-I127 HydrophobicContact CG1-CG2 4Å; V88-I127 HydrophobicContact CG2-CG2 4.22Å; V88-I135 HydrophobicContact CG2-CD1 3.93Å; V88-I135 HydrophobicContact CG2-CG2 4.11Å; V88-V137 HydrophobicContact CG1-CG2 4.28Å
89V98.1Very high95.4Very high2 Ų227.2 Ų27.21%0.01215%0.152CC..EExtended strand (participates in β ladder)trans-122.5117.4179.8-1770000108V42 I73 A76 L87 Q96 Y98V42-V89 HydrophobicContact CG2-CG1 3.88Å; V42-V89 HydrophobicContact CG2-CG2 4.01Å; I73-V89 HydrophobicContact CD1-CG1 3.82Å; I73-V89 HydrophobicContact CG1-CG1 4.09Å; I73-V89 HydrophobicContact CG2-CG1 3.69Å; A76-V89 HydrophobicContact CB-CG2 4.26Å; L87-V89 HydrophobicContact CG-CG2 4.24Å; V89-Q96 HydrophobicContact CB-CB 4.33Å; V89-Q96 PolarHBondContact N-O 2.86Å; V89-Q96 PolarHBondContact O-N 2.9Å; V89-Y98 HydrophobicContact CB-CE2 4.43Å; V89-Y98 HydrophobicContact CG2-CD2 4.17Å; V89-Y98 HydrophobicContact CG2-CE2 4.08Å
90S97.3Very high95.2Very high0 Ų028.2 Ų28.20%016%0.159CC..EExtended strand (participates in β ladder)trans-105.4143.117962.40000110.6I73 M74 Q75 A124I73-S90 CarbonylContact C-O 3.5Å; I73-S90 WeakPolarHBondContact CA-O 3.5Å; I73-S90 WeakPolarHBondContact CG2-O 3.44Å; M74-S90 PolarHBondContact N-O 3.5Å; Q75-S90 WeakPolarHBondContact CB-OG 3.23Å; Q75-S90 PolarHBondContact N-O 3.3Å; Q75-S90 PolarHBondContact N-OG 2.95Å; Q75-S90 PolarHBondContact O-N 3.37Å; Q75-S90 PolarHBondContact O-OG 3.18Å; S90-A124 VanDerWaalsContact CB-O 3.27Å; S90-A124 WeakPolarHBondContact CB-O 3.39Å; S90-A124 PolarHBondContact OG-O 3.21Å
91S95.2Very high95.1Very high0 Ų027.8 Ų27.80%015%0.148CC..EExtended strand (participates in β ladder)trans-146.5178.9-17271.60000111.6L72 K93 G94 A124L72-S91 VanDerWaalsContact O-CA 3.26Å; L72-S91 WeakPolarHBondContact O-CA 3.05Å; L72-S91 VanDerWaalsContact O-CB 3.25Å; L72-S91 WeakPolarHBondContact O-CB 3.44Å; S91-K93 PolarHBondContact O-N 2.92Å; S91-K93 PolarHBondContact OG-N 2.94Å; S91-G94 PolarHBondContact N-O 2.96Å; S91-G94 PolarHBondContact OG-N 3.15Å; S91-G94 VanDerWaalsContact OG-N 3.08Å; S91-G94 PolarHBondContact OG-O 2.84Å; S91-A124 PolarHBondContact O-N 2.83Å; S91-A124 VanDerWaalsContact O-N 3.09Å
92Q91.6Very high95Very high75 Ų7527.6 Ų27.635%0.3515%0.148SC..SBendtrans-67.8-15.5170.8-62178.7-44.700114S71 L72 M74 V122 F123S71-Q92 WeakPolarHBondContact OG-CB 3.38Å; S71-Q92 PolarHBondContact OG-N 3.45Å; L72-Q92 HydrophobicContact CB-CG 4.23Å; L72-Q92 PolarHBondContact O-N 2.74Å; L72-Q92 VanDerWaalsContact O-N 3.09Å; M74-Q92 HydrophobicContact SD-CG 4.14Å; Q92-V122 VanDerWaalsContact CA-O 3.32Å; Q92-V122 WeakPolarHBondContact CA-O 3.41Å; Q92-V122 WeakPolarHBondContact CB-O 3.49Å; Q92-F123 HydrophobicContact CG-CB 4.25Å
93K88.8Confident95Very high103 Ų10325.2 Ų25.245%0.44813%0.134SC..SBendtrans-105-27.7-177.3-68.9-65.7-177.2-179.50113.8S71 S91 W108 L111S71-K93 PolarHBondContact OG-N 3.36Å; S91-K93 PolarHBondContact O-N 2.92Å; S91-K93 PolarHBondContact OG-N 2.94Å; K93-W108 HydrophobicContact CB-CH2 4.07Å; K93-L111 PolarHBondContact O-N 2.96Å
94G93.2Very high95.1Very high0 Ų026.9 Ų26.90%014%0.137CC..EExtended strand (participates in β ladder)trans173.6-178.5-166.500000114.4S91 H109S91-G94 PolarHBondContact N-O 2.96Å; S91-G94 PolarHBondContact OG-N 3.15Å; S91-G94 VanDerWaalsContact OG-N 3.08Å; S91-G94 PolarHBondContact OG-O 2.84Å; G94-H109 CarbonylContact C-O 3.59Å; G94-H109 WeakPolarHBondContact CA-O 3.3Å
95I96.4Very high95.1Very high0 Ų029 Ų290%015%0.149CC..EExtended strand (participates in β ladder)trans-117.2123.5178.9-58.3162.8000107.4V88 M97 W108 H109 L111 A124 V137 L145 F147V88-I95 HydrophobicContact CG1-CG2 3.85Å; I95-M97 HydrophobicContact CG2-CE 4.26Å; I95-W108 WeakPolarHBondContact O-CA 3.4Å; I95-H109 HydrophobicContact CB-CB 4.35Å; I95-H109 PolarHBondContact N-O 2.87Å; I95-H109 PolarHBondContact O-N 2.95Å; I95-L111 HydrophobicContact CD1-CD2 4.43Å; I95-A124 HydrophobicContact CD1-CB 4.04Å; I95-A124 HydrophobicContact CG1-CB 3.68Å; I95-V137 HydrophobicContact CD1-CB 3.78Å; I95-V137 HydrophobicContact CD1-CG1 3.59Å; I95-V137 HydrophobicContact CD1-CG2 4.27Å; I95-V137 HydrophobicContact CG1-CG1 3.96Å; I95-V137 HydrophobicContact CG2-CG2 4.17Å; I95-L145 HydrophobicContact CD1-CD1 3.81Å; I95-F147 HydrophobicContact CD1-CE2 3.89Å; I95-F147 HydrophobicContact CD1-CZ 3.92Å
96Q96.2Very high95.1Very high1 Ų127.4 Ų27.41%0.00514%0.141CC..EExtended strand (participates in β ladder)trans-110.6135.1175.8-64.4179-71.100109.2K62 V88 V89 Y98 M105 W108K62-Q96 PolarHBondContact O-NE2 2.89Å; V88-Q96 CarbonylContact C-O 3.45Å; V88-Q96 WeakPolarHBondContact CA-O 3.33Å; V89-Q96 HydrophobicContact CB-CB 4.33Å; V89-Q96 PolarHBondContact N-O 2.86Å; V89-Q96 PolarHBondContact O-N 2.9Å; Q96-Y98 HydrophobicContact CB-CD2 4.17Å; Q96-Y98 HydrophobicContact CB-CE2 3.42Å; Q96-Y98 VanDerWaalsContact CB-CE2 3.42Å; Q96-Y98 HydrophobicContact CG-CE2 4.36Å; Q96-Y98 PolarHBondContact NE2-OH 3.44Å; Q96-M105 HydrophobicContact CB-SD 4.24Å; Q96-M105 HydrophobicContact CG-SD 3.99Å; Q96-M105 PolarHBondContact NE2-SD 2.89Å; Q96-M105 VanDerWaalsContact NE2-SD 3.37Å; Q96-W108 HydrophobicContact CB-CE3 4.42Å; Q96-W108 HydrophobicContact CG-CD2 4.46Å; Q96-W108 HydrophobicContact CG-CE3 3.25Å; Q96-W108 HydrophobicContact CG-CZ3 3.43Å; Q96-W108 VanDerWaalsContact CG-CZ3 3.43Å
97M97.6Very high95Very high0 Ų029.4 Ų29.40%015%0.149CC..EExtended strand (participates in β ladder)trans-117.8128.6171.6-50.7-177.2-17900109.1V88 I95 M105 V106 Y107 I135 F147 I156V88-M97 HydrophobicContact CG1-CG 4.38Å; V88-M97 HydrophobicContact CG2-CG 4.21Å; I95-M97 HydrophobicContact CG2-CE 4.26Å; M97-M105 CarbonylContact O-C 3.53Å; M97-V106 HydrophobicContact CB-CG2 4.35Å; M97-V106 WeakPolarHBondContact O-CG2 3.35Å; M97-V106 PolarHBondContact O-N 2.93Å; M97-Y107 HydrophobicContact CE-CD1 4.07Å; M97-Y107 HydrophobicContact CE-CE1 4.4Å; M97-Y107 HydrophobicContact CG-CD1 4.19Å; M97-Y107 PolarHBondContact N-O 3.32Å; M97-Y107 PolarHBondContact O-N 2.84Å; M97-Y107 HydrophobicContact SD-CD1 3.95Å; M97-I135 HydrophobicContact CE-CB 4.48Å; M97-I135 HydrophobicContact CE-CG2 4.18Å; M97-I135 HydrophobicContact SD-CD1 4.39Å; M97-F147 HydrophobicContact CE-CB 3.93Å; M97-F147 HydrophobicContact CE-CD1 4.23Å; M97-F147 HydrophobicContact CE-CD2 3.61Å; M97-F147 HydrophobicContact CE-CE2 4.17Å; M97-F147 HydrophobicContact CE-CG 3.65Å; M97-I156 HydrophobicContact CB-CD1 4.44Å; M97-I156 HydrophobicContact CE-CG2 4.4Å; M97-I156 HydrophobicContact SD-CD1 3.6Å; M97-I156 HydrophobicContact SD-CG2 4.03Å
98Y97Very high94.8Very high18 Ų1832 Ų327%0.07116%0.159CC..EExtended strand (participates in β ladder)trans-117.8159.4179.7-63.4-97.8000110.2L86 L87 V89 Q96 I104 M105L86-Y98 CarbonylContact C-O 3.5Å; L86-Y98 WeakPolarHBondContact CA-O 3.43Å; L86-Y98 WeakPolarHBondContact CD2-O 3.45Å; L87-Y98 PolarHBondContact N-O 2.88Å; L87-Y98 PolarHBondContact O-N 3.26Å; V89-Y98 HydrophobicContact CB-CE2 4.43Å; V89-Y98 HydrophobicContact CG2-CD2 4.17Å; V89-Y98 HydrophobicContact CG2-CE2 4.08Å; Q96-Y98 HydrophobicContact CB-CD2 4.17Å; Q96-Y98 HydrophobicContact CB-CE2 3.42Å; Q96-Y98 VanDerWaalsContact CB-CE2 3.42Å; Q96-Y98 HydrophobicContact CG-CE2 4.36Å; Q96-Y98 PolarHBondContact NE2-OH 3.44Å; Y98-I104 CarbonylContact C-O 3.52Å; Y98-I104 WeakPolarHBondContact CA-O 3.37Å; Y98-M105 HydrophobicContact CD1-CB 3.76Å; Y98-M105 HydrophobicContact CD1-CG 4.33Å; Y98-M105 HydrophobicContact CE1-CB 3.53Å; Y98-M105 HydrophobicContact CE1-CG 4Å; Y98-M105 HydrophobicContact CE1-SD 4.48Å
99E95.3Very high94.6Very high54 Ų5434 Ų3425%0.25217%0.168SC..EExtended strand (participates in β ladder)trans-51.1151.2156.9-62.6-67-179.300110.5R84 D101 G102 I104 V106R84-E99 IonicContact CZ-OE1 2.86Å; R84-E99 IonicContact CZ-OE2 3.52Å; R84-E99 IonicContact NE-OE1 3.82Å; R84-E99 IonicContact NE-OE2 3.03Å; R84-E99 PolarHBondContact NE-OE2 2.98Å; R84-E99 IonicContact NH2-OE1 3.2Å; R84-E99 PolarHBondContact NH2-OE1 2.83Å; R84-E99 IonicContact NH2-OE2 2.62Å; R84-E99 PolarHBondContact NH2-OE2 2.85Å; E99-D101 PolarHBondContact O-N 2.84Å; E99-G102 WeakPolarHBondContact O-CA 3.49Å; E99-G102 PolarHBondContact O-N 2.63Å; E99-I104 HydrophobicContact CG-CB 4Å; E99-I104 PolarHBondContact N-O 2.95Å; E99-V106 HydrophobicContact CG-CG1 4.41Å
100S94.7Very high94.3Very high22 Ų2235.6 Ų35.615%0.15418%0.181CC..THydrogen-bonded Turntrans-60.2-17.1-176.7600000115.1M44 F78 D85M44-S100 WeakPolarHBondContact CE-O 3.45Å; F78-S100 WeakPolarHBondContact CE1-O 3.29Å; D85-S100 PolarHBondContact O-N 3.47Å
101D93.1Very high94Very high51 Ų5136.9 Ų36.927%0.27319%0.188SC..THydrogen-bonded Turntrans-89.90.1173.773.1-6.9000113.7R57 E99 S103R57-D101 WeakPolarHBondContact CD-O 3.38Å; R57-D101 PolarHBondContact NE-O 2.81Å; E99-D101 PolarHBondContact O-N 2.84Å; D101-S103 VanDerWaalsContact CG-OG 3.29Å; D101-S103 PolarHBondContact O-N 2.96Å; D101-S103 WeakPolarHBondContact OD1-CB 3.49Å; D101-S103 PolarHBondContact OD1-N 3.24Å; D101-S103 PolarHBondContact OD1-OG 2.78Å; D101-S103 PolarHBondContact OD2-OG 3.26Å
102G93.1Very high92.9Very high3 Ų342.9 Ų42.93%0.03122%0.22CC..SBendtrans69.812.2-177.400000114.5L59 E99L59-G102 WeakPolarHBondContact CD2-O 3.42Å; E99-G102 WeakPolarHBondContact O-CA 3.49Å; E99-G102 PolarHBondContact O-N 2.63Å
103S92.4Very high91.1Very high54 Ų5443.2 Ų43.238%0.37823%0.227SC..SBendtrans-76.8-40.4-173.7630000113.6D101D101-S103 VanDerWaalsContact CG-OG 3.29Å; D101-S103 PolarHBondContact O-N 2.96Å; D101-S103 WeakPolarHBondContact OD1-CB 3.49Å; D101-S103 PolarHBondContact OD1-N 3.24Å; D101-S103 PolarHBondContact OD1-OG 2.78Å; D101-S103 PolarHBondContact OD2-OG 3.26Å
104I93.2Very high89.3Confident98 Ų9844.1 Ų44.150%0.50324%0.244SC..  trans-129126.1-171.3-61.1169.3000108.8Y98 E99 V106Y98-I104 CarbonylContact C-O 3.52Å; Y98-I104 WeakPolarHBondContact CA-O 3.37Å; E99-I104 HydrophobicContact CG-CB 4Å; E99-I104 PolarHBondContact N-O 2.95Å; I104-V106 HydrophobicContact CG2-CG1 4.05Å
105M94.2Very high87.1Confident77 Ų7752.9 Ų52.938%0.37929%0.285SS..EExtended strand (participates in β ladder)trans-78.8124.3167.6-169.6173.969.800108.4P64 Q96 M97 Y98 W108P64-M105 HydrophobicContact CG-CE 4.4Å; Q96-M105 HydrophobicContact CB-SD 4.24Å; Q96-M105 HydrophobicContact CG-SD 3.99Å; Q96-M105 PolarHBondContact NE2-SD 2.89Å; Q96-M105 VanDerWaalsContact NE2-SD 3.37Å; M97-M105 CarbonylContact O-C 3.53Å; Y98-M105 HydrophobicContact CD1-CB 3.76Å; Y98-M105 HydrophobicContact CD1-CG 4.33Å; Y98-M105 HydrophobicContact CE1-CB 3.53Å; Y98-M105 HydrophobicContact CE1-CG 4Å; Y98-M105 HydrophobicContact CE1-SD 4.48Å; M105-W108 HydrophobicContact CE-CB 4.38Å; M105-W108 HydrophobicContact SD-CB 4.49Å
106V95.4Very high84.9Confident18 Ų1855.2 Ų55.211%0.10930%0.304CS..EExtended strand (participates in β ladder)trans-107.5-16-178.3-62.60000113.3L86 M97 E99 I104 S154 I156L86-V106 HydrophobicContact CD2-CG2 4.11Å; M97-V106 HydrophobicContact CB-CG2 4.35Å; M97-V106 WeakPolarHBondContact O-CG2 3.35Å; M97-V106 PolarHBondContact O-N 2.93Å; E99-V106 HydrophobicContact CG-CG1 4.41Å; I104-V106 HydrophobicContact CG2-CG1 4.05Å; V106-S154 WeakPolarHBondContact O-CB 3.45Å; V106-I156 HydrophobicContact CG2-CD1 4.23Å
107Y95.8Very high82.7Confident41 Ų4159.9 Ų59.916%0.16133%0.334CS..EExtended strand (participates in β ladder)trans-154.4150.9176.2-175.7-105.6000112.1M97 H109 F147 I156M97-Y107 HydrophobicContact CE-CD1 4.07Å; M97-Y107 HydrophobicContact CE-CE1 4.4Å; M97-Y107 HydrophobicContact CG-CD1 4.19Å; M97-Y107 PolarHBondContact N-O 3.32Å; M97-Y107 PolarHBondContact O-N 2.84Å; M97-Y107 HydrophobicContact SD-CD1 3.95Å; Y107-H109 HydrophobicContact CE1-CB 3.72Å; Y107-F147 AromaticContact CE1-CD1 3.72Å; Y107-F147 HydrophobicContact CE1-CD1 3.72Å; Y107-F147 AromaticContact CE1-CE1 3.6Å; Y107-F147 HydrophobicContact CE1-CE1 3.6Å; Y107-F147 HydrophobicContact CE1-CZ 4.45Å; Y107-F147 AromaticContact CZ-CE1 4Å; Y107-I156 HydrophobicContact CD1-CB 4.31Å; Y107-I156 HydrophobicContact CD1-CG2 3.93Å; Y107-I156 HydrophobicContact CD2-CB 3.64Å; Y107-I156 HydrophobicContact CD2-CG2 4.05Å; Y107-I156 HydrophobicContact CE1-CG2 4.08Å; Y107-I156 HydrophobicContact CE2-CB 4.1Å; Y107-I156 HydrophobicContact CE2-CG2 4.21Å; Y107-I156 WeakPolarHBondContact CE2-O 3.32Å; Y107-I156 HydrophobicContact CG-CB 3.75Å; Y107-I156 HydrophobicContact CG-CD1 4.35Å; Y107-I156 HydrophobicContact CG-CG2 3.9Å
108W94.3Very high80.6Confident56 Ų5667.3 Ų67.321%0.21238%0.38CS..EExtended strand (participates in β ladder)trans-141.1133.6173.8165.1-103.2000109.3E63 P64 K93 I95 Q96 M105 A110E63-W108 HydrophobicContact CG-CZ2 4.25Å; P64-W108 HydrophobicContact CG-CB 4.28Å; P64-W108 HydrophobicContact CG-CD2 4.09Å; P64-W108 HydrophobicContact CG-CG 3.73Å; K93-W108 HydrophobicContact CB-CH2 4.07Å; I95-W108 WeakPolarHBondContact O-CA 3.4Å; Q96-W108 HydrophobicContact CB-CE3 4.42Å; Q96-W108 HydrophobicContact CG-CD2 4.46Å; Q96-W108 HydrophobicContact CG-CE3 3.25Å; Q96-W108 HydrophobicContact CG-CZ3 3.43Å; Q96-W108 VanDerWaalsContact CG-CZ3 3.43Å; M105-W108 HydrophobicContact CE-CB 4.38Å; M105-W108 HydrophobicContact SD-CB 4.49Å; W108-A110 HydrophobicContact CZ2-CB 4.42Å
109H94.2Very high78.6Confident41 Ų4170.3 Ų70.319%0.1941%0.409CS..EExtended strand (participates in β ladder)trans-126.4122.4171.7-173.588.8000109.1G94 I95 Y107 F147G94-H109 CarbonylContact C-O 3.59Å; G94-H109 WeakPolarHBondContact CA-O 3.3Å; I95-H109 HydrophobicContact CB-CB 4.35Å; I95-H109 PolarHBondContact N-O 2.87Å; I95-H109 PolarHBondContact O-N 2.95Å; Y107-H109 HydrophobicContact CE1-CB 3.72Å; H109-F147 HydrophobicContact CB-CE1 4.12Å; H109-F147 HydrophobicContact CB-CZ 4.13Å; H109-F147 AromaticContact CG-CE1 3.96Å; H109-F147 AromaticContact CG-CZ 3.95Å; H109-F147 AromaticContact ND1-CE1 3.87Å
110A92.4Very high77.1Confident35 Ų3575 Ų7529%0.28943%0.43SS..EExtended strand (participates in β ladder)trans-81.3142.9175.100000110W108 D112W108-A110 HydrophobicContact CZ2-CB 4.42Å; A110-D112 PolarHBondContact O-N 2.96Å
111L89.3Confident76.3Confident27 Ų2777.1 Ų77.114%0.14145%0.449CS..  trans-91.431.2174.9-65.8168.7000112.2K93 I95 V122 A124 V139 L145K93-L111 PolarHBondContact O-N 2.96Å; I95-L111 HydrophobicContact CD1-CD2 4.43Å; L111-V122 HydrophobicContact CB-CG1 3.97Å; L111-A124 HydrophobicContact CD1-CB 3.68Å; L111-A124 HydrophobicContact CD2-CB 4.39Å; L111-V139 HydrophobicContact CD2-CG1 3.58Å; L111-L145 HydrophobicContact CD2-CD1 4.17Å
112D72.3Confident76.1Confident127 Ų12776.7 Ų76.768%0.67945%0.448SS*.  trans-1.8123.6-176.5-78.9-17.6000117.2A110A110-D112 PolarHBondContact O-N 2.96Å
113T54.6Low76.2Confident82 Ų8277.8 Ų77.850%0.50345%0.452SS..  trans-141.583.9159.345.40000113.8A116 V122T113-A116 HydrophobicContact CG2-CB 3.29Å; T113-V122 HydrophobicContact CG2-CG1 4.42Å; T113-V122 HydrophobicContact CG2-CG2 3.73Å
114P49.8Very low76.4Confident122 Ų12275.2 Ų75.279%0.79243%0.434SS*.SBendtrans-75.2-25159.7-14.229.6000112.8
115E48.7Very low76.6Confident184 Ų18471.8 Ų71.886%0.8642%0.415SS*.SBendtrans-132.43.1-167.9-69.4-175.1169.300115.6
116A50.4Low76.8Confident48 Ų4868.1 Ų68.140%0.39740%0.397SS..SBendtrans-65.9133.5176.100000110T113 T118T113-A116 HydrophobicContact CG2-CB 3.29Å; A116-T118 PolarHBondContact O-N 3.1Å; A116-T118 VanDerWaalsContact O-N 3.1Å
117P48.4Very low76.9Confident100 Ų10067.8 Ų67.865%0.64939%0.394SS*.  trans-54.2125.2173.319.6-28.2000108.3A119P117-A119 PolarHBondContact O-N 2.86Å
118T53.6Low77.1Confident155 Ų15566.5 Ų66.595%0.95139%0.391SS*.THydrogen-bonded Turntrans-57.510.2-173.341.20000115.7A116A116-T118 PolarHBondContact O-N 3.1Å; A116-T118 VanDerWaalsContact O-N 3.1Å
119A56.4Low77.2Confident82 Ų8264.6 Ų64.668%0.67839%0.388SS*.THydrogen-bonded Turntrans-94.3-24.9-17400000114.4P117P117-A119 PolarHBondContact O-N 2.86Å
120H63.1Low77.3Confident153 Ų15362.7 Ų62.771%0.70838%0.379SS*.SBendtrans-109.7134.9-175.2-64.8-70.9000112.5V122H120-V122 PolarHBondContact O-N 3.37Å
121A77.2Confident77.2Confident66 Ų6663.6 Ų63.655%0.54538%0.383SS..  trans-66.5124.8175.900000110.2F123 S140A121-F123 HydrophobicContact CB-CD1 4.23Å; A121-F123 HydrophobicContact CB-CE1 4.33Å; A121-S140 WeakPolarHBondContact O-CB 3.09Å; A121-S140 PolarHBondContact O-OG 2.79Å
122V90.2Very high77.3Confident42 Ų4267.7 Ų67.726%0.25541%0.405SS..  trans-93.9125.9175.9-177.90000108.8Q92 L111 T113 H120 S140Q92-V122 VanDerWaalsContact CA-O 3.32Å; Q92-V122 WeakPolarHBondContact CA-O 3.41Å; Q92-V122 WeakPolarHBondContact CB-O 3.49Å; L111-V122 HydrophobicContact CB-CG1 3.97Å; T113-V122 HydrophobicContact CG2-CG1 4.42Å; T113-V122 HydrophobicContact CG2-CG2 3.73Å; H120-V122 PolarHBondContact O-N 3.37Å; V122-S140 WeakPolarHBondContact CA-OG 3.09Å
123F94.2Very high78.4Confident25 Ų2563.9 Ų63.911%0.1138%0.384CS..  trans-162162.7173.760-94.6000112.3M74 Q92 A121 R125 V139 S140 A168M74-F123 HydrophobicContact CE-CD2 4.36Å; M74-F123 HydrophobicContact CE-CG 4.33Å; M74-F123 HydrophobicContact CG-CB 3.78Å; M74-F123 HydrophobicContact CG-CD2 4.24Å; M74-F123 HydrophobicContact CG-CG 4.22Å; M74-F123 HydrophobicContact SD-CB 4.35Å; Q92-F123 HydrophobicContact CG-CB 4.25Å; A121-F123 HydrophobicContact CB-CD1 4.23Å; A121-F123 HydrophobicContact CB-CE1 4.33Å; F123-R125 HydrophobicContact CD2-CG 4.23Å; F123-R125 HydrophobicContact CE2-CG 3.94Å; F123-V139 CarbonylContact O-C 3.6Å; F123-V139 WeakPolarHBondContact O-CA 3.33Å; F123-S140 VanDerWaalsContact CE1-CB 3.44Å; F123-S140 PolarHBondContact N-OG 3.37Å; F123-S140 PolarHBondContact O-N 2.86Å; F123-A168 HydrophobicContact CE2-CB 4.43Å; F123-A168 HydrophobicContact CZ-CB 3.94Å
124A97.1Very high80.4Confident0 Ų061.5 Ų61.50%037%0.367CS..EExtended strand (participates in β ladder)trans-108.1143.8165.200000110.5M74 S90 S91 I95 L111 V137 G138 V139M74-A124 VanDerWaalsContact CB-O 3.23Å; M74-A124 WeakPolarHBondContact CB-O 3.37Å; M74-A124 WeakPolarHBondContact CG-O 3.34Å; S90-A124 VanDerWaalsContact CB-O 3.27Å; S90-A124 WeakPolarHBondContact CB-O 3.39Å; S90-A124 PolarHBondContact OG-O 3.21Å; S91-A124 PolarHBondContact O-N 2.83Å; S91-A124 VanDerWaalsContact O-N 3.09Å; I95-A124 HydrophobicContact CD1-CB 4.04Å; I95-A124 HydrophobicContact CG1-CB 3.68Å; L111-A124 HydrophobicContact CD1-CB 3.68Å; L111-A124 HydrophobicContact CD2-CB 4.39Å; A124-V137 HydrophobicContact CB-CG1 3.93Å; A124-G138 CarbonylContact C-O 3.59Å; A124-G138 WeakPolarHBondContact CA-O 3.12Å; A124-G138 WeakPolarHBondContact CB-O 3.38Å; A124-V139 HydrophobicContact CB-CG1 4.24Å
125R97.1Very high82.7Confident27 Ų2755.7 Ų55.710%0.10233%0.329CS..EExtended strand (participates in β ladder)trans-163.6171.116874.7179.2174.7177.40.7109.7Y18 M74 F123 G138 I169 D191Y18-R125 VanDerWaalsContact CE2-NH1 3.35Å; M74-R125 HydrophobicContact CB-CB 4.02Å; F123-R125 HydrophobicContact CD2-CG 4.23Å; F123-R125 HydrophobicContact CE2-CG 3.94Å; R125-G138 PolarHBondContact N-O 3.11Å; R125-G138 CarbonylContact O-C 3.57Å; R125-G138 WeakPolarHBondContact O-CA 3.15Å; R125-G138 PolarHBondContact O-N 3.01Å; R125-G138 VanDerWaalsContact O-N 3.11Å; R125-I169 WeakPolarHBondContact CG-O 3.26Å; R125-I169 PolarHBondContact NE-O 3.14Å; R125-I169 PolarHBondContact NH2-O 2.75Å; R125-D191 IonicContact CZ-OD1 3.37Å; R125-D191 IonicContact NH1-OD1 3.63Å; R125-D191 IonicContact NH2-OD1 3.21Å; R125-D191 PolarHBondContact NH2-OD1 2.93Å; R125-D191 IonicContact NH2-OD2 3.42Å; R125-D191 PolarHBondContact NH2-OD2 2.98Å
126G98.2Very high85.1Confident0 Ų047 Ų470%029%0.288CS..EExtended strand (participates in β ladder)trans75.1105.8-170.400000108.6Q75 V137 G138 I172Q75-G126 VanDerWaalsContact OE1-CA 3.26Å; G126-V137 CarbonylContact O-C 3.59Å; G126-V137 VanDerWaalsContact O-CA 3.27Å; G126-V137 WeakPolarHBondContact O-CA 3.43Å; G126-G138 PolarHBondContact O-N 2.93Å; G126-I172 WeakPolarHBondContact O-CD1 3.32Å
127I98.8Very high87.4Confident10 Ų1044.7 Ų44.75%0.05127%0.269CS..EExtended strand (participates in β ladder)trans-130.8129.6-172.7-60.6168000108Q75 A77 C79 V88 C136 V137Q75-I127 HydrophobicContact CB-CD1 4.1Å; Q75-I127 HydrophobicContact CG-CD1 4.19Å; A77-I127 HydrophobicContact CB-CB 3.93Å; A77-I127 HydrophobicContact CB-CD1 4.07Å; A77-I127 HydrophobicContact CB-CG2 3.97Å; C79-I127 VanDerWaalsContact SG-CG2 3.52Å; V88-I127 HydrophobicContact CB-CD1 4.18Å; V88-I127 HydrophobicContact CB-CG2 3.83Å; V88-I127 HydrophobicContact CG1-CD1 3.94Å; V88-I127 HydrophobicContact CG1-CG1 4.34Å; V88-I127 HydrophobicContact CG1-CG2 4Å; V88-I127 HydrophobicContact CG2-CG2 4.22Å; I127-C136 WeakPolarHBondContact CA-O 3.41Å; I127-V137 HydrophobicContact CG1-CG1 4.27Å; I127-V137 HydrophobicContact CG1-CG2 4.44Å
128S98.4Very high89.8Confident14 Ų1439.9 Ų39.910%0.09824%0.238CC..EExtended strand (participates in β ladder)trans-148141.2173.3-153.20000112.8I135 C136 S174S128-I135 WeakPolarHBondContact O-CA 3.33Å; S128-C136 PolarHBondContact N-O 2.59Å; S128-C136 PolarHBondContact O-N 3.08Å; S128-S174 PolarHBondContact OG-N 3.41Å; S128-S174 VanDerWaalsContact OG-N 3.14Å; S128-S174 PolarHBondContact OG-OG 3.33Å
129A97.6Very high91.9Very high17 Ų1733.1 Ų33.114%0.1420%0.196CC..EExtended strand (participates in β ladder)trans-81.9131.5163.800000108.7C79 L81 Y134 S174C79-A129 HydrophobicContact CB-CB 3.86Å; L81-A129 HydrophobicContact CD2-CB 3.85Å; L81-A129 HydrophobicContact CG-CB 4.33Å; A129-Y134 CarbonylContact C-O 3.57Å; A129-Y134 WeakPolarHBondContact CA-O 2.94Å; A129-S174 WeakPolarHBondContact O-CB 3.39Å; A129-S174 PolarHBondContact O-OG 2.86Å
130V95.6Very high93.8Very high1 Ų130.6 Ų30.61%0.00617%0.174CC..EExtended strand (participates in β ladder)trans-129.7131.8-175.2-169.30000108.7Y134 C136 L186 F204V130-Y134 PolarHBondContact N-O 3.28Å; V130-Y134 WeakPolarHBondContact O-CB 3.2Å; V130-Y134 PolarHBondContact O-N 2.92Å; V130-Y134 VanDerWaalsContact O-N 3.14Å; V130-C136 HydrophobicContact CG2-CB 4.3Å; V130-L186 HydrophobicContact CG1-CB 4.19Å; V130-L186 HydrophobicContact CG2-CD1 3.56Å; V130-L186 HydrophobicContact CG2-CD2 4.38Å; V130-L186 HydrophobicContact CG2-CG 4.39Å; V130-F204 HydrophobicContact CG1-CE1 4.21Å; V130-F204 HydrophobicContact CG1-CZ 4.34Å
131S90.4Very high95.2Very high53 Ų5327.2 Ų27.237%0.37117%0.168SC..THydrogen-bonded Turntrans55.1-141.5179.5-59.90000111.9N185 S200S131-N185 PolarHBondContact OG-ND2 2.95Å; S131-S200 PolarHBondContact OG-OG 2.8Å
132D90.3Very high96.2Very high113 Ų11324.1 Ų24.160%0.60414%0.142SC*.THydrogen-bonded Turntrans-88-25.3-170-67.6-22.7000114.1P82P82-D132 WeakPolarHBondContact CD-O 3.37Å
133N95.5Very high96.5Very high47 Ų4722.5 Ų22.525%0.25113%0.133SC..THydrogen-bonded Turntrans-147.6-1.8-165.362.5-38.6000114.9D148 V149N133-D148 PolarHBondContact ND2-OD1 3.36Å; N133-V149 WeakPolarHBondContact O-CA 3.41Å; N133-V149 VanDerWaalsContact O-CB 3.23Å; N133-V149 WeakPolarHBondContact O-CB 3.31Å; N133-V149 PolarHBondContact O-N 3.44Å
134Y97.6Very high96.7Very high33 Ų3321.3 Ų21.313%0.12913%0.127CC..EExtended strand (participates in β ladder)trans-98.2140.1-176.2-61.7-62.3000112.6A129 V130 V146 F147 D148 G201 F204A129-Y134 CarbonylContact C-O 3.57Å; A129-Y134 WeakPolarHBondContact CA-O 2.94Å; V130-Y134 PolarHBondContact N-O 3.28Å; V130-Y134 WeakPolarHBondContact O-CB 3.2Å; V130-Y134 PolarHBondContact O-N 2.92Å; V130-Y134 VanDerWaalsContact O-N 3.14Å; Y134-V146 HydrophobicContact CD1-CG1 3.85Å; Y134-V146 HydrophobicContact CG-CG1 4.16Å; Y134-F147 WeakPolarHBondContact CA-O 3.23Å; Y134-D148 HydrophobicContact CD1-CB 4.37Å; Y134-D148 HydrophobicContact CE1-CB 4.11Å; Y134-G201 PolarHBondContact OH-O 3.2Å; Y134-F204 AromaticContact CD2-CE2 3.95Å; Y134-F204 HydrophobicContact CD2-CE2 3.95Å; Y134-F204 HydrophobicContact CD2-CZ 4.05Å; Y134-F204 HydrophobicContact CE2-CE2 4.2Å; Y134-F204 HydrophobicContact CG-CE2 4.16Å; Y134-F204 HydrophobicContact CG-CZ 4.24Å
135I98.6Very high96.8Very high0 Ų022 Ų220%013%0.131CC..EExtended strand (participates in β ladder)trans-117122.9163.4-68.2179.4000107.8C79 L81 L86 V88 M97 S128 V137 F147 V149C79-I135 HydrophobicContact CB-CD1 3.56Å; C79-I135 HydrophobicContact CB-CG1 3.98Å; L81-I135 HydrophobicContact CD1-CD1 4.39Å; L81-I135 HydrophobicContact CD1-CG1 4.3Å; L86-I135 HydrophobicContact CB-CD1 4.4Å; L86-I135 HydrophobicContact CD1-CD1 3.99Å; V88-I135 HydrophobicContact CG2-CD1 3.93Å; V88-I135 HydrophobicContact CG2-CG2 4.11Å; M97-I135 HydrophobicContact CE-CB 4.48Å; M97-I135 HydrophobicContact CE-CG2 4.18Å; M97-I135 HydrophobicContact SD-CD1 4.39Å; S128-I135 WeakPolarHBondContact O-CA 3.33Å; I135-V137 HydrophobicContact CG2-CG2 4.03Å; I135-F147 PolarHBondContact N-O 2.54Å; I135-F147 WeakPolarHBondContact O-CD2 3.31Å; I135-F147 PolarHBondContact O-N 2.95Å; I135-V149 HydrophobicContact CB-CG2 4.21Å; I135-V149 HydrophobicContact CD1-CG2 3.84Å; I135-V149 HydrophobicContact CG1-CG2 3.85Å
136C98.8Very high96.9Very high0 Ų020.7 Ų20.70%013%0.126CC..EExtended strand (participates in β ladder)trans-99.9133.7175.5-64.10000109.7I127 S128 V130 V144 L145 I172I127-C136 WeakPolarHBondContact CA-O 3.41Å; S128-C136 PolarHBondContact N-O 2.59Å; S128-C136 PolarHBondContact O-N 3.08Å; V130-C136 HydrophobicContact CG2-CB 4.3Å; C136-V144 HydrophobicContact CB-CG1 3.94Å; C136-L145 CarbonylContact C-O 3.53Å; C136-L145 WeakPolarHBondContact CA-O 3.45Å; C136-I172 HydrophobicContact CB-CD1 4.33Å; C136-I172 HydrophobicContact CB-CG2 4.33Å
137V98.8Very high96.9Very high0 Ų020.7 Ų20.70%013%0.126CC..EExtended strand (participates in β ladder)trans-132125.7175.5-172.70000110.3V88 I95 A124 G126 I127 I135 L145 F147V88-V137 HydrophobicContact CG1-CG2 4.28Å; I95-V137 HydrophobicContact CD1-CB 3.78Å; I95-V137 HydrophobicContact CD1-CG1 3.59Å; I95-V137 HydrophobicContact CD1-CG2 4.27Å; I95-V137 HydrophobicContact CG1-CG1 3.96Å; I95-V137 HydrophobicContact CG2-CG2 4.17Å; A124-V137 HydrophobicContact CB-CG1 3.93Å; G126-V137 CarbonylContact O-C 3.59Å; G126-V137 VanDerWaalsContact O-CA 3.27Å; G126-V137 WeakPolarHBondContact O-CA 3.43Å; I127-V137 HydrophobicContact CG1-CG1 4.27Å; I127-V137 HydrophobicContact CG1-CG2 4.44Å; I135-V137 HydrophobicContact CG2-CG2 4.03Å; V137-L145 PolarHBondContact N-O 2.69Å; V137-L145 PolarHBondContact O-N 3.46Å; V137-F147 HydrophobicContact CB-CE2 4.24Å; V137-F147 HydrophobicContact CG2-CD2 4.31Å; V137-F147 HydrophobicContact CG2-CE2 4.09Å
138G98.5Very high96.8Very high0 Ų022.6 Ų22.60%014%0.137CC..EExtended strand (participates in β ladder)trans-79.3155.4176.800000113A124 R125 G126A124-G138 CarbonylContact C-O 3.59Å; A124-G138 WeakPolarHBondContact CA-O 3.12Å; A124-G138 WeakPolarHBondContact CB-O 3.38Å; R125-G138 PolarHBondContact N-O 3.11Å; R125-G138 CarbonylContact O-C 3.57Å; R125-G138 WeakPolarHBondContact O-CA 3.15Å; R125-G138 PolarHBondContact O-N 3.01Å; R125-G138 VanDerWaalsContact O-N 3.11Å; G126-G138 PolarHBondContact O-N 2.93Å
139V97.4Very high96.8Very high12 Ų1222 Ų227%0.07313%0.133CC..EExtended strand (participates in β ladder)trans-127.5163.8175-61.90000112.3L111 F123 A124 S141 G142 A143 L145 I169L111-V139 HydrophobicContact CD2-CG1 3.58Å; F123-V139 CarbonylContact O-C 3.6Å; F123-V139 WeakPolarHBondContact O-CA 3.33Å; A124-V139 HydrophobicContact CB-CG1 4.24Å; V139-S141 WeakPolarHBondContact CG2-OG 3.27Å; V139-S141 PolarHBondContact O-N 3.38Å; V139-G142 PolarHBondContact O-N 3.04Å; V139-A143 HydrophobicContact CG2-CB 3.62Å; V139-A143 WeakPolarHBondContact CG2-O 3.32Å; V139-A143 PolarHBondContact N-O 2.8Å; V139-L145 HydrophobicContact CG1-CD1 3.88Å; V139-L145 HydrophobicContact CG1-CG 4.09Å; V139-I169 PolarHBondContact O-N 2.95Å
140S95.7Very high96.7Very high30 Ų3023 Ų2321%0.2114%0.137CC..THydrogen-bonded Turntrans-67.5-14.3-176.365.20000114.7A121 V122 F123 G142 A168A121-S140 WeakPolarHBondContact O-CB 3.09Å; A121-S140 PolarHBondContact O-OG 2.79Å; V122-S140 WeakPolarHBondContact CA-OG 3.09Å; F123-S140 VanDerWaalsContact CE1-CB 3.44Å; F123-S140 PolarHBondContact N-OG 3.37Å; F123-S140 PolarHBondContact O-N 2.86Å; S140-G142 VanDerWaalsContact C-N 3.29Å; S140-A168 WeakPolarHBondContact O-CA 3.47Å; S140-A168 WeakPolarHBondContact O-CB 3.15Å
141S94.3Very high96.6Very high82 Ų8226.2 Ų26.257%0.57316%0.16SC*.THydrogen-bonded Turntrans-78.6-10171.360.90000113.9V139 A143V139-S141 WeakPolarHBondContact CG2-OG 3.27Å; V139-S141 PolarHBondContact O-N 3.38Å; S141-A143 PolarHBondContact OG-N 3.33Å
142G96.1Very high96.6Very high1 Ų132 Ų321%0.0118%0.178CC..SBendtrans92.2-4.3-171.800000114.4V139 S140 H165 E167 I169V139-G142 PolarHBondContact O-N 3.04Å; S140-G142 VanDerWaalsContact C-N 3.29Å; G142-H165 WeakPolarHBondContact O-CB 3.19Å; G142-E167 WeakPolarHBondContact CA-O 3.19Å; G142-I169 WeakPolarHBondContact O-CD1 3.2Å
143A97.6Very high96.6Very high7 Ų728.7 Ų28.76%0.05817%0.171CC..  trans-72.215417200000111.8V139 S141 V161 L162 E163V139-A143 HydrophobicContact CG2-CB 3.62Å; V139-A143 WeakPolarHBondContact CG2-O 3.32Å; V139-A143 PolarHBondContact N-O 2.8Å; S141-A143 PolarHBondContact OG-N 3.33Å; A143-V161 HydrophobicContact CB-CG1 3.89Å; A143-L162 CarbonylContact C-O 3.6Å; A143-L162 VanDerWaalsContact CA-O 3.3Å; A143-L162 WeakPolarHBondContact CA-O 3.35Å; A143-E163 HydrophobicContact CB-CG 4.26Å
144V98.7Very high96.5Very high0 Ų030.4 Ų30.40%019%0.187CC..EExtended strand (participates in β ladder)trans-118.5117.3170.1179.30000108.4C136 V161 L162 I169 I172 T188C136-V144 HydrophobicContact CB-CG1 3.94Å; V144-V161 WeakPolarHBondContact O-CA 3.12Å; V144-L162 HydrophobicContact CB-CB 4.11Å; V144-L162 HydrophobicContact CB-CD1 4.26Å; V144-L162 HydrophobicContact CB-CG 4.31Å; V144-L162 HydrophobicContact CG1-CD1 4.29Å; V144-L162 PolarHBondContact N-O 2.64Å; V144-L162 PolarHBondContact O-N 2.96Å; V144-I169 HydrophobicContact CG2-CD1 3.9Å; V144-I169 HydrophobicContact CG2-CG1 3.96Å; V144-I172 HydrophobicContact CG1-CD1 3.78Å; V144-I172 HydrophobicContact CG2-CD1 4.21Å; V144-T188 HydrophobicContact CG2-CG2 3.92Å
145L98.7Very high96.3Very high15 Ų1534.8 Ų34.88%0.07921%0.212CC..EExtended strand (participates in β ladder)trans-84.6124.6177.3-56-178.2000109.3I95 L111 C136 V137 V139 F147 L158 V161I95-L145 HydrophobicContact CD1-CD1 3.81Å; L111-L145 HydrophobicContact CD2-CD1 4.17Å; C136-L145 CarbonylContact C-O 3.53Å; C136-L145 WeakPolarHBondContact CA-O 3.45Å; V137-L145 PolarHBondContact N-O 2.69Å; V137-L145 PolarHBondContact O-N 3.46Å; V139-L145 HydrophobicContact CG1-CD1 3.88Å; V139-L145 HydrophobicContact CG1-CG 4.09Å; L145-F147 HydrophobicContact CB-CD2 4.46Å; L145-F147 HydrophobicContact CB-CE2 3.63Å; L145-F147 HydrophobicContact CB-CZ 3.86Å; L145-F147 HydrophobicContact CD1-CE2 4.42Å; L145-F147 HydrophobicContact CD1-CZ 4.04Å; L145-L158 HydrophobicContact CB-CD1 3.83Å; L145-L158 HydrophobicContact CD2-CD1 4.19Å; L145-V161 HydrophobicContact CD2-CB 4.49Å; L145-V161 HydrophobicContact CD2-CG1 4.03Å; L145-V161 HydrophobicContact CD2-CG2 3.82Å
146V98.6Very high96.3Very high0 Ų035.1 Ų35.10%021%0.214CC..EExtended strand (participates in β ladder)trans-105.9115.7179.1-176.30000109.1Y134 S159 E160 L162 F204Y134-V146 HydrophobicContact CD1-CG1 3.85Å; Y134-V146 HydrophobicContact CG-CG1 4.16Å; V146-S159 PolarHBondContact O-N 3.35Å; V146-E160 HydrophobicContact CB-CB 4.03Å; V146-E160 HydrophobicContact CG2-CB 4.22Å; V146-E160 PolarHBondContact N-O 2.86Å; V146-E160 PolarHBondContact O-N 2.96Å; V146-L162 HydrophobicContact CG2-CD1 4.02Å; V146-L162 HydrophobicContact CG2-CD2 4.21Å; V146-L162 HydrophobicContact CG2-CG 3.91Å; V146-F204 HydrophobicContact CG1-CD2 4.14Å; V146-F204 HydrophobicContact CG1-CE2 3.51Å; V146-F204 HydrophobicContact CG1-CZ 3.96Å; V146-F204 HydrophobicContact CG2-CD2 4.33Å; V146-F204 HydrophobicContact CG2-CE2 4.33Å
147F98.4Very high96.2Very high0 Ų037.9 Ų37.90%023%0.231CC..EExtended strand (participates in β ladder)trans-102.5127.9178.8-60.8-83.4000111I95 M97 Y107 H109 Y134 I135 V137 L145 I156 T157 L158I95-F147 HydrophobicContact CD1-CE2 3.89Å; I95-F147 HydrophobicContact CD1-CZ 3.92Å; M97-F147 HydrophobicContact CE-CB 3.93Å; M97-F147 HydrophobicContact CE-CD1 4.23Å; M97-F147 HydrophobicContact CE-CD2 3.61Å; M97-F147 HydrophobicContact CE-CE2 4.17Å; M97-F147 HydrophobicContact CE-CG 3.65Å; Y107-F147 AromaticContact CE1-CD1 3.72Å; Y107-F147 HydrophobicContact CE1-CD1 3.72Å; Y107-F147 AromaticContact CE1-CE1 3.6Å; Y107-F147 HydrophobicContact CE1-CE1 3.6Å; Y107-F147 HydrophobicContact CE1-CZ 4.45Å; Y107-F147 AromaticContact CZ-CE1 4Å; H109-F147 HydrophobicContact CB-CE1 4.12Å; H109-F147 HydrophobicContact CB-CZ 4.13Å; H109-F147 AromaticContact CG-CE1 3.96Å; H109-F147 AromaticContact CG-CZ 3.95Å; H109-F147 AromaticContact ND1-CE1 3.87Å; Y134-F147 WeakPolarHBondContact CA-O 3.23Å; I135-F147 PolarHBondContact N-O 2.54Å; I135-F147 WeakPolarHBondContact O-CD2 3.31Å; I135-F147 PolarHBondContact O-N 2.95Å; V137-F147 HydrophobicContact CB-CE2 4.24Å; V137-F147 HydrophobicContact CG2-CD2 4.31Å; V137-F147 HydrophobicContact CG2-CE2 4.09Å; L145-F147 HydrophobicContact CB-CD2 4.46Å; L145-F147 HydrophobicContact CB-CE2 3.63Å; L145-F147 HydrophobicContact CB-CZ 3.86Å; L145-F147 HydrophobicContact CD1-CE2 4.42Å; L145-F147 HydrophobicContact CD1-CZ 4.04Å; F147-I156 HydrophobicContact CB-CG2 3.98Å; F147-I156 HydrophobicContact CD1-CG2 4.35Å; F147-T157 CarbonylContact C-O 3.56Å; F147-T157 VanDerWaalsContact CA-O 3.24Å; F147-T157 WeakPolarHBondContact CA-O 3.47Å; F147-L158 HydrophobicContact CD1-CB 4.29Å; F147-L158 HydrophobicContact CD1-CD1 4.21Å; F147-L158 HydrophobicContact CE1-CB 4.16Å; F147-L158 HydrophobicContact CE1-CD1 3.89Å; F147-L158 HydrophobicContact CZ-CD1 4.13Å
148D97.3Very high96.2Very high50 Ų5041.1 Ų41.127%0.26725%0.248SC..EExtended strand (participates in β ladder)trans-80.7122.3167177.234.2000109.7N133 Y134 I156 T157N133-D148 PolarHBondContact ND2-OD1 3.36Å; Y134-D148 HydrophobicContact CD1-CB 4.37Å; Y134-D148 HydrophobicContact CE1-CB 4.11Å; D148-I156 WeakPolarHBondContact O-CA 3.29Å; D148-T157 PolarHBondContact N-O 2.87Å; D148-T157 PolarHBondContact O-N 2.82Å; D148-T157 VanDerWaalsContact O-N 3.14Å
149V97.4Very high96.1Very high2 Ų244.3 Ų44.31%0.01227%0.27CS..  trans-112.1111.9-175.2-1760000109.6L81 L86 N133 I135 I156L81-V149 HydrophobicContact CD1-CB 3.73Å; L81-V149 HydrophobicContact CD1-CG1 3.74Å; L81-V149 HydrophobicContact CD1-CG2 4.2Å; L86-V149 HydrophobicContact CD1-CG1 3.66Å; N133-V149 WeakPolarHBondContact O-CA 3.41Å; N133-V149 VanDerWaalsContact O-CB 3.23Å; N133-V149 WeakPolarHBondContact O-CB 3.31Å; N133-V149 PolarHBondContact O-N 3.44Å; I135-V149 HydrophobicContact CB-CG2 4.21Å; I135-V149 HydrophobicContact CD1-CG2 3.84Å; I135-V149 HydrophobicContact CG1-CG2 3.85Å; V149-I156 HydrophobicContact CG1-CD1 4.08Å; V149-I156 HydrophobicContact CG1-CG1 4.23Å; V149-I156 HydrophobicContact CG2-CD1 4.34Å; V149-I156 HydrophobicContact CG2-CG1 4.46Å; V149-I156 HydrophobicContact CG2-CG2 4.3Å
150P96Very high96.1Very high36 Ų3646.2 Ų46.223%0.23428%0.278CS..  trans-69.1152.6175.830.4-34.8000110.5K152 N155P150-K152 PolarHBondContact O-N 3.06Å; P150-N155 WeakPolarHBondContact CD-O 3.21Å; P150-N155 HydrophobicContact CG-CB 4.47Å
151S93.9Very high96.2Very high70 Ų7047.7 Ų47.749%0.4929%0.286SS..SBendtrans-54.4-26.6177.8600000114.3S83S83-S151 WeakPolarHBondContact OG-CA 3.41Å
152K90.6Very high96.4Very high174 Ų17444 Ų4476%0.75726%0.26SS*.SBendtrans-148.3157.7178-63.2-175.8-177.5175.60111.3P150P150-K152 PolarHBondContact O-N 3.06Å
153G89.9Confident96.4Very high44 Ų4451.3 Ų51.345%0.45429%0.294SS..SBendtrans88.3-164.1174.700000113.3R84R84-G153 PolarHBondContact NH1-O 3.42Å
154S92.6Very high96.5Very high83 Ų8354.7 Ų54.758%0.5831%0.309SS*.SBendtrans-116.89.2-174.356.90000113.4V106 I156V106-S154 WeakPolarHBondContact O-CB 3.45Å; S154-I156 PolarHBondContact O-N 2.92Å
155N95.1Very high96.4Very high124 Ų12455.4 Ų55.466%0.66331%0.312SS*.  trans-82.451.3-177.8-16441.3000111.8P150P150-N155 WeakPolarHBondContact CD-O 3.21Å; P150-N155 HydrophobicContact CG-CB 4.47Å
156I97.3Very high96.2Very high7 Ų763.7 Ų63.74%0.03635%0.347CS..  trans-76.4135.1173.3-62.5179.3000107.5L86 M97 V106 Y107 F147 D148 V149 S154L86-I156 HydrophobicContact CD1-CD1 3.96Å; M97-I156 HydrophobicContact CB-CD1 4.44Å; M97-I156 HydrophobicContact CE-CG2 4.4Å; M97-I156 HydrophobicContact SD-CD1 3.6Å; M97-I156 HydrophobicContact SD-CG2 4.03Å; V106-I156 HydrophobicContact CG2-CD1 4.23Å; Y107-I156 HydrophobicContact CD1-CB 4.31Å; Y107-I156 HydrophobicContact CD1-CG2 3.93Å; Y107-I156 HydrophobicContact CD2-CB 3.64Å; Y107-I156 HydrophobicContact CD2-CG2 4.05Å; Y107-I156 HydrophobicContact CE1-CG2 4.08Å; Y107-I156 HydrophobicContact CE2-CB 4.1Å; Y107-I156 HydrophobicContact CE2-CG2 4.21Å; Y107-I156 WeakPolarHBondContact CE2-O 3.32Å; Y107-I156 HydrophobicContact CG-CB 3.75Å; Y107-I156 HydrophobicContact CG-CD1 4.35Å; Y107-I156 HydrophobicContact CG-CG2 3.9Å; F147-I156 HydrophobicContact CB-CG2 3.98Å; F147-I156 HydrophobicContact CD1-CG2 4.35Å; D148-I156 WeakPolarHBondContact O-CA 3.29Å; V149-I156 HydrophobicContact CG1-CD1 4.08Å; V149-I156 HydrophobicContact CG1-CG1 4.23Å; V149-I156 HydrophobicContact CG2-CD1 4.34Å; V149-I156 HydrophobicContact CG2-CG1 4.46Å; V149-I156 HydrophobicContact CG2-CG2 4.3Å; S154-I156 PolarHBondContact O-N 2.92Å
157T97.4Very high96Very high59 Ų5968.6 Ų68.636%0.36237%0.37SS..EExtended strand (participates in β ladder)trans-129148.4-17864.40000111F147 D148 S159F147-T157 CarbonylContact C-O 3.56Å; F147-T157 VanDerWaalsContact CA-O 3.24Å; F147-T157 WeakPolarHBondContact CA-O 3.47Å; D148-T157 PolarHBondContact N-O 2.87Å; D148-T157 PolarHBondContact O-N 2.82Å; D148-T157 VanDerWaalsContact O-N 3.14Å; T157-S159 PolarHBondContact O-N 2.84Å
158L97.6Very high95.9Very high68 Ų6869 Ų6936%0.35637%0.374SS..EExtended strand (participates in β ladder)trans-76112.9169179.468.7000107.6L145 F147 V161L145-L158 HydrophobicContact CB-CD1 3.83Å; L145-L158 HydrophobicContact CD2-CD1 4.19Å; F147-L158 HydrophobicContact CD1-CB 4.29Å; F147-L158 HydrophobicContact CD1-CD1 4.21Å; F147-L158 HydrophobicContact CE1-CB 4.16Å; F147-L158 HydrophobicContact CE1-CD1 3.89Å; F147-L158 HydrophobicContact CZ-CD1 4.13Å; L158-V161 HydrophobicContact CD1-CG2 4.37Å; L158-V161 HydrophobicContact CD2-CG2 4.01Å; L158-V161 HydrophobicContact CG-CG2 4.44Å
159S97Very high96Very high66 Ų6666.7 Ų66.746%0.46236%0.361SS..EExtended strand (participates in β ladder)trans-88.7-45.8-176.1-170.80000111.8V146 T157V146-S159 PolarHBondContact O-N 3.35Å; T157-S159 PolarHBondContact O-N 2.84Å
160E97.5Very high96Very high52 Ų5266.7 Ų66.724%0.24336%0.361CS..EExtended strand (participates in β ladder)trans-148.8156.5-172.9-161.3179.2163.100110.7V146 L162 F204V146-E160 HydrophobicContact CB-CB 4.03Å; V146-E160 HydrophobicContact CG2-CB 4.22Å; V146-E160 PolarHBondContact N-O 2.86Å; V146-E160 PolarHBondContact O-N 2.96Å; E160-L162 HydrophobicContact CB-CD2 4.5Å; E160-L162 VanDerWaalsContact CD-CD2 3.44Å; E160-L162 HydrophobicContact CG-CD2 3.82Å; E160-L162 WeakPolarHBondContact OE1-CD2 3.49Å; E160-F204 WeakPolarHBondContact OE2-CD2 3.46Å; E160-F204 PolarHBondContact OE2-N 3.37Å
161V98.1Very high96.1Very high61 Ų6165.1 Ų65.137%0.3735%0.351SS..EExtended strand (participates in β ladder)trans-127.1116.3171.5-178.10000108.1A143 V144 L145 L158 E163A143-V161 HydrophobicContact CB-CG1 3.89Å; V144-V161 WeakPolarHBondContact O-CA 3.12Å; L145-V161 HydrophobicContact CD2-CB 4.49Å; L145-V161 HydrophobicContact CD2-CG1 4.03Å; L145-V161 HydrophobicContact CD2-CG2 3.82Å; L158-V161 HydrophobicContact CD1-CG2 4.37Å; L158-V161 HydrophobicContact CD2-CG2 4.01Å; L158-V161 HydrophobicContact CG-CG2 4.44Å; V161-E163 HydrophobicContact CG1-CG 3.86Å
162L98.4Very high96.4Very high6 Ų662 Ų623%0.03133%0.328CS..EExtended strand (participates in β ladder)trans-93.9117.9-179.1-39177.5000109.5A143 V144 V146 E160 W198 F204A143-L162 CarbonylContact C-O 3.6Å; A143-L162 VanDerWaalsContact CA-O 3.3Å; A143-L162 WeakPolarHBondContact CA-O 3.35Å; V144-L162 HydrophobicContact CB-CB 4.11Å; V144-L162 HydrophobicContact CB-CD1 4.26Å; V144-L162 HydrophobicContact CB-CG 4.31Å; V144-L162 HydrophobicContact CG1-CD1 4.29Å; V144-L162 PolarHBondContact N-O 2.64Å; V144-L162 PolarHBondContact O-N 2.96Å; V146-L162 HydrophobicContact CG2-CD1 4.02Å; V146-L162 HydrophobicContact CG2-CD2 4.21Å; V146-L162 HydrophobicContact CG2-CG 3.91Å; E160-L162 HydrophobicContact CB-CD2 4.5Å; E160-L162 VanDerWaalsContact CD-CD2 3.44Å; E160-L162 HydrophobicContact CG-CD2 3.82Å; E160-L162 WeakPolarHBondContact OE1-CD2 3.49Å; L162-W198 HydrophobicContact CB-CH2 3.62Å; L162-W198 HydrophobicContact CB-CZ2 4.19Å; L162-W198 HydrophobicContact CB-CZ3 4.04Å; L162-W198 HydrophobicContact CD1-CD2 4.15Å; L162-W198 HydrophobicContact CD1-CE3 4.04Å; L162-W198 HydrophobicContact CD1-CH2 4.05Å; L162-W198 HydrophobicContact CD1-CZ2 4.22Å; L162-W198 HydrophobicContact CD1-CZ3 3.99Å; L162-W198 HydrophobicContact CD2-CZ3 4.36Å; L162-W198 HydrophobicContact CG-CH2 4.34Å; L162-W198 HydrophobicContact CG-CZ3 4.35Å; L162-F204 HydrophobicContact CD1-CB 4.08Å; L162-F204 HydrophobicContact CD1-CD1 4.11Å; L162-F204 HydrophobicContact CD1-CG 4.21Å; L162-F204 HydrophobicContact CD2-CB 3.64Å; L162-F204 HydrophobicContact CD2-CG 4.3Å
163E97Very high96.7Very high154 Ų15454 Ų5472%0.7229%0.294SS*.  trans-116.152.8-171-60.8-169122.800112.5A143 V161A143-E163 HydrophobicContact CB-CG 4.26Å; V161-E163 HydrophobicContact CG1-CG 3.86Å
164E97.8Very high97.1Very high78 Ų7853.4 Ų53.436%0.36428%0.283SS..  trans-101.1-23.8-175.9-67.8-63.9162.900114.8W198 L206 K209E164-W198 HydrophobicContact CB-CH2 3.66Å; E164-W198 HydrophobicContact CB-CZ2 3.96Å; E164-W198 HydrophobicContact CG-CH2 3.26Å; E164-W198 HydrophobicContact CG-CZ2 4.06Å; E164-W198 HydrophobicContact CG-CZ3 3.97Å; E164-L206 HydrophobicContact CG-CD2 4.1Å; E164-K209 PolarHBondContact O-NZ 2.85Å; E164-K209 WeakPolarHBondContact OE2-CE 3.23Å; E164-K209 IonicContact OE2-NZ 2.61Å; E164-K209 PolarHBondContact OE2-NZ 2.81Å
165H97.1Very high97.2Very high14 Ų1451 Ų517%0.06526%0.263CS..  trans-88.2150.2175.1-66.9-90.2000111.1G142 I169 T188 D190 N194 C196G142-H165 WeakPolarHBondContact O-CB 3.19Å; H165-I169 HydrophobicContact CB-CD1 3.82Å; H165-I169 WeakPolarHBondContact CD2-CD1 3.13Å; H165-T188 PolarHBondContact CE1-O 3.22Å; H165-T188 PolarHBondContact NE2-O 3.18Å; H165-T188 PolarHBondContact NE2-OG1 3.09Å; H165-D190 HydrophobicContact CB-CB 4.24Å; H165-D190 IonicContact CE1-OD2 2.73Å; H165-D190 IonicContact CG-OD2 3.78Å; H165-D190 WeakPolarHBondContact ND1-CB 3.48Å; H165-D190 VanDerWaalsContact ND1-CG 3.32Å; H165-D190 IonicContact ND1-OD2 3.01Å; H165-D190 PolarHBondContact ND1-OD2 3.2Å; H165-N194 PolarHBondContact CE1-O 3.14Å; H165-N194 VanDerWaalsContact CE1-O 3.26Å; H165-C196 VanDerWaalsContact CE1-SG 3.59Å; H165-C196 WeakPolarHBondContact NE2-CB 3.43Å; H165-C196 PolarHBondContact NE2-SG 2.9Å; H165-C196 VanDerWaalsContact NE2-SG 3.38Å
166K94.2Very high97Very high190 Ų19047.2 Ų47.283%0.82625%0.246SC*.SBendtrans-107.8-10.8178.8-63-178.5-179.8177.60113.4
167E95.6Very high96.4Very high103 Ų10347.1 Ų47.148%0.48125%0.246SC..SBendtrans-119.6162.5-179.8-65.2-61.615400109.2G142 I169 D190 D191G142-E167 WeakPolarHBondContact CA-O 3.19Å; E167-I169 PolarHBondContact O-N 2.84Å; E167-D190 HydrophobicContact CB-CB 4.08Å; E167-D191 HydrophobicContact CB-CB 4.32Å
168A96.6Very high95.1Very high9 Ų948.2 Ų48.27%0.07427%0.269CS..  trans-56.8130.4-178.500000111.9F123 S140 T170 D190 D191F123-A168 HydrophobicContact CE2-CB 4.43Å; F123-A168 HydrophobicContact CZ-CB 3.94Å; S140-A168 WeakPolarHBondContact O-CA 3.47Å; S140-A168 WeakPolarHBondContact O-CB 3.15Å; A168-T170 PolarHBondContact O-N 2.85Å; A168-D190 CarbonylContact O-C 3.2Å; A168-D190 WeakPolarHBondContact O-CA 3.32Å; A168-D191 PolarHBondContact O-N 3.38Å
169I98.4Very high93.3Very high0 Ų049.8 Ų49.80%029%0.285CS..EExtended strand (participates in β ladder)trans-60.7132.7175.2-59.7-58.1000109.6R125 V139 G142 V144 H165 E167 I172 A189R125-I169 WeakPolarHBondContact CG-O 3.26Å; R125-I169 PolarHBondContact NE-O 3.14Å; R125-I169 PolarHBondContact NH2-O 2.75Å; V139-I169 PolarHBondContact O-N 2.95Å; G142-I169 WeakPolarHBondContact O-CD1 3.2Å; V144-I169 HydrophobicContact CG2-CD1 3.9Å; V144-I169 HydrophobicContact CG2-CG1 3.96Å; H165-I169 HydrophobicContact CB-CD1 3.82Å; H165-I169 WeakPolarHBondContact CD2-CD1 3.13Å; E167-I169 PolarHBondContact O-N 2.84Å; I169-I172 HydrophobicContact CG2-CD1 4.1Å; I169-I172 HydrophobicContact CG2-CG1 3.81Å; I169-A189 CarbonylContact C-O 3.53Å; I169-A189 WeakPolarHBondContact CA-O 3.16Å; I169-A189 WeakPolarHBondContact CG2-O 3.2Å
170T98.1Very high91.6Very high2 Ų253 Ų531%0.01229%0.293CS..EExtended strand (participates in β ladder)trans-98.3-46.9-179.847.30000113A168 A189 D190 D191 T216 C217A168-T170 PolarHBondContact O-N 2.85Å; T170-A189 PolarHBondContact N-O 2.86Å; T170-A189 WeakPolarHBondContact OG1-CB 3.45Å; T170-A189 PolarHBondContact OG1-O 3.14Å; T170-A189 VanDerWaalsContact OG1-O 3.05Å; T170-D190 PolarHBondContact OG1-N 3.18Å; T170-D191 HydrophobicContact CG2-CB 4.4Å; T170-D191 WeakPolarHBondContact CG2-OD1 3.4Å; T170-T216 HydrophobicContact CG2-CG2 4.12Å; T170-C217 WeakPolarHBondContact CB-O 3.32Å; T170-C217 WeakPolarHBondContact CG2-O 3.5Å; T170-C217 PolarHBondContact OG1-O 3.14Å
171D98.6Very high90.5Very high4 Ų460 Ų602%0.02133%0.326CS..EExtended strand (participates in β ladder)trans-155.1155.9-176.6-161.516.4000110.2N19 A189 S219 V220 K221N19-D171 VanDerWaalsContact ND2-CG 3.29Å; N19-D171 PolarHBondContact ND2-OD2 2.71Å; D171-A189 PolarHBondContact O-N 3.13Å; D171-S219 VanDerWaalsContact OD2-CA 3.23Å; D171-S219 WeakPolarHBondContact OD2-CA 3.25Å; D171-S219 PolarHBondContact OD2-OG 3.19Å; D171-V220 HydrophobicContact CB-CG1 4.13Å; D171-V220 PolarHBondContact OD2-N 3.35Å; D171-K221 IonicContact OD2-NZ 3.91Å; D171-K221 PolarHBondContact OD2-NZ 2.98Å
172I98.8Very high89.7Confident4 Ų459.3 Ų59.32%0.02132%0.318CS..EExtended strand (participates in β ladder)trans-137136.3178-56.6-175.5000107.6G126 C136 V144 I169 L186 V187 T188G126-I172 WeakPolarHBondContact O-CD1 3.32Å; C136-I172 HydrophobicContact CB-CD1 4.33Å; C136-I172 HydrophobicContact CB-CG2 4.33Å; V144-I172 HydrophobicContact CG1-CD1 3.78Å; V144-I172 HydrophobicContact CG2-CD1 4.21Å; I169-I172 HydrophobicContact CG2-CD1 4.1Å; I169-I172 HydrophobicContact CG2-CG1 3.81Å; I172-L186 HydrophobicContact CG2-CD1 3.28Å; I172-L186 HydrophobicContact CG2-CG 4.33Å; I172-V187 WeakPolarHBondContact CA-O 3.23Å; I172-T188 HydrophobicContact CD1-CG2 4.17Å; I172-T188 HydrophobicContact CG1-CG2 4.02Å; I172-T188 HydrophobicContact CG2-CG2 4Å
173A98.4Very high89.3Confident5 Ų564.2 Ų64.24%0.04134%0.344CS..EExtended strand (participates in β ladder)trans-138.9140.6175.200000112.4L186 V187 V220 K221A173-L186 CarbonylContact O-C 3.44Å; A173-L186 WeakPolarHBondContact O-CA 3.26Å; A173-L186 WeakPolarHBondContact O-CD1 3.27Å; A173-V187 HydrophobicContact CB-CG1 4.08Å; A173-V187 PolarHBondContact N-O 3.02Å; A173-V187 PolarHBondContact O-N 2.9Å; A173-V220 HydrophobicContact CB-CG1 4.16Å; A173-V220 VanDerWaalsContact CB-O 3.32Å; A173-V220 WeakPolarHBondContact CB-O 3.26Å; A173-K221 HydrophobicContact CB-CD 4.26Å
174S97Very high89.1Confident32 Ų3257 Ų5722%0.22431%0.31CS..EExtended strand (participates in β ladder)trans-93.1160.2168.951.60000112S128 A129 C176 N185S128-S174 PolarHBondContact OG-N 3.41Å; S128-S174 VanDerWaalsContact OG-N 3.14Å; S128-S174 PolarHBondContact OG-OG 3.33Å; A129-S174 WeakPolarHBondContact O-CB 3.39Å; A129-S174 PolarHBondContact O-OG 2.86Å; S174-C176 PolarHBondContact O-N 3.46Å; S174-N185 CarbonylContact C-O 3.52Å; S174-N185 WeakPolarHBondContact CA-O 3.19Å; S174-N185 WeakPolarHBondContact CB-O 3.43Å
175E95.8Very high89.1Confident33 Ų3354.7 Ų54.715%0.15430%0.301CS..BIsolated β-bridgetrans-61.9127170.4174.456-116.300110.2S177 F182 N185 L222 K224 G225E175-S177 WeakPolarHBondContact OE1-CB 3.43Å; E175-S177 PolarHBondContact OE1-N 2.96Å; E175-S177 PolarHBondContact OE1-OG 2.88Å; E175-F182 HydrophobicContact CG-CB 4.39Å; E175-F182 HydrophobicContact CG-CD2 3.79Å; E175-F182 HydrophobicContact CG-CG 4.43Å; E175-N185 HydrophobicContact CB-CB 4.24Å; E175-N185 PolarHBondContact N-O 2.79Å; E175-L222 HydrophobicContact CB-CD2 3.95Å; E175-L222 HydrophobicContact CB-CG 4.07Å; E175-K224 PolarHBondContact OE1-N 2.83Å; E175-K224 WeakPolarHBondContact OE2-CA 3.37Å; E175-K224 PolarHBondContact OE2-N 2.93Å; E175-G225 PolarHBondContact OE2-N 2.81Å
176C90.8Very high89.1Confident45 Ų4554 Ų5430%0.30430%0.298SS..  trans-116.6-0.4-168.362.20000114.7S174 G178 L222 I262 P264S174-C176 PolarHBondContact O-N 3.46Å; C176-G178 VanDerWaalsContact C-N 3.3Å; C176-G178 PolarHBondContact O-N 2.61Å; C176-L222 PolarHBondContact N-O 2.82Å; C176-L222 PolarHBondContact SG-O 2.89Å; C176-I262 WeakPolarHBondContact SG-CG2 3.34Å; C176-P264 HydrophobicContact CB-CB 4.42Å; C176-P264 WeakPolarHBondContact O-CB 3.45Å
177S84.8Confident89.3Confident5 Ų545 Ų454%0.03526%0.258CS..  trans-75.1-10.5-175.961.50000115.6E175 S179 F182 K224E175-S177 WeakPolarHBondContact OE1-CB 3.43Å; E175-S177 PolarHBondContact OE1-N 2.96Å; E175-S177 PolarHBondContact OE1-OG 2.88Å; S177-S179 PolarHBondContact O-N 2.91Å; S177-S179 PolarHBondContact O-OG 3.36Å; S177-F182 WeakPolarHBondContact OG-CE2 3.04Å; S177-K224 VanDerWaalsContact CB-CG 3.46Å
178G69Low89.5Confident82 Ų8240.1 Ų40.185%0.84524%0.235SC*.  trans62.21.9166.200000118.1C176C176-G178 VanDerWaalsContact C-N 3.3Å; C176-G178 PolarHBondContact O-N 2.61Å
179S59.3Low89.6Confident100 Ų10039.7 Ų39.770%0.69923%0.232SC*.SBendtrans-129.6-13.7-166.648.70000115.3S177S177-S179 PolarHBondContact O-N 2.91Å; S177-S179 PolarHBondContact O-OG 3.36Å
180Q62.9Low89.5Confident134 Ų13439.7 Ų39.763%0.62623%0.232SC*.SBendtrans-141.2134.7-179.1-171.5168.21500109.7F182Q180-F182 VanDerWaalsContact C-N 3.34Å; Q180-F182 HydrophobicContact CB-CD2 4.25Å; Q180-F182 HydrophobicContact CB-CE2 3.57Å; Q180-F182 HydrophobicContact CB-CZ 3.83Å; Q180-F182 HydrophobicContact CG-CE2 4.19Å; Q180-F182 HydrophobicContact CG-CZ 4.08Å; Q180-F182 WeakPolarHBondContact O-CD2 3.47Å; Q180-F182 PolarHBondContact O-N 2.99Å
181E73.3Confident89.4Confident200 Ų20042 Ų4294%0.93524%0.244SC*.  trans-69.395.6170.3-74.1-174.9-179.700108.1
182F82.8Confident89.2Confident46 Ų4642.3 Ų42.320%0.20225%0.248CC..  trans-77.1141.7166.7-66.2-82.4000108.7E175 S177 Q180 A184 K224E175-F182 HydrophobicContact CG-CB 4.39Å; E175-F182 HydrophobicContact CG-CD2 3.79Å; E175-F182 HydrophobicContact CG-CG 4.43Å; S177-F182 WeakPolarHBondContact OG-CE2 3.04Å; Q180-F182 VanDerWaalsContact C-N 3.34Å; Q180-F182 HydrophobicContact CB-CD2 4.25Å; Q180-F182 HydrophobicContact CB-CE2 3.57Å; Q180-F182 HydrophobicContact CB-CZ 3.83Å; Q180-F182 HydrophobicContact CG-CE2 4.19Å; Q180-F182 HydrophobicContact CG-CZ 4.08Å; Q180-F182 WeakPolarHBondContact O-CD2 3.47Å; Q180-F182 PolarHBondContact O-N 2.99Å; F182-A184 VanDerWaalsContact C-N 3.27Å; F182-A184 WeakPolarHBondContact CB-O 3.05Å; F182-A184 PolarHBondContact O-N 3.09Å; F182-K224 VanDerWaalsContact CD1-C 3.5Å; F182-K224 HydrophobicContact CE1-CB 4.06Å; F182-K224 WeakPolarHBondContact CE1-O 3.46Å; F182-K224 HydrophobicContact CE2-CB 4.14Å; F182-K224 HydrophobicContact CE2-CG 4.21Å; F182-K224 HydrophobicContact CZ-CB 3.6Å; F182-K224 HydrophobicContact CZ-CG 3.94Å
183L88.9Confident89.1Confident109 Ų10942.1 Ų42.157%0.57125%0.247SC*.SBendtrans-58.5-43.5178.6-72.6173.3000111.3K199 L207 V242L183-K199 WeakPolarHBondContact O-CB 3.49Å; L183-K199 VanDerWaalsContact O-CG 3.3Å; L183-K199 WeakPolarHBondContact O-CG 3.24Å; L183-L207 HydrophobicContact CB-CD1 4.49Å; L183-V242 HydrophobicContact CB-CG2 4.21Å; L183-V242 HydrophobicContact CD1-CG2 4.46Å
184A94Very high89.1Confident2 Ų244.6 Ų44.62%0.01726%0.26CS..  trans-88131.3171.700000109.9F182 V197 W198 L207 A241F182-A184 VanDerWaalsContact C-N 3.27Å; F182-A184 WeakPolarHBondContact CB-O 3.05Å; F182-A184 PolarHBondContact O-N 3.09Å; A184-V197 HydrophobicContact CB-CG1 3.37Å; A184-W198 WeakPolarHBondContact CA-O 3.16Å; A184-L207 HydrophobicContact CB-CD1 3.8Å; A184-A241 HydrophobicContact CB-CB 3.71Å
185N96.1Very high89.1Confident30 Ų3043.1 Ų43.116%0.1625%0.249CC..  trans-133.51.5178.169.4-4.1000114.2S131 S174 E175 W198 S200S131-N185 PolarHBondContact OG-ND2 2.95Å; S174-N185 CarbonylContact C-O 3.52Å; S174-N185 WeakPolarHBondContact CA-O 3.19Å; S174-N185 WeakPolarHBondContact CB-O 3.43Å; E175-N185 HydrophobicContact CB-CB 4.24Å; E175-N185 PolarHBondContact N-O 2.79Å; N185-W198 PolarHBondContact N-O 3.09Å; N185-W198 PolarHBondContact OD1-O 2.78Å; N185-S200 PolarHBondContact ND2-OG 3.37Å; N185-S200 PolarHBondContact OD1-N 2.98Å
186L98.1Very high89.3Confident0 Ų041.7 Ų41.70%024%0.243CC..EExtended strand (participates in β ladder)trans-142.5140.3173.817768.6000109.8V130 I172 A173 T188 W198 F204V130-L186 HydrophobicContact CG1-CB 4.19Å; V130-L186 HydrophobicContact CG2-CD1 3.56Å; V130-L186 HydrophobicContact CG2-CD2 4.38Å; V130-L186 HydrophobicContact CG2-CG 4.39Å; I172-L186 HydrophobicContact CG2-CD1 3.28Å; I172-L186 HydrophobicContact CG2-CG 4.33Å; A173-L186 CarbonylContact O-C 3.44Å; A173-L186 WeakPolarHBondContact O-CA 3.26Å; A173-L186 WeakPolarHBondContact O-CD1 3.27Å; L186-T188 HydrophobicContact CD2-CG2 4.36Å; L186-T188 HydrophobicContact CG-CG2 4.37Å; L186-W198 HydrophobicContact CB-CB 4.12Å; L186-W198 HydrophobicContact CD2-CB 4.35Å; L186-W198 HydrophobicContact CD2-CG 4.28Å; L186-W198 PolarHBondContact N-O 3.28Å; L186-W198 PolarHBondContact O-N 3Å; L186-F204 HydrophobicContact CD2-CD1 3.94Å; L186-F204 HydrophobicContact CD2-CE1 3.62Å
187V98.8Very high89.7Confident0 Ų039.5 Ų39.50%023%0.229CC..EExtended strand (participates in β ladder)trans-131.4138.8168.362.50000109.9I172 A173 L195 C196 V197 V220 L222 V227I172-V187 WeakPolarHBondContact CA-O 3.23Å; A173-V187 HydrophobicContact CB-CG1 4.08Å; A173-V187 PolarHBondContact N-O 3.02Å; A173-V187 PolarHBondContact O-N 2.9Å; V187-L195 HydrophobicContact CG2-CB 4.31Å; V187-C196 WeakPolarHBondContact CA-O 3.14Å; V187-V197 HydrophobicContact CG2-CG2 4.24Å; V187-V220 HydrophobicContact CB-CG2 4.39Å; V187-V220 HydrophobicContact CG1-CB 4.39Å; V187-V220 HydrophobicContact CG1-CG1 3.93Å; V187-V220 HydrophobicContact CG1-CG2 3.57Å; V187-V220 HydrophobicContact CG2-CG2 3.87Å; V187-L222 HydrophobicContact CG1-CB 3.93Å; V187-V227 HydrophobicContact CB-CG2 4.34Å; V187-V227 HydrophobicContact CG2-CG1 3.91Å; V187-V227 HydrophobicContact CG2-CG2 4.06Å
188T98.8Very high90.3Very high0 Ų039.6 Ų39.60%023%0.228CC..EExtended strand (participates in β ladder)trans-122.7139.8178.756.40000108.5V144 H165 I172 L186 L195 C196 W198V144-T188 HydrophobicContact CG2-CG2 3.92Å; H165-T188 PolarHBondContact CE1-O 3.22Å; H165-T188 PolarHBondContact NE2-O 3.18Å; H165-T188 PolarHBondContact NE2-OG1 3.09Å; I172-T188 HydrophobicContact CD1-CG2 4.17Å; I172-T188 HydrophobicContact CG1-CG2 4.02Å; I172-T188 HydrophobicContact CG2-CG2 4Å; L186-T188 HydrophobicContact CD2-CG2 4.36Å; L186-T188 HydrophobicContact CG-CG2 4.37Å; T188-L195 CarbonylContact O-C 3.56Å; T188-L195 VanDerWaalsContact O-CA 3.25Å; T188-L195 WeakPolarHBondContact O-CA 3.48Å; T188-C196 PolarHBondContact N-O 3.37Å; T188-C196 PolarHBondContact O-N 3.34Å; T188-C196 WeakPolarHBondContact OG1-CB 3.33Å; T188-C196 PolarHBondContact OG1-O 2.84Å; T188-W198 PolarHBondContact OG1-NE1 3.39Å
189A98.4Very high91.6Very high0 Ų039.8 Ų39.80%021%0.206CC..EExtended strand (participates in β ladder)trans-121.9151.7179.700000110.8I169 T170 D171 N194 L195 C217 V220I169-A189 CarbonylContact C-O 3.53Å; I169-A189 WeakPolarHBondContact CA-O 3.16Å; I169-A189 WeakPolarHBondContact CG2-O 3.2Å; T170-A189 PolarHBondContact N-O 2.86Å; T170-A189 WeakPolarHBondContact OG1-CB 3.45Å; T170-A189 PolarHBondContact OG1-O 3.14Å; T170-A189 VanDerWaalsContact OG1-O 3.05Å; D171-A189 PolarHBondContact O-N 3.13Å; A189-N194 WeakPolarHBondContact CA-O 3.43Å; A189-L195 HydrophobicContact CB-CD2 3.55Å; A189-C217 HydrophobicContact CB-CB 4.08Å; A189-V220 HydrophobicContact CB-CB 4.23Å; A189-V220 HydrophobicContact CB-CG1 4.16Å
190D97.3Very high93.4Very high1 Ų135.7 Ų35.71%0.00518%0.177CC..EExtended strand (participates in β ladder)trans-125.7173.2176.170.626000114.2H165 E167 A168 T170 G192 G193 N194H165-D190 HydrophobicContact CB-CB 4.24Å; H165-D190 IonicContact CE1-OD2 2.73Å; H165-D190 IonicContact CG-OD2 3.78Å; H165-D190 WeakPolarHBondContact ND1-CB 3.48Å; H165-D190 VanDerWaalsContact ND1-CG 3.32Å; H165-D190 IonicContact ND1-OD2 3.01Å; H165-D190 PolarHBondContact ND1-OD2 3.2Å; E167-D190 HydrophobicContact CB-CB 4.08Å; A168-D190 CarbonylContact O-C 3.2Å; A168-D190 WeakPolarHBondContact O-CA 3.32Å; T170-D190 PolarHBondContact OG1-N 3.18Å; D190-G192 PolarHBondContact O-N 2.99Å; D190-G192 VanDerWaalsContact OD1-C 3.31Å; D190-G192 VanDerWaalsContact OD1-CA 3.3Å; D190-G192 WeakPolarHBondContact OD1-CA 3.45Å; D190-G192 PolarHBondContact OD1-N 2.84Å; D190-G193 WeakPolarHBondContact O-CA 3.42Å; D190-G193 PolarHBondContact O-N 3.41Å; D190-G193 PolarHBondContact OD1-N 3.36Å; D190-N194 PolarHBondContact N-O 2.98Å; D190-N194 VanDerWaalsContact N-O 3.14Å; D190-N194 PolarHBondContact OD1-N 2.96Å; D190-N194 PolarHBondContact OD1-ND2 2.79Å; D190-N194 WeakPolarHBondContact OD2-CB 3.23Å; D190-N194 PolarHBondContact OD2-ND2 3.37Å
191D95.4Very high94.7Very high49 Ų4931 Ų3126%0.26216%0.164SC..THydrogen-bonded Turntrans-65.5-22.1179-86.3-18.6000113.6R125 E167 A168 T170 G193 T216R125-D191 IonicContact CZ-OD1 3.37Å; R125-D191 IonicContact NH1-OD1 3.63Å; R125-D191 IonicContact NH2-OD1 3.21Å; R125-D191 PolarHBondContact NH2-OD1 2.93Å; R125-D191 IonicContact NH2-OD2 3.42Å; R125-D191 PolarHBondContact NH2-OD2 2.98Å; E167-D191 HydrophobicContact CB-CB 4.32Å; A168-D191 PolarHBondContact O-N 3.38Å; T170-D191 HydrophobicContact CG2-CB 4.4Å; T170-D191 WeakPolarHBondContact CG2-OD1 3.4Å; D191-G193 PolarHBondContact O-N 3.02Å; D191-T216 VanDerWaalsContact O-CA 3.23Å; D191-T216 WeakPolarHBondContact O-CA 3.12Å; D191-T216 WeakPolarHBondContact O-CB 3.4Å; D191-T216 PolarHBondContact O-OG1 3.2Å
192G95.6Very high95.5Very high11 Ų1130.6 Ų30.611%0.11316%0.163CC..THydrogen-bonded Turntrans-79.7-5170.700000113.5D190 N194 D214D190-G192 PolarHBondContact O-N 2.99Å; D190-G192 VanDerWaalsContact OD1-C 3.31Å; D190-G192 VanDerWaalsContact OD1-CA 3.3Å; D190-G192 WeakPolarHBondContact OD1-CA 3.45Å; D190-G192 PolarHBondContact OD1-N 2.84Å; G192-N194 VanDerWaalsContact C-N 3.31Å; G192-D214 WeakPolarHBondContact O-CA 3.5Å; G192-D214 PolarHBondContact O-N 3.19Å
193G95.8Very high96.1Very high0 Ų035.2 Ų35.20%019%0.185CC..  trans83.50.4-177.800000115D190 D191 G212 M215D190-G193 WeakPolarHBondContact O-CA 3.42Å; D190-G193 PolarHBondContact O-N 3.41Å; D190-G193 PolarHBondContact OD1-N 3.36Å; D191-G193 PolarHBondContact O-N 3.02Å; G193-G212 WeakPolarHBondContact O-CA 3.36Å; G193-G212 PolarHBondContact O-N 3.42Å; G193-M215 WeakPolarHBondContact CA-O 3.32Å
194N97.5Very high96.5Very high57 Ų5730.7 Ų30.731%0.30516%0.161SC..  trans-70.2142.7179.8-52.8-66.3000109.3H165 A189 D190 G192 I210 G212H165-N194 PolarHBondContact CE1-O 3.14Å; H165-N194 VanDerWaalsContact CE1-O 3.26Å; A189-N194 WeakPolarHBondContact CA-O 3.43Å; D190-N194 PolarHBondContact N-O 2.98Å; D190-N194 VanDerWaalsContact N-O 3.14Å; D190-N194 PolarHBondContact OD1-N 2.96Å; D190-N194 PolarHBondContact OD1-ND2 2.79Å; D190-N194 WeakPolarHBondContact OD2-CB 3.23Å; D190-N194 PolarHBondContact OD2-ND2 3.37Å; G192-N194 VanDerWaalsContact C-N 3.31Å; N194-I210 WeakPolarHBondContact CA-O 3.19Å; N194-G212 PolarHBondContact OD1-N 3.21Å
195L98.6Very high96.7Very high1 Ų136 Ų361%0.00519%0.185CC..EExtended strand (participates in β ladder)trans-115.4130.6175.2-44.8173.9000108.3V187 T188 A189 K209 I210 C217 V227 A229 Y239V187-L195 HydrophobicContact CG2-CB 4.31Å; T188-L195 CarbonylContact O-C 3.56Å; T188-L195 VanDerWaalsContact O-CA 3.25Å; T188-L195 WeakPolarHBondContact O-CA 3.48Å; A189-L195 HydrophobicContact CB-CD2 3.55Å; L195-K209 CarbonylContact O-C 3.57Å; L195-K209 WeakPolarHBondContact O-CA 3.33Å; L195-I210 HydrophobicContact CB-CB 4.14Å; L195-I210 HydrophobicContact CD1-CB 4.44Å; L195-I210 PolarHBondContact N-O 3.43Å; L195-I210 PolarHBondContact O-N 2.82Å; L195-C217 HydrophobicContact CD2-CB 4.11Å; L195-V227 HydrophobicContact CD1-CG1 3.82Å; L195-A229 HydrophobicContact CD1-CB 3.88Å; L195-Y239 HydrophobicContact CD1-CD2 4.1Å; L195-Y239 HydrophobicContact CD1-CE2 4.05Å
196C98.7Very high96.8Very high3 Ų337.5 Ų37.52%0.0219%0.193CC..EExtended strand (participates in β ladder)trans-106.8131.4166.2-63.70000108.5H165 V187 T188 W198 L206H165-C196 VanDerWaalsContact CE1-SG 3.59Å; H165-C196 WeakPolarHBondContact NE2-CB 3.43Å; H165-C196 PolarHBondContact NE2-SG 2.9Å; H165-C196 VanDerWaalsContact NE2-SG 3.38Å; V187-C196 WeakPolarHBondContact CA-O 3.14Å; T188-C196 PolarHBondContact N-O 3.37Å; T188-C196 PolarHBondContact O-N 3.34Å; T188-C196 WeakPolarHBondContact OG1-CB 3.33Å; T188-C196 PolarHBondContact OG1-O 2.84Å; C196-W198 HydrophobicContact CB-CZ2 3.55Å; C196-W198 VanDerWaalsContact O-CD1 3.24Å; C196-W198 PolarHBondContact O-NE1 3.25Å; C196-W198 VanDerWaalsContact O-NE1 3.15Å; C196-L206 HydrophobicContact CB-CD1 3.68Å
197V98.7Very high96.8Very high0 Ų040.3 Ų40.30%021%0.207CC..EExtended strand (participates in β ladder)trans-109.2133.1179.6-179.60000108.5A184 V187 L207 N208 I210 V227 A241A184-V197 HydrophobicContact CB-CG1 3.37Å; V187-V197 HydrophobicContact CG2-CG2 4.24Å; V197-L207 HydrophobicContact CG1-CB 4.49Å; V197-L207 PolarHBondContact O-N 2.81Å; V197-N208 HydrophobicContact CB-CB 4.25Å; V197-N208 PolarHBondContact N-O 2.77Å; V197-N208 PolarHBondContact O-N 3.02Å; V197-I210 HydrophobicContact CG2-CD1 4.23Å; V197-V227 HydrophobicContact CG2-CG2 4.03Å; V197-A241 HydrophobicContact CG1-CB 3.93Å; V197-A241 WeakPolarHBondContact CG1-O 3.32Å
198W98.5Very high96.8Very high7 Ų742 Ų423%0.02722%0.216CC..EExtended strand (participates in β ladder)trans-131.4155.9-169.5-43.480.5000112.3L162 E164 A184 N185 L186 T188 C196 F204 Q205 L206L162-W198 HydrophobicContact CB-CH2 3.62Å; L162-W198 HydrophobicContact CB-CZ2 4.19Å; L162-W198 HydrophobicContact CB-CZ3 4.04Å; L162-W198 HydrophobicContact CD1-CD2 4.15Å; L162-W198 HydrophobicContact CD1-CE3 4.04Å; L162-W198 HydrophobicContact CD1-CH2 4.05Å; L162-W198 HydrophobicContact CD1-CZ2 4.22Å; L162-W198 HydrophobicContact CD1-CZ3 3.99Å; L162-W198 HydrophobicContact CD2-CZ3 4.36Å; L162-W198 HydrophobicContact CG-CH2 4.34Å; L162-W198 HydrophobicContact CG-CZ3 4.35Å; E164-W198 HydrophobicContact CB-CH2 3.66Å; E164-W198 HydrophobicContact CB-CZ2 3.96Å; E164-W198 HydrophobicContact CG-CH2 3.26Å; E164-W198 HydrophobicContact CG-CZ2 4.06Å; E164-W198 HydrophobicContact CG-CZ3 3.97Å; A184-W198 WeakPolarHBondContact CA-O 3.16Å; N185-W198 PolarHBondContact N-O 3.09Å; N185-W198 PolarHBondContact OD1-O 2.78Å; L186-W198 HydrophobicContact CB-CB 4.12Å; L186-W198 HydrophobicContact CD2-CB 4.35Å; L186-W198 HydrophobicContact CD2-CG 4.28Å; L186-W198 PolarHBondContact N-O 3.28Å; L186-W198 PolarHBondContact O-N 3Å; T188-W198 PolarHBondContact OG1-NE1 3.39Å; C196-W198 HydrophobicContact CB-CZ2 3.55Å; C196-W198 VanDerWaalsContact O-CD1 3.24Å; C196-W198 PolarHBondContact O-NE1 3.25Å; C196-W198 VanDerWaalsContact O-NE1 3.15Å; W198-F204 HydrophobicContact CB-CD1 4.47Å; W198-Q205 CarbonylContact C-O 3.57Å; W198-Q205 VanDerWaalsContact CA-O 3.26Å; W198-Q205 WeakPolarHBondContact CA-O 3.34Å; W198-L206 HydrophobicContact CD2-CD1 4.04Å; W198-L206 HydrophobicContact CE3-CB 3.86Å; W198-L206 HydrophobicContact CE3-CD1 4.02Å; W198-L206 HydrophobicContact CH2-CD1 4.07Å; W198-L206 HydrophobicContact CZ2-CD1 4.04Å; W198-L206 HydrophobicContact CZ3-CB 3.8Å; W198-L206 HydrophobicContact CZ3-CD1 4.04Å; W198-L206 HydrophobicContact CZ3-CG 4.5Å
199K97.1Very high96.7Very high85 Ų8546.6 Ų46.637%0.3724%0.237SC..EExtended strand (participates in β ladder)trans-112.5120.1163-179.2175.9-179.3-176.90108.7L183 Q205 L207L183-K199 WeakPolarHBondContact O-CB 3.49Å; L183-K199 VanDerWaalsContact O-CG 3.3Å; L183-K199 WeakPolarHBondContact O-CG 3.24Å; K199-Q205 HydrophobicContact CB-CB 4.45Å; K199-Q205 PolarHBondContact N-O 2.86Å; K199-Q205 PolarHBondContact O-N 2.82Å; K199-L207 HydrophobicContact CB-CD1 3.99Å; K199-L207 HydrophobicContact CB-CD2 4.09Å; K199-L207 HydrophobicContact CB-CG 4.06Å
200S95.1Very high96.7Very high14 Ų1447 Ų4710%0.09824%0.238CC..  trans-72.9149.2170.377.80000111.2S131 N185 F204S131-S200 PolarHBondContact OG-OG 2.8Å; N185-S200 PolarHBondContact ND2-OG 3.37Å; N185-S200 PolarHBondContact OD1-N 2.98Å; S200-F204 VanDerWaalsContact CB-CE1 3.47Å; S200-F204 VanDerWaalsContact CB-CZ 3.43Å
201G91.8Very high96.5Very high35 Ų3550.9 Ų50.936%0.36126%0.264SS..SBendtrans-164.4-145.9173.700000110.8Y134 E203Y134-G201 PolarHBondContact OH-O 3.2Å; G201-E203 PolarHBondContact N-O 2.76Å
202E89.8Confident95.7Very high193 Ų19348.6 Ų48.690%0.90225%0.251SS*.SBendtrans-60.2-35.7163.2-67.4-175.9168.300110.9
203E94.8Very high95.2Very high143 Ų14354 Ų5467%0.66828%0.278SS*.SBendtrans-129.3145.3169.5-64.6178.8170.600108.5G201 Q205G201-E203 PolarHBondContact N-O 2.76Å; E203-Q205 PolarHBondContact O-N 2.69Å
204F97.5Very high94.8Very high14 Ų1461.2 Ų61.26%0.06132%0.316CS..PPolyproline II helixtrans-75.2122.9174.8-83.4-108.9000110.4V130 Y134 V146 E160 L162 L186 W198 S200V130-F204 HydrophobicContact CG1-CE1 4.21Å; V130-F204 HydrophobicContact CG1-CZ 4.34Å; Y134-F204 AromaticContact CD2-CE2 3.95Å; Y134-F204 HydrophobicContact CD2-CE2 3.95Å; Y134-F204 HydrophobicContact CD2-CZ 4.05Å; Y134-F204 HydrophobicContact CE2-CE2 4.2Å; Y134-F204 HydrophobicContact CG-CE2 4.16Å; Y134-F204 HydrophobicContact CG-CZ 4.24Å; V146-F204 HydrophobicContact CG1-CD2 4.14Å; V146-F204 HydrophobicContact CG1-CE2 3.51Å; V146-F204 HydrophobicContact CG1-CZ 3.96Å; V146-F204 HydrophobicContact CG2-CD2 4.33Å; V146-F204 HydrophobicContact CG2-CE2 4.33Å; E160-F204 WeakPolarHBondContact OE2-CD2 3.46Å; E160-F204 PolarHBondContact OE2-N 3.37Å; L162-F204 HydrophobicContact CD1-CB 4.08Å; L162-F204 HydrophobicContact CD1-CD1 4.11Å; L162-F204 HydrophobicContact CD1-CG 4.21Å; L162-F204 HydrophobicContact CD2-CB 3.64Å; L162-F204 HydrophobicContact CD2-CG 4.3Å; L186-F204 HydrophobicContact CD2-CD1 3.94Å; L186-F204 HydrophobicContact CD2-CE1 3.62Å; W198-F204 HydrophobicContact CB-CD1 4.47Å; S200-F204 VanDerWaalsContact CB-CE1 3.47Å; S200-F204 VanDerWaalsContact CB-CZ 3.43Å
205Q97.9Very high94.6Very high114 Ų11460.5 Ų60.553%0.53331%0.311SS..EExtended strand (participates in β ladder)trans-102.1122.1179.9-64.8-177.9-6.600110.1W198 K199 E203 L207W198-Q205 CarbonylContact C-O 3.57Å; W198-Q205 VanDerWaalsContact CA-O 3.26Å; W198-Q205 WeakPolarHBondContact CA-O 3.34Å; K199-Q205 HydrophobicContact CB-CB 4.45Å; K199-Q205 PolarHBondContact N-O 2.86Å; K199-Q205 PolarHBondContact O-N 2.82Å; E203-Q205 PolarHBondContact O-N 2.69Å; Q205-L207 PolarHBondContact O-N 2.88Å
206L98.4Very high94.4Very high60 Ų6061.9 Ų61.931%0.31432%0.32SS..EExtended strand (participates in β ladder)trans-68118.6168.4-178.372.5000109.1E164 C196 W198 N208 K209E164-L206 HydrophobicContact CG-CD2 4.1Å; C196-L206 HydrophobicContact CB-CD1 3.68Å; W198-L206 HydrophobicContact CD2-CD1 4.04Å; W198-L206 HydrophobicContact CE3-CB 3.86Å; W198-L206 HydrophobicContact CE3-CD1 4.02Å; W198-L206 HydrophobicContact CH2-CD1 4.07Å; W198-L206 HydrophobicContact CZ2-CD1 4.04Å; W198-L206 HydrophobicContact CZ3-CB 3.8Å; W198-L206 HydrophobicContact CZ3-CD1 4.04Å; W198-L206 HydrophobicContact CZ3-CG 4.5Å; L206-N208 WeakPolarHBondContact CD1-O 3.48Å; L206-K209 HydrophobicContact CD1-CG 4.28Å; L206-K209 HydrophobicContact CD2-CD 4.25Å; L206-K209 HydrophobicContact CD2-CG 3.95Å
207L98.2Very high94.3Very high59 Ų5961.8 Ų61.831%0.30932%0.319SS..EExtended strand (participates in β ladder)trans-91.5-41.6176.8-62.7-178.7000111.8L183 A184 V197 K199 Q205L183-L207 HydrophobicContact CB-CD1 4.49Å; A184-L207 HydrophobicContact CB-CD1 3.8Å; V197-L207 HydrophobicContact CG1-CB 4.49Å; V197-L207 PolarHBondContact O-N 2.81Å; K199-L207 HydrophobicContact CB-CD1 3.99Å; K199-L207 HydrophobicContact CB-CD2 4.09Å; K199-L207 HydrophobicContact CB-CG 4.06Å; Q205-L207 PolarHBondContact O-N 2.88Å
208N98Very high94.3Very high36 Ų3661.8 Ų61.819%0.19332%0.319CS..EExtended strand (participates in β ladder)trans-156157.3-174.5-160.713.5000113V197 L206 V242 T243 G244V197-N208 HydrophobicContact CB-CB 4.25Å; V197-N208 PolarHBondContact N-O 2.77Å; V197-N208 PolarHBondContact O-N 3.02Å; L206-N208 WeakPolarHBondContact CD1-O 3.48Å; N208-V242 PolarHBondContact ND2-O 3.27Å; N208-T243 PolarHBondContact ND2-O 3.19Å; N208-G244 WeakPolarHBondContact ND2-CA 3.45Å; N208-G244 PolarHBondContact ND2-N 2.87Å
209K98Very high94.3Very high97 Ų9761.4 Ų61.442%0.42232%0.318SS..EExtended strand (participates in β ladder)trans-124.5122.8169.2-63.5-165.5179.3-165.60110E164 L195 L206E164-K209 PolarHBondContact O-NZ 2.85Å; E164-K209 WeakPolarHBondContact OE2-CE 3.23Å; E164-K209 IonicContact OE2-NZ 2.61Å; E164-K209 PolarHBondContact OE2-NZ 2.81Å; L195-K209 CarbonylContact O-C 3.57Å; L195-K209 WeakPolarHBondContact O-CA 3.33Å; L206-K209 HydrophobicContact CD1-CG 4.28Å; L206-K209 HydrophobicContact CD2-CD 4.25Å; L206-K209 HydrophobicContact CD2-CG 3.95Å
210I97.8Very high94.3Very high7 Ų757.4 Ų57.44%0.03630%0.3CS..EExtended strand (participates in β ladder)trans-109.9114.4179.9-52.3173.2000107.8N194 L195 V197 Y239N194-I210 WeakPolarHBondContact CA-O 3.19Å; L195-I210 HydrophobicContact CB-CB 4.14Å; L195-I210 HydrophobicContact CD1-CB 4.44Å; L195-I210 PolarHBondContact N-O 3.43Å; L195-I210 PolarHBondContact O-N 2.82Å; V197-I210 HydrophobicContact CG2-CD1 4.23Å; I210-Y239 HydrophobicContact CD1-CD1 4.37Å; I210-Y239 HydrophobicContact CD1-CG 4Å; I210-Y239 HydrophobicContact CG2-CD1 3.76Å; I210-Y239 HydrophobicContact CG2-CD2 4.45Å; I210-Y239 HydrophobicContact CG2-CE1 3.59Å; I210-Y239 HydrophobicContact CG2-CE2 4.32Å; I210-Y239 HydrophobicContact CG2-CG 4.18Å
211P93.7Very high94.5Very high84 Ų8457.7 Ų57.755%0.54530%0.3SS..  trans-72.5134.2-177.527.5-32.7000111.8L213P211-L213 VanDerWaalsContact C-N 3.33Å; P211-L213 PolarHBondContact O-N 2.85Å
212G78.3Confident94.8Very high0 Ų056.1 Ų56.10%028%0.283CS..  trans-81.1-6.9-178.200000116.1G193 N194 D214 M215G193-G212 WeakPolarHBondContact O-CA 3.36Å; G193-G212 PolarHBondContact O-N 3.42Å; N194-G212 PolarHBondContact OD1-N 3.21Å; G212-D214 VanDerWaalsContact C-N 3.28Å; G212-D214 PolarHBondContact O-N 2.95Å; G212-M215 WeakPolarHBondContact O-CE 3.18Å; G212-M215 PolarHBondContact O-N 2.97Å
213L84.8Confident95.1Very high126 Ų12647.2 Ų47.266%0.6624%0.241SC*.THydrogen-bonded Turntrans53.543-172.7-53175.5000112.5P211 M215P211-L213 VanDerWaalsContact C-N 3.33Å; P211-L213 PolarHBondContact O-N 2.85Å; L213-M215 HydrophobicContact CB-CE 4Å; L213-M215 PolarHBondContact O-N 3.38Å
214D88.2Confident95.1Very high151 Ų15143.8 Ų43.881%0.80722%0.224SC*.THydrogen-bonded Turntrans59.326.7177.8-54.2-40.2000114.6G192 G212G192-D214 WeakPolarHBondContact O-CA 3.5Å; G192-D214 PolarHBondContact O-N 3.19Å; G212-D214 VanDerWaalsContact C-N 3.28Å; G212-D214 PolarHBondContact O-N 2.95Å
215M92.3Very high94.9Very high41 Ų4143.6 Ų43.620%0.20223%0.226CC..  trans-109.7116.8171.9-68.4173.1-64.900109.4G193 G212 L213 C217 Y231 T233G193-M215 WeakPolarHBondContact CA-O 3.32Å; G212-M215 WeakPolarHBondContact O-CE 3.18Å; G212-M215 PolarHBondContact O-N 2.97Å; L213-M215 HydrophobicContact CB-CE 4Å; L213-M215 PolarHBondContact O-N 3.38Å; M215-C217 PolarHBondContact O-N 3.09Å; M215-Y231 HydrophobicContact CB-CD1 4.06Å; M215-Y231 VanDerWaalsContact O-CD1 3.29Å; M215-Y231 WeakPolarHBondContact O-CD1 3.28Å; M215-T233 HydrophobicContact CB-CG2 4.42Å; M215-T233 HydrophobicContact CG-CG2 3.9Å; M215-T233 HydrophobicContact SD-CG2 3.49Å; M215-T233 WeakPolarHBondContact SD-CG2 3.37Å
216T95.3Very high94.8Very high31 Ų3138.3 Ų38.319%0.1920%0.201CC..  trans-52.4124.7179.4-550000112.2T170 D191 Y231 G232 W256T170-T216 HydrophobicContact CG2-CG2 4.12Å; D191-T216 VanDerWaalsContact O-CA 3.23Å; D191-T216 WeakPolarHBondContact O-CA 3.12Å; D191-T216 WeakPolarHBondContact O-CB 3.4Å; D191-T216 PolarHBondContact O-OG1 3.2Å; T216-Y231 WeakPolarHBondContact O-CA 3.14Å; T216-G232 PolarHBondContact O-N 3.35Å; T216-W256 HydrophobicContact CG2-CZ2 3.69Å
217C97.2Very high94.8Very high0 Ų035.4 Ų35.40%019%0.186CC..EExtended strand (participates in β ladder)trans-92.1103.6171.2177.30000108.1T170 A189 L195 M215 G230 Y231T170-C217 WeakPolarHBondContact CB-O 3.32Å; T170-C217 WeakPolarHBondContact CG2-O 3.5Å; T170-C217 PolarHBondContact OG1-O 3.14Å; A189-C217 HydrophobicContact CB-CB 4.08Å; L195-C217 HydrophobicContact CD2-CB 4.11Å; M215-C217 PolarHBondContact O-N 3.09Å; C217-G230 CarbonylContact C-O 3.53Å; C217-G230 WeakPolarHBondContact CA-O 3.39Å; C217-Y231 HydrophobicContact CB-CD1 4.05Å; C217-Y231 HydrophobicContact CB-CE1 3.75Å
218S96.9Very high94.8Very high0 Ų032.6 Ų32.60%017%0.172CC..EExtended strand (participates in β ladder)trans-86.4-21-173.733.80000114.2N19 G230 W256 I257N19-S218 PolarHBondContact ND2-O 3.2Å; S218-G230 PolarHBondContact N-O 3.14Å; S218-G230 PolarHBondContact OG-O 2.87Å; S218-W256 VanDerWaalsContact CB-NE1 3.32Å; S218-W256 PolarHBondContact OG-NE1 3.42Å; S218-W256 VanDerWaalsContact OG-NE1 3.08Å; S218-I257 VanDerWaalsContact CB-O 3.31Å; S218-I257 WeakPolarHBondContact CB-O 3.45Å; S218-I257 PolarHBondContact OG-O 3.08Å
219S98.4Very high94.8Very high0 Ų030.9 Ų30.90%016%0.162CC..EExtended strand (participates in β ladder)trans-150.6142.7172.5-172.70000112N19 D171 G230 L260N19-S219 PolarHBondContact ND2-OG 3.34Å; N19-S219 PolarHBondContact OD1-OG 3.42Å; D171-S219 VanDerWaalsContact OD2-CA 3.23Å; D171-S219 WeakPolarHBondContact OD2-CA 3.25Å; D171-S219 PolarHBondContact OD2-OG 3.19Å; S219-G230 PolarHBondContact N-O 2.93Å; S219-G230 PolarHBondContact O-N 3.31Å; S219-L260 PolarHBondContact OG-N 3.37Å
220V98.6Very high94.8Very high0 Ų026.3 Ų26.30%014%0.142CC..EExtended strand (participates in β ladder)trans-131.9148.5179.772.80000110.8D171 A173 V187 A189 V227 L228D171-V220 HydrophobicContact CB-CG1 4.13Å; D171-V220 PolarHBondContact OD2-N 3.35Å; A173-V220 HydrophobicContact CB-CG1 4.16Å; A173-V220 VanDerWaalsContact CB-O 3.32Å; A173-V220 WeakPolarHBondContact CB-O 3.26Å; V187-V220 HydrophobicContact CB-CG2 4.39Å; V187-V220 HydrophobicContact CG1-CB 4.39Å; V187-V220 HydrophobicContact CG1-CG1 3.93Å; V187-V220 HydrophobicContact CG1-CG2 3.57Å; V187-V220 HydrophobicContact CG2-CG2 3.87Å; A189-V220 HydrophobicContact CB-CB 4.23Å; A189-V220 HydrophobicContact CB-CG1 4.16Å; V220-V227 HydrophobicContact CG2-CG1 3.66Å; V220-L228 CarbonylContact C-O 3.55Å; V220-L228 VanDerWaalsContact CA-O 3.29Å; V220-L228 WeakPolarHBondContact CA-O 3.47Å
221K98.5Very high94.8Very high21 Ų2126 Ų269%0.09114%0.141CC..EExtended strand (participates in β ladder)trans-136.5154.7169.2-66.1-67.9163.7-82.10110.1D171 A173 V227 L228 L260 I262D171-K221 IonicContact OD2-NZ 3.91Å; D171-K221 PolarHBondContact OD2-NZ 2.98Å; A173-K221 HydrophobicContact CB-CD 4.26Å; K221-V227 WeakPolarHBondContact O-CA 3.12Å; K221-L228 HydrophobicContact CB-CB 4.26Å; K221-L228 HydrophobicContact CB-CD1 4.07Å; K221-L228 HydrophobicContact CB-CG 4.32Å; K221-L228 PolarHBondContact N-O 3.34Å; K221-L228 PolarHBondContact O-N 2.92Å; K221-L260 WeakPolarHBondContact CE-O 3.47Å; K221-L260 HydrophobicContact CG-CB 4.24Å; K221-I262 HydrophobicContact CB-CG2 4.44Å
222L97.6Very high94.9Very high1 Ų123 Ų231%0.00513%0.125CC..EExtended strand (participates in β ladder)trans-123.7119174.7-178.358.4000108.5E175 C176 V187 T226 V227 A241E175-L222 HydrophobicContact CB-CD2 3.95Å; E175-L222 HydrophobicContact CB-CG 4.07Å; C176-L222 PolarHBondContact N-O 2.82Å; C176-L222 PolarHBondContact SG-O 2.89Å; V187-L222 HydrophobicContact CG1-CB 3.93Å; L222-T226 WeakPolarHBondContact CA-O 3.38Å; L222-V227 HydrophobicContact CD1-CG2 4Å; L222-A241 HydrophobicContact CD1-CB 4.08Å
223W96.3Very high95.7Very high7 Ų725.8 Ų25.83%0.02714%0.143CC..EExtended strand (participates in β ladder)trans-140.2119.9-178.7179.177.8000110.3G225 T226 L228 I262 P264 G267 L283 I285W223-G225 VanDerWaalsContact C-N 3.29Å; W223-G225 PolarHBondContact O-N 2.97Å; W223-T226 PolarHBondContact N-O 3.47Å; W223-T226 VanDerWaalsContact O-CB 3.3Å; W223-T226 WeakPolarHBondContact O-CB 3.38Å; W223-T226 PolarHBondContact O-N 2.91Å; W223-L228 HydrophobicContact CB-CD1 4.4Å; W223-I262 HydrophobicContact CB-CG1 4.19Å; W223-I262 HydrophobicContact CD2-CD1 4.41Å; W223-I262 HydrophobicContact CD2-CG1 4.47Å; W223-I262 HydrophobicContact CG-CD1 4.31Å; W223-I262 HydrophobicContact CG-CG1 3.95Å; W223-P264 PolarHBondContact NE1-O 3.47Å; W223-G267 VanDerWaalsContact CZ2-CA 3.47Å; W223-L283 HydrophobicContact CE3-CB 4.24Å; W223-L283 HydrophobicContact CE3-CD1 3.96Å; W223-L283 HydrophobicContact CH2-CB 4.08Å; W223-L283 HydrophobicContact CZ3-CB 3.59Å; W223-L283 HydrophobicContact CZ3-CD1 4.18Å; W223-I285 HydrophobicContact CE3-CD1 4.07Å; W223-I285 HydrophobicContact CH2-CD1 4.23Å; W223-I285 HydrophobicContact CH2-CG1 4.28Å; W223-I285 HydrophobicContact CZ3-CD1 3.64Å; W223-I285 HydrophobicContact CZ3-CG1 3.76Å
224K94.3Very high96.3Very high70 Ų7019.8 Ų19.830%0.30411%0.111SC..THydrogen-bonded Turntrans50.446.8-180-62.2-177.3179.4176.60113.2E175 S177 F182 T226 I285E175-K224 PolarHBondContact OE1-N 2.83Å; E175-K224 WeakPolarHBondContact OE2-CA 3.37Å; E175-K224 PolarHBondContact OE2-N 2.93Å; S177-K224 VanDerWaalsContact CB-CG 3.46Å; F182-K224 VanDerWaalsContact CD1-C 3.5Å; F182-K224 HydrophobicContact CE1-CB 4.06Å; F182-K224 WeakPolarHBondContact CE1-O 3.46Å; F182-K224 HydrophobicContact CE2-CB 4.14Å; F182-K224 HydrophobicContact CE2-CG 4.21Å; F182-K224 HydrophobicContact CZ-CB 3.6Å; F182-K224 HydrophobicContact CZ-CG 3.94Å; K224-T226 PolarHBondContact O-N 2.81Å; K224-I285 HydrophobicContact CB-CD1 3.48Å; K224-I285 VanDerWaalsContact CB-CD1 3.48Å; K224-I285 HydrophobicContact CD-CD1 3.82Å; K224-I285 HydrophobicContact CG-CD1 4.27Å
225G93.6Very high96.8Very high10 Ų1013.9 Ų13.910%0.1038%0.079CC..THydrogen-bonded Turntrans71.111.4-17900000114.5E175 W223 A241E175-G225 PolarHBondContact OE2-N 2.81Å; W223-G225 VanDerWaalsContact C-N 3.29Å; W223-G225 PolarHBondContact O-N 2.97Å; G225-A241 WeakPolarHBondContact O-CB 3.49Å; G225-A241 PolarHBondContact O-N 2.98Å
226T96.1Very high97.1Very high3 Ų312 Ų122%0.0187%0.069CC..EExtended strand (participates in β ladder)trans-109.3124.9174.8-50.30000110.2L222 W223 K224 L228 L238 Y239 V292L222-T226 WeakPolarHBondContact CA-O 3.38Å; W223-T226 PolarHBondContact N-O 3.47Å; W223-T226 VanDerWaalsContact O-CB 3.3Å; W223-T226 WeakPolarHBondContact O-CB 3.38Å; W223-T226 PolarHBondContact O-N 2.91Å; K224-T226 PolarHBondContact O-N 2.81Å; T226-L228 HydrophobicContact CG2-CD2 3.81Å; T226-L238 HydrophobicContact CG2-CB 4.24Å; T226-Y239 CarbonylContact C-O 3.58Å; T226-Y239 WeakPolarHBondContact CA-O 3.41Å; T226-Y239 WeakPolarHBondContact CG2-O 3.5Å; T226-V292 HydrophobicContact CG2-CB 4.43Å; T226-V292 HydrophobicContact CG2-CG1 4.31Å; T226-V292 HydrophobicContact CG2-CG2 3.95Å; T226-V292 WeakPolarHBondContact OG1-CG2 3.4Å
227V98Very high97.2Very high0 Ų011.2 Ų11.20%06%0.063CC..EExtended strand (participates in β ladder)trans-82.5122.3171.3177.80000108.9V187 L195 V197 V220 K221 L222 L238 Y239 A241V187-V227 HydrophobicContact CB-CG2 4.34Å; V187-V227 HydrophobicContact CG2-CG1 3.91Å; V187-V227 HydrophobicContact CG2-CG2 4.06Å; L195-V227 HydrophobicContact CD1-CG1 3.82Å; V197-V227 HydrophobicContact CG2-CG2 4.03Å; V220-V227 HydrophobicContact CG2-CG1 3.66Å; K221-V227 WeakPolarHBondContact O-CA 3.12Å; L222-V227 HydrophobicContact CD1-CG2 4Å; V227-L238 WeakPolarHBondContact O-CA 3.13Å; V227-Y239 PolarHBondContact N-O 2.91Å; V227-Y239 PolarHBondContact O-N 3.31Å; V227-A241 HydrophobicContact CG2-CB 3.93Å
228L98.4Very high97.2Very high0 Ų011.2 Ų11.20%06%0.063CC..EExtended strand (participates in β ladder)trans-104.4109.1175-34.4175.7000107.4V220 K221 W223 T226 L238 I262 L269 L283V220-L228 CarbonylContact C-O 3.55Å; V220-L228 VanDerWaalsContact CA-O 3.29Å; V220-L228 WeakPolarHBondContact CA-O 3.47Å; K221-L228 HydrophobicContact CB-CB 4.26Å; K221-L228 HydrophobicContact CB-CD1 4.07Å; K221-L228 HydrophobicContact CB-CG 4.32Å; K221-L228 PolarHBondContact N-O 3.34Å; K221-L228 PolarHBondContact O-N 2.92Å; W223-L228 HydrophobicContact CB-CD1 4.4Å; T226-L228 HydrophobicContact CG2-CD2 3.81Å; L228-L238 HydrophobicContact CB-CD2 4.11Å; L228-L238 HydrophobicContact CD2-CD2 3.45Å; L228-L238 VanDerWaalsContact CD2-CD2 3.45Å; L228-L238 HydrophobicContact CG-CD2 4.37Å; L228-I262 HydrophobicContact CD1-CB 4.48Å; L228-I262 HydrophobicContact CD1-CD1 3.98Å; L228-L269 HydrophobicContact CD1-CD1 3.8Å; L228-L283 HydrophobicContact CD1-CD1 3.6Å; L228-L283 HydrophobicContact CD2-CD1 3.67Å; L228-L283 HydrophobicContact CG-CD1 4.33Å
229A98.4Very high97.2Very high0 Ų011.8 Ų11.80%07%0.065CC..EExtended strand (participates in β ladder)trans-115.3128.3-175.200000111.2L195 Y231 I236 R237 Y239L195-A229 HydrophobicContact CD1-CB 3.88Å; A229-Y231 HydrophobicContact CB-CD2 4.47Å; A229-Y231 HydrophobicContact CB-CE2 3.54Å; A229-I236 CarbonylContact O-C 3.59Å; A229-I236 WeakPolarHBondContact O-CA 3.4Å; A229-R237 PolarHBondContact N-O 2.86Å; A229-R237 PolarHBondContact O-N 3.31Å; A229-Y239 HydrophobicContact CB-CE2 4.34Å
230G98.2Very high97.1Very high0 Ų013.1 Ų13.10%07%0.072CC..EExtended strand (participates in β ladder)trans-108.2130.2178.300000110.9C217 S218 S219C217-G230 CarbonylContact C-O 3.53Å; C217-G230 WeakPolarHBondContact CA-O 3.39Å; S218-G230 PolarHBondContact N-O 3.14Å; S218-G230 PolarHBondContact OG-O 2.87Å; S219-G230 PolarHBondContact N-O 2.93Å; S219-G230 PolarHBondContact O-N 3.31Å
231Y97.6Very high96.9Very high0 Ų013.1 Ų13.10%07%0.072CC..EExtended strand (participates in β ladder)trans-114.1160.2-169.6-67.8-90.3000113.5M215 T216 C217 A229 T233 G234 Q235 R237 Y239 I257M215-Y231 HydrophobicContact CB-CD1 4.06Å; M215-Y231 VanDerWaalsContact O-CD1 3.29Å; M215-Y231 WeakPolarHBondContact O-CD1 3.28Å; T216-Y231 WeakPolarHBondContact O-CA 3.14Å; C217-Y231 HydrophobicContact CB-CD1 4.05Å; C217-Y231 HydrophobicContact CB-CE1 3.75Å; A229-Y231 HydrophobicContact CB-CD2 4.47Å; A229-Y231 HydrophobicContact CB-CE2 3.54Å; Y231-T233 PolarHBondContact O-N 2.7Å; Y231-G234 PolarHBondContact O-N 3.27Å; Y231-Q235 PolarHBondContact N-O 2.8Å; Y231-R237 HydrophobicContact CD2-CG 4.12Å; Y231-R237 HydrophobicContact CE2-CB 3.84Å; Y231-R237 HydrophobicContact CE2-CG 3.73Å; Y231-Y239 PolarHBondContact OH-OH 2.96Å; Y231-I257 PolarHBondContact O-N 2.85Å
232G95.7Very high96.8Very high22 Ų2214.8 Ų14.823%0.2278%0.083CC..THydrogen-bonded Turntrans-62-19.117300000114.9T216 G234 W256T216-G232 PolarHBondContact O-N 3.35Å; G232-G234 PolarHBondContact O-N 2.94Å; G232-W256 VanDerWaalsContact CA-CD1 3.45Å; G232-W256 VanDerWaalsContact CA-CD2 3.5Å; G232-W256 VanDerWaalsContact CA-CE2 3.45Å; G232-W256 VanDerWaalsContact CA-CG 3.49Å; G232-W256 WeakPolarHBondContact O-CA 3.43Å
233T95.9Very high96.6Very high59 Ų5918.6 Ų18.636%0.36211%0.106SC..THydrogen-bonded Turntrans-75.8-6.2173.857.40000114M215 Y231 Q235M215-T233 HydrophobicContact CB-CG2 4.42Å; M215-T233 HydrophobicContact CG-CG2 3.9Å; M215-T233 HydrophobicContact SD-CG2 3.49Å; M215-T233 WeakPolarHBondContact SD-CG2 3.37Å; Y231-T233 PolarHBondContact O-N 2.7Å; T233-Q235 VanDerWaalsContact C-N 3.31Å; T233-Q235 PolarHBondContact OG1-NE2 3.33Å
234G97.3Very high96.6Very high0 Ų019.1 Ų19.10%011%0.114CC..SBendtrans85.13.9-172.500000113.8Y231 G232 A252 H253 R255Y231-G234 PolarHBondContact O-N 3.27Å; G232-G234 PolarHBondContact O-N 2.94Å; G234-A252 PolarHBondContact O-N 3.32Å; G234-A252 VanDerWaalsContact O-N 3.14Å; G234-H253 WeakPolarHBondContact CA-O 3.33Å; G234-H253 PolarHBondContact O-N 3.22Å; G234-R255 WeakPolarHBondContact CA-O 3.34Å
235Q97.8Very high96.6Very high27 Ų2720.6 Ų20.613%0.12612%0.124CC..EExtended strand (participates in β ladder)trans-88.4144.4179.9-66.8172.451.200112.2Y231 T233 E249 V250 N251 I257Y231-Q235 PolarHBondContact N-O 2.8Å; T233-Q235 VanDerWaalsContact C-N 3.31Å; T233-Q235 PolarHBondContact OG1-NE2 3.33Å; Q235-E249 VanDerWaalsContact OE1-CG 3.3Å; Q235-E249 PolarHBondContact OE1-OE1 3.35Å; Q235-E249 PolarHBondContact OE1-OE2 3.09Å; Q235-E249 VanDerWaalsContact OE1-OE2 3.13Å; Q235-V250 CarbonylContact C-O 3.58Å; Q235-V250 VanDerWaalsContact CA-O 3.23Å; Q235-V250 WeakPolarHBondContact CA-O 3.3Å; Q235-N251 WeakPolarHBondContact CG-OD1 3.4Å; Q235-I257 WeakPolarHBondContact O-CD1 3.39Å
236I98.3Very high96.7Very high0 Ų024 Ų240%014%0.14CC..EExtended strand (participates in β ladder)trans-105.7131.4163.8-62171.5000107.4A229 L238 E249 V250 A252 I257 L260 L269 W281 I294A229-I236 CarbonylContact O-C 3.59Å; A229-I236 WeakPolarHBondContact O-CA 3.4Å; I236-L238 HydrophobicContact CG2-CD2 3.99Å; I236-E249 WeakPolarHBondContact O-CA 3.49Å; I236-V250 PolarHBondContact N-O 3.37Å; I236-V250 PolarHBondContact O-N 3.33Å; I236-A252 HydrophobicContact CB-CB 4.35Å; I236-A252 HydrophobicContact CD1-CB 3.49Å; I236-A252 VanDerWaalsContact CD1-CB 3.49Å; I236-A252 HydrophobicContact CG1-CB 3.63Å; I236-I257 HydrophobicContact CD1-CD1 4.37Å; I236-I257 HydrophobicContact CG1-CD1 3.54Å; I236-L260 HydrophobicContact CD1-CD2 4.19Å; I236-L260 HydrophobicContact CG1-CD2 4.36Å; I236-L269 HydrophobicContact CD1-CD2 4.19Å; I236-L269 HydrophobicContact CG2-CD2 4.21Å; I236-W281 HydrophobicContact CD1-CZ2 4.48Å; I236-I294 HydrophobicContact CG2-CD1 4.41Å
237R97.9Very high96.7Very high15 Ų1526.8 Ų26.86%0.05715%0.152CC..EExtended strand (participates in β ladder)trans-120.8138.3173.5-59.8-177.3173.9163.2-9.2111A229 Y231 Y239 L246 A248 E249A229-R237 PolarHBondContact N-O 2.86Å; A229-R237 PolarHBondContact O-N 3.31Å; Y231-R237 HydrophobicContact CD2-CG 4.12Å; Y231-R237 HydrophobicContact CE2-CB 3.84Å; Y231-R237 HydrophobicContact CE2-CG 3.73Å; R237-Y239 HydrophobicContact CB-CD2 4.24Å; R237-Y239 HydrophobicContact CB-CE2 3.48Å; R237-Y239 VanDerWaalsContact CB-CE2 3.48Å; R237-Y239 WeakPolarHBondContact CD-OH 3.34Å; R237-L246 HydrophobicContact CB-CD1 3.83Å; R237-L246 HydrophobicContact CG-CD1 4.27Å; R237-A248 WeakPolarHBondContact CA-O 3.41Å; R237-E249 HydrophobicContact CG-CB 4.39Å; R237-E249 HydrophobicContact CG-CG 4.1Å; R237-E249 IonicContact CZ-OE2 2.75Å; R237-E249 IonicContact NE-OE2 3.99Å; R237-E249 PolarHBondContact NE-OE2 2.82Å; R237-E249 IonicContact NH2-OE2 3.8Å; R237-E249 PolarHBondContact NH2-OE2 3.14Å
238L97.9Very high96.6Very high0 Ų027.8 Ų27.80%016%0.161CC..EExtended strand (participates in β ladder)trans-111.7119.6179-54.2-168.2000109T226 V227 L228 I236 H247 A248 L283 V292 I294T226-L238 HydrophobicContact CG2-CB 4.24Å; V227-L238 WeakPolarHBondContact O-CA 3.13Å; L228-L238 HydrophobicContact CB-CD2 4.11Å; L228-L238 HydrophobicContact CD2-CD2 3.45Å; L228-L238 VanDerWaalsContact CD2-CD2 3.45Å; L228-L238 HydrophobicContact CG-CD2 4.37Å; I236-L238 HydrophobicContact CG2-CD2 3.99Å; L238-H247 HydrophobicContact CB-CB 4.4Å; L238-H247 PolarHBondContact O-N 2.81Å; L238-A248 HydrophobicContact CB-CB 4.25Å; L238-A248 HydrophobicContact CD1-CB 4.13Å; L238-A248 HydrophobicContact CG-CB 4.18Å; L238-A248 PolarHBondContact N-O 3Å; L238-A248 PolarHBondContact O-N 3Å; L238-L283 HydrophobicContact CD1-CD2 3.95Å; L238-V292 HydrophobicContact CD1-CB 4.45Å; L238-V292 HydrophobicContact CD1-CG1 3.81Å; L238-I294 HydrophobicContact CD1-CB 3.97Å; L238-I294 HydrophobicContact CD1-CG2 4.03Å
239Y96.9Very high96.5Very high13 Ų1332.4 Ų32.45%0.05118%0.182CC..EExtended strand (participates in β ladder)trans-117.8142.7177.7-56.1-89.9000110.7L195 I210 T226 V227 A229 Y231 R237 A241 I245 L246L195-Y239 HydrophobicContact CD1-CD2 4.1Å; L195-Y239 HydrophobicContact CD1-CE2 4.05Å; I210-Y239 HydrophobicContact CD1-CD1 4.37Å; I210-Y239 HydrophobicContact CD1-CG 4Å; I210-Y239 HydrophobicContact CG2-CD1 3.76Å; I210-Y239 HydrophobicContact CG2-CD2 4.45Å; I210-Y239 HydrophobicContact CG2-CE1 3.59Å; I210-Y239 HydrophobicContact CG2-CE2 4.32Å; I210-Y239 HydrophobicContact CG2-CG 4.18Å; T226-Y239 CarbonylContact C-O 3.58Å; T226-Y239 WeakPolarHBondContact CA-O 3.41Å; T226-Y239 WeakPolarHBondContact CG2-O 3.5Å; V227-Y239 PolarHBondContact N-O 2.91Å; V227-Y239 PolarHBondContact O-N 3.31Å; A229-Y239 HydrophobicContact CB-CE2 4.34Å; Y231-Y239 PolarHBondContact OH-OH 2.96Å; R237-Y239 HydrophobicContact CB-CD2 4.24Å; R237-Y239 HydrophobicContact CB-CE2 3.48Å; R237-Y239 VanDerWaalsContact CB-CE2 3.48Å; R237-Y239 WeakPolarHBondContact CD-OH 3.34Å; Y239-A241 PolarHBondContact O-N 3.43Å; Y239-I245 CarbonylContact C-O 3.59Å; Y239-I245 VanDerWaalsContact CA-O 3.29Å; Y239-I245 WeakPolarHBondContact CA-O 3.41Å; Y239-L246 HydrophobicContact CD1-CB 4.02Å; Y239-L246 HydrophobicContact CD1-CD1 3.92Å; Y239-L246 HydrophobicContact CE1-CB 3.96Å; Y239-L246 HydrophobicContact CE1-CD1 3.56Å; Y239-L246 HydrophobicContact CE1-CG 4.33Å; Y239-L246 HydrophobicContact CE2-CD1 4.41Å; Y239-L246 HydrophobicContact CG-CD1 4.5Å
240E95.5Very high96.4Very high28 Ų2833.8 Ų33.813%0.13119%0.191CC..EExtended strand (participates in β ladder)trans-68.2128.1161.5-162.3-77.7149.400108.6V242 T243 G244 I245 H247E240-V242 PolarHBondContact O-N 2.85Å; E240-V242 PolarHBondContact OE1-N 2.88Å; E240-V242 PolarHBondContact OE2-N 2.87Å; E240-T243 WeakPolarHBondContact OE2-CA 3.49Å; E240-T243 WeakPolarHBondContact OE2-CB 3.41Å; E240-T243 VanDerWaalsContact OE2-CG2 3.31Å; E240-T243 WeakPolarHBondContact OE2-CG2 3.38Å; E240-T243 PolarHBondContact OE2-N 2.85Å; E240-T243 PolarHBondContact OE2-OG1 2.96Å; E240-G244 WeakPolarHBondContact O-CA 3.41Å; E240-G244 PolarHBondContact O-N 3.19Å; E240-I245 PolarHBondContact N-O 3.46Å; E240-H247 WeakPolarHBondContact CB-NE2 3.21Å
241A95.6Very high96.4Very high0 Ų040 Ų400%022%0.224CC..THydrogen-bonded Turntrans-65.9-39.6-166.600000113.3A184 V197 L222 G225 V227 Y239A184-A241 HydrophobicContact CB-CB 3.71Å; V197-A241 HydrophobicContact CG1-CB 3.93Å; V197-A241 WeakPolarHBondContact CG1-O 3.32Å; L222-A241 HydrophobicContact CD1-CB 4.08Å; G225-A241 WeakPolarHBondContact O-CB 3.49Å; G225-A241 PolarHBondContact O-N 2.98Å; V227-A241 HydrophobicContact CG2-CB 3.93Å; Y239-A241 PolarHBondContact O-N 3.43Å
242V94.6Very high96.4Very high56 Ų5640.1 Ų40.134%0.33923%0.225SC..THydrogen-bonded Turntrans-81.2-41.1-170.5-1790000112.3L183 N208 E240L183-V242 HydrophobicContact CB-CG2 4.21Å; L183-V242 HydrophobicContact CD1-CG2 4.46Å; N208-V242 PolarHBondContact ND2-O 3.27Å; E240-V242 PolarHBondContact O-N 2.85Å; E240-V242 PolarHBondContact OE1-N 2.88Å; E240-V242 PolarHBondContact OE2-N 2.87Å
243T94.9Very high96.5Very high80 Ų8039.7 Ų39.749%0.49122%0.217SC..THydrogen-bonded Turntrans-94.2-24.7-176.266.90000112.2N208 E240 I245N208-T243 PolarHBondContact ND2-O 3.19Å; E240-T243 WeakPolarHBondContact OE2-CA 3.49Å; E240-T243 WeakPolarHBondContact OE2-CB 3.41Å; E240-T243 VanDerWaalsContact OE2-CG2 3.31Å; E240-T243 WeakPolarHBondContact OE2-CG2 3.38Å; E240-T243 PolarHBondContact OE2-N 2.85Å; E240-T243 PolarHBondContact OE2-OG1 2.96Å; T243-I245 HydrophobicContact CG2-CD1 4.5Å; T243-I245 PolarHBondContact O-N 3.47Å; T243-I245 WeakPolarHBondContact OG1-CD1 3.27Å; T243-I245 WeakPolarHBondContact OG1-CG1 3.34Å; T243-I245 PolarHBondContact OG1-N 2.94Å
244G95.5Very high96.6Very high18 Ų1840.8 Ų40.819%0.18623%0.232CC..  trans73.713.5-177.200000113.4N208 E240 L246N208-G244 WeakPolarHBondContact ND2-CA 3.45Å; N208-G244 PolarHBondContact ND2-N 2.87Å; E240-G244 WeakPolarHBondContact O-CA 3.41Å; E240-G244 PolarHBondContact O-N 3.19Å; G244-L246 PolarHBondContact O-N 2.99Å
245I94.6Very high96.6Very high101 Ų10147.9 Ų47.952%0.51826%0.259SS..  trans-66.2127.6177.5-68.2170.4000108.9Y239 E240 T243 H247Y239-I245 CarbonylContact C-O 3.59Å; Y239-I245 VanDerWaalsContact CA-O 3.29Å; Y239-I245 WeakPolarHBondContact CA-O 3.41Å; E240-I245 PolarHBondContact N-O 3.46Å; T243-I245 HydrophobicContact CG2-CD1 4.5Å; T243-I245 PolarHBondContact O-N 3.47Å; T243-I245 WeakPolarHBondContact OG1-CD1 3.27Å; T243-I245 WeakPolarHBondContact OG1-CG1 3.34Å; T243-I245 PolarHBondContact OG1-N 2.94Å; I245-H247 PolarHBondContact O-N 3.06Å
246L95.4Very high96.6Very high81 Ų8150.1 Ų50.142%0.42427%0.266SS..EExtended strand (participates in β ladder)trans-73115.9172.9-178.870.7000109.6R237 Y239 G244 A248 E249R237-L246 HydrophobicContact CB-CD1 3.83Å; R237-L246 HydrophobicContact CG-CD1 4.27Å; Y239-L246 HydrophobicContact CD1-CB 4.02Å; Y239-L246 HydrophobicContact CD1-CD1 3.92Å; Y239-L246 HydrophobicContact CE1-CB 3.96Å; Y239-L246 HydrophobicContact CE1-CD1 3.56Å; Y239-L246 HydrophobicContact CE1-CG 4.33Å; Y239-L246 HydrophobicContact CE2-CD1 4.41Å; Y239-L246 HydrophobicContact CG-CD1 4.5Å; G244-L246 PolarHBondContact O-N 2.99Å; L246-A248 WeakPolarHBondContact CD1-O 3.12Å; L246-E249 HydrophobicContact CD2-CB 4.48Å
247H95.3Very high96.6Very high62 Ų6250.1 Ų50.129%0.28727%0.266SS..EExtended strand (participates in β ladder)trans-85.3-42.2174.2-76.6-58.7000112.5L238 E240 I245 N290 V292L238-H247 HydrophobicContact CB-CB 4.4Å; L238-H247 PolarHBondContact O-N 2.81Å; E240-H247 WeakPolarHBondContact CB-NE2 3.21Å; I245-H247 PolarHBondContact O-N 3.06Å; H247-N290 PolarHBondContact CE1-O 2.79Å; H247-N290 VanDerWaalsContact CE1-O 3.29Å; H247-N290 PolarHBondContact NE2-O 3.14Å; H247-V292 HydrophobicContact CB-CB 4.36Å
248A95.9Very high96.6Very high21 Ų2150.7 Ų50.717%0.17427%0.268CS..EExtended strand (participates in β ladder)trans-151.3147.1-176.400000111.7R237 L238 L246 I294R237-A248 WeakPolarHBondContact CA-O 3.41Å; L238-A248 HydrophobicContact CB-CB 4.25Å; L238-A248 HydrophobicContact CD1-CB 4.13Å; L238-A248 HydrophobicContact CG-CB 4.18Å; L238-A248 PolarHBondContact N-O 3Å; L238-A248 PolarHBondContact O-N 3Å; L246-A248 WeakPolarHBondContact CD1-O 3.12Å; A248-I294 HydrophobicContact CB-CG2 4.05Å
249E96.3Very high96.6Very high97 Ų9750.7 Ų50.745%0.45327%0.269SS..EExtended strand (participates in β ladder)trans-128.8125.8168.6179.5175.596.600108.2Q235 I236 R237 L246Q235-E249 VanDerWaalsContact OE1-CG 3.3Å; Q235-E249 PolarHBondContact OE1-OE1 3.35Å; Q235-E249 PolarHBondContact OE1-OE2 3.09Å; Q235-E249 VanDerWaalsContact OE1-OE2 3.13Å; I236-E249 WeakPolarHBondContact O-CA 3.49Å; R237-E249 HydrophobicContact CG-CB 4.39Å; R237-E249 HydrophobicContact CG-CG 4.1Å; R237-E249 IonicContact CZ-OE2 2.75Å; R237-E249 IonicContact NE-OE2 3.99Å; R237-E249 PolarHBondContact NE-OE2 2.82Å; R237-E249 IonicContact NH2-OE2 3.8Å; R237-E249 PolarHBondContact NH2-OE2 3.14Å; L246-E249 HydrophobicContact CD2-CB 4.48Å
250V97.8Very high96.7Very high29 Ų2950.1 Ų50.118%0.17627%0.266CS..EExtended strand (participates in β ladder)trans-123.8124.8-175.6-175.60000109.2Q235 I236 A252 W281 I294Q235-V250 CarbonylContact C-O 3.58Å; Q235-V250 VanDerWaalsContact CA-O 3.23Å; Q235-V250 WeakPolarHBondContact CA-O 3.3Å; I236-V250 PolarHBondContact N-O 3.37Å; I236-V250 PolarHBondContact O-N 3.33Å; V250-A252 HydrophobicContact CG1-CB 4.23Å; V250-A252 PolarHBondContact O-N 2.65Å; V250-W281 HydrophobicContact CG1-CH2 3.82Å; V250-W281 HydrophobicContact CG1-CZ3 3.79Å; V250-I294 HydrophobicContact CG2-CD1 4.24Å; V250-I294 HydrophobicContact CG2-CG2 3.39Å
251N97.8Very high96.8Very high130 Ų13049.8 Ų49.870%0.69527%0.265SS*.EExtended strand (participates in β ladder)trans-73.274.9166.9-68.6-55.6000109.3Q235Q235-N251 WeakPolarHBondContact CG-OD1 3.4Å
252A98.1Very high96.9Very high3 Ų350.3 Ų50.33%0.02527%0.268CS..  trans-75.4-36.6-168.700000112.1G234 I236 V250 I257 R279 W281G234-A252 PolarHBondContact O-N 3.32Å; G234-A252 VanDerWaalsContact O-N 3.14Å; I236-A252 HydrophobicContact CB-CB 4.35Å; I236-A252 HydrophobicContact CD1-CB 3.49Å; I236-A252 VanDerWaalsContact CD1-CB 3.49Å; I236-A252 HydrophobicContact CG1-CB 3.63Å; V250-A252 HydrophobicContact CG1-CB 4.23Å; V250-A252 PolarHBondContact O-N 2.65Å; A252-I257 HydrophobicContact CB-CD1 4.49Å; A252-R279 WeakPolarHBondContact O-CD 3.32Å; A252-R279 PolarHBondContact O-NE 2.66Å; A252-R279 PolarHBondContact O-NH1 3.4Å; A252-W281 HydrophobicContact CB-CH2 4.01Å; A252-W281 HydrophobicContact CB-CZ2 3.58Å
253H98.3Very high97Very high13 Ų1347.7 Ų47.76%0.0625%0.252CS..  trans-138.3157.9-174.9-70.8-92.4000111.8G234 R255 I257 S271 A273 D275 F277 R279G234-H253 WeakPolarHBondContact CA-O 3.33Å; G234-H253 PolarHBondContact O-N 3.22Å; H253-R255 VanDerWaalsContact C-N 3.32Å; H253-I257 HydrophobicContact CB-CG1 4.36Å; H253-S271 PolarHBondContact NE2-OG 3.4Å; H253-A273 HydrophobicContact CB-CB 3.71Å; H253-A273 VanDerWaalsContact CG-CB 3.43Å; H253-A273 VanDerWaalsContact ND1-CB 3.26Å; H253-A273 WeakPolarHBondContact ND1-CB 3.16Å; H253-D275 WeakPolarHBondContact CA-OD2 3.44Å; H253-D275 VanDerWaalsContact CB-OD2 3.31Å; H253-D275 WeakPolarHBondContact CB-OD2 3.4Å; H253-D275 IonicContact CE1-OD1 3Å; H253-D275 IonicContact CG-OD1 3.46Å; H253-D275 IonicContact CG-OD2 2.76Å; H253-D275 IonicContact ND1-OD1 3.06Å; H253-D275 PolarHBondContact ND1-OD1 3.1Å; H253-D275 IonicContact ND1-OD2 3.97Å; H253-D275 PolarHBondContact ND1-OD2 2.89Å; H253-F277 PolarHBondContact CE1-O 2.97Å; H253-F277 VanDerWaalsContact CE1-O 3.28Å; H253-R279 PolarHBondContact CE1-NH1 2.93Å; H253-R279 VanDerWaalsContact CE1-NH1 3.34Å; H253-R279 VanDerWaalsContact CG-NH1 3.33Å; H253-R279 PolarHBondContact ND1-NH1 2.82Å
254A97.4Very high97Very high82 Ų8245 Ų4568%0.67824%0.236SC*.SBendtrans-85.7-8.1177.500000113.1D275A254-D275 HydrophobicContact CB-CB 4.39Å; A254-D275 PolarHBondContact N-OD2 2.73Å
255R96.9Very high96.9Very high149 Ų14950.8 Ų50.856%0.56226%0.256SS*.SBendtrans-143.5179.2-176.7-64.8-65.6-178.7128-2.2110.5G234 H253 I257 E274 D275G234-R255 WeakPolarHBondContact CA-O 3.34Å; H253-R255 VanDerWaalsContact C-N 3.32Å; R255-I257 PolarHBondContact O-N 3.09Å; R255-E274 HydrophobicContact CB-CB 3.94Å; R255-E274 HydrophobicContact CB-CG 4.38Å; R255-D275 HydrophobicContact CB-CB 3.97Å; R255-D275 HydrophobicContact CG-CB 4.01Å
256W97.1Very high96.9Very high75 Ų7547.8 Ų47.828%0.28424%0.244SC..  trans-52.7126.4-176.2-151.1-51000112.4Y18 T216 S218 G232 Y258 A273 E274Y18-W256 AromaticContact CE1-NE1 3.85Å; Y18-W256 WeakPolarHBondContact OH-CZ2 3.32Å; T216-W256 HydrophobicContact CG2-CZ2 3.69Å; S218-W256 VanDerWaalsContact CB-NE1 3.32Å; S218-W256 PolarHBondContact OG-NE1 3.42Å; S218-W256 VanDerWaalsContact OG-NE1 3.08Å; G232-W256 VanDerWaalsContact CA-CD1 3.45Å; G232-W256 VanDerWaalsContact CA-CD2 3.5Å; G232-W256 VanDerWaalsContact CA-CE2 3.45Å; G232-W256 VanDerWaalsContact CA-CG 3.49Å; G232-W256 WeakPolarHBondContact O-CA 3.43Å; W256-Y258 HydrophobicContact CB-CD2 4.21Å; W256-Y258 HydrophobicContact CB-CE2 3.96Å; W256-Y258 HydrophobicContact CG-CD2 4.48Å; W256-Y258 HydrophobicContact CG-CE2 4.19Å; W256-Y258 PolarHBondContact O-N 2.79Å; W256-A273 WeakPolarHBondContact O-CA 3.47Å; W256-A273 WeakPolarHBondContact O-CB 3.38Å; W256-E274 PolarHBondContact O-N 2.93Å
257I98.3Very high96.9Very high0 Ų044 Ų440%023%0.225CC..EExtended strand (participates in β ladder)trans-75.7115171.6-60.8-179.8000108.8S218 Y231 Q235 I236 A252 H253 R255 L260 A272S218-I257 VanDerWaalsContact CB-O 3.31Å; S218-I257 WeakPolarHBondContact CB-O 3.45Å; S218-I257 PolarHBondContact OG-O 3.08Å; Y231-I257 PolarHBondContact O-N 2.85Å; Q235-I257 WeakPolarHBondContact O-CD1 3.39Å; I236-I257 HydrophobicContact CD1-CD1 4.37Å; I236-I257 HydrophobicContact CG1-CD1 3.54Å; A252-I257 HydrophobicContact CB-CD1 4.49Å; H253-I257 HydrophobicContact CB-CG1 4.36Å; R255-I257 PolarHBondContact O-N 3.09Å; I257-L260 HydrophobicContact CG2-CD2 3.93Å; I257-L260 HydrophobicContact CG2-CG 4.19Å; I257-A272 CarbonylContact C-O 3.21Å
258Y97.7Very high97Very high26 Ų2641.8 Ų41.810%0.10222%0.215CC..EExtended strand (participates in β ladder)trans-89.6-22.5-180-94.2-103.2000113.3Y18 N19 W256 A272 E274 Q306 I307 C308Y18-Y258 AromaticContact CD1-CD1 3.6Å; Y18-Y258 HydrophobicContact CD1-CD1 3.6Å; Y18-Y258 AromaticContact CD1-CE1 3.71Å; Y18-Y258 HydrophobicContact CD1-CE1 3.71Å; Y18-Y258 HydrophobicContact CD1-CG 4.18Å; Y18-Y258 HydrophobicContact CE1-CD1 4.12Å; Y18-Y258 AromaticContact CE1-CE1 3.83Å; Y18-Y258 HydrophobicContact CE1-CE1 3.83Å; N19-Y258 PolarHBondContact N-O 3.15Å; W256-Y258 HydrophobicContact CB-CD2 4.21Å; W256-Y258 HydrophobicContact CB-CE2 3.96Å; W256-Y258 HydrophobicContact CG-CD2 4.48Å; W256-Y258 HydrophobicContact CG-CE2 4.19Å; W256-Y258 PolarHBondContact O-N 2.79Å; Y258-A272 PolarHBondContact N-O 3.05Å; Y258-E274 HydrophobicContact CD2-CB 4.22Å; Y258-E274 HydrophobicContact CE2-CB 4.04Å; Y258-Q306 PolarHBondContact OH-NE2 3.23Å; Y258-I307 WeakPolarHBondContact CB-O 3.43Å; Y258-C308 HydrophobicContact CD1-CB 4.34Å
259S98.3Very high97.2Very high1 Ų140.8 Ų40.81%0.00721%0.207CC..EExtended strand (participates in β ladder)trans-152.7136.2-177.9-159.30000112.5N19 A272 A310N19-S259 WeakPolarHBondContact OD1-CA 3.18Å; N19-S259 PolarHBondContact OD1-OG 2.86Å; S259-A272 PolarHBondContact N-O 3.13Å; S259-A272 PolarHBondContact O-N 3.47Å; S259-A310 PolarHBondContact OG-N 2.81Å; S259-A310 PolarHBondContact OG-O 3.38Å
260L98.6Very high97.3Very high0 Ų036.2 Ų36.20%019%0.186CC..EExtended strand (participates in β ladder)trans-114.7148.6162.2-66.4-176.4000110.2S219 K221 I236 I257 L269 L270 S271 K311S219-L260 PolarHBondContact OG-N 3.37Å; K221-L260 WeakPolarHBondContact CE-O 3.47Å; K221-L260 HydrophobicContact CG-CB 4.24Å; I236-L260 HydrophobicContact CD1-CD2 4.19Å; I236-L260 HydrophobicContact CG1-CD2 4.36Å; I257-L260 HydrophobicContact CG2-CD2 3.93Å; I257-L260 HydrophobicContact CG2-CG 4.19Å; L260-L269 HydrophobicContact CB-CD1 4.43Å; L260-L269 HydrophobicContact CD2-CD1 4.33Å; L260-L270 WeakPolarHBondContact CA-O 3.47Å; L260-S271 VanDerWaalsContact CD2-CB 3.5Å; L260-K311 PolarHBondContact O-NZ 3.35Å
261D98.6Very high97.3Very high21 Ų2134.8 Ų34.811%0.11218%0.177CC..EExtended strand (participates in β ladder)trans-148.4155.9168.8-153.343.2000111.5L269 L270 K311 F312D261-L269 CarbonylContact O-C 3.57Å; D261-L269 WeakPolarHBondContact O-CA 3.38Å; D261-L269 VanDerWaalsContact O-CD1 3.23Å; D261-L269 WeakPolarHBondContact O-CD1 3.46Å; D261-L270 HydrophobicContact CB-CB 4.17Å; D261-L270 PolarHBondContact N-O 3.26Å; D261-L270 PolarHBondContact O-N 2.81Å; D261-K311 HydrophobicContact CB-CD 3.84Å; D261-K311 WeakPolarHBondContact OD1-CD 3.16Å; D261-K311 IonicContact OD1-NZ 2.74Å; D261-K311 PolarHBondContact OD1-NZ 2.86Å; D261-K311 WeakPolarHBondContact OD2-CA 3.31Å; D261-K311 WeakPolarHBondContact OD2-CD 2.92Å; D261-F312 HydrophobicContact CB-CD2 4.28Å; D261-F312 PolarHBondContact OD2-N 3.26Å
262I97.8Very high97.3Very high12 Ų1228.6 Ų28.66%0.06214%0.144CC..EExtended strand (participates in β ladder)trans-128.5134.1179.3-173.682.4000109.1C176 K221 W223 L228 P264 L268 L269 L283C176-I262 WeakPolarHBondContact SG-CG2 3.34Å; K221-I262 HydrophobicContact CB-CG2 4.44Å; W223-I262 HydrophobicContact CB-CG1 4.19Å; W223-I262 HydrophobicContact CD2-CD1 4.41Å; W223-I262 HydrophobicContact CD2-CG1 4.47Å; W223-I262 HydrophobicContact CG-CD1 4.31Å; W223-I262 HydrophobicContact CG-CG1 3.95Å; L228-I262 HydrophobicContact CD1-CB 4.48Å; L228-I262 HydrophobicContact CD1-CD1 3.98Å; I262-P264 WeakPolarHBondContact O-CD 3.18Å; I262-L268 CarbonylContact C-O 3.54Å; I262-L268 WeakPolarHBondContact CA-O 3.46Å; I262-L268 VanDerWaalsContact CD1-O 3.26Å; I262-L268 WeakPolarHBondContact CD1-O 3.1Å; I262-L269 HydrophobicContact CD1-CB 4.1Å; I262-L283 HydrophobicContact CD1-CD1 3.67Å; I262-L283 HydrophobicContact CD1-CG 4.49Å
263A97.1Very high97.3Very high0 Ų028.5 Ų28.50%014%0.143CC..EExtended strand (participates in β ladder)trans-86.7100.5163.800000107.7F265 S266 G267 L268 F312 G315A263-F265 VanDerWaalsContact C-N 3.27Å; A263-F265 PolarHBondContact O-N 3.05Å; A263-S266 WeakPolarHBondContact CB-OG 3.38Å; A263-S266 PolarHBondContact O-N 3.04Å; A263-G267 PolarHBondContact O-N 2.97Å; A263-L268 HydrophobicContact CB-CB 4.1Å; A263-L268 PolarHBondContact N-O 2.77Å; A263-F312 HydrophobicContact CB-CD1 4.36Å; A263-F312 HydrophobicContact CB-CD2 3.8Å; A263-F312 HydrophobicContact CB-CE2 3.98Å; A263-F312 HydrophobicContact CB-CG 3.99Å; A263-F312 HydrophobicContact CB-CZ 4.36Å; A263-G315 CarbonylContact C-O 3.58Å; A263-G315 WeakPolarHBondContact CB-O 3.4Å
264P94.1Very high97.3Very high23 Ų2331 Ų3115%0.14916%0.155CC..THydrogen-bonded Turntrans-63.9-27.3-164.822.8-36.6000114.8C176 W223 I262C176-P264 HydrophobicContact CB-CB 4.42Å; C176-P264 WeakPolarHBondContact O-CB 3.45Å; W223-P264 PolarHBondContact NE1-O 3.47Å; I262-P264 WeakPolarHBondContact O-CD 3.18Å
265F93.3Very high97.2Very high140 Ų14028.2 Ų28.261%0.61413%0.129SC*.THydrogen-bonded Turntrans-82.9-37.4-176-53.5-37.2000112.3A263 G315A263-F265 VanDerWaalsContact C-N 3.27Å; A263-F265 PolarHBondContact O-N 3.05Å; F265-G315 WeakPolarHBondContact CB-O 3.39Å; F265-G315 VanDerWaalsContact CD2-C 3.49Å; F265-G315 PolarHBondContact N-O 2.9Å
266S94.8Very high97.2Very high38 Ų3822.3 Ų22.327%0.26611%0.11SC..THydrogen-bonded Turntrans-93-13.4179.857.80000113.9A263 L268 D316A263-S266 WeakPolarHBondContact CB-OG 3.38Å; A263-S266 PolarHBondContact O-N 3.04Å; S266-L268 PolarHBondContact O-N 3.41Å; S266-L268 WeakPolarHBondContact OG-CG 3.24Å; S266-D316 WeakPolarHBondContact CB-O 3.17Å; S266-D316 VanDerWaalsContact OG-C 3.28Å; S266-D316 PolarHBondContact OG-O 3.13Å
267G95.5Very high97.3Very high2 Ų221.8 Ų21.82%0.02111%0.11CC..THydrogen-bonded Turntrans68.923.5-175.400000112.9W223 A263 L283W223-G267 VanDerWaalsContact CZ2-CA 3.47Å; A263-G267 PolarHBondContact O-N 2.97Å; G267-L283 WeakPolarHBondContact O-CB 3.36Å; G267-L283 PolarHBondContact O-N 2.9Å
268L97.8Very high97.2Very high15 Ų1521.9 Ų21.98%0.07911%0.11CC..EExtended strand (participates in β ladder)trans-81.6126.4174.2-63.3175.1000110.1I262 A263 S266 V280 W281 L297 F312I262-L268 CarbonylContact C-O 3.54Å; I262-L268 WeakPolarHBondContact CA-O 3.46Å; I262-L268 VanDerWaalsContact CD1-O 3.26Å; I262-L268 WeakPolarHBondContact CD1-O 3.1Å; A263-L268 HydrophobicContact CB-CB 4.1Å; A263-L268 PolarHBondContact N-O 2.77Å; S266-L268 PolarHBondContact O-N 3.41Å; S266-L268 WeakPolarHBondContact OG-CG 3.24Å; L268-V280 HydrophobicContact CB-CG1 4.35Å; L268-V280 HydrophobicContact CD2-CG1 4.13Å; L268-W281 CarbonylContact C-O 3.57Å; L268-W281 VanDerWaalsContact CA-O 3.28Å; L268-W281 WeakPolarHBondContact CA-O 3.32Å; L268-L297 HydrophobicContact CD2-CD1 3.45Å; L268-L297 VanDerWaalsContact CD2-CD1 3.45Å; L268-F312 HydrophobicContact CB-CE1 4.34Å; L268-F312 HydrophobicContact CB-CE2 4.22Å; L268-F312 HydrophobicContact CB-CZ 3.68Å; L268-F312 WeakPolarHBondContact O-CE2 3.27Å
269L98.6Very high97.3Very high0 Ų022.9 Ų22.90%011%0.114CC..EExtended strand (participates in β ladder)trans-99.9133.6171.5173.469.3000109.3L228 I236 L260 D261 I262 V280 W281 L283 I294L228-L269 HydrophobicContact CD1-CD1 3.8Å; I236-L269 HydrophobicContact CD1-CD2 4.19Å; I236-L269 HydrophobicContact CG2-CD2 4.21Å; L260-L269 HydrophobicContact CB-CD1 4.43Å; L260-L269 HydrophobicContact CD2-CD1 4.33Å; D261-L269 CarbonylContact O-C 3.57Å; D261-L269 WeakPolarHBondContact O-CA 3.38Å; D261-L269 VanDerWaalsContact O-CD1 3.23Å; D261-L269 WeakPolarHBondContact O-CD1 3.46Å; I262-L269 HydrophobicContact CD1-CB 4.1Å; L269-V280 CarbonylContact O-C 3.51Å; L269-V280 WeakPolarHBondContact O-CA 3.31Å; L269-W281 HydrophobicContact CB-CB 4.22Å; L269-W281 PolarHBondContact N-O 2.92Å; L269-W281 PolarHBondContact O-N 2.85Å; L269-L283 HydrophobicContact CB-CD1 4.16Å; L269-L283 HydrophobicContact CB-CG 4.13Å; L269-L283 HydrophobicContact CD2-CD2 4.44Å; L269-I294 HydrophobicContact CD2-CD1 3.93Å
270L98.6Very high97.3Very high1 Ų122.9 Ų22.91%0.00511%0.114CC..EExtended strand (participates in β ladder)trans-104.6132.1171.6-166.466.7000108.5L260 D261 V278 R279 V280 A310 F312 F320L260-L270 WeakPolarHBondContact CA-O 3.47Å; D261-L270 HydrophobicContact CB-CB 4.17Å; D261-L270 PolarHBondContact N-O 3.26Å; D261-L270 PolarHBondContact O-N 2.81Å; L270-V278 HydrophobicContact CD1-CG1 3.34Å; L270-V278 HydrophobicContact CG-CG1 3.96Å; L270-R279 WeakPolarHBondContact CA-O 3.26Å; L270-V280 HydrophobicContact CD1-CG2 3.78Å; L270-A310 HydrophobicContact CD2-CB 3.74Å; L270-A310 HydrophobicContact CG-CB 4.31Å; L270-F312 HydrophobicContact CB-CD2 4.11Å; L270-F312 HydrophobicContact CB-CE2 3.52Å; L270-F312 HydrophobicContact CB-CZ 3.81Å; L270-F312 HydrophobicContact CD1-CZ 4.36Å; L270-F320 HydrophobicContact CD1-CB 4.5Å; L270-F320 HydrophobicContact CD1-CD1 4.28Å; L270-F320 HydrophobicContact CD1-CD2 4.2Å; L270-F320 HydrophobicContact CD1-CE2 4.5Å; L270-F320 HydrophobicContact CD1-CG 4.09Å; L270-F320 HydrophobicContact CD2-CB 3.89Å; L270-F320 HydrophobicContact CD2-CD2 4.27Å; L270-F320 HydrophobicContact CD2-CG 4.22Å
271S98.8Very high97.3Very high0 Ų023.7 Ų23.70%012%0.117CC..EExtended strand (participates in β ladder)trans-127.1138168.966.40000110.7H253 L260 V278 R279 W281H253-S271 PolarHBondContact NE2-OG 3.4Å; L260-S271 VanDerWaalsContact CD2-CB 3.5Å; S271-V278 CarbonylContact O-C 3.59Å; S271-V278 WeakPolarHBondContact O-CA 3.19Å; S271-R279 PolarHBondContact N-O 2.83Å; S271-R279 PolarHBondContact O-N 2.8Å; S271-W281 PolarHBondContact OG-NE1 2.79Å
272A98.4Very high97.2Very high0 Ų026 Ų260%013%0.127CC..EExtended strand (participates in β ladder)trans-138.9139179.600000111.2I257 Y258 S259 V278 I307 A310I257-A272 CarbonylContact C-O 3.21Å; Y258-A272 PolarHBondContact N-O 3.05Å; S259-A272 PolarHBondContact N-O 3.13Å; S259-A272 PolarHBondContact O-N 3.47Å; A272-V278 HydrophobicContact CB-CG2 3.96Å; A272-I307 HydrophobicContact CB-CB 4.4Å; A272-I307 HydrophobicContact CB-CD1 4.47Å; A272-I307 HydrophobicContact CB-CG2 3.62Å; A272-A310 HydrophobicContact CB-CB 3.43Å; A272-A310 VanDerWaalsContact CB-CB 3.43Å
273A98.1Very high97.2Very high0 Ų025.6 Ų25.60%013%0.125CC..EExtended strand (participates in β ladder)trans-139.5169.9-168.800000113.6H253 W256 D275 S276 F277 I307H253-A273 HydrophobicContact CB-CB 3.71Å; H253-A273 VanDerWaalsContact CG-CB 3.43Å; H253-A273 VanDerWaalsContact ND1-CB 3.26Å; H253-A273 WeakPolarHBondContact ND1-CB 3.16Å; W256-A273 WeakPolarHBondContact O-CA 3.47Å; W256-A273 WeakPolarHBondContact O-CB 3.38Å; A273-D275 WeakPolarHBondContact CB-OD1 3.24Å; A273-D275 PolarHBondContact O-N 3.11Å; A273-S276 PolarHBondContact O-N 3.06Å; A273-F277 PolarHBondContact N-O 3.3Å; A273-I307 WeakPolarHBondContact O-CB 3.42Å
274E96.8Very high97.1Very high66 Ų6627.7 Ų27.731%0.30814%0.14SC..THydrogen-bonded Turntrans-62.6-15.9173.6177.3-178-159.500112.9R255 W256 Y258 S276 Q306R255-E274 HydrophobicContact CB-CB 3.94Å; R255-E274 HydrophobicContact CB-CG 4.38Å; W256-E274 PolarHBondContact O-N 2.93Å; Y258-E274 HydrophobicContact CD2-CB 4.22Å; Y258-E274 HydrophobicContact CE2-CB 4.04Å; E274-S276 PolarHBondContact O-N 3.03Å; E274-S276 VanDerWaalsContact O-N 3.09Å; E274-Q306 HydrophobicContact CB-CG 4.3Å; E274-Q306 HydrophobicContact CG-CG 3.99Å
275D96.6Very high96.9Very high24 Ų2428.7 Ų28.713%0.12814%0.143CC..THydrogen-bonded Turntrans-73.88.8175.870.20.1000114.2H253 A254 R255 A273 F277 R279H253-D275 WeakPolarHBondContact CA-OD2 3.44Å; H253-D275 VanDerWaalsContact CB-OD2 3.31Å; H253-D275 WeakPolarHBondContact CB-OD2 3.4Å; H253-D275 IonicContact CE1-OD1 3Å; H253-D275 IonicContact CG-OD1 3.46Å; H253-D275 IonicContact CG-OD2 2.76Å; H253-D275 IonicContact ND1-OD1 3.06Å; H253-D275 PolarHBondContact ND1-OD1 3.1Å; H253-D275 IonicContact ND1-OD2 3.97Å; H253-D275 PolarHBondContact ND1-OD2 2.89Å; A254-D275 HydrophobicContact CB-CB 4.39Å; A254-D275 PolarHBondContact N-OD2 2.73Å; R255-D275 HydrophobicContact CB-CB 3.97Å; R255-D275 HydrophobicContact CG-CB 4.01Å; A273-D275 WeakPolarHBondContact CB-OD1 3.24Å; A273-D275 PolarHBondContact O-N 3.11Å; D275-F277 HydrophobicContact CB-CD2 4.42Å; D275-F277 WeakPolarHBondContact O-CD2 3.29Å; D275-F277 PolarHBondContact O-N 2.88Å; D275-F277 WeakPolarHBondContact OD1-CB 3.3Å; D275-F277 PolarHBondContact OD1-N 2.96Å; D275-F277 VanDerWaalsContact OD1-N 3.09Å; D275-R279 IonicContact OD2-NH1 3Å; D275-R279 PolarHBondContact OD2-NH1 2.81Å
276S97Very high96.6Very high25 Ų2524.2 Ų24.218%0.17513%0.128CC..SBendtrans67.87.3-177.3-580000115A273 E274 V302 T305A273-S276 PolarHBondContact O-N 3.06Å; E274-S276 PolarHBondContact O-N 3.03Å; E274-S276 VanDerWaalsContact O-N 3.09Å; S276-V302 WeakPolarHBondContact CB-O 3.46Å; S276-V302 PolarHBondContact O-N 2.83Å; S276-T305 WeakPolarHBondContact CA-O 3.43Å; S276-T305 WeakPolarHBondContact CB-O 3.33Å; S276-T305 PolarHBondContact OG-O 2.62Å
277F97.9Very high96.1Very high64 Ų6427.5 Ų27.528%0.28115%0.148SC..EExtended strand (participates in β ladder)trans-99.6141.2175.8-70.5-90.7000112.4H253 A273 D275 N299 E300 C301 I307H253-F277 PolarHBondContact CE1-O 2.97Å; H253-F277 VanDerWaalsContact CE1-O 3.28Å; A273-F277 PolarHBondContact N-O 3.3Å; D275-F277 HydrophobicContact CB-CD2 4.42Å; D275-F277 WeakPolarHBondContact O-CD2 3.29Å; D275-F277 PolarHBondContact O-N 2.88Å; D275-F277 WeakPolarHBondContact OD1-CB 3.3Å; D275-F277 PolarHBondContact OD1-N 2.96Å; D275-F277 VanDerWaalsContact OD1-N 3.09Å; F277-N299 HydrophobicContact CD1-CB 4.49Å; F277-E300 WeakPolarHBondContact CA-O 3.35Å; F277-C301 HydrophobicContact CD1-CB 4.12Å; F277-C301 HydrophobicContact CE1-CB 3.74Å; F277-C301 HydrophobicContact CZ-CB 4.18Å; F277-I307 WeakPolarHBondContact O-CD1 3.37Å
278V97.9Very high95.6Very high1 Ų135 Ų351%0.00618%0.182CC..EExtended strand (participates in β ladder)trans-108132.8158.4-176.50000107.7L270 S271 A272 N299 E300 V302 I307 F320 V322L270-V278 HydrophobicContact CD1-CG1 3.34Å; L270-V278 HydrophobicContact CG-CG1 3.96Å; S271-V278 CarbonylContact O-C 3.59Å; S271-V278 WeakPolarHBondContact O-CA 3.19Å; A272-V278 HydrophobicContact CB-CG2 3.96Å; V278-N299 CarbonylContact O-C 3.55Å; V278-N299 WeakPolarHBondContact O-CA 3.09Å; V278-E300 PolarHBondContact N-O 3.31Å; V278-E300 PolarHBondContact O-N 2.93Å; V278-V302 HydrophobicContact CG2-CG2 4.32Å; V278-I307 HydrophobicContact CG2-CD1 3.53Å; V278-F320 HydrophobicContact CB-CE2 4.46Å; V278-F320 HydrophobicContact CG1-CD2 4.39Å; V278-F320 HydrophobicContact CG1-CE2 3.87Å; V278-F320 HydrophobicContact CG1-CZ 4.3Å; V278-V322 HydrophobicContact CG2-CG1 3.94Å; V278-V322 HydrophobicContact CG2-CG2 3.83Å
279R98.6Very high94.9Very high47 Ų4738.7 Ų38.718%0.17721%0.206CC..EExtended strand (participates in β ladder)trans-123140.8177.8-67.3179.9169.7100.2-1.4110A252 H253 L270 S271 D275 W281 H298 N299A252-R279 WeakPolarHBondContact O-CD 3.32Å; A252-R279 PolarHBondContact O-NE 2.66Å; A252-R279 PolarHBondContact O-NH1 3.4Å; H253-R279 PolarHBondContact CE1-NH1 2.93Å; H253-R279 VanDerWaalsContact CE1-NH1 3.34Å; H253-R279 VanDerWaalsContact CG-NH1 3.33Å; H253-R279 PolarHBondContact ND1-NH1 2.82Å; L270-R279 WeakPolarHBondContact CA-O 3.26Å; S271-R279 PolarHBondContact N-O 2.83Å; S271-R279 PolarHBondContact O-N 2.8Å; D275-R279 IonicContact OD2-NH1 3Å; D275-R279 PolarHBondContact OD2-NH1 2.81Å; R279-W281 HydrophobicContact CB-CZ2 3.79Å; R279-W281 HydrophobicContact CG-CZ2 4.29Å; R279-H298 CarbonylContact C-O 3.6Å; R279-H298 WeakPolarHBondContact CA-O 3.43Å; R279-N299 HydrophobicContact CG-CB 4.05Å
280V98.4Very high94.1Very high1 Ų142.4 Ų42.41%0.00623%0.226CC..EExtended strand (participates in β ladder)trans-111.2131.2173.8-175.10000108.3F2 L268 L269 L270 L297 H298 F312 F320F2-V280 HydrophobicContact CD2-CG2 4.38Å; F2-V280 HydrophobicContact CE2-CG1 4.32Å; F2-V280 HydrophobicContact CE2-CG2 4Å; L268-V280 HydrophobicContact CB-CG1 4.35Å; L268-V280 HydrophobicContact CD2-CG1 4.13Å; L269-V280 CarbonylContact O-C 3.51Å; L269-V280 WeakPolarHBondContact O-CA 3.31Å; L270-V280 HydrophobicContact CD1-CG2 3.78Å; V280-L297 PolarHBondContact O-N 3.39Å; V280-H298 HydrophobicContact CB-CB 4.21Å; V280-H298 PolarHBondContact N-O 2.79Å; V280-H298 PolarHBondContact O-N 3.45Å; V280-F312 HydrophobicContact CG1-CZ 4.41Å; V280-F320 HydrophobicContact CG2-CE1 4.09Å
281W98.5Very high93.5Very high17 Ų1743.9 Ų43.96%0.06424%0.236CC..EExtended strand (participates in β ladder)trans-123.1153.4-179.5-42.281000109.6I236 V250 A252 L268 L269 S271 R279 I294 A295 H296I236-W281 HydrophobicContact CD1-CZ2 4.48Å; V250-W281 HydrophobicContact CG1-CH2 3.82Å; V250-W281 HydrophobicContact CG1-CZ3 3.79Å; A252-W281 HydrophobicContact CB-CH2 4.01Å; A252-W281 HydrophobicContact CB-CZ2 3.58Å; L268-W281 CarbonylContact C-O 3.57Å; L268-W281 VanDerWaalsContact CA-O 3.28Å; L268-W281 WeakPolarHBondContact CA-O 3.32Å; L269-W281 HydrophobicContact CB-CB 4.22Å; L269-W281 PolarHBondContact N-O 2.92Å; L269-W281 PolarHBondContact O-N 2.85Å; S271-W281 PolarHBondContact OG-NE1 2.79Å; R279-W281 HydrophobicContact CB-CZ2 3.79Å; R279-W281 HydrophobicContact CG-CZ2 4.29Å; W281-I294 HydrophobicContact CB-CD1 4.06Å; W281-I294 HydrophobicContact CB-CG1 3.84Å; W281-I294 HydrophobicContact CD2-CD1 4.12Å; W281-I294 HydrophobicContact CD2-CG1 4.28Å; W281-I294 HydrophobicContact CE3-CD1 4.17Å; W281-I294 HydrophobicContact CE3-CG1 3.99Å; W281-I294 HydrophobicContact CG-CD1 4.05Å; W281-I294 HydrophobicContact CG-CG1 4.23Å; W281-A295 CarbonylContact C-O 3.56Å; W281-A295 WeakPolarHBondContact CA-O 3.3Å; W281-H296 HydrophobicContact CE3-CB 3.7Å; W281-H296 HydrophobicContact CH2-CB 4.39Å; W281-H296 AromaticContact CH2-CD2 3.96Å; W281-H296 HydrophobicContact CZ3-CB 3.57Å; W281-H296 AromaticContact CZ3-CD2 3.95Å
282H97.6Very high93.2Very high69 Ų6944.2 Ų44.232%0.31924%0.238SC..EExtended strand (participates in β ladder)trans-104.1127.3168.4-171.3-109.2000109.2S284 I294 A295 L297H282-S284 PolarHBondContact CE1-OG 3.07Å; H282-S284 PolarHBondContact ND1-OG 3.07Å; H282-I294 WeakPolarHBondContact O-CA 3.45Å; H282-A295 PolarHBondContact N-O 3.39Å; H282-A295 PolarHBondContact O-N 2.78Å; H282-L297 HydrophobicContact CB-CD1 3.81Å; H282-L297 HydrophobicContact CB-CD2 4.14Å; H282-L297 HydrophobicContact CB-CG 3.93Å
283L97.1Very high93Very high4 Ų450.3 Ų50.32%0.02127%0.266CS..EExtended strand (participates in β ladder)trans-97131.9171.5-59.6-177.8000109.7W223 L228 L238 I262 G267 L269 E293 I294W223-L283 HydrophobicContact CE3-CB 4.24Å; W223-L283 HydrophobicContact CE3-CD1 3.96Å; W223-L283 HydrophobicContact CH2-CB 4.08Å; W223-L283 HydrophobicContact CZ3-CB 3.59Å; W223-L283 HydrophobicContact CZ3-CD1 4.18Å; L228-L283 HydrophobicContact CD1-CD1 3.6Å; L228-L283 HydrophobicContact CD2-CD1 3.67Å; L228-L283 HydrophobicContact CG-CD1 4.33Å; L238-L283 HydrophobicContact CD1-CD2 3.95Å; I262-L283 HydrophobicContact CD1-CD1 3.67Å; I262-L283 HydrophobicContact CD1-CG 4.49Å; G267-L283 WeakPolarHBondContact O-CB 3.36Å; G267-L283 PolarHBondContact O-N 2.9Å; L269-L283 HydrophobicContact CB-CD1 4.16Å; L269-L283 HydrophobicContact CB-CG 4.13Å; L269-L283 HydrophobicContact CD2-CD2 4.44Å; L283-E293 WeakPolarHBondContact CA-O 3.42Å; L283-I294 HydrophobicContact CD2-CB 3.76Å; L283-I294 HydrophobicContact CD2-CD1 3.93Å; L283-I294 HydrophobicContact CD2-CG1 3.77Å
284S93.9Very high93Very high45 Ų4551.8 Ų51.832%0.31527%0.274SS..EExtended strand (participates in β ladder)trans-127.6129.7177.2-63.10000109.3H282 V292 E293H282-S284 PolarHBondContact CE1-OG 3.07Å; H282-S284 PolarHBondContact ND1-OG 3.07Å; S284-V292 WeakPolarHBondContact O-CA 3.2Å; S284-E293 PolarHBondContact N-O 2.87Å; S284-E293 PolarHBondContact O-N 2.87Å
285I90Very high93Very high44 Ų4451 Ų5123%0.22628%0.279CS..EExtended strand (participates in β ladder)trans-106.7125.5176.7-55.4-177.1000107.5W223 K224 P287 S291 V292W223-I285 HydrophobicContact CE3-CD1 4.07Å; W223-I285 HydrophobicContact CH2-CD1 4.23Å; W223-I285 HydrophobicContact CH2-CG1 4.28Å; W223-I285 HydrophobicContact CZ3-CD1 3.64Å; W223-I285 HydrophobicContact CZ3-CG1 3.76Å; K224-I285 HydrophobicContact CB-CD1 3.48Å; K224-I285 VanDerWaalsContact CB-CD1 3.48Å; K224-I285 HydrophobicContact CD-CD1 3.82Å; K224-I285 HydrophobicContact CG-CD1 4.27Å; I285-P287 WeakPolarHBondContact O-CD 3.22Å; I285-S291 CarbonylContact C-O 3.55Å; I285-S291 WeakPolarHBondContact CA-O 3.32Å; I285-V292 HydrophobicContact CG1-CG1 4.48Å; I285-V292 HydrophobicContact CG1-CG2 4.24Å
286T89Confident93.1Very high46 Ų4654 Ų5428%0.28229%0.292SS..EExtended strand (participates in β ladder)trans-89.2107.2173.7-55.50000108.7E288 T289 N290 S291T286-E288 VanDerWaalsContact CG2-OE2 3.3Å; T286-E288 WeakPolarHBondContact CG2-OE2 3.49Å; T286-E288 PolarHBondContact O-N 2.82Å; T286-E288 VanDerWaalsContact O-N 3.17Å; T286-T289 PolarHBondContact O-N 3.29Å; T286-N290 VanDerWaalsContact O-CA 3.32Å; T286-N290 WeakPolarHBondContact O-CA 3.36Å; T286-N290 PolarHBondContact O-N 3.16Å; T286-S291 WeakPolarHBondContact CB-OG 3.47Å; T286-S291 PolarHBondContact N-O 3.27Å; T286-S291 PolarHBondContact OG1-OG 3.06Å
287P82.4Confident93.1Very high106 Ų10657.6 Ų57.669%0.68831%0.309SS*.THydrogen-bonded Turntrans-60-31.9-171.2-24.735.8000114.1I285 T289I285-P287 WeakPolarHBondContact O-CD 3.22Å; P287-T289 VanDerWaalsContact C-N 3.32Å; P287-T289 PolarHBondContact O-N 3.07Å
288E85.7Confident93Very high159 Ų15955.8 Ų55.874%0.74330%0.301SS*.THydrogen-bonded Turntrans-70.8-29.1-175.7-61.572.3-155.100112.9T286T286-E288 VanDerWaalsContact CG2-OE2 3.3Å; T286-E288 WeakPolarHBondContact CG2-OE2 3.49Å; T286-E288 PolarHBondContact O-N 2.82Å; T286-E288 VanDerWaalsContact O-N 3.17Å
289T82.9Confident92.9Very high94 Ų9459.4 Ų59.458%0.57732%0.32SS*.THydrogen-bonded Turntrans-117.3-6-175.658.40000112.9T286 P287 S291T286-T289 PolarHBondContact O-N 3.29Å; P287-T289 VanDerWaalsContact C-N 3.32Å; P287-T289 PolarHBondContact O-N 3.07Å; T289-S291 PolarHBondContact O-N 3.04Å; T289-S291 VanDerWaalsContact O-N 3.11Å; T289-S291 WeakPolarHBondContact OG1-CB 3.23Å; T289-S291 PolarHBondContact OG1-N 3.06Å; T289-S291 PolarHBondContact OG1-OG 3.1Å; T289-S291 VanDerWaalsContact OG1-OG 3.06Å
290N81.1Confident92.8Very high78 Ų7859.4 Ų59.442%0.41732%0.322SS..THydrogen-bonded Turntrans49.328-167.5-155.243.9000112.6H247 T286H247-N290 PolarHBondContact CE1-O 2.79Å; H247-N290 VanDerWaalsContact CE1-O 3.29Å; H247-N290 PolarHBondContact NE2-O 3.14Å; T286-N290 VanDerWaalsContact O-CA 3.32Å; T286-N290 WeakPolarHBondContact O-CA 3.36Å; T286-N290 PolarHBondContact O-N 3.16Å
291S86.9Confident92.7Very high32 Ų3262.1 Ų62.122%0.22434%0.341CS..EExtended strand (participates in β ladder)trans-79.7143.9177.372.20000110I285 T286 T289I285-S291 CarbonylContact C-O 3.55Å; I285-S291 WeakPolarHBondContact CA-O 3.32Å; T286-S291 WeakPolarHBondContact CB-OG 3.47Å; T286-S291 PolarHBondContact N-O 3.27Å; T286-S291 PolarHBondContact OG1-OG 3.06Å; T289-S291 PolarHBondContact O-N 3.04Å; T289-S291 VanDerWaalsContact O-N 3.11Å; T289-S291 WeakPolarHBondContact OG1-CB 3.23Å; T289-S291 PolarHBondContact OG1-N 3.06Å; T289-S291 PolarHBondContact OG1-OG 3.1Å; T289-S291 VanDerWaalsContact OG1-OG 3.06Å
292V92.6Very high92.5Very high7 Ų761.6 Ų61.64%0.04234%0.339CS..EExtended strand (participates in β ladder)trans-114.6123.4176.8-170.20000109.2T226 L238 H247 S284 I285T226-V292 HydrophobicContact CG2-CB 4.43Å; T226-V292 HydrophobicContact CG2-CG1 4.31Å; T226-V292 HydrophobicContact CG2-CG2 3.95Å; T226-V292 WeakPolarHBondContact OG1-CG2 3.4Å; L238-V292 HydrophobicContact CD1-CB 4.45Å; L238-V292 HydrophobicContact CD1-CG1 3.81Å; H247-V292 HydrophobicContact CB-CB 4.36Å; S284-V292 WeakPolarHBondContact O-CA 3.2Å; I285-V292 HydrophobicContact CG1-CG1 4.48Å; I285-V292 HydrophobicContact CG1-CG2 4.24Å
293E94.1Very high92.2Very high127 Ų12763 Ų6359%0.59335%0.353SS*.EExtended strand (participates in β ladder)trans-106.6148.1173.3-64.3-174.6175.100110.3L283 S284L283-E293 WeakPolarHBondContact CA-O 3.42Å; S284-E293 PolarHBondContact N-O 2.87Å; S284-E293 PolarHBondContact O-N 2.87Å
294I97.8Very high91.9Very high31 Ų3170.9 Ų70.916%0.15940%0.395CS..EExtended strand (participates in β ladder)trans-127.9121178.1179.7168.5000109.4I236 L238 A248 V250 L269 W281 H282 L283I236-I294 HydrophobicContact CG2-CD1 4.41Å; L238-I294 HydrophobicContact CD1-CB 3.97Å; L238-I294 HydrophobicContact CD1-CG2 4.03Å; A248-I294 HydrophobicContact CB-CG2 4.05Å; V250-I294 HydrophobicContact CG2-CD1 4.24Å; V250-I294 HydrophobicContact CG2-CG2 3.39Å; L269-I294 HydrophobicContact CD2-CD1 3.93Å; W281-I294 HydrophobicContact CB-CD1 4.06Å; W281-I294 HydrophobicContact CB-CG1 3.84Å; W281-I294 HydrophobicContact CD2-CD1 4.12Å; W281-I294 HydrophobicContact CD2-CG1 4.28Å; W281-I294 HydrophobicContact CE3-CD1 4.17Å; W281-I294 HydrophobicContact CE3-CG1 3.99Å; W281-I294 HydrophobicContact CG-CD1 4.05Å; W281-I294 HydrophobicContact CG-CG1 4.23Å; H282-I294 WeakPolarHBondContact O-CA 3.45Å; L283-I294 HydrophobicContact CD2-CB 3.76Å; L283-I294 HydrophobicContact CD2-CD1 3.93Å; L283-I294 HydrophobicContact CD2-CG1 3.77Å
295A97.9Very high91.9Very high50 Ų5069.4 Ų69.441%0.41338%0.384SS..EExtended strand (participates in β ladder)trans-118.6129.1-179.200000110.5W281 H282 L297W281-A295 CarbonylContact C-O 3.56Å; W281-A295 WeakPolarHBondContact CA-O 3.3Å; H282-A295 PolarHBondContact N-O 3.39Å; H282-A295 PolarHBondContact O-N 2.78Å; A295-L297 PolarHBondContact O-N 3.15Å
296H97.8Very high92.2Very high87 Ų8769.8 Ų69.840%0.40339%0.385SS..EExtended strand (participates in β ladder)trans-68.1129.2173.5178.6-96.5000110.5W281 H298W281-H296 HydrophobicContact CE3-CB 3.7Å; W281-H296 HydrophobicContact CH2-CB 4.39Å; W281-H296 AromaticContact CH2-CD2 3.96Å; W281-H296 HydrophobicContact CZ3-CB 3.57Å; W281-H296 AromaticContact CZ3-CD2 3.95Å; H296-H298 PolarHBondContact NE2-O 2.77Å
297L96.5Very high92.6Very high100 Ų10067.6 Ų67.652%0.52437%0.372SS..EExtended strand (participates in β ladder)trans-107.7-41.3176.8-65.9-173.9000112.7L268 V280 H282 A295L268-L297 HydrophobicContact CD2-CD1 3.45Å; L268-L297 VanDerWaalsContact CD2-CD1 3.45Å; V280-L297 PolarHBondContact O-N 3.39Å; H282-L297 HydrophobicContact CB-CD1 3.81Å; H282-L297 HydrophobicContact CB-CD2 4.14Å; H282-L297 HydrophobicContact CB-CG 3.93Å; A295-L297 PolarHBondContact O-N 3.15Å
298H95.8Very high93.2Very high26 Ų2662.6 Ų62.612%0.1234%0.339CS..EExtended strand (participates in β ladder)trans-160.1149-166.9179.368.9000112F2 R279 V280 H296 E300F2-H298 AromaticContact CD2-CD2 3.52Å; F2-H298 AromaticContact CD2-NE2 3.89Å; R279-H298 CarbonylContact C-O 3.6Å; R279-H298 WeakPolarHBondContact CA-O 3.43Å; V280-H298 HydrophobicContact CB-CB 4.21Å; V280-H298 PolarHBondContact N-O 2.79Å; V280-H298 PolarHBondContact O-N 3.45Å; H296-H298 PolarHBondContact NE2-O 2.77Å; H298-E300 IonicContact CE1-OE1 3.55Å; H298-E300 PolarHBondContact CE1-OE1 3.01Å; H298-E300 WeakPolarHBondContact NE2-CG 3.31Å; H298-E300 IonicContact NE2-OE1 3.07Å; H298-E300 PolarHBondContact NE2-OE1 2.79Å
299N95.6Very high93.8Very high77 Ų7755 Ų5541%0.41230%0.304SS..EExtended strand (participates in β ladder)trans-129.4146.7170.161.4-160.3000110.9F277 V278 R279F277-N299 HydrophobicContact CD1-CB 4.49Å; V278-N299 CarbonylContact O-C 3.55Å; V278-N299 WeakPolarHBondContact O-CA 3.09Å; R279-N299 HydrophobicContact CG-CB 4.05Å
300E96.4Very high94.5Very high47 Ų4750.6 Ų50.622%0.2228%0.277CS..EExtended strand (participates in β ladder)trans-128.2134.8168.4-76.1-62.5153.200109.2F277 V278 H298 F320 Y333F277-E300 WeakPolarHBondContact CA-O 3.35Å; V278-E300 PolarHBondContact N-O 3.31Å; V278-E300 PolarHBondContact O-N 2.93Å; H298-E300 IonicContact CE1-OE1 3.55Å; H298-E300 PolarHBondContact CE1-OE1 3.01Å; H298-E300 WeakPolarHBondContact NE2-CG 3.31Å; H298-E300 IonicContact NE2-OE1 3.07Å; H298-E300 PolarHBondContact NE2-OE1 2.79Å; E300-F320 HydrophobicContact CG-CZ 4.38Å; E300-Y333 HydrophobicContact CB-CE1 4.11Å; E300-Y333 HydrophobicContact CG-CD1 3.95Å; E300-Y333 HydrophobicContact CG-CE1 3.75Å
301C96.7Very high95.4Very high58 Ų5848.1 Ų48.139%0.39226%0.262SS..EExtended strand (participates in β ladder)trans-97.8115.4173.1-177.70000108.6F277 T303F277-C301 HydrophobicContact CD1-CB 4.12Å; F277-C301 HydrophobicContact CE1-CB 3.74Å; F277-C301 HydrophobicContact CZ-CB 4.18Å; C301-T303 PolarHBondContact O-N 2.88Å
302V95.6Very high95.9Very high6 Ų647 Ų474%0.03625%0.254CS..  trans-89.786.8170.3-169.60000107.1S276 V278 D304 T305 I307 V322 I331S276-V302 WeakPolarHBondContact CB-O 3.46Å; S276-V302 PolarHBondContact O-N 2.83Å; V278-V302 HydrophobicContact CG2-CG2 4.32Å; V302-D304 PolarHBondContact O-N 3.35Å; V302-T305 HydrophobicContact CG1-CG2 4.02Å; V302-T305 WeakPolarHBondContact O-CB 3.25Å; V302-T305 PolarHBondContact O-N 3.01Å; V302-I307 HydrophobicContact CB-CD1 4.37Å; V302-I307 HydrophobicContact CB-CG1 4.41Å; V302-I307 HydrophobicContact CG2-CD1 4.18Å; V302-I307 HydrophobicContact CG2-CG1 4.49Å; V302-V322 HydrophobicContact CG2-CG1 4.21Å; V302-I331 HydrophobicContact CG1-CD1 3.54Å
303T91.2Very high96Very high98 Ų9847.2 Ų47.260%0.60126%0.255SS*.THydrogen-bonded Turntrans-50.3137.2-171.749.90000112.7C301 T305C301-T303 PolarHBondContact O-N 2.88Å; T303-T305 PolarHBondContact O-N 2.83Å; T303-T305 VanDerWaalsContact O-N 3.13Å; T303-T305 PolarHBondContact O-OG1 2.91Å; T303-T305 VanDerWaalsContact O-OG1 3.05Å
304D89.8Confident95.9Very high170 Ų17042.2 Ų42.291%0.90923%0.232SC*.THydrogen-bonded Turntrans55.128.5175.4-53.1-44.8000114.4V302V302-D304 PolarHBondContact O-N 3.35Å
305T94.9Very high95.6Very high15 Ų1541.6 Ų41.69%0.09223%0.233CC..  trans-128122.3-175.6-57.50000111.1S276 V302 T303 I307 L327S276-T305 WeakPolarHBondContact CA-O 3.43Å; S276-T305 WeakPolarHBondContact CB-O 3.33Å; S276-T305 PolarHBondContact OG-O 2.62Å; V302-T305 HydrophobicContact CG1-CG2 4.02Å; V302-T305 WeakPolarHBondContact O-CB 3.25Å; V302-T305 PolarHBondContact O-N 3.01Å; T303-T305 PolarHBondContact O-N 2.83Å; T303-T305 VanDerWaalsContact O-N 3.13Å; T303-T305 PolarHBondContact O-OG1 2.91Å; T303-T305 VanDerWaalsContact O-OG1 3.05Å; T305-I307 PolarHBondContact O-N 3.46Å; T305-L327 HydrophobicContact CG2-CD2 4.29Å
306Q95.1Very high95.4Very high52 Ų5242.3 Ų42.324%0.24323%0.231CC..  trans-76.9108.4164.9172.8174.711.500108.5Y258 E274 C308 G324 Y325Y258-Q306 PolarHBondContact OH-NE2 3.23Å; E274-Q306 HydrophobicContact CB-CG 4.3Å; E274-Q306 HydrophobicContact CG-CG 3.99Å; Q306-C308 PolarHBondContact O-N 2.88Å; Q306-G324 CarbonylContact O-C 3.49Å; Q306-G324 WeakPolarHBondContact O-CA 3.11Å; Q306-Y325 PolarHBondContact O-N 2.59Å
307I97.3Very high95.2Very high0 Ų038.2 Ų38.20%021%0.211CC..EExtended strand (participates in β ladder)trans-73.4130.7-176.6-58.7157.6000109.6Y258 A272 A273 F277 V278 V302 T305 V322 T323Y258-I307 WeakPolarHBondContact CB-O 3.43Å; A272-I307 HydrophobicContact CB-CB 4.4Å; A272-I307 HydrophobicContact CB-CD1 4.47Å; A272-I307 HydrophobicContact CB-CG2 3.62Å; A273-I307 WeakPolarHBondContact O-CB 3.42Å; F277-I307 WeakPolarHBondContact O-CD1 3.37Å; V278-I307 HydrophobicContact CG2-CD1 3.53Å; V302-I307 HydrophobicContact CB-CD1 4.37Å; V302-I307 HydrophobicContact CB-CG1 4.41Å; V302-I307 HydrophobicContact CG2-CD1 4.18Å; V302-I307 HydrophobicContact CG2-CG1 4.49Å; T305-I307 PolarHBondContact O-N 3.46Å; I307-V322 HydrophobicContact CD1-CG1 4.45Å; I307-V322 HydrophobicContact CG1-CG1 4.11Å; I307-V322 HydrophobicContact CG2-CG1 3.62Å; I307-T323 WeakPolarHBondContact CG2-O 3.43Å
308C96.4Very high95.1Very high0 Ų040.2 Ų40.20%021%0.213CC..EExtended strand (participates in β ladder)trans-116.7-15.4177.861.20000113.2S15 N19 N20 Y258 Q306 T323 G324S15-C308 PolarHBondContact O-SG 3.3Å; S15-C308 VanDerWaalsContact O-SG 3.34Å; N19-C308 PolarHBondContact N-O 2.91Å; N20-C308 HydrophobicContact CB-CB 4.2Å; N20-C308 PolarHBondContact N-O 2.82Å; Y258-C308 HydrophobicContact CD1-CB 4.34Å; Q306-C308 PolarHBondContact O-N 2.88Å; C308-T323 PolarHBondContact N-O 2.86Å; C308-T323 VanDerWaalsContact N-O 3.14Å; C308-G324 VanDerWaalsContact SG-C 3.56Å
309G97.6Very high95.1Very high0 Ų039.3 Ų39.30%021%0.21CC..EExtended strand (participates in β ladder)trans-153.4136.117600000112.4V322 T323G309-V322 WeakPolarHBondContact O-CA 3.15Å; G309-T323 PolarHBondContact N-O 2.8Å; G309-T323 PolarHBondContact O-N 2.83Å
310A98.4Very high95.1Very high1 Ų135.6 Ų35.61%0.00819%0.19CC..EExtended strand (participates in β ladder)trans-143.6134.7172.700000109.9S259 L270 A272 A321 V322S259-A310 PolarHBondContact OG-N 2.81Å; S259-A310 PolarHBondContact OG-O 3.38Å; L270-A310 HydrophobicContact CD2-CB 3.74Å; L270-A310 HydrophobicContact CG-CB 4.31Å; A272-A310 HydrophobicContact CB-CB 3.43Å; A272-A310 VanDerWaalsContact CB-CB 3.43Å; A310-A321 CarbonylContact C-O 3.59Å; A310-A321 VanDerWaalsContact CA-O 3.27Å; A310-A321 WeakPolarHBondContact CA-O 3.23Å; A310-V322 HydrophobicContact CB-CG2 4.44Å
311K98.4Very high95.2Very high26 Ų2633.4 Ų33.411%0.11318%0.18CC..EExtended strand (participates in β ladder)trans-146.3141.3-177-72.2-61.1-175.8-1700111.8L21 V23 L260 D261 F320 A321L21-K311 HydrophobicContact CB-CG 4.32Å; L21-K311 HydrophobicContact CD2-CB 4.23Å; L21-K311 HydrophobicContact CD2-CG 4.43Å; L21-K311 HydrophobicContact CG-CB 4.36Å; L21-K311 HydrophobicContact CG-CG 4.15Å; L21-K311 WeakPolarHBondContact O-CE 3.12Å; L21-K311 WeakPolarHBondContact O-CG 3.47Å; V23-K311 HydrophobicContact CB-CB 4.48Å; V23-K311 HydrophobicContact CG2-CB 3.58Å; V23-K311 HydrophobicContact CG2-CG 4.17Å; L260-K311 PolarHBondContact O-NZ 3.35Å; D261-K311 HydrophobicContact CB-CD 3.84Å; D261-K311 WeakPolarHBondContact OD1-CD 3.16Å; D261-K311 IonicContact OD1-NZ 2.74Å; D261-K311 PolarHBondContact OD1-NZ 2.86Å; D261-K311 WeakPolarHBondContact OD2-CA 3.31Å; D261-K311 WeakPolarHBondContact OD2-CD 2.92Å; K311-F320 CarbonylContact O-C 3.49Å; K311-F320 VanDerWaalsContact O-CA 3.23Å; K311-F320 WeakPolarHBondContact O-CA 3.44Å; K311-F320 WeakPolarHBondContact O-CB 3.33Å; K311-A321 PolarHBondContact N-O 3.47Å; K311-A321 PolarHBondContact O-N 2.93Å
312F97.7Very high95.3Very high10 Ų1030.6 Ų30.64%0.04416%0.161CC..EExtended strand (participates in β ladder)trans-64.9146.6162.6-70-71.1000109.9D261 A263 L268 L270 V280 G317 A319 F320D261-F312 HydrophobicContact CB-CD2 4.28Å; D261-F312 PolarHBondContact OD2-N 3.26Å; A263-F312 HydrophobicContact CB-CD1 4.36Å; A263-F312 HydrophobicContact CB-CD2 3.8Å; A263-F312 HydrophobicContact CB-CE2 3.98Å; A263-F312 HydrophobicContact CB-CG 3.99Å; A263-F312 HydrophobicContact CB-CZ 4.36Å; L268-F312 HydrophobicContact CB-CE1 4.34Å; L268-F312 HydrophobicContact CB-CE2 4.22Å; L268-F312 HydrophobicContact CB-CZ 3.68Å; L268-F312 WeakPolarHBondContact O-CE2 3.27Å; L270-F312 HydrophobicContact CB-CD2 4.11Å; L270-F312 HydrophobicContact CB-CE2 3.52Å; L270-F312 HydrophobicContact CB-CZ 3.81Å; L270-F312 HydrophobicContact CD1-CZ 4.36Å; V280-F312 HydrophobicContact CG1-CZ 4.41Å; F312-G317 VanDerWaalsContact CD1-CA 3.5Å; F312-A319 CarbonylContact C-O 3.57Å; F312-A319 WeakPolarHBondContact CA-O 3.41Å; F312-F320 HydrophobicContact CD1-CB 3.89Å; F312-F320 HydrophobicContact CE1-CB 4.34Å
313C94.8Very high95.4Very high10 Ų1030.3 Ų30.37%0.06816%0.159CC..SBendtrans-90.8-8.9178.8-67.50000112.5A319C313-A319 HydrophobicContact CB-CB 3.98Å; C313-A319 PolarHBondContact N-O 2.82Å
314D91.7Very high95.7Very high22 Ų2225.7 Ų25.712%0.11813%0.131CC..SBendtrans-157162.5-176.363.290.2000111.2D316 G317 Y318 A319D314-D316 VanDerWaalsContact C-N 3.27Å; D314-D316 PolarHBondContact O-N 2.89Å; D314-D316 WeakPolarHBondContact OD1-CA 3.29Å; D314-D316 WeakPolarHBondContact OD1-CB 3.46Å; D314-D316 PolarHBondContact OD1-N 3.36Å; D314-D316 VanDerWaalsContact OD1-N 3.07Å; D314-G317 PolarHBondContact O-N 3.12Å; D314-G317 PolarHBondContact OD1-N 3.04Å; D314-Y318 PolarHBondContact OD1-N 3.43Å; D314-Y318 PolarHBondContact OD2-N 2.99Å; D314-A319 PolarHBondContact OD2-N 2.68Å; D314-A319 VanDerWaalsContact OD2-N 3.07Å
315G91.9Very high96Very high18 Ų1822.8 Ų22.819%0.18611%0.108CC..THydrogen-bonded Turntrans-74.2-14.1-175.400000115.1A263 F265A263-G315 CarbonylContact C-O 3.58Å; A263-G315 WeakPolarHBondContact CB-O 3.4Å; F265-G315 WeakPolarHBondContact CB-O 3.39Å; F265-G315 VanDerWaalsContact CD2-C 3.49Å; F265-G315 PolarHBondContact N-O 2.9Å
316D93.4Very high96.1Very high66 Ų6626.9 Ų26.935%0.35313%0.129SC..THydrogen-bonded Turntrans-91.5-15.5176.9-59.1-64.6000111.7S266 D314 Y318S266-D316 WeakPolarHBondContact CB-O 3.17Å; S266-D316 VanDerWaalsContact OG-C 3.28Å; S266-D316 PolarHBondContact OG-O 3.13Å; D314-D316 VanDerWaalsContact C-N 3.27Å; D314-D316 PolarHBondContact O-N 2.89Å; D314-D316 WeakPolarHBondContact OD1-CA 3.29Å; D314-D316 WeakPolarHBondContact OD1-CB 3.46Å; D314-D316 PolarHBondContact OD1-N 3.36Å; D314-D316 VanDerWaalsContact OD1-N 3.07Å; D316-Y318 HydrophobicContact CB-CD2 3.48Å; D316-Y318 VanDerWaalsContact CB-CD2 3.48Å; D316-Y318 HydrophobicContact CB-CE2 3.34Å; D316-Y318 HydrophobicContact CB-CG 4.45Å
317G94.5Very high96.1Very high0 Ų025.9 Ų25.90%013%0.125CC..  trans77.124.5179.600000113.7F2 F312 D314 A319F2-G317 WeakPolarHBondContact CE1-O 3.35Å; F2-G317 WeakPolarHBondContact CZ-O 3.39Å; F312-G317 VanDerWaalsContact CD1-CA 3.5Å; D314-G317 PolarHBondContact O-N 3.12Å; D314-G317 PolarHBondContact OD1-N 3.04Å; G317-A319 PolarHBondContact O-N 3.23Å
318Y94.2Very high96.1Very high142 Ų14228.6 Ų28.656%0.55714%0.144SC*.SBendtrans-63.9-29.5176.8-74.2-67.6000112.7D314 D316 Q335D314-Y318 PolarHBondContact OD1-N 3.43Å; D314-Y318 PolarHBondContact OD2-N 2.99Å; D316-Y318 HydrophobicContact CB-CD2 3.48Å; D316-Y318 VanDerWaalsContact CB-CD2 3.48Å; D316-Y318 HydrophobicContact CB-CE2 3.34Å; D316-Y318 HydrophobicContact CB-CG 4.45Å; Y318-Q335 WeakPolarHBondContact O-CB 3.32Å; Y318-Q335 PolarHBondContact O-N 3.29Å
319A94.9Very high96Very high7 Ų730.4 Ų30.46%0.05815%0.153CC..EExtended strand (participates in β ladder)trans-138150.1176.500000111.4F312 C313 D314 G317 Y333 V334F312-A319 CarbonylContact C-O 3.57Å; F312-A319 WeakPolarHBondContact CA-O 3.41Å; C313-A319 HydrophobicContact CB-CB 3.98Å; C313-A319 PolarHBondContact N-O 2.82Å; D314-A319 PolarHBondContact OD2-N 2.68Å; D314-A319 VanDerWaalsContact OD2-N 3.07Å; G317-A319 PolarHBondContact O-N 3.23Å; A319-Y333 CarbonylContact C-O 3.5Å; A319-Y333 WeakPolarHBondContact CA-O 3.5Å; A319-Y333 WeakPolarHBondContact CB-O 3.31Å; A319-V334 HydrophobicContact CB-CG2 3.82Å
320F97.2Very high96Very high0 Ų030.4 Ų30.40%015%0.153CC..EExtended strand (participates in β ladder)trans-134.1159.3167.568.2-96.2000111.3F2 L270 V278 V280 E300 K311 F312 V322 R332 Y333F2-F320 HydrophobicContact CB-CE1 3.96Å; F2-F320 AromaticContact CD1-CD1 3.65Å; F2-F320 HydrophobicContact CD1-CD1 3.65Å; F2-F320 AromaticContact CD1-CE1 3.47Å; F2-F320 HydrophobicContact CD1-CE1 3.47Å; F2-F320 VanDerWaalsContact CD1-CE1 3.47Å; F2-F320 AromaticContact CD2-CE1 3.95Å; F2-F320 HydrophobicContact CD2-CE1 3.95Å; F2-F320 AromaticContact CE1-CD1 3.65Å; F2-F320 HydrophobicContact CE1-CD1 3.65Å; F2-F320 AromaticContact CE1-CE1 3.87Å; F2-F320 HydrophobicContact CE1-CE1 3.87Å; F2-F320 HydrophobicContact CE2-CE1 4.31Å; F2-F320 HydrophobicContact CG-CD1 4.17Å; F2-F320 AromaticContact CG-CE1 3.52Å; F2-F320 HydrophobicContact CG-CE1 3.52Å; F2-F320 HydrophobicContact CG-CZ 4.49Å; F2-F320 HydrophobicContact CZ-CD1 4.17Å; F2-F320 HydrophobicContact CZ-CE1 4.27Å; L270-F320 HydrophobicContact CD1-CB 4.5Å; L270-F320 HydrophobicContact CD1-CD1 4.28Å; L270-F320 HydrophobicContact CD1-CD2 4.2Å; L270-F320 HydrophobicContact CD1-CE2 4.5Å; L270-F320 HydrophobicContact CD1-CG 4.09Å; L270-F320 HydrophobicContact CD2-CB 3.89Å; L270-F320 HydrophobicContact CD2-CD2 4.27Å; L270-F320 HydrophobicContact CD2-CG 4.22Å; V278-F320 HydrophobicContact CB-CE2 4.46Å; V278-F320 HydrophobicContact CG1-CD2 4.39Å; V278-F320 HydrophobicContact CG1-CE2 3.87Å; V278-F320 HydrophobicContact CG1-CZ 4.3Å; V280-F320 HydrophobicContact CG2-CE1 4.09Å; E300-F320 HydrophobicContact CG-CZ 4.38Å; K311-F320 CarbonylContact O-C 3.49Å; K311-F320 VanDerWaalsContact O-CA 3.23Å; K311-F320 WeakPolarHBondContact O-CA 3.44Å; K311-F320 WeakPolarHBondContact O-CB 3.33Å; F312-F320 HydrophobicContact CD1-CB 3.89Å; F312-F320 HydrophobicContact CE1-CB 4.34Å; F320-V322 HydrophobicContact CD2-CG2 3.7Å; F320-V322 HydrophobicContact CE2-CG2 3.67Å; F320-R332 WeakPolarHBondContact O-CA 3.41Å; F320-Y333 AromaticContact CD2-CD2 3.97Å; F320-Y333 HydrophobicContact CD2-CD2 3.97Å; F320-Y333 HydrophobicContact CD2-CG 4.37Å; F320-Y333 HydrophobicContact CE1-CG 4.29Å; F320-Y333 AromaticContact CE2-CD2 3.31Å; F320-Y333 HydrophobicContact CE2-CD2 3.31Å; F320-Y333 HydrophobicContact CE2-CE2 4.06Å; F320-Y333 AromaticContact CE2-CG 3.61Å; F320-Y333 HydrophobicContact CE2-CG 3.61Å; F320-Y333 VanDerWaalsContact CZ-CB 3.42Å; F320-Y333 HydrophobicContact CZ-CD1 4.21Å; F320-Y333 AromaticContact CZ-CD2 3.78Å; F320-Y333 HydrophobicContact CZ-CD2 3.78Å; F320-Y333 AromaticContact CZ-CG 3.56Å; F320-Y333 HydrophobicContact CZ-CG 3.56Å; F320-Y333 PolarHBondContact N-O 3.03Å; F320-Y333 PolarHBondContact O-N 2.84Å
321A97.5Very high95.9Very high0 Ų030.7 Ų30.70%015%0.154CC..EExtended strand (participates in β ladder)trans-124.4148.4-17900000109.8L21 F34 A310 K311 I330 I331 R332L21-A321 HydrophobicContact CD2-CB 3.92Å; L21-A321 VanDerWaalsContact CD2-O 3.26Å; L21-A321 WeakPolarHBondContact CD2-O 3.3Å; F34-A321 HydrophobicContact CD1-CB 4.37Å; F34-A321 HydrophobicContact CE1-CB 3.78Å; A310-A321 CarbonylContact C-O 3.59Å; A310-A321 VanDerWaalsContact CA-O 3.27Å; A310-A321 WeakPolarHBondContact CA-O 3.23Å; K311-A321 PolarHBondContact N-O 3.47Å; K311-A321 PolarHBondContact O-N 2.93Å; A321-I330 HydrophobicContact CB-CG2 3.7Å; A321-I331 CarbonylContact C-O 3.53Å; A321-I331 VanDerWaalsContact CA-O 3.29Å; A321-I331 WeakPolarHBondContact CA-O 3.47Å; A321-R332 HydrophobicContact CB-CG 4.29Å
322V98.2Very high95.7Very high0 Ų030.3 Ų30.30%015%0.152CC..EExtended strand (participates in β ladder)trans-138.7140.9-175.9-169.10000109.3V278 V302 I307 G309 A310 F320 I330 I331 Y333V278-V322 HydrophobicContact CG2-CG1 3.94Å; V278-V322 HydrophobicContact CG2-CG2 3.83Å; V302-V322 HydrophobicContact CG2-CG1 4.21Å; I307-V322 HydrophobicContact CD1-CG1 4.45Å; I307-V322 HydrophobicContact CG1-CG1 4.11Å; I307-V322 HydrophobicContact CG2-CG1 3.62Å; G309-V322 WeakPolarHBondContact O-CA 3.15Å; A310-V322 HydrophobicContact CB-CG2 4.44Å; F320-V322 HydrophobicContact CD2-CG2 3.7Å; F320-V322 HydrophobicContact CE2-CG2 3.67Å; V322-I330 CarbonylContact O-C 3.46Å; V322-I330 WeakPolarHBondContact O-CA 3.37Å; V322-I331 PolarHBondContact N-O 2.8Å; V322-I331 PolarHBondContact O-N 3Å; V322-Y333 HydrophobicContact CG2-CD2 4.13Å; V322-Y333 HydrophobicContact CG2-CE2 4.03Å
323T97.9Very high95.6Very high0 Ų030.3 Ų30.30%015%0.152CC..EExtended strand (participates in β ladder)trans-136.7160167.1-163.20000110.1A14 N20 L21 V36 I307 C308 G309 E329A14-T323 HydrophobicContact CB-CG2 4.14Å; N20-T323 VanDerWaalsContact O-CG2 3.24Å; N20-T323 WeakPolarHBondContact O-CG2 3.49Å; L21-T323 HydrophobicContact CB-CG2 4.25Å; V36-T323 HydrophobicContact CG1-CG2 4.04Å; V36-T323 HydrophobicContact CG2-CG2 4.02Å; I307-T323 WeakPolarHBondContact CG2-O 3.43Å; C308-T323 PolarHBondContact N-O 2.86Å; C308-T323 VanDerWaalsContact N-O 3.14Å; G309-T323 PolarHBondContact N-O 2.8Å; G309-T323 PolarHBondContact O-N 2.83Å; T323-E329 PolarHBondContact OG1-O 2.97Å; T323-E329 VanDerWaalsContact OG1-O 3.11Å
324G97.4Very high95.6Very high0 Ų031.1 Ų31.10%016%0.157CC..EExtended strand (participates in β ladder)trans-139.6161.9-175.200000112.6A14 Q306 C308 D326 L327A14-G324 VanDerWaalsContact CB-O 3.27Å; A14-G324 WeakPolarHBondContact CB-O 3.49Å; Q306-G324 CarbonylContact O-C 3.49Å; Q306-G324 WeakPolarHBondContact O-CA 3.11Å; C308-G324 VanDerWaalsContact SG-C 3.56Å; G324-D326 PolarHBondContact O-N 2.74Å; G324-L327 WeakPolarHBondContact O-CB 3.15Å; G324-L327 PolarHBondContact O-N 3.27Å
325Y97.2Very high95.6Very high109 Ų10933.9 Ų33.943%0.42717%0.169SC..BIsolated β-bridgetrans-55.4131.3177.2179.9-129000110.4A14 A16 Q306 L327A14-Y325 WeakPolarHBondContact O-CD2 3.44Å; A16-Y325 HydrophobicContact CB-CD1 4.48Å; A16-Y325 HydrophobicContact CB-CD2 3.75Å; A16-Y325 HydrophobicContact CB-CE2 4.31Å; A16-Y325 HydrophobicContact CB-CG 3.86Å; Q306-Y325 PolarHBondContact O-N 2.59Å; Y325-L327 PolarHBondContact O-N 3.19Å
326D95.8Very high95Very high101 Ų10139 Ų3954%0.5420%0.201SC..THydrogen-bonded Turntrans60.86.3-174.9-73.7-18.9000116.5S13 A14 G324S13-D326 VanDerWaalsContact CB-CA 3.49Å; S13-D326 WeakPolarHBondContact CB-O 3.46Å; S13-D326 PolarHBondContact OG-OD1 2.95Å; A14-D326 PolarHBondContact O-N 2.82Å; G324-D326 PolarHBondContact O-N 2.74Å
327L96.3Very high95.1Very high31 Ų3137.6 Ų37.616%0.16219%0.194CC..  trans-82.3123.7172.3-167.666.8000110.9S13 A14 T305 G324 Y325 E329 I331S13-L327 CarbonylContact C-O 3.58Å; S13-L327 VanDerWaalsContact CA-O 3.25Å; S13-L327 WeakPolarHBondContact CA-O 3.49Å; A14-L327 PolarHBondContact N-O 2.89Å; A14-L327 VanDerWaalsContact N-O 3.15Å; T305-L327 HydrophobicContact CG2-CD2 4.29Å; G324-L327 WeakPolarHBondContact O-CB 3.15Å; G324-L327 PolarHBondContact O-N 3.27Å; Y325-L327 PolarHBondContact O-N 3.19Å; L327-E329 VanDerWaalsContact C-N 3.27Å; L327-E329 HydrophobicContact CD1-CG 3.84Å; L327-E329 HydrophobicContact CD2-CG 4.01Å; L327-E329 HydrophobicContact CG-CG 3.74Å; L327-E329 PolarHBondContact O-N 3.26Å; L327-I331 HydrophobicContact CD2-CD1 3.89Å; L327-I331 HydrophobicContact CD2-CG1 4.17Å
328S95.9Very high95.1Very high57 Ų5739.6 Ų39.640%0.39920%0.204SC..  trans-91.628.6177.664.80000113.4L10L10-S328 WeakPolarHBondContact CB-O 3.45Å; L10-S328 PolarHBondContact N-O 3.01Å
329E95.9Very high95.2Very high39 Ų3933.9 Ų33.918%0.18218%0.184CC..EExtended strand (participates in β ladder)trans-147.6161.317762.1176.8-16900112S7 I8 Q9 T323 L327 I331S7-E329 WeakPolarHBondContact CB-OE2 3.47Å; I8-E329 CarbonylContact O-C 3.53Å; I8-E329 VanDerWaalsContact O-CA 3.23Å; I8-E329 WeakPolarHBondContact O-CA 3.35Å; I8-E329 WeakPolarHBondContact O-CB 3.43Å; Q9-E329 PolarHBondContact NE2-OE2 3.33Å; T323-E329 PolarHBondContact OG1-O 2.97Å; T323-E329 VanDerWaalsContact OG1-O 3.11Å; L327-E329 VanDerWaalsContact C-N 3.27Å; L327-E329 HydrophobicContact CD1-CG 3.84Å; L327-E329 HydrophobicContact CD2-CG 4.01Å; L327-E329 HydrophobicContact CG-CG 3.74Å; L327-E329 PolarHBondContact O-N 3.26Å; E329-I331 HydrophobicContact CG-CG1 4.26Å
330I97.1Very high95.2Very high0 Ų035.5 Ų35.50%019%0.192CC..EExtended strand (participates in β ladder)trans-106.2115.9165.7-57.4172.7000106.7S7 I8 L10 L21 F34 V36 A321 V322S7-I330 CarbonylContact C-O 3.56Å; S7-I330 WeakPolarHBondContact CA-O 3.29Å; S7-I330 WeakPolarHBondContact CB-O 3.07Å; I8-I330 HydrophobicContact CB-CB 4.27Å; I8-I330 PolarHBondContact N-O 3.28Å; I8-I330 PolarHBondContact O-N 3.14Å; L10-I330 HydrophobicContact CD1-CG1 4.07Å; L10-I330 HydrophobicContact CD2-CD1 3.91Å; L10-I330 HydrophobicContact CD2-CG1 3.97Å; L10-I330 HydrophobicContact CG-CG1 4.15Å; L21-I330 HydrophobicContact CD1-CD1 4.09Å; L21-I330 HydrophobicContact CD1-CG1 4.49Å; L21-I330 HydrophobicContact CD1-CG2 4.49Å; F34-I330 HydrophobicContact CB-CD1 3.49Å; F34-I330 VanDerWaalsContact CB-CD1 3.49Å; F34-I330 HydrophobicContact CD1-CD1 4.16Å; F34-I330 HydrophobicContact CD1-CG2 4.48Å; F34-I330 HydrophobicContact CG-CD1 3.9Å; V36-I330 HydrophobicContact CG2-CD1 3.91Å; V36-I330 HydrophobicContact CG2-CG1 4.05Å; A321-I330 HydrophobicContact CB-CG2 3.7Å; V322-I330 CarbonylContact O-C 3.46Å; V322-I330 WeakPolarHBondContact O-CA 3.37Å
331I96.5Very high95.1Very high6 Ų637.7 Ų37.73%0.03120%0.204CC..EExtended strand (participates in β ladder)trans-83.3131.1176.2-56.6171.5000107.7K4 V302 A321 V322 L327 E329 Y333K4-I331 HydrophobicContact CD-CG2 3.81Å; K4-I331 HydrophobicContact CG-CG2 3.95Å; V302-I331 HydrophobicContact CG1-CD1 3.54Å; A321-I331 CarbonylContact C-O 3.53Å; A321-I331 VanDerWaalsContact CA-O 3.29Å; A321-I331 WeakPolarHBondContact CA-O 3.47Å; V322-I331 PolarHBondContact N-O 2.8Å; V322-I331 PolarHBondContact O-N 3Å; L327-I331 HydrophobicContact CD2-CD1 3.89Å; L327-I331 HydrophobicContact CD2-CG1 4.17Å; E329-I331 HydrophobicContact CG-CG1 4.26Å; I331-Y333 HydrophobicContact CB-CE2 4.16Å; I331-Y333 HydrophobicContact CG2-CD2 4.06Å; I331-Y333 HydrophobicContact CG2-CE2 3.35Å
332R94.8Very high94.9Very high19 Ų1940.2 Ų40.27%0.07222%0.217CC..EExtended strand (participates in β ladder)trans-111.1141.6177.5-70.4-172.864.1-154.4-1.7110.6K4 E5 I8 F320 A321K4-R332 WeakPolarHBondContact CA-O 3.22Å; E5-R332 HydrophobicContact CB-CB 4.37Å; E5-R332 PolarHBondContact N-O 3.25Å; I8-R332 VanDerWaalsContact CD1-CD 3.47Å; I8-R332 HydrophobicContact CD1-CG 4.17Å; F320-R332 WeakPolarHBondContact O-CA 3.41Å; A321-R332 HydrophobicContact CB-CG 4.29Å
333Y95.5Very high94.7Very high9 Ų943.1 Ų43.14%0.03523%0.233CC..EExtended strand (participates in β ladder)trans-125.9135.4176-67.3-94.8000108.5H3 K4 E300 A319 F320 V322 I331H3-Y333 WeakPolarHBondContact O-CA 3.37Å; K4-Y333 HydrophobicContact CB-CD1 4.18Å; K4-Y333 HydrophobicContact CB-CE1 3.91Å; E300-Y333 HydrophobicContact CB-CE1 4.11Å; E300-Y333 HydrophobicContact CG-CD1 3.95Å; E300-Y333 HydrophobicContact CG-CE1 3.75Å; A319-Y333 CarbonylContact C-O 3.5Å; A319-Y333 WeakPolarHBondContact CA-O 3.5Å; A319-Y333 WeakPolarHBondContact CB-O 3.31Å; F320-Y333 AromaticContact CD2-CD2 3.97Å; F320-Y333 HydrophobicContact CD2-CD2 3.97Å; F320-Y333 HydrophobicContact CD2-CG 4.37Å; F320-Y333 HydrophobicContact CE1-CG 4.29Å; F320-Y333 AromaticContact CE2-CD2 3.31Å; F320-Y333 HydrophobicContact CE2-CD2 3.31Å; F320-Y333 HydrophobicContact CE2-CE2 4.06Å; F320-Y333 AromaticContact CE2-CG 3.61Å; F320-Y333 HydrophobicContact CE2-CG 3.61Å; F320-Y333 VanDerWaalsContact CZ-CB 3.42Å; F320-Y333 HydrophobicContact CZ-CD1 4.21Å; F320-Y333 AromaticContact CZ-CD2 3.78Å; F320-Y333 HydrophobicContact CZ-CD2 3.78Å; F320-Y333 AromaticContact CZ-CG 3.56Å; F320-Y333 HydrophobicContact CZ-CG 3.56Å; F320-Y333 PolarHBondContact N-O 3.03Å; F320-Y333 PolarHBondContact O-N 2.84Å; V322-Y333 HydrophobicContact CG2-CD2 4.13Å; V322-Y333 HydrophobicContact CG2-CE2 4.03Å; I331-Y333 HydrophobicContact CB-CE2 4.16Å; I331-Y333 HydrophobicContact CG2-CD2 4.06Å; I331-Y333 HydrophobicContact CG2-CE2 3.35Å
334V94.1Very high94.4Very high28 Ų2846.4 Ų46.417%0.1725%0.251CS..EExtended strand (participates in β ladder)trans-127.5141.8-1791800000109.4F2 H3 E5 A319F2-V334 CarbonylContact C-O 3.59Å; F2-V334 VanDerWaalsContact CA-O 3.32Å; F2-V334 WeakPolarHBondContact CA-O 3.11Å; H3-V334 PolarHBondContact CE1-O 3.09Å; H3-V334 PolarHBondContact N-O 2.61Å; H3-V334 PolarHBondContact ND1-O 2.99Å; H3-V334 PolarHBondContact O-N 3.3Å; E5-V334 HydrophobicContact CG-CB 4.15Å; E5-V334 HydrophobicContact CG-CG2 3.71Å; E5-V334 WeakPolarHBondContact OE1-CG2 3.27Å; E5-V334 VanDerWaalsContact OE2-CG2 3.3Å; E5-V334 WeakPolarHBondContact OE2-CG2 3.21Å; A319-V334 HydrophobicContact CB-CG2 3.82Å
335Q91.1Very high94.2Very high79 Ų7950.3 Ų50.337%0.36927%0.272SS..EExtended strand (participates in β ladder)trans-75.3125.9176.1-172.4171.92.300110.2F2 Y318F2-Q335 HydrophobicContact CD1-CB 4.06Å; F2-Q335 HydrophobicContact CE1-CB 3.84Å; F2-Q335 HydrophobicContact CZ-CB 4.24Å; Y318-Q335 WeakPolarHBondContact O-CB 3.32Å; Y318-Q335 PolarHBondContact O-N 3.29Å
336S79.8Confident93.9Very high125 Ų12544.9 Ų44.987%0.87426%0.258SS*.  trans-73.60165.4660000111.9M1M1-S336 PolarHBondContact O-N 3.23Å; M1-S336 PolarHBondContact O-OG 2.51Å

Retrieved 336 of 336 residues in 714.6 ms (Link to these results)

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