A0A060VD05_HUMAN Loading...

MHC class I antigen

AlphaFold DB , UniProt , Accession A0A060VD05, Species HUMAN (Homo sapiens, Human), Gene HLA-A, Length 340 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
1S93.1Very high97.8Very high110 Ų11036.1 Ų36.177%0.76920%0.202SC*.  0158040.80000107.4V102S1-V102 VanDerWaalsContact CA-O 3.31Å; S1-V102 WeakPolarHBondContact CA-O 3.35Å; S1-V102 VanDerWaalsContact CB-O 3.28Å; S1-V102 WeakPolarHBondContact CB-O 3.47Å
2H96.7Very high97.8Very high33 Ų3334.5 Ų34.515%0.15320%0.195CC..EExtended strand (participates in β ladder)trans-136.2161.1179.7-63.8-78000111.1D28 D101 V102 L167 L171H2-D28 WeakPolarHBondContact CA-OD1 3.34Å; H2-D28 IonicContact CE1-OD2 3.05Å; H2-D28 IonicContact CG-OD2 3.3Å; H2-D28 IonicContact ND1-OD1 3.25Å; H2-D28 IonicContact ND1-OD2 3.48Å; H2-D28 PolarHBondContact ND1-OD2 2.66Å; H2-D101 CarbonylContact O-C 3.59Å; H2-D101 WeakPolarHBondContact O-CA 3.44Å; H2-V102 HydrophobicContact CB-CG2 3.97Å; H2-V102 PolarHBondContact N-O 3.04Å; H2-V102 PolarHBondContact O-N 3.49Å; H2-L167 HydrophobicContact CB-CD1 4.47Å; H2-L171 HydrophobicContact CB-CD1 3.44Å; H2-L171 VanDerWaalsContact CB-CD1 3.44Å; H2-L171 HydrophobicContact CB-CD2 4.21Å; H2-L171 HydrophobicContact CB-CG 4.47Å
3S97.9Very high97.6Very high23 Ų2336.9 Ų36.916%0.16120%0.199CC..EExtended strand (participates in β ladder)trans-138.2150.7179.665.90000111.9V27 D28 C100 D101S3-V27 CarbonylContact O-C 3.6Å; S3-V27 VanDerWaalsContact O-CA 3.31Å; S3-V27 WeakPolarHBondContact O-CA 3.43Å; S3-D28 PolarHBondContact N-OD1 3.29Å; S3-D28 PolarHBondContact O-N 3.39Å; S3-D28 PolarHBondContact OG-OD1 3.34Å; S3-C100 WeakPolarHBondContact CA-O 3.36Å; S3-D101 WeakPolarHBondContact CB-OD1 3.5Å
4M98.6Very high97.1Very high0 Ų038.1 Ų38.10%021%0.209CC..EExtended strand (participates in β ladder)trans-122123.8166-173.4172.758.100108.5Y6 Y26 V27 F32 G99 C100 C163 W166 L167 Y170M4-Y6 HydrophobicContact CE-CE2 4.07Å; M4-Y6 HydrophobicContact CG-CE2 4.03Å; M4-Y6 HydrophobicContact SD-CE2 3.89Å; M4-Y26 CarbonylContact C-O 3.6Å; M4-Y26 WeakPolarHBondContact CA-O 3.28Å; M4-V27 HydrophobicContact CG-CG2 4.42Å; M4-F32 HydrophobicContact CG-CE1 4.41Å; M4-F32 HydrophobicContact SD-CZ 4.34Å; M4-G99 CarbonylContact O-C 3.55Å; M4-G99 WeakPolarHBondContact O-CA 3.49Å; M4-C100 PolarHBondContact N-O 2.9Å; M4-C100 PolarHBondContact O-N 2.88Å; M4-C163 HydrophobicContact CE-CB 4.14Å; M4-C163 VanDerWaalsContact CE-O 3.27Å; M4-C163 WeakPolarHBondContact CE-O 3.27Å; M4-C163 WeakPolarHBondContact CE-SG 3.46Å; M4-W166 HydrophobicContact CE-CB 4.01Å; M4-W166 HydrophobicContact SD-CB 4.31Å; M4-L167 HydrophobicContact CB-CB 4.13Å; M4-L167 HydrophobicContact CB-CD1 4.01Å; M4-L167 HydrophobicContact CB-CD2 4.18Å; M4-L167 HydrophobicContact CB-CG 4.32Å; M4-Y170 HydrophobicContact SD-CD2 3.77Å; M4-Y170 HydrophobicContact SD-CE2 3.5Å; M4-Y170 VanDerWaalsContact SD-CE2 3.5Å
5R98.6Very high96.5Very high46 Ų4641.5 Ų41.517%0.17426%0.257CS..EExtended strand (participates in β ladder)trans-131.2135-178.1-56.2-62.5178.975.56111.1F7 G25 Y26 D101 Y112R5-F7 HydrophobicContact CB-CD2 4.45Å; R5-F7 HydrophobicContact CB-CE2 3.62Å; R5-F7 HydrophobicContact CB-CZ 3.97Å; R5-G25 CarbonylContact O-C 3.57Å; R5-G25 WeakPolarHBondContact O-CA 3.27Å; R5-Y26 PolarHBondContact N-O 2.89Å; R5-Y26 PolarHBondContact O-N 3.5Å; R5-D101 IonicContact CZ-OD1 2.78Å; R5-D101 IonicContact NE-OD1 2.69Å; R5-D101 PolarHBondContact NE-OD1 2.98Å; R5-D101 VanDerWaalsContact NH2-CG 3.27Å; R5-D101 IonicContact NH2-OD1 3.83Å; R5-D101 PolarHBondContact NH2-OD1 3.21Å; R5-D101 IonicContact NH2-OD2 3.35Å; R5-D101 PolarHBondContact NH2-OD2 3.43Å; R5-Y112 VanDerWaalsContact CZ-CE2 3.44Å; R5-Y112 VanDerWaalsContact NH2-CZ 3.27Å; R5-Y112 PolarHBondContact NH2-OH 2.91Å
6Y98.8Very high96.1Very high8 Ų852.4 Ų52.43%0.03129%0.292CS..EExtended strand (participates in β ladder)trans-112.5137.9170-68.2-88.8000109.8M4 F8 V24 F32 V33 M97 Y98M4-Y6 HydrophobicContact CE-CE2 4.07Å; M4-Y6 HydrophobicContact CG-CE2 4.03Å; M4-Y6 HydrophobicContact SD-CE2 3.89Å; Y6-F8 HydrophobicContact CD1-CE1 4.33Å; Y6-F8 HydrophobicContact CG-CE1 4.5Å; Y6-V24 CarbonylContact C-O 3.55Å; Y6-V24 WeakPolarHBondContact CA-O 3.37Å; Y6-F32 AromaticContact CE1-CZ 3.85Å; Y6-F32 HydrophobicContact CE1-CZ 3.85Å; Y6-F32 AromaticContact CZ-CZ 3.69Å; Y6-F32 WeakPolarHBondContact OH-CZ 3.49Å; Y6-V33 HydrophobicContact CE1-CG2 3.96Å; Y6-M97 WeakPolarHBondContact O-CA 3.37Å; Y6-Y98 HydrophobicContact CD2-CD2 4.41Å; Y6-Y98 AromaticContact CD2-CE2 3.62Å; Y6-Y98 HydrophobicContact CD2-CE2 3.62Å; Y6-Y98 AromaticContact CD2-CZ 3.7Å; Y6-Y98 HydrophobicContact CE2-CE2 4.37Å; Y6-Y98 HydrophobicContact CG-CE1 4.28Å; Y6-Y98 HydrophobicContact CG-CE2 4.15Å; Y6-Y98 AromaticContact CG-CZ 3.75Å; Y6-Y98 PolarHBondContact N-O 3.39Å; Y6-Y98 PolarHBondContact O-N 3.26Å; Y6-Y98 VanDerWaalsContact O-N 3.11Å
7F98.8Very high95.8Very high83 Ų8352.9 Ų52.936%0.36431%0.312SS..EExtended strand (participates in β ladder)trans-124.8118.4178.2-57-97.5000109.3R5 A23 V24 Y26 R96 M97R5-F7 HydrophobicContact CB-CD2 4.45Å; R5-F7 HydrophobicContact CB-CE2 3.62Å; R5-F7 HydrophobicContact CB-CZ 3.97Å; F7-A23 WeakPolarHBondContact O-CA 3.41Å; F7-V24 HydrophobicContact CB-CG2 3.82Å; F7-V24 HydrophobicContact CD2-CG2 4.3Å; F7-V24 HydrophobicContact CG-CG2 4.5Å; F7-V24 PolarHBondContact N-O 2.88Å; F7-V24 PolarHBondContact O-N 3.3Å; F7-Y26 HydrophobicContact CD2-CD2 4.16Å; F7-Y26 HydrophobicContact CE2-CD2 4.18Å; F7-R96 WeakPolarHBondContact CA-O 3.29Å; F7-M97 HydrophobicContact CD1-CB 3.92Å; F7-M97 HydrophobicContact CD1-CG 3.63Å; F7-M97 HydrophobicContact CE1-CB 4.08Å; F7-M97 HydrophobicContact CE1-CG 3.38Å; F7-M97 HydrophobicContact CG-CG 4.41Å; F7-M97 HydrophobicContact CZ-CG 3.97Å
8F98.6Very high95.6Very high4 Ų457.5 Ų57.52%0.01833%0.33CS..EExtended strand (participates in β ladder)trans-112.7134177.7-58.2-13.4000109.2Y6 F21 I22 A23 H69 H73 Q95 R96 Y98Y6-F8 HydrophobicContact CD1-CE1 4.33Å; Y6-F8 HydrophobicContact CG-CE1 4.5Å; F8-F21 HydrophobicContact CB-CE2 3.87Å; F8-F21 HydrophobicContact CB-CZ 3.77Å; F8-F21 HydrophobicContact CD1-CZ 4.35Å; F8-F21 AromaticContact CD2-CZ 3.92Å; F8-F21 HydrophobicContact CD2-CZ 3.92Å; F8-F21 HydrophobicContact CG-CE2 4.34Å; F8-F21 AromaticContact CG-CZ 3.77Å; F8-F21 HydrophobicContact CG-CZ 3.77Å; F8-I22 CarbonylContact C-O 3.49Å; F8-I22 WeakPolarHBondContact CA-O 3.26Å; F8-A23 HydrophobicContact CD1-CB 3.26Å; F8-A23 HydrophobicContact CE1-CB 3.48Å; F8-A23 VanDerWaalsContact CE1-CB 3.48Å; F8-A23 HydrophobicContact CG-CB 4.17Å; F8-A23 HydrophobicContact CZ-CB 4.48Å; F8-H69 HydrophobicContact CD2-CB 4.14Å; F8-H69 HydrophobicContact CE2-CB 3.87Å; F8-H69 AromaticContact CE2-CD2 3.48Å; F8-H69 VanDerWaalsContact CE2-CD2 3.48Å; F8-H69 WeakPolarHBondContact CE2-CD2 3.45Å; F8-H69 AromaticContact CE2-CG 3.66Å; F8-H73 AromaticContact CD2-NE2 3.99Å; F8-Q95 CarbonylContact O-C 3.58Å; F8-Q95 VanDerWaalsContact O-CA 3.28Å; F8-Q95 WeakPolarHBondContact O-CA 3.37Å; F8-R96 HydrophobicContact CB-CB 4.34Å; F8-R96 PolarHBondContact N-O 2.82Å; F8-R96 PolarHBondContact O-N 2.61Å; F8-Y98 HydrophobicContact CD2-CE1 4.22Å; F8-Y98 HydrophobicContact CE1-CE1 4.17Å; F8-Y98 AromaticContact CE2-CE1 3.56Å; F8-Y98 HydrophobicContact CE2-CE1 3.56Å; F8-Y98 AromaticContact CZ-CE1 3.53Å; F8-Y98 HydrophobicContact CZ-CE1 3.53Å; F8-Y98 AromaticContact CZ-CZ 3.89Å; F8-Y98 VanDerWaalsContact CZ-OH 3.3Å; F8-Y98 WeakPolarHBondContact CZ-OH 3.42Å
9T98.7Very high95.6Very high41 Ų4155.6 Ų55.625%0.25232%0.32SS..EExtended strand (participates in β ladder)trans-131.3125.6177.4-58.10000108.9V11 F21 I22 T93 V94 Q95T9-V11 HydrophobicContact CG2-CG2 4.05Å; T9-F21 WeakPolarHBondContact O-CA 3.49Å; T9-I22 PolarHBondContact N-O 2.97Å; T9-I22 PolarHBondContact O-N 3.42Å; T9-T93 HydrophobicContact CG2-CG2 3.95Å; T9-V94 WeakPolarHBondContact CA-O 3.34Å; T9-Q95 HydrophobicContact CG2-CG 4.01Å
10S98.4Very high95.7Very high1 Ų157.3 Ų57.31%0.00732%0.321CS..EExtended strand (participates in β ladder)trans-116.8126.4172.7-165.20000109.7R20 L77 T93 V94S10-R20 CarbonylContact C-O 3.59Å; S10-R20 VanDerWaalsContact CA-O 3.25Å; S10-R20 WeakPolarHBondContact CA-O 3.29Å; S10-L77 VanDerWaalsContact OG-CD1 3.27Å; S10-L77 WeakPolarHBondContact OG-CD1 3.23Å; S10-T93 CarbonylContact O-C 3.52Å; S10-T93 VanDerWaalsContact O-CA 3.31Å; S10-T93 WeakPolarHBondContact O-CA 3.39Å; S10-V94 PolarHBondContact N-O 2.98Å; S10-V94 PolarHBondContact O-N 3.28Å
11V98.1Very high95.8Very high48 Ų4854.6 Ų54.629%0.29131%0.305SS..EExtended strand (participates in β ladder)trans-119.4113.8179.6-173.60000108.6T9 P19 R20 T93T9-V11 HydrophobicContact CG2-CG2 4.05Å; V11-P19 CarbonylContact O-C 3.57Å; V11-P19 WeakPolarHBondContact O-CA 3.35Å; V11-P19 WeakPolarHBondContact O-CB 3.39Å; V11-R20 PolarHBondContact N-O 2.88Å; V11-R20 PolarHBondContact O-N 3.48Å; V11-T93 HydrophobicContact CG2-CG2 4.13Å
12S96.9Very high96.1Very high17 Ų1751.4 Ų51.412%0.11928%0.279CS..  trans-66.5148.4175.2550000111.5S91 H92S12-S91 PolarHBondContact O-OG 2.92Å; S12-H92 PolarHBondContact N-O 2.85Å; S12-H92 WeakPolarHBondContact OG-CA 3.49Å; S12-H92 PolarHBondContact OG-N 2.89Å; S12-H92 PolarHBondContact OG-O 2.93Å
13R95.3Very high96.1Very high66 Ų6649.9 Ų49.925%0.24927%0.272CS..  trans-13371-173.9-67.9-173.7-80.5-163.2-7110.9G15 R16 E18 R20 D38R13-G15 PolarHBondContact O-N 3.1Å; R13-R16 HydrophobicContact CB-CB 4.11Å; R13-R16 PolarHBondContact O-N 2.9Å; R13-E18 VanDerWaalsContact CZ-O 3.31Å; R13-E18 PolarHBondContact NE-O 3.33Å; R13-E18 PolarHBondContact NH2-O 2.87Å; R13-R20 VanDerWaalsContact CZ-CB 3.4Å; R13-R20 VanDerWaalsContact NH2-CB 3.33Å; R13-R20 VanDerWaalsContact NH2-N 3.18Å; R13-D38 IonicContact CZ-OD1 3.08Å; R13-D38 IonicContact CZ-OD2 3.73Å; R13-D38 IonicContact NH1-OD1 2.77Å; R13-D38 PolarHBondContact NH1-OD1 3.25Å; R13-D38 IonicContact NH1-OD2 3.37Å; R13-D38 PolarHBondContact NH1-OD2 2.94Å; R13-D38 IonicContact NH2-OD1 3.98Å; R13-D38 PolarHBondContact NH2-OD1 2.81Å; R13-D38 IonicContact NH2-OD2 2.91Å
14P90.4Very high96.2Very high53 Ų5349.9 Ų49.934%0.34427%0.272SS..THydrogen-bonded Turntrans-50.8125.2-177.4-25.933.7000112.2R16 E88 G90P14-R16 PolarHBondContact O-N 3.42Å; P14-E88 WeakPolarHBondContact CB-O 3.3Å; P14-E88 WeakPolarHBondContact CG-O 3.45Å; P14-G90 WeakPolarHBondContact CG-O 3.38Å
15G88.3Confident96.2Very high90 Ų9049.9 Ų49.993%0.92827%0.272SS*.THydrogen-bonded Turntrans70.77.2-178.900000115.9R13R13-G15 PolarHBondContact O-N 3.1Å
16R91.1Very high96.2Very high216 Ų21651 Ų5182%0.81528%0.276SS*.SBendtrans-128.524.5-177.8-61.1-178.1-178.3-174.50.5113.5R13 P14R13-R16 HydrophobicContact CB-CB 4.11Å; R13-R16 PolarHBondContact O-N 2.9Å; P14-R16 PolarHBondContact O-N 3.42Å
17G90Very high96.2Very high61 Ų6150.7 Ų50.763%0.62928%0.275SS*.SBendtrans97-160.8177.300000113.9
18E92.2Very high96Very high135 Ų13548.1 Ų48.163%0.63127%0.265SS*.SBendtrans-67.7152.8179.8-67.5-168.7168.400112.1R13R13-E18 VanDerWaalsContact CZ-O 3.31Å; R13-E18 PolarHBondContact NE-O 3.33Å; R13-E18 PolarHBondContact NH2-O 2.87Å
19P95.2Very high95.8Very high22 Ų2251.1 Ų51.114%0.14328%0.281CS..PPolyproline II helixtrans-50.7141.9170.7-26.636000112.4V11 L74 L77V11-P19 CarbonylContact O-C 3.57Å; V11-P19 WeakPolarHBondContact O-CA 3.35Å; V11-P19 WeakPolarHBondContact O-CB 3.39Å; P19-L74 HydrophobicContact CG-CD1 3.53Å; P19-L77 HydrophobicContact CB-CD1 3.63Å; P19-L77 HydrophobicContact CG-CD1 3.68Å
20R97.6Very high95.7Very high89 Ų8950.2 Ų50.234%0.33628%0.276SS..EExtended strand (participates in β ladder)trans-79125.5172.1-165.4173.2175.2-178.1-2.9108.7S10 V11 R13 I22 D36 D38S10-R20 CarbonylContact C-O 3.59Å; S10-R20 VanDerWaalsContact CA-O 3.25Å; S10-R20 WeakPolarHBondContact CA-O 3.29Å; V11-R20 PolarHBondContact N-O 2.88Å; V11-R20 PolarHBondContact O-N 3.48Å; R13-R20 VanDerWaalsContact CZ-CB 3.4Å; R13-R20 VanDerWaalsContact NH2-CB 3.33Å; R13-R20 VanDerWaalsContact NH2-N 3.18Å; R20-I22 HydrophobicContact CG-CG1 4.26Å; R20-D36 IonicContact CZ-OD1 2.7Å; R20-D36 IonicContact CZ-OD2 3.5Å; R20-D36 IonicContact NE-OD1 3.49Å; R20-D36 PolarHBondContact NE-OD1 3.3Å; R20-D36 VanDerWaalsContact NE-OD1 3.08Å; R20-D36 IonicContact NE-OD2 2.72Å; R20-D36 IonicContact NH2-OD1 3.71Å; R20-D36 PolarHBondContact NH2-OD1 2.91Å; R20-D36 IonicContact NH2-OD2 3.64Å; R20-D36 PolarHBondContact NH2-OD2 3.45Å; R20-D38 VanDerWaalsContact CD-OD2 3.3Å; R20-D38 WeakPolarHBondContact CD-OD2 3.19Å; R20-D38 IonicContact NE-OD2 3.57Å; R20-D38 PolarHBondContact NE-OD2 3.36Å
21F98.4Very high95.7Very high0 Ų052.4 Ų52.40%029%0.286CS..EExtended strand (participates in β ladder)trans-111.6124.5173.7-176.7-94.4000110.5F8 T9 A23 F35 S37 V66 H69 S70 H73F8-F21 HydrophobicContact CB-CE2 3.87Å; F8-F21 HydrophobicContact CB-CZ 3.77Å; F8-F21 HydrophobicContact CD1-CZ 4.35Å; F8-F21 AromaticContact CD2-CZ 3.92Å; F8-F21 HydrophobicContact CD2-CZ 3.92Å; F8-F21 HydrophobicContact CG-CE2 4.34Å; F8-F21 AromaticContact CG-CZ 3.77Å; F8-F21 HydrophobicContact CG-CZ 3.77Å; T9-F21 WeakPolarHBondContact O-CA 3.49Å; F21-A23 HydrophobicContact CE1-CB 3.78Å; F21-A23 HydrophobicContact CZ-CB 4.22Å; F21-F35 AromaticContact CD1-CD1 3.83Å; F21-F35 HydrophobicContact CD1-CD1 3.83Å; F21-F35 AromaticContact CD1-CE1 3.88Å; F21-F35 HydrophobicContact CD1-CE1 3.88Å; F21-F35 HydrophobicContact CE1-CD1 4.22Å; F21-S37 PolarHBondContact N-OG 2.96Å; F21-S37 PolarHBondContact O-N 3.49Å; F21-S37 PolarHBondContact O-OG 2.93Å; F21-V66 HydrophobicContact CE1-CG2 3.69Å; F21-H69 HydrophobicContact CZ-CB 4.19Å; F21-S70 VanDerWaalsContact CB-OG 3.3Å; F21-S70 WeakPolarHBondContact CB-OG 3.5Å; F21-S70 WeakPolarHBondContact CG-OG 3.38Å; F21-H73 HydrophobicContact CD2-CB 4.08Å; F21-H73 HydrophobicContact CE2-CB 4.08Å; F21-H73 AromaticContact CE2-CD2 3.9Å; F21-H73 AromaticContact CE2-CG 3.68Å; F21-H73 AromaticContact CE2-ND1 3.8Å
22I98.6Very high95.7Very high43 Ų4350.1 Ų50.122%0.22127%0.272CS..EExtended strand (participates in β ladder)trans-122.3131.5175.6-57.3174.5000107.8F8 T9 R20 V24 F35F8-I22 CarbonylContact C-O 3.49Å; F8-I22 WeakPolarHBondContact CA-O 3.26Å; T9-I22 PolarHBondContact N-O 2.97Å; T9-I22 PolarHBondContact O-N 3.42Å; R20-I22 HydrophobicContact CG-CG1 4.26Å; I22-V24 HydrophobicContact CG2-CG1 4.38Å; I22-F35 WeakPolarHBondContact CA-O 3.32Å
23A98.7Very high95.7Very high1 Ų149.4 Ų49.41%0.00827%0.267CS..EExtended strand (participates in β ladder)trans-125.1137.8171.900000110.2F7 F8 F21 R34 F35 V66F7-A23 WeakPolarHBondContact O-CA 3.41Å; F8-A23 HydrophobicContact CD1-CB 3.26Å; F8-A23 HydrophobicContact CE1-CB 3.48Å; F8-A23 VanDerWaalsContact CE1-CB 3.48Å; F8-A23 HydrophobicContact CG-CB 4.17Å; F8-A23 HydrophobicContact CZ-CB 4.48Å; F21-A23 HydrophobicContact CE1-CB 3.78Å; F21-A23 HydrophobicContact CZ-CB 4.22Å; A23-R34 CarbonylContact O-C 3.52Å; A23-R34 VanDerWaalsContact O-CA 3.32Å; A23-R34 WeakPolarHBondContact O-CA 3.39Å; A23-F35 HydrophobicContact CB-CB 4.23Å; A23-F35 PolarHBondContact N-O 3.38Å; A23-F35 PolarHBondContact O-N 3.49Å; A23-V66 HydrophobicContact CB-CG2 3.6Å
24V98.8Very high95.9Very high24 Ų2449.6 Ų49.615%0.14527%0.268CS..EExtended strand (participates in β ladder)trans-134.6144.6174.8-62.50000109.9Y6 F7 I22 Y26 Q31 V33 R34Y6-V24 CarbonylContact C-O 3.55Å; Y6-V24 WeakPolarHBondContact CA-O 3.37Å; F7-V24 HydrophobicContact CB-CG2 3.82Å; F7-V24 HydrophobicContact CD2-CG2 4.3Å; F7-V24 HydrophobicContact CG-CG2 4.5Å; F7-V24 PolarHBondContact N-O 2.88Å; F7-V24 PolarHBondContact O-N 3.3Å; I22-V24 HydrophobicContact CG2-CG1 4.38Å; V24-Y26 HydrophobicContact CB-CE2 4.05Å; V24-Y26 HydrophobicContact CG2-CD2 4.34Å; V24-Y26 HydrophobicContact CG2-CE2 3.78Å; V24-Q31 VanDerWaalsContact CG1-NE2 3.25Å; V24-V33 WeakPolarHBondContact CA-O 3.33Å; V24-R34 HydrophobicContact CG1-CB 4.49Å; V24-R34 HydrophobicContact CG1-CG 4.21Å
25G98.6Very high96.3Very high0 Ų047.3 Ų47.30%025%0.252CS..EExtended strand (participates in β ladder)trans-121.9138.417600000110.7R5 Q31 F32 V33R5-G25 CarbonylContact O-C 3.57Å; R5-G25 WeakPolarHBondContact O-CA 3.27Å; G25-Q31 WeakPolarHBondContact O-CA 3.44Å; G25-Q31 WeakPolarHBondContact O-CG 3.44Å; G25-F32 WeakPolarHBondContact O-CD1 3.32Å; G25-F32 PolarHBondContact O-N 2.93Å; G25-V33 PolarHBondContact N-O 3.42Å; G25-V33 VanDerWaalsContact N-O 3.08Å; G25-V33 PolarHBondContact O-N 2.94Å
26Y98.5Very high96.8Very high70 Ų7044 Ų4428%0.27521%0.213SC..EExtended strand (participates in β ladder)trans-125.4141.3178.6-74.4-102.1000110.6M4 R5 F7 V24 T30 Q31M4-Y26 CarbonylContact C-O 3.6Å; M4-Y26 WeakPolarHBondContact CA-O 3.28Å; R5-Y26 PolarHBondContact N-O 2.89Å; R5-Y26 PolarHBondContact O-N 3.5Å; F7-Y26 HydrophobicContact CD2-CD2 4.16Å; F7-Y26 HydrophobicContact CE2-CD2 4.18Å; V24-Y26 HydrophobicContact CB-CE2 4.05Å; V24-Y26 HydrophobicContact CG2-CD2 4.34Å; V24-Y26 HydrophobicContact CG2-CE2 3.78Å; Y26-T30 WeakPolarHBondContact CA-O 3.34Å; Y26-T30 VanDerWaalsContact CD1-C 3.47Å; Y26-Q31 HydrophobicContact CD1-CB 3.98Å; Y26-Q31 VanDerWaalsContact CD1-N 3.29Å; Y26-Q31 HydrophobicContact CD2-CG 4.4Å; Y26-Q31 HydrophobicContact CE1-CB 3.49Å; Y26-Q31 VanDerWaalsContact CE1-CB 3.49Å; Y26-Q31 HydrophobicContact CE1-CG 4.19Å; Y26-Q31 HydrophobicContact CE2-CB 4.14Å; Y26-Q31 HydrophobicContact CE2-CG 3.9Å; Y26-Q31 HydrophobicContact CG-CB 4.48Å
27V98.3Very high97.1Very high0 Ų034.5 Ų34.50%018%0.18CC..EExtended strand (participates in β ladder)trans-108.7119.3157.1176.50000106.1S3 M4 D29 T30 F32 W50 L167 Y170 L171 L178S3-V27 CarbonylContact O-C 3.6Å; S3-V27 VanDerWaalsContact O-CA 3.31Å; S3-V27 WeakPolarHBondContact O-CA 3.43Å; M4-V27 HydrophobicContact CG-CG2 4.42Å; V27-D29 PolarHBondContact O-N 2.94Å; V27-T30 PolarHBondContact N-O 3.47Å; V27-T30 PolarHBondContact O-N 3.36Å; V27-F32 HydrophobicContact CG2-CD1 3.99Å; V27-F32 HydrophobicContact CG2-CE1 4.04Å; V27-W50 HydrophobicContact CB-CH2 4.49Å; V27-W50 HydrophobicContact CG2-CH2 3.98Å; V27-L167 HydrophobicContact CG1-CD1 3.63Å; V27-L167 HydrophobicContact CG2-CD1 4.24Å; V27-Y170 HydrophobicContact CG2-CD2 3.96Å; V27-L171 HydrophobicContact CG1-CD2 3.99Å; V27-L171 HydrophobicContact CG1-CG 4.26Å; V27-L178 HydrophobicContact CB-CD1 4.27Å; V27-L178 HydrophobicContact CB-CD2 4.15Å; V27-L178 HydrophobicContact CG1-CD1 3.9Å; V27-L178 HydrophobicContact CG1-CD2 4.12Å
28D95.9Very high97.4Very high29 Ų2935.4 Ų35.416%0.15517%0.17CC..THydrogen-bonded Turntrans48.4-123.6-166.2-54.5-39.4000110.6H2 S3H2-D28 WeakPolarHBondContact CA-OD1 3.34Å; H2-D28 IonicContact CE1-OD2 3.05Å; H2-D28 IonicContact CG-OD2 3.3Å; H2-D28 IonicContact ND1-OD1 3.25Å; H2-D28 IonicContact ND1-OD2 3.48Å; H2-D28 PolarHBondContact ND1-OD2 2.66Å; S3-D28 PolarHBondContact N-OD1 3.29Å; S3-D28 PolarHBondContact O-N 3.39Å; S3-D28 PolarHBondContact OG-OD1 3.34Å
29D94.6Very high97.6Very high67 Ų6730.4 Ų30.436%0.35815%0.152SC..THydrogen-bonded Turntrans-93.17.5-180-52.3-57000113.4V27 A210 F240V27-D29 PolarHBondContact O-N 2.94Å; D29-A210 HydrophobicContact CB-CB 4.14Å; D29-A210 VanDerWaalsContact CG-CB 3.48Å; D29-A210 VanDerWaalsContact OD2-CB 3.31Å; D29-A210 WeakPolarHBondContact OD2-CB 3.4Å; D29-A210 PolarHBondContact OD2-N 2.89Å; D29-F240 HydrophobicContact CB-CE2 3.82Å; D29-F240 HydrophobicContact CB-CZ 3.52Å
30T96.1Very high97.7Very high22 Ų2234.8 Ų34.814%0.13519%0.19CC..EExtended strand (participates in β ladder)trans-105.3115.7-175.8-59.90000111.7Y26 V27 F32 L178 Y208Y26-T30 WeakPolarHBondContact CA-O 3.34Å; Y26-T30 VanDerWaalsContact CD1-C 3.47Å; V27-T30 PolarHBondContact N-O 3.47Å; V27-T30 PolarHBondContact O-N 3.36Å; T30-F32 PolarHBondContact O-N 3.44Å; T30-L178 HydrophobicContact CG2-CD2 4.07Å; T30-Y208 PolarHBondContact OG1-OH 2.88Å
31Q97.3Very high97.5Very high48 Ų4833 Ų3322%0.22419%0.191CC..EExtended strand (participates in β ladder)trans-68.4130.2173.6-166.3-1801.300110.3V24 G25 Y26 V33 R47V24-Q31 VanDerWaalsContact CG1-NE2 3.25Å; G25-Q31 WeakPolarHBondContact O-CA 3.44Å; G25-Q31 WeakPolarHBondContact O-CG 3.44Å; Y26-Q31 HydrophobicContact CD1-CB 3.98Å; Y26-Q31 VanDerWaalsContact CD1-N 3.29Å; Y26-Q31 HydrophobicContact CD2-CG 4.4Å; Y26-Q31 HydrophobicContact CE1-CB 3.49Å; Y26-Q31 VanDerWaalsContact CE1-CB 3.49Å; Y26-Q31 HydrophobicContact CE1-CG 4.19Å; Y26-Q31 HydrophobicContact CE2-CB 4.14Å; Y26-Q31 HydrophobicContact CE2-CG 3.9Å; Y26-Q31 HydrophobicContact CG-CB 4.48Å; Q31-V33 PolarHBondContact NE2-O 3.34Å; Q31-V33 VanDerWaalsContact NE2-O 3.15Å; Q31-R47 HydrophobicContact CB-CB 4.49Å; Q31-R47 HydrophobicContact CG-CB 4.11Å; Q31-R47 HydrophobicContact CG-CG 4.37Å; Q31-R47 CarbonylContact O-C 3.56Å
32F98.1Very high97.3Very high0 Ų037.2 Ų37.20%021%0.211CC..EExtended strand (participates in β ladder)trans-119.5-23.2179.474.8-83000114.2M4 Y6 G25 V27 T30 R47 A48 W50 I51 Y170M4-F32 HydrophobicContact CG-CE1 4.41Å; M4-F32 HydrophobicContact SD-CZ 4.34Å; Y6-F32 AromaticContact CE1-CZ 3.85Å; Y6-F32 HydrophobicContact CE1-CZ 3.85Å; Y6-F32 AromaticContact CZ-CZ 3.69Å; Y6-F32 WeakPolarHBondContact OH-CZ 3.49Å; G25-F32 WeakPolarHBondContact O-CD1 3.32Å; G25-F32 PolarHBondContact O-N 2.93Å; V27-F32 HydrophobicContact CG2-CD1 3.99Å; V27-F32 HydrophobicContact CG2-CE1 4.04Å; T30-F32 PolarHBondContact O-N 3.44Å; F32-R47 PolarHBondContact O-N 2.86Å; F32-A48 HydrophobicContact CB-CB 4.26Å; F32-W50 HydrophobicContact CB-CH2 3.15Å; F32-W50 HydrophobicContact CB-CZ2 3.34Å; F32-W50 HydrophobicContact CB-CZ3 4.02Å; F32-W50 HydrophobicContact CD1-CH2 4.15Å; F32-W50 AromaticContact CD2-CH2 3.89Å; F32-W50 HydrophobicContact CD2-CH2 3.89Å; F32-W50 HydrophobicContact CD2-CZ3 4.24Å; F32-W50 AromaticContact CG-CH2 3.5Å; F32-W50 HydrophobicContact CG-CH2 3.5Å; F32-W50 VanDerWaalsContact CG-CH2 3.5Å; F32-W50 HydrophobicContact CG-CZ2 4.15Å; F32-W50 HydrophobicContact CG-CZ3 4.28Å; F32-I51 HydrophobicContact CD2-CD1 4.01Å; F32-I51 HydrophobicContact CD2-CG1 4.06Å; F32-I51 HydrophobicContact CE2-CD1 4.41Å; F32-I51 WeakPolarHBondContact O-CG2 3.49Å; F32-Y170 HydrophobicContact CD2-CE2 4.48Å; F32-Y170 HydrophobicContact CE2-CD2 4.26Å; F32-Y170 AromaticContact CE2-CE2 3.67Å; F32-Y170 HydrophobicContact CE2-CE2 3.67Å; F32-Y170 AromaticContact CE2-CZ 3.99Å; F32-Y170 HydrophobicContact CZ-CD2 4.3Å; F32-Y170 AromaticContact CZ-CE2 3.78Å; F32-Y170 HydrophobicContact CZ-CE2 3.78Å
33V98.5Very high97.3Very high1 Ų142.4 Ų42.41%0.00623%0.228CC..EExtended strand (participates in β ladder)trans-139.3153.9176.3-72.50000112.9Y6 V24 G25 Q31 M44 E45 W59Y6-V33 HydrophobicContact CE1-CG2 3.96Å; V24-V33 WeakPolarHBondContact CA-O 3.33Å; G25-V33 PolarHBondContact N-O 3.42Å; G25-V33 VanDerWaalsContact N-O 3.08Å; G25-V33 PolarHBondContact O-N 2.94Å; Q31-V33 PolarHBondContact NE2-O 3.34Å; Q31-V33 VanDerWaalsContact NE2-O 3.15Å; V33-M44 HydrophobicContact CB-CG 4.05Å; V33-M44 HydrophobicContact CB-SD 3.7Å; V33-M44 HydrophobicContact CG1-CG 4.08Å; V33-M44 HydrophobicContact CG1-SD 4.39Å; V33-M44 HydrophobicContact CG2-SD 4.11Å; V33-E45 WeakPolarHBondContact CA-O 3.27Å; V33-W59 HydrophobicContact CG1-CH2 4.09Å; V33-W59 HydrophobicContact CG1-CZ3 3.91Å
34R98.5Very high97.3Very high71 Ų7143 Ų4327%0.26823%0.23SC..EExtended strand (participates in β ladder)trans-144.8143.3172.4-179.5173.9170.4103.25.6111.4A23 V24 D36 M44 E45 R47A23-R34 CarbonylContact O-C 3.52Å; A23-R34 VanDerWaalsContact O-CA 3.32Å; A23-R34 WeakPolarHBondContact O-CA 3.39Å; V24-R34 HydrophobicContact CG1-CB 4.49Å; V24-R34 HydrophobicContact CG1-CG 4.21Å; R34-D36 IonicContact CZ-OD2 2.74Å; R34-D36 IonicContact NH2-OD2 3.56Å; R34-D36 PolarHBondContact NH2-OD2 3Å; R34-M44 VanDerWaalsContact C-SD 3.57Å; R34-E45 PolarHBondContact N-O 3.46Å; R34-E45 PolarHBondContact O-N 3.33Å; R34-R47 HydrophobicContact CB-CG 3.85Å
35F98.7Very high97.2Very high5 Ų544.5 Ų44.52%0.02224%0.236CC..EExtended strand (participates in β ladder)trans-130143.8164.9175.4-84.8000109.7F21 I22 A23 Q42 R43 M44 V66 K67F21-F35 AromaticContact CD1-CD1 3.83Å; F21-F35 HydrophobicContact CD1-CD1 3.83Å; F21-F35 AromaticContact CD1-CE1 3.88Å; F21-F35 HydrophobicContact CD1-CE1 3.88Å; F21-F35 HydrophobicContact CE1-CD1 4.22Å; I22-F35 WeakPolarHBondContact CA-O 3.32Å; A23-F35 HydrophobicContact CB-CB 4.23Å; A23-F35 PolarHBondContact N-O 3.38Å; A23-F35 PolarHBondContact O-N 3.49Å; F35-Q42 VanDerWaalsContact CE2-C 3.48Å; F35-Q42 HydrophobicContact CE2-CB 4.42Å; F35-Q42 WeakPolarHBondContact CE2-O 3.27Å; F35-Q42 HydrophobicContact CZ-CB 4.49Å; F35-R43 WeakPolarHBondContact CD2-O 3.45Å; F35-M44 HydrophobicContact CB-CE 4.31Å; F35-M44 HydrophobicContact CB-SD 3.97Å; F35-V66 HydrophobicContact CB-CG1 4.14Å; F35-V66 HydrophobicContact CB-CG2 3.81Å; F35-V66 HydrophobicContact CD1-CG1 4.34Å; F35-V66 HydrophobicContact CD1-CG2 3.95Å; F35-V66 HydrophobicContact CD2-CG1 3.39Å; F35-V66 HydrophobicContact CD2-CG2 4.34Å; F35-V66 HydrophobicContact CE2-CG1 3.79Å; F35-V66 HydrophobicContact CG-CB 4.44Å; F35-V66 HydrophobicContact CG-CG1 3.71Å; F35-V66 HydrophobicContact CG-CG2 3.78Å; F35-V66 HydrophobicContact CZ-CG1 4.43Å; F35-K67 HydrophobicContact CE2-CG 4.24Å; F35-K67 HydrophobicContact CZ-CG 4.19Å
36D98.4Very high97.2Very high20 Ų2046.6 Ų46.611%0.10725%0.25CC..EExtended strand (participates in β ladder)trans-138.6121.7174.7-161.8-31.6000108.9R20 R34 D38 A39R20-D36 IonicContact CZ-OD1 2.7Å; R20-D36 IonicContact CZ-OD2 3.5Å; R20-D36 IonicContact NE-OD1 3.49Å; R20-D36 PolarHBondContact NE-OD1 3.3Å; R20-D36 VanDerWaalsContact NE-OD1 3.08Å; R20-D36 IonicContact NE-OD2 2.72Å; R20-D36 IonicContact NH2-OD1 3.71Å; R20-D36 PolarHBondContact NH2-OD1 2.91Å; R20-D36 IonicContact NH2-OD2 3.64Å; R20-D36 PolarHBondContact NH2-OD2 3.45Å; R34-D36 IonicContact CZ-OD2 2.74Å; R34-D36 IonicContact NH2-OD2 3.56Å; R34-D36 PolarHBondContact NH2-OD2 3Å; D36-D38 PolarHBondContact O-N 3.41Å; D36-D38 PolarHBondContact OD1-N 3.02Å; D36-A39 HydrophobicContact CB-CB 4.13Å; D36-A39 WeakPolarHBondContact O-CB 3.35Å; D36-A39 PolarHBondContact O-N 3.28Å; D36-A39 VanDerWaalsContact O-N 3.1Å
37S97.6Very high97.2Very high16 Ų1648.2 Ų48.211%0.11226%0.255CS..THydrogen-bonded Turntrans-62.7-24.8-179.263.20000113F21 Q42F21-S37 PolarHBondContact N-OG 2.96Å; F21-S37 PolarHBondContact O-N 3.49Å; F21-S37 PolarHBondContact O-OG 2.93Å; S37-Q42 PolarHBondContact O-NE2 3.48Å
38D96.7Very high97Very high81 Ų8148.5 Ų48.543%0.43326%0.257SS..THydrogen-bonded Turntrans-85.8-9.9179.8-68.91.9000112.4R13 R20 D36R13-D38 IonicContact CZ-OD1 3.08Å; R13-D38 IonicContact CZ-OD2 3.73Å; R13-D38 IonicContact NH1-OD1 2.77Å; R13-D38 PolarHBondContact NH1-OD1 3.25Å; R13-D38 IonicContact NH1-OD2 3.37Å; R13-D38 PolarHBondContact NH1-OD2 2.94Å; R13-D38 IonicContact NH2-OD1 3.98Å; R13-D38 PolarHBondContact NH2-OD1 2.81Å; R13-D38 IonicContact NH2-OD2 2.91Å; R20-D38 VanDerWaalsContact CD-OD2 3.3Å; R20-D38 WeakPolarHBondContact CD-OD2 3.19Å; R20-D38 IonicContact NE-OD2 3.57Å; R20-D38 PolarHBondContact NE-OD2 3.36Å; D36-D38 PolarHBondContact O-N 3.41Å; D36-D38 PolarHBondContact OD1-N 3.02Å
39A96.8Very high97.1Very high30 Ų3052 Ų5225%0.24828%0.281CS..SBendtrans-71.1142.3176.800000110.8D36 S41 Q42D36-A39 HydrophobicContact CB-CB 4.13Å; D36-A39 WeakPolarHBondContact O-CB 3.35Å; D36-A39 PolarHBondContact O-N 3.28Å; D36-A39 VanDerWaalsContact O-N 3.1Å; A39-S41 PolarHBondContact O-N 2.92Å; A39-Q42 WeakPolarHBondContact O-CG 3.36Å; A39-Q42 PolarHBondContact O-N 3.42Å; A39-Q42 VanDerWaalsContact O-N 3.14Å
40A96Very high97.1Very high113 Ų11349.4 Ų49.493%0.93427%0.267SS*.THydrogen-bonded Turntrans-61.3-32.1-179.500000113.5
41S93.6Very high97.2Very high52 Ų5248.4 Ų48.436%0.36426%0.26SS..THydrogen-bonded Turntrans-70.5-34178.661.20000112.2A39 R43 E45A39-S41 PolarHBondContact O-N 2.92Å; S41-R43 WeakPolarHBondContact O-CG 3.06Å; S41-R43 PolarHBondContact O-N 2.86Å; S41-R43 VanDerWaalsContact O-N 3.17Å; S41-E45 PolarHBondContact OG-OE1 3.02Å
42Q95.6Very high97.2Very high89 Ų8952 Ų5242%0.41628%0.277SS..  trans38.249.7-167.5-60-171.7-24.200112F35 S37 A39 K67F35-Q42 VanDerWaalsContact CE2-C 3.48Å; F35-Q42 HydrophobicContact CE2-CB 4.42Å; F35-Q42 WeakPolarHBondContact CE2-O 3.27Å; F35-Q42 HydrophobicContact CZ-CB 4.49Å; S37-Q42 PolarHBondContact O-NE2 3.48Å; A39-Q42 WeakPolarHBondContact O-CG 3.36Å; A39-Q42 PolarHBondContact O-N 3.42Å; A39-Q42 VanDerWaalsContact O-N 3.14Å; Q42-K67 WeakPolarHBondContact O-CE 3.39Å; Q42-K67 PolarHBondContact O-NZ 3.47Å; Q42-K67 VanDerWaalsContact O-NZ 3.15Å
43R97.8Very high97.1Very high152 Ų15257.8 Ų57.857%0.57430%0.304SS*.SBendtrans-124.2156.6179.3-81.4175.4174.1161.6-0.4110.4F35 S41 E45 T63F35-R43 WeakPolarHBondContact CD2-O 3.45Å; S41-R43 WeakPolarHBondContact O-CG 3.06Å; S41-R43 PolarHBondContact O-N 2.86Å; S41-R43 VanDerWaalsContact O-N 3.17Å; R43-E45 PolarHBondContact O-N 3.47Å; R43-T63 HydrophobicContact CB-CG2 4.47Å; R43-T63 HydrophobicContact CG-CG2 4.08Å
44M98.3Very high97Very high12 Ų1258.4 Ų58.46%0.05931%0.307CS..  trans-69127.5166.4-17164.881.300108V33 R34 F35 W59 E62 T63 V66V33-M44 HydrophobicContact CB-CG 4.05Å; V33-M44 HydrophobicContact CB-SD 3.7Å; V33-M44 HydrophobicContact CG1-CG 4.08Å; V33-M44 HydrophobicContact CG1-SD 4.39Å; V33-M44 HydrophobicContact CG2-SD 4.11Å; R34-M44 VanDerWaalsContact C-SD 3.57Å; F35-M44 HydrophobicContact CB-CE 4.31Å; F35-M44 HydrophobicContact CB-SD 3.97Å; M44-W59 HydrophobicContact CB-CE3 4.32Å; M44-W59 HydrophobicContact CG-CE3 4.28Å; M44-W59 HydrophobicContact CG-CZ3 4.05Å; M44-E62 HydrophobicContact CB-CB 4.13Å; M44-E62 HydrophobicContact CG-CB 4.1Å; M44-T63 PolarHBondContact N-OG1 3.46Å; M44-V66 HydrophobicContact CE-CB 3.77Å; M44-V66 HydrophobicContact CE-CG1 4.01Å; M44-V66 HydrophobicContact CE-CG2 3.88Å
45E98.2Very high96.9Very high57 Ų5756.8 Ų56.827%0.26631%0.312SS..EExtended strand (participates in β ladder)trans-117141.6-175-62.4177.7172.700111V33 R34 S41 R43 R47V33-E45 WeakPolarHBondContact CA-O 3.27Å; R34-E45 PolarHBondContact N-O 3.46Å; R34-E45 PolarHBondContact O-N 3.33Å; S41-E45 PolarHBondContact OG-OE1 3.02Å; R43-E45 PolarHBondContact O-N 3.47Å; E45-R47 IonicContact OE2-CZ 3.7Å; E45-R47 IonicContact OE2-NH1 2.72Å; E45-R47 PolarHBondContact OE2-NH1 2.94Å; E45-R47 VanDerWaalsContact OE2-NH1 3.14Å; E45-R47 IonicContact OE2-NH2 3.63Å; E45-R47 PolarHBondContact OE2-NH2 3.47Å
46P98.1Very high96.8Very high44 Ų4461.4 Ų61.429%0.28634%0.343SS..EExtended strand (participates in β ladder)trans-67.1147.5175.329.3-35.5000111.2I51 E52 W59P46-I51 HydrophobicContact CB-CG2 3.62Å; P46-E52 HydrophobicContact CB-CG 3.76Å; P46-E52 HydrophobicContact CG-CG 4.02Å; P46-W59 HydrophobicContact CB-CH2 3.64Å; P46-W59 HydrophobicContact CB-CZ2 3.98Å; P46-W59 HydrophobicContact CG-CH2 4.3Å; P46-W59 HydrophobicContact CG-CZ2 4.46Å
47R97.3Very high96.8Very high104 Ų10468.9 Ų68.939%0.39238%0.377SS..  trans-130.61.8174-65.7-63.6-178.6-92.22.5113.5Q31 F32 R34 E45Q31-R47 HydrophobicContact CB-CB 4.49Å; Q31-R47 HydrophobicContact CG-CB 4.11Å; Q31-R47 HydrophobicContact CG-CG 4.37Å; Q31-R47 CarbonylContact O-C 3.56Å; F32-R47 PolarHBondContact O-N 2.86Å; R34-R47 HydrophobicContact CB-CG 3.85Å; E45-R47 IonicContact OE2-CZ 3.7Å; E45-R47 IonicContact OE2-NH1 2.72Å; E45-R47 PolarHBondContact OE2-NH1 2.94Å; E45-R47 VanDerWaalsContact OE2-NH1 3.14Å; E45-R47 IonicContact OE2-NH2 3.63Å; E45-R47 PolarHBondContact OE2-NH2 3.47Å
48A96.1Very high96.8Very high5 Ų569 Ų694%0.04138%0.375CS..SBendtrans-139.2144.2172.800000110.7F32 W50 I51F32-A48 HydrophobicContact CB-CB 4.26Å; A48-W50 VanDerWaalsContact C-N 3.27Å; A48-W50 HydrophobicContact CB-CD2 4.18Å; A48-W50 HydrophobicContact CB-CG 4.34Å; A48-W50 HydrophobicContact CB-CZ2 4Å; A48-W50 PolarHBondContact O-N 2.93Å; A48-I51 VanDerWaalsContact O-CG2 3.29Å; A48-I51 WeakPolarHBondContact O-CG2 3.24Å; A48-I51 PolarHBondContact O-N 3.5Å
49P96.1Very high96.9Very high102 Ų10267 Ų6766%0.66236%0.362SS*.G310 helixtrans-58.2-36.9-177.2-26.835.2000113.8I51 E52P49-I51 VanDerWaalsContact C-N 3.25Å; P49-I51 PolarHBondContact O-N 2.97Å; P49-E52 WeakPolarHBondContact O-CB 3.3Å; P49-E52 PolarHBondContact O-N 3.38Å; P49-E52 VanDerWaalsContact O-N 3.14Å
50W96.3Very high97Very high14 Ų1469.7 Ų69.75%0.05337%0.372CS..G310 helixtrans-70.5-14.5-175.955-105.2000114.6V27 F32 A48 Q53 Y170 G174 L178V27-W50 HydrophobicContact CB-CH2 4.49Å; V27-W50 HydrophobicContact CG2-CH2 3.98Å; F32-W50 HydrophobicContact CB-CH2 3.15Å; F32-W50 HydrophobicContact CB-CZ2 3.34Å; F32-W50 HydrophobicContact CB-CZ3 4.02Å; F32-W50 HydrophobicContact CD1-CH2 4.15Å; F32-W50 AromaticContact CD2-CH2 3.89Å; F32-W50 HydrophobicContact CD2-CH2 3.89Å; F32-W50 HydrophobicContact CD2-CZ3 4.24Å; F32-W50 AromaticContact CG-CH2 3.5Å; F32-W50 HydrophobicContact CG-CH2 3.5Å; F32-W50 VanDerWaalsContact CG-CH2 3.5Å; F32-W50 HydrophobicContact CG-CZ2 4.15Å; F32-W50 HydrophobicContact CG-CZ3 4.28Å; A48-W50 VanDerWaalsContact C-N 3.27Å; A48-W50 HydrophobicContact CB-CD2 4.18Å; A48-W50 HydrophobicContact CB-CG 4.34Å; A48-W50 HydrophobicContact CB-CZ2 4Å; A48-W50 PolarHBondContact O-N 2.93Å; W50-Q53 WeakPolarHBondContact O-CG 3.41Å; W50-Y170 HydrophobicContact CH2-CG 4.31Å; W50-Y170 AromaticContact CZ3-CD1 3.96Å; W50-Y170 HydrophobicContact CZ3-CD1 3.96Å; W50-Y170 HydrophobicContact CZ3-CD2 4.5Å; W50-Y170 AromaticContact CZ3-CG 3.8Å; W50-Y170 HydrophobicContact CZ3-CG 3.8Å; W50-G174 VanDerWaalsContact CG-CA 3.49Å; W50-L178 HydrophobicContact CD2-CD1 4.4Å; W50-L178 HydrophobicContact CH2-CD1 4.26Å; W50-L178 HydrophobicContact CZ2-CD1 3.8Å; W50-L178 HydrophobicContact CZ2-CD2 4.04Å; W50-L178 HydrophobicContact CZ2-CG 4.31Å
51I97.8Very high97.1Very high0 Ų064.9 Ų64.90%033%0.334CS..G310 helixtrans-88.6-19.8173.3-159.972.9000111.7F32 P46 A48 P49 Q53 E54 Y58 W59 Y170F32-I51 HydrophobicContact CD2-CD1 4.01Å; F32-I51 HydrophobicContact CD2-CG1 4.06Å; F32-I51 HydrophobicContact CE2-CD1 4.41Å; F32-I51 WeakPolarHBondContact O-CG2 3.49Å; P46-I51 HydrophobicContact CB-CG2 3.62Å; A48-I51 VanDerWaalsContact O-CG2 3.29Å; A48-I51 WeakPolarHBondContact O-CG2 3.24Å; A48-I51 PolarHBondContact O-N 3.5Å; P49-I51 VanDerWaalsContact C-N 3.25Å; P49-I51 PolarHBondContact O-N 2.97Å; I51-Q53 PolarHBondContact O-N 3.36Å; I51-Q53 VanDerWaalsContact O-N 3.13Å; I51-E54 HydrophobicContact CD1-CG 3.72Å; I51-E54 HydrophobicContact CG1-CG 4.14Å; I51-E54 WeakPolarHBondContact O-CB 3.34Å; I51-E54 WeakPolarHBondContact O-CG 3.48Å; I51-E54 PolarHBondContact O-N 2.92Å; I51-Y58 HydrophobicContact CD1-CE1 4.3Å; I51-Y58 HydrophobicContact CG1-CE1 4.17Å; I51-W59 HydrophobicContact CB-CH2 4.45Å; I51-W59 HydrophobicContact CG1-CH2 3.86Å; I51-W59 HydrophobicContact CG1-CZ2 4.06Å; I51-W59 HydrophobicContact CG2-CH2 3.78Å; I51-W59 HydrophobicContact CG2-CZ2 4.12Å; I51-W59 WeakPolarHBondContact O-CZ2 3.3Å; I51-Y170 HydrophobicContact CD1-CD1 3.66Å; I51-Y170 HydrophobicContact CD1-CE1 3.32Å
52E96.8Very high97.3Very high123 Ų12363.2 Ų63.258%0.57532%0.32SS*.THydrogen-bonded Turntrans-63.9-21.9-176.7-64.2-178-175.200113.3P46 P49 E54P46-E52 HydrophobicContact CB-CG 3.76Å; P46-E52 HydrophobicContact CG-CG 4.02Å; P49-E52 WeakPolarHBondContact O-CB 3.3Å; P49-E52 PolarHBondContact O-N 3.38Å; P49-E52 VanDerWaalsContact O-N 3.14Å; E52-E54 PolarHBondContact O-N 3.3Å
53Q95.3Very high97.4Very high123 Ų12359.6 Ų59.658%0.57530%0.304SS*.THydrogen-bonded Turntrans-71.7-12.8175.169.5-177.714.400114.1W50 I51 N173W50-Q53 WeakPolarHBondContact O-CG 3.41Å; I51-Q53 PolarHBondContact O-N 3.36Å; I51-Q53 VanDerWaalsContact O-N 3.13Å; Q53-N173 PolarHBondContact NE2-ND2 3.44Å; Q53-N173 PolarHBondContact NE2-OD1 3.49Å; Q53-N173 VanDerWaalsContact NE2-OD1 3.07Å
54E97.2Very high97.4Very high14 Ų1460.6 Ų60.67%0.06531%0.308CS..SBendtrans-65.1137.9175.1-67.7-63.1163.900110.9I51 E52 Y58 W59 R169 N173I51-E54 HydrophobicContact CD1-CG 3.72Å; I51-E54 HydrophobicContact CG1-CG 4.14Å; I51-E54 WeakPolarHBondContact O-CB 3.34Å; I51-E54 WeakPolarHBondContact O-CG 3.48Å; I51-E54 PolarHBondContact O-N 2.92Å; E52-E54 PolarHBondContact O-N 3.3Å; E54-Y58 HydrophobicContact CB-CD1 3.53Å; E54-Y58 HydrophobicContact CB-CD2 4.42Å; E54-Y58 HydrophobicContact CB-CE1 4.14Å; E54-Y58 HydrophobicContact CB-CG 3.7Å; E54-Y58 HydrophobicContact CG-CD1 4.02Å; E54-Y58 HydrophobicContact CG-CD2 4.33Å; E54-Y58 HydrophobicContact CG-CE1 4.22Å; E54-Y58 HydrophobicContact CG-CE2 4.49Å; E54-Y58 HydrophobicContact CG-CG 4.08Å; E54-W59 PolarHBondContact O-NE1 2.92Å; E54-R169 IonicContact OE1-CZ 3.04Å; E54-R169 IonicContact OE1-NE 2.7Å; E54-R169 PolarHBondContact OE1-NE 2.98Å; E54-R169 IonicContact OE1-NH2 2.73Å; E54-R169 PolarHBondContact OE1-NH2 3.09Å; E54-R169 IonicContact OE2-CZ 2.83Å; E54-R169 IonicContact OE2-NE 3.62Å; E54-R169 IonicContact OE2-NH2 3.85Å; E54-R169 PolarHBondContact OE2-NH2 3.16Å; E54-N173 PolarHBondContact OE1-ND2 2.7Å; E54-N173 VanDerWaalsContact OE1-ND2 3.1Å
55G96.8Very high97.4Very high36 Ų3664.9 Ų64.937%0.37133%0.326SS..  trans-73169.9-173.900000114E57 Y58 W59G55-E57 PolarHBondContact O-N 2.72Å; G55-E57 VanDerWaalsContact O-N 3.15Å; G55-Y58 WeakPolarHBondContact O-CB 3.42Å; G55-Y58 PolarHBondContact O-N 2.97Å; G55-W59 VanDerWaalsContact O-CD1 3.31Å; G55-W59 PolarHBondContact O-N 3.06Å
56P97.2Very high97.4Very high103 Ų10362.3 Ų62.367%0.66931%0.314SS*.Hα-helixtrans-55-35.9-179.6-26.434.7000114.2Y58 W59 D60P56-Y58 VanDerWaalsContact C-N 3.28Å; P56-Y58 PolarHBondContact O-N 3.2Å; P56-W59 PolarHBondContact O-N 3.36Å; P56-D60 WeakPolarHBondContact O-CB 3.49Å; P56-D60 PolarHBondContact O-N 3.22Å
57E97.8Very high97.3Very high176 Ų17664.3 Ų64.382%0.82232%0.319SS*.Hα-helixtrans-61.1-36178.7-64.2-175.417500112.8G55 G61G55-E57 PolarHBondContact O-N 2.72Å; G55-E57 VanDerWaalsContact O-N 3.15Å; E57-G61 PolarHBondContact O-N 3.38Å
58Y97.7Very high97.3Very high18 Ų1862 Ų627%0.07132%0.322CS..Hα-helixtrans-63.6-52.8174.2172.2-92.9000110.2I51 E54 G55 P56 D60 G61 E62 W166 Y170I51-Y58 HydrophobicContact CD1-CE1 4.3Å; I51-Y58 HydrophobicContact CG1-CE1 4.17Å; E54-Y58 HydrophobicContact CB-CD1 3.53Å; E54-Y58 HydrophobicContact CB-CD2 4.42Å; E54-Y58 HydrophobicContact CB-CE1 4.14Å; E54-Y58 HydrophobicContact CB-CG 3.7Å; E54-Y58 HydrophobicContact CG-CD1 4.02Å; E54-Y58 HydrophobicContact CG-CD2 4.33Å; E54-Y58 HydrophobicContact CG-CE1 4.22Å; E54-Y58 HydrophobicContact CG-CE2 4.49Å; E54-Y58 HydrophobicContact CG-CG 4.08Å; G55-Y58 WeakPolarHBondContact O-CB 3.42Å; G55-Y58 PolarHBondContact O-N 2.97Å; P56-Y58 VanDerWaalsContact C-N 3.28Å; P56-Y58 PolarHBondContact O-N 3.2Å; Y58-D60 PolarHBondContact O-N 3.17Å; Y58-G61 WeakPolarHBondContact O-CA 3.33Å; Y58-G61 PolarHBondContact O-N 3.45Å; Y58-G61 VanDerWaalsContact O-N 3.16Å; Y58-E62 HydrophobicContact CD1-CG 4.31Å; Y58-E62 HydrophobicContact CD2-CG 4.23Å; Y58-E62 HydrophobicContact CE1-CG 3.92Å; Y58-E62 HydrophobicContact CE2-CG 3.85Å; Y58-E62 HydrophobicContact CG-CG 4.46Å; Y58-E62 WeakPolarHBondContact O-CG 3.43Å; Y58-E62 PolarHBondContact O-N 2.88Å; Y58-W166 AromaticContact CD2-CH2 3.56Å; Y58-W166 HydrophobicContact CD2-CH2 3.56Å; Y58-W166 HydrophobicContact CD2-CZ2 4.34Å; Y58-W166 AromaticContact CD2-CZ3 3.79Å; Y58-W166 HydrophobicContact CD2-CZ3 3.79Å; Y58-W166 HydrophobicContact CE2-CE3 4.25Å; Y58-W166 AromaticContact CE2-CH2 3.82Å; Y58-W166 HydrophobicContact CE2-CH2 3.82Å; Y58-W166 HydrophobicContact CE2-CZ2 4.47Å; Y58-W166 AromaticContact CE2-CZ3 3.68Å; Y58-W166 HydrophobicContact CE2-CZ3 3.68Å; Y58-Y170 HydrophobicContact CE2-CE1 4.37Å; Y58-Y170 WeakPolarHBondContact CE2-OH 3.46Å; Y58-Y170 PolarHBondContact OH-OH 3.17Å
59W98.3Very high97.4Very high40 Ų4064.2 Ų64.215%0.15233%0.331CS..Hα-helixtrans-64.4-40-176.8-65.9111.8000113V33 M44 P46 I51 E54 G55 P56 T63V33-W59 HydrophobicContact CG1-CH2 4.09Å; V33-W59 HydrophobicContact CG1-CZ3 3.91Å; M44-W59 HydrophobicContact CB-CE3 4.32Å; M44-W59 HydrophobicContact CG-CE3 4.28Å; M44-W59 HydrophobicContact CG-CZ3 4.05Å; P46-W59 HydrophobicContact CB-CH2 3.64Å; P46-W59 HydrophobicContact CB-CZ2 3.98Å; P46-W59 HydrophobicContact CG-CH2 4.3Å; P46-W59 HydrophobicContact CG-CZ2 4.46Å; I51-W59 HydrophobicContact CB-CH2 4.45Å; I51-W59 HydrophobicContact CG1-CH2 3.86Å; I51-W59 HydrophobicContact CG1-CZ2 4.06Å; I51-W59 HydrophobicContact CG2-CH2 3.78Å; I51-W59 HydrophobicContact CG2-CZ2 4.12Å; I51-W59 WeakPolarHBondContact O-CZ2 3.3Å; E54-W59 PolarHBondContact O-NE1 2.92Å; G55-W59 VanDerWaalsContact O-CD1 3.31Å; G55-W59 PolarHBondContact O-N 3.06Å; P56-W59 PolarHBondContact O-N 3.36Å; W59-T63 WeakPolarHBondContact O-CB 3.36Å; W59-T63 PolarHBondContact O-N 2.91Å; W59-T63 PolarHBondContact O-OG1 2.91Å
60D98.2Very high97.4Very high86 Ų8660.4 Ų60.446%0.4631%0.307SS..Hα-helixtrans-67.3-39.6174.2-76.1-20.3000111.4P56 Y58 R64P56-D60 WeakPolarHBondContact O-CB 3.49Å; P56-D60 PolarHBondContact O-N 3.22Å; Y58-D60 PolarHBondContact O-N 3.17Å; D60-R64 WeakPolarHBondContact O-CB 3.47Å; D60-R64 PolarHBondContact O-N 2.77Å
61G98.1Very high97.4Very high13 Ų1364.6 Ų64.613%0.13433%0.327CS..Hα-helixtrans-61-53.3174.600000112.6E57 Y58 R64 K65E57-G61 PolarHBondContact O-N 3.38Å; Y58-G61 WeakPolarHBondContact O-CA 3.33Å; Y58-G61 PolarHBondContact O-N 3.45Å; Y58-G61 VanDerWaalsContact O-N 3.16Å; G61-R64 PolarHBondContact O-N 2.89Å; G61-K65 WeakPolarHBondContact O-CG 3.18Å; G61-K65 PolarHBondContact O-N 2.78Å
62E98Very high97.3Very high17 Ų1767.7 Ų67.78%0.07935%0.346CS..Hα-helixtrans-64.8-39.5179-68.4-51.4112.800111.7M44 Y58 R64 K65 V66M44-E62 HydrophobicContact CB-CB 4.13Å; M44-E62 HydrophobicContact CG-CB 4.1Å; Y58-E62 HydrophobicContact CD1-CG 4.31Å; Y58-E62 HydrophobicContact CD2-CG 4.23Å; Y58-E62 HydrophobicContact CE1-CG 3.92Å; Y58-E62 HydrophobicContact CE2-CG 3.85Å; Y58-E62 HydrophobicContact CG-CG 4.46Å; Y58-E62 WeakPolarHBondContact O-CG 3.43Å; Y58-E62 PolarHBondContact O-N 2.88Å; E62-R64 VanDerWaalsContact C-N 3.33Å; E62-R64 PolarHBondContact O-N 2.93Å; E62-K65 PolarHBondContact O-N 3Å; E62-K65 IonicContact OE1-NZ 3.72Å; E62-K65 PolarHBondContact OE1-NZ 2.93Å; E62-V66 WeakPolarHBondContact O-CB 3.39Å; E62-V66 WeakPolarHBondContact O-CG1 3.48Å; E62-V66 PolarHBondContact O-N 3.31Å
63T98.4Very high97.2Very high13 Ų1361.8 Ų61.88%0.0832%0.318CS..Hα-helixtrans-60.9-41.8173.5-63.80000111.7R43 M44 W59 V66 K67R43-T63 HydrophobicContact CB-CG2 4.47Å; R43-T63 HydrophobicContact CG-CG2 4.08Å; M44-T63 PolarHBondContact N-OG1 3.46Å; W59-T63 WeakPolarHBondContact O-CB 3.36Å; W59-T63 PolarHBondContact O-N 2.91Å; W59-T63 PolarHBondContact O-OG1 2.91Å; T63-V66 WeakPolarHBondContact O-CG1 3.42Å; T63-K67 HydrophobicContact CG2-CD 4.24Å; T63-K67 WeakPolarHBondContact O-CB 3.3Å; T63-K67 WeakPolarHBondContact O-CG 3.31Å; T63-K67 PolarHBondContact O-N 3.18Å; T63-K67 VanDerWaalsContact O-N 3.09Å
64R98.2Very high97.2Very high172 Ų17258.8 Ų58.865%0.64931%0.306SS*.Hα-helixtrans-66.2-45.4177.6-169.5-174.9-58.4107.62.7111.4D60 G61 E62 K67 A68D60-R64 WeakPolarHBondContact O-CB 3.47Å; D60-R64 PolarHBondContact O-N 2.77Å; G61-R64 PolarHBondContact O-N 2.89Å; E62-R64 VanDerWaalsContact C-N 3.33Å; E62-R64 PolarHBondContact O-N 2.93Å; R64-K67 PolarHBondContact O-N 3.38Å; R64-A68 PolarHBondContact O-N 2.72Å
65K97.3Very high97.1Very high103 Ų10362.5 Ų62.545%0.44833%0.329SS..Hα-helixtrans-61.6-47.4178.5-69.9173-166.2164.90111.6G61 E62 K67 A68 H69G61-K65 WeakPolarHBondContact O-CG 3.18Å; G61-K65 PolarHBondContact O-N 2.78Å; E62-K65 PolarHBondContact O-N 3Å; E62-K65 IonicContact OE1-NZ 3.72Å; E62-K65 PolarHBondContact OE1-NZ 2.93Å; K65-K67 VanDerWaalsContact C-N 3.33Å; K65-K67 PolarHBondContact O-N 3.01Å; K65-A68 WeakPolarHBondContact O-CB 3.39Å; K65-A68 PolarHBondContact O-N 2.61Å; K65-H69 PolarHBondContact O-CD2 3.44Å; K65-H69 VanDerWaalsContact O-CD2 3.28Å; K65-H69 PolarHBondContact O-N 2.92Å
66V97.8Very high97.1Very high3 Ų362.7 Ų62.72%0.01832%0.322CS..Hα-helixtrans-67.2-34.9-178.476.20000112F21 A23 F35 M44 E62 T63 H69 S70F21-V66 HydrophobicContact CE1-CG2 3.69Å; A23-V66 HydrophobicContact CB-CG2 3.6Å; F35-V66 HydrophobicContact CB-CG1 4.14Å; F35-V66 HydrophobicContact CB-CG2 3.81Å; F35-V66 HydrophobicContact CD1-CG1 4.34Å; F35-V66 HydrophobicContact CD1-CG2 3.95Å; F35-V66 HydrophobicContact CD2-CG1 3.39Å; F35-V66 HydrophobicContact CD2-CG2 4.34Å; F35-V66 HydrophobicContact CE2-CG1 3.79Å; F35-V66 HydrophobicContact CG-CB 4.44Å; F35-V66 HydrophobicContact CG-CG1 3.71Å; F35-V66 HydrophobicContact CG-CG2 3.78Å; F35-V66 HydrophobicContact CZ-CG1 4.43Å; M44-V66 HydrophobicContact CE-CB 3.77Å; M44-V66 HydrophobicContact CE-CG1 4.01Å; M44-V66 HydrophobicContact CE-CG2 3.88Å; E62-V66 WeakPolarHBondContact O-CB 3.39Å; E62-V66 WeakPolarHBondContact O-CG1 3.48Å; E62-V66 PolarHBondContact O-N 3.31Å; T63-V66 WeakPolarHBondContact O-CG1 3.42Å; V66-H69 PolarHBondContact O-N 2.95Å; V66-S70 PolarHBondContact O-N 3.07Å
67K97.8Very high97.1Very high86 Ų8658.2 Ų58.237%0.37429%0.292SS..Hα-helixtrans-65.1-41.1171.2-78.4-177.4173.3179.90112.3F35 Q42 T63 R64 K65 H69 S70 Q71F35-K67 HydrophobicContact CE2-CG 4.24Å; F35-K67 HydrophobicContact CZ-CG 4.19Å; Q42-K67 WeakPolarHBondContact O-CE 3.39Å; Q42-K67 PolarHBondContact O-NZ 3.47Å; Q42-K67 VanDerWaalsContact O-NZ 3.15Å; T63-K67 HydrophobicContact CG2-CD 4.24Å; T63-K67 WeakPolarHBondContact O-CB 3.3Å; T63-K67 WeakPolarHBondContact O-CG 3.31Å; T63-K67 PolarHBondContact O-N 3.18Å; T63-K67 VanDerWaalsContact O-N 3.09Å; R64-K67 PolarHBondContact O-N 3.38Å; K65-K67 VanDerWaalsContact C-N 3.33Å; K65-K67 PolarHBondContact O-N 3.01Å; K67-H69 VanDerWaalsContact C-N 3.34Å; K67-S70 WeakPolarHBondContact O-CB 3.27Å; K67-S70 PolarHBondContact O-N 2.89Å; K67-Q71 WeakPolarHBondContact O-CG 3.35Å; K67-Q71 PolarHBondContact O-N 3.28Å; K67-Q71 VanDerWaalsContact O-N 3.13Å
68A97.4Very high96.9Very high55 Ų5551.5 Ų51.546%0.45527%0.27SS..Hα-helixtrans-61-43.9173.600000111.2R64 K65 S70 Q71 T72R64-A68 PolarHBondContact O-N 2.72Å; K65-A68 WeakPolarHBondContact O-CB 3.39Å; K65-A68 PolarHBondContact O-N 2.61Å; A68-S70 PolarHBondContact O-N 3.14Å; A68-Q71 PolarHBondContact O-N 3.02Å; A68-T72 PolarHBondContact O-N 2.86Å; A68-T72 PolarHBondContact O-OG1 2.89Å
69H96.5Very high96.8Very high52 Ų5253.1 Ų53.124%0.24128%0.282CS..Hα-helixtrans-63.2-38.4174.8-72.9-47.2000113.3F8 F21 K65 V66 K67 Q71 T72 H73 R96F8-H69 HydrophobicContact CD2-CB 4.14Å; F8-H69 HydrophobicContact CE2-CB 3.87Å; F8-H69 AromaticContact CE2-CD2 3.48Å; F8-H69 VanDerWaalsContact CE2-CD2 3.48Å; F8-H69 WeakPolarHBondContact CE2-CD2 3.45Å; F8-H69 AromaticContact CE2-CG 3.66Å; F21-H69 HydrophobicContact CZ-CB 4.19Å; K65-H69 PolarHBondContact O-CD2 3.44Å; K65-H69 VanDerWaalsContact O-CD2 3.28Å; K65-H69 PolarHBondContact O-N 2.92Å; V66-H69 PolarHBondContact O-N 2.95Å; K67-H69 VanDerWaalsContact C-N 3.34Å; H69-Q71 VanDerWaalsContact C-N 3.27Å; H69-Q71 PolarHBondContact O-N 3.11Å; H69-T72 PolarHBondContact O-N 3.2Å; H69-H73 PolarHBondContact O-CD2 2.96Å; H69-H73 PolarHBondContact O-N 3.23Å; H69-R96 PolarHBondContact CE1-NH1 2.84Å; H69-R96 VanDerWaalsContact CE1-NH1 3.26Å; H69-R96 PolarHBondContact ND1-NH1 3.32Å
70S96.6Very high96.8Very high21 Ų2151.6 Ų51.615%0.14728%0.277CS..Hα-helixtrans-57.5-41.3173.2-173.80000111.8F21 V66 K67 A68 L74F21-S70 VanDerWaalsContact CB-OG 3.3Å; F21-S70 WeakPolarHBondContact CB-OG 3.5Å; F21-S70 WeakPolarHBondContact CG-OG 3.38Å; V66-S70 PolarHBondContact O-N 3.07Å; K67-S70 WeakPolarHBondContact O-CB 3.27Å; K67-S70 PolarHBondContact O-N 2.89Å; A68-S70 PolarHBondContact O-N 3.14Å; S70-L74 PolarHBondContact O-N 3.05Å; S70-L74 VanDerWaalsContact O-N 3.08Å
71Q96.3Very high96.7Very high103 Ų10351 Ų5148%0.48127%0.268SS..Hα-helixtrans-70.4-39176.7-65.2-60.8-36.100112.1K67 A68 H69 L74 V75K67-Q71 WeakPolarHBondContact O-CG 3.35Å; K67-Q71 PolarHBondContact O-N 3.28Å; K67-Q71 VanDerWaalsContact O-N 3.13Å; A68-Q71 PolarHBondContact O-N 3.02Å; H69-Q71 VanDerWaalsContact C-N 3.27Å; H69-Q71 PolarHBondContact O-N 3.11Å; Q71-L74 WeakPolarHBondContact O-CB 3.37Å; Q71-L74 PolarHBondContact O-N 3.29Å; Q71-V75 PolarHBondContact O-N 3.3Å
72T95.6Very high96.6Very high64 Ų6452.4 Ų52.439%0.39328%0.283SS..Hα-helixtrans-59.2-47.8172.3-53.70000111.2A68 H69 L74 V75 D76A68-T72 PolarHBondContact O-N 2.86Å; A68-T72 PolarHBondContact O-OG1 2.89Å; H69-T72 PolarHBondContact O-N 3.2Å; T72-L74 VanDerWaalsContact C-N 3.27Å; T72-L74 PolarHBondContact O-N 2.77Å; T72-V75 WeakPolarHBondContact O-CB 3.45Å; T72-V75 PolarHBondContact O-N 2.8Å; T72-V75 VanDerWaalsContact O-N 3.07Å; T72-D76 VanDerWaalsContact O-CG 3.25Å; T72-D76 PolarHBondContact O-N 2.68Å
73H95.3Very high96.5Very high0 Ų054.5 Ų54.50%029%0.29CS..Hα-helixtrans-64.7-30.3179.4-82.2-124.3000113F8 F21 H69 D76 L77F8-H73 AromaticContact CD2-NE2 3.99Å; F21-H73 HydrophobicContact CD2-CB 4.08Å; F21-H73 HydrophobicContact CE2-CB 4.08Å; F21-H73 AromaticContact CE2-CD2 3.9Å; F21-H73 AromaticContact CE2-CG 3.68Å; F21-H73 AromaticContact CE2-ND1 3.8Å; H69-H73 PolarHBondContact O-CD2 2.96Å; H69-H73 PolarHBondContact O-N 3.23Å; H73-D76 PolarHBondContact O-N 2.85Å; H73-L77 WeakPolarHBondContact O-CG 3.35Å; H73-L77 PolarHBondContact O-N 2.88Å
74L94.9Very high96.4Very high60 Ų6057 Ų5731%0.31430%0.299SS..Hα-helixtrans-61.7-46171.6173.764.1000111P19 S70 Q71 T72 G78P19-L74 HydrophobicContact CG-CD1 3.53Å; S70-L74 PolarHBondContact O-N 3.05Å; S70-L74 VanDerWaalsContact O-N 3.08Å; Q71-L74 WeakPolarHBondContact O-CB 3.37Å; Q71-L74 PolarHBondContact O-N 3.29Å; T72-L74 VanDerWaalsContact C-N 3.27Å; T72-L74 PolarHBondContact O-N 2.77Å; L74-G78 PolarHBondContact O-N 3.02Å
75V95.6Very high96.3Very high92 Ų9256.1 Ų56.156%0.55831%0.307SS*.Hα-helixtrans-66.4-40.1176.3176.50000111.2Q71 T72 L77 G78 T79Q71-V75 PolarHBondContact O-N 3.3Å; T72-V75 WeakPolarHBondContact O-CB 3.45Å; T72-V75 PolarHBondContact O-N 2.8Å; T72-V75 VanDerWaalsContact O-N 3.07Å; V75-L77 PolarHBondContact O-N 3.15Å; V75-G78 PolarHBondContact O-N 2.89Å; V75-T79 WeakPolarHBondContact O-CB 3.12Å; V75-T79 PolarHBondContact O-N 3.05Å; V75-T79 PolarHBondContact O-OG1 2.83Å
76D96Very high96.3Very high39 Ų3954.1 Ų54.121%0.20930%0.299CS..Hα-helixtrans-62.4-42.9178.4-66.6-24.1000111.4T72 H73 G78 T79 L80T72-D76 VanDerWaalsContact O-CG 3.25Å; T72-D76 PolarHBondContact O-N 2.68Å; H73-D76 PolarHBondContact O-N 2.85Å; D76-G78 VanDerWaalsContact C-N 3.31Å; D76-G78 PolarHBondContact O-N 2.87Å; D76-T79 PolarHBondContact O-N 2.81Å; D76-L80 HydrophobicContact CB-CD1 4.42Å; D76-L80 VanDerWaalsContact O-CB 3.31Å; D76-L80 WeakPolarHBondContact O-CB 2.94Å; D76-L80 VanDerWaalsContact O-CG 3.23Å; D76-L80 WeakPolarHBondContact O-CG 3.03Å; D76-L80 PolarHBondContact O-N 2.98Å
77L96.5Very high96.1Very high9 Ų957.7 Ų57.75%0.04733%0.325CS..Hα-helixtrans-55.9-44.7175.7-82.3165.2000112.1S10 P19 H73 V75 R81 H92 V94 Y117S10-L77 VanDerWaalsContact OG-CD1 3.27Å; S10-L77 WeakPolarHBondContact OG-CD1 3.23Å; P19-L77 HydrophobicContact CB-CD1 3.63Å; P19-L77 HydrophobicContact CG-CD1 3.68Å; H73-L77 WeakPolarHBondContact O-CG 3.35Å; H73-L77 PolarHBondContact O-N 2.88Å; V75-L77 PolarHBondContact O-N 3.15Å; L77-R81 VanDerWaalsContact O-CB 3.25Å; L77-R81 WeakPolarHBondContact O-CB 3.48Å; L77-R81 PolarHBondContact O-N 2.97Å; L77-R81 VanDerWaalsContact O-N 3.16Å; L77-H92 HydrophobicContact CD2-CB 4.06Å; L77-H92 WeakPolarHBondContact CD2-O 3.4Å; L77-V94 HydrophobicContact CD2-CB 4.38Å; L77-V94 HydrophobicContact CD2-CG2 3.68Å; L77-V94 HydrophobicContact CG-CB 4.46Å; L77-V94 HydrophobicContact CG-CG2 3.85Å; L77-Y117 HydrophobicContact CD2-CE2 4.49Å
78G94.7Very high95.7Very high36 Ų3660 Ų6037%0.37134%0.337SS..Hα-helixtrans-68.1-41.7177.200000112.8L74 V75 D76 G82L74-G78 PolarHBondContact O-N 3.02Å; V75-G78 PolarHBondContact O-N 2.89Å; D76-G78 VanDerWaalsContact C-N 3.31Å; D76-G78 PolarHBondContact O-N 2.87Å; G78-G82 PolarHBondContact O-N 3.28Å; G78-G82 VanDerWaalsContact O-N 3.15Å
79T96Very high95.4Very high51 Ų5161.7 Ų61.731%0.31335%0.35SS..Hα-helixtrans-65.7-47.9-179.7-59.30000111.6V75 D76 G82 Y83V75-T79 WeakPolarHBondContact O-CB 3.12Å; V75-T79 PolarHBondContact O-N 3.05Å; V75-T79 PolarHBondContact O-OG1 2.83Å; D76-T79 PolarHBondContact O-N 2.81Å; T79-G82 WeakPolarHBondContact O-CA 3.19Å; T79-G82 PolarHBondContact O-N 2.9Å; T79-G82 VanDerWaalsContact O-N 3.17Å; T79-Y83 HydrophobicContact CG2-CD1 4.43Å; T79-Y83 HydrophobicContact CG2-CD2 4.31Å; T79-Y83 HydrophobicContact CG2-CE1 3.87Å; T79-Y83 HydrophobicContact CG2-CE2 3.74Å; T79-Y83 VanDerWaalsContact CG2-CZ 3.49Å; T79-Y83 PolarHBondContact O-N 2.03Å
80L97.1Very high95.2Very high9 Ų960.3 Ų60.35%0.04735%0.35CS..Hα-helixtrans-65.1-44.5-179.4-68.9167.8000111D76 G82 Y83 Y84 V94 Y117 Y122D76-L80 HydrophobicContact CB-CD1 4.42Å; D76-L80 VanDerWaalsContact O-CB 3.31Å; D76-L80 WeakPolarHBondContact O-CB 2.94Å; D76-L80 VanDerWaalsContact O-CG 3.23Å; D76-L80 WeakPolarHBondContact O-CG 3.03Å; D76-L80 PolarHBondContact O-N 2.98Å; L80-G82 PolarHBondContact O-N 2.98Å; L80-Y83 HydrophobicContact CD2-CD2 4.42Å; L80-Y83 PolarHBondContact O-N 2.81Å; L80-Y84 HydrophobicContact CD2-CE2 4.34Å; L80-Y84 WeakPolarHBondContact O-CD2 3.27Å; L80-Y84 PolarHBondContact O-N 3.26Å; L80-V94 HydrophobicContact CD1-CG2 3.53Å; L80-Y117 HydrophobicContact CB-CD1 4.32Å; L80-Y117 HydrophobicContact CB-CD2 4.06Å; L80-Y117 HydrophobicContact CB-CE1 4.04Å; L80-Y117 HydrophobicContact CB-CE2 3.76Å; L80-Y117 HydrophobicContact CB-CG 4.31Å; L80-Y117 HydrophobicContact CD1-CD2 3.63Å; L80-Y117 HydrophobicContact CD1-CE2 4.05Å; L80-Y117 HydrophobicContact CD1-CG 4.02Å; L80-Y117 HydrophobicContact CG-CD2 4.43Å; L80-Y122 HydrophobicContact CD2-CD1 4.24Å; L80-Y122 HydrophobicContact CD2-CD2 4.08Å; L80-Y122 HydrophobicContact CD2-CE1 3.65Å; L80-Y122 HydrophobicContact CD2-CE2 3.46Å; L80-Y122 VanDerWaalsContact CD2-CE2 3.46Å; L80-Y122 HydrophobicContact CD2-CG 4.44Å; L80-Y122 WeakPolarHBondContact CD2-OH 3.29Å
81R96.1Very high95.2Very high72 Ų7262.9 Ų62.927%0.27237%0.368SS..Hα-helixtrans-53-42.1172.9-174.5-174.168178.910.8111.6L77 N85 Q86 E88 Y117L77-R81 VanDerWaalsContact O-CB 3.25Å; L77-R81 WeakPolarHBondContact O-CB 3.48Å; L77-R81 PolarHBondContact O-N 2.97Å; L77-R81 VanDerWaalsContact O-N 3.16Å; R81-N85 PolarHBondContact O-N 3.23Å; R81-N85 VanDerWaalsContact O-N 3.14Å; R81-Q86 HydrophobicContact CG-CB 3.84Å; R81-Q86 WeakPolarHBondContact CG-O 3.24Å; R81-Q86 PolarHBondContact O-N 2.74Å; R81-E88 IonicContact CZ-OE1 3.65Å; R81-E88 IonicContact NH1-OE1 2.69Å; R81-E88 IonicContact NH2-OE1 3.38Å; R81-E88 PolarHBondContact NH2-OE1 3.43Å; R81-Y117 PolarHBondContact N-OH 3.32Å
82G95.8Very high95.3Very high43 Ų4358.7 Ų58.744%0.44335%0.349SS..Hα-helixtrans-64.4-48174.900000113.2G78 T79 L80 Y84 N85G78-G82 PolarHBondContact O-N 3.28Å; G78-G82 VanDerWaalsContact O-N 3.15Å; T79-G82 WeakPolarHBondContact O-CA 3.19Å; T79-G82 PolarHBondContact O-N 2.9Å; T79-G82 VanDerWaalsContact O-N 3.17Å; L80-G82 PolarHBondContact O-N 2.98Å; G82-Y84 VanDerWaalsContact C-N 3.25Å; G82-Y84 PolarHBondContact O-N 2.87Å; G82-N85 PolarHBondContact O-N 2.88Å; G82-N85 VanDerWaalsContact O-N 3.09Å; G82-N85 PolarHBondContact O-OD1 2.82Å
83Y96.9Very high95.4Very high61 Ų6157.2 Ų57.224%0.23934%0.34CS..Hα-helixtrans-60.5-34.5178.5-68.4-11000113.3T79 L80 T141 K145T79-Y83 HydrophobicContact CG2-CD1 4.43Å; T79-Y83 HydrophobicContact CG2-CD2 4.31Å; T79-Y83 HydrophobicContact CG2-CE1 3.87Å; T79-Y83 HydrophobicContact CG2-CE2 3.74Å; T79-Y83 VanDerWaalsContact CG2-CZ 3.49Å; T79-Y83 PolarHBondContact O-N 2.03Å; L80-Y83 HydrophobicContact CD2-CD2 4.42Å; L80-Y83 PolarHBondContact O-N 2.81Å; Y83-T141 HydrophobicContact CE1-CG2 4.09Å; Y83-T141 HydrophobicContact CE2-CG2 4.08Å; Y83-K145 PolarHBondContact OH-NZ 2.94Å
84Y97Very high95.6Very high67 Ų6757.3 Ų57.326%0.26334%0.34SS..THydrogen-bonded Turntrans-91.44178.2-69.4-72.9000113.8L80 G82 Q86 Y117 Y122 D136 A138L80-Y84 HydrophobicContact CD2-CE2 4.34Å; L80-Y84 WeakPolarHBondContact O-CD2 3.27Å; L80-Y84 PolarHBondContact O-N 3.26Å; G82-Y84 VanDerWaalsContact C-N 3.25Å; G82-Y84 PolarHBondContact O-N 2.87Å; Y84-Q86 PolarHBondContact O-N 3.29Å; Y84-Y117 AromaticContact CD2-CD1 3.67Å; Y84-Y117 HydrophobicContact CD2-CD1 3.67Å; Y84-Y117 AromaticContact CD2-CE1 3.49Å; Y84-Y117 HydrophobicContact CD2-CE1 3.49Å; Y84-Y117 VanDerWaalsContact CD2-CE1 3.49Å; Y84-Y117 AromaticContact CE2-CD1 3.51Å; Y84-Y117 HydrophobicContact CE2-CD1 3.51Å; Y84-Y117 AromaticContact CE2-CE1 3.87Å; Y84-Y117 HydrophobicContact CE2-CE1 3.87Å; Y84-Y117 HydrophobicContact CE2-CG 4.47Å; Y84-Y117 HydrophobicContact CG-CE1 4.36Å; Y84-Y122 HydrophobicContact CE2-CD2 4.36Å; Y84-Y122 HydrophobicContact CE2-CE2 4.13Å; Y84-Y122 WeakPolarHBondContact OH-CD2 3.25Å; Y84-Y122 WeakPolarHBondContact OH-CE2 3.41Å; Y84-D136 VanDerWaalsContact CE1-OD2 3.22Å; Y84-D136 WeakPolarHBondContact CE1-OD2 3.27Å; Y84-D136 VanDerWaalsContact CZ-OD2 3.31Å; Y84-D136 VanDerWaalsContact OH-CG 3.22Å; Y84-D136 PolarHBondContact OH-OD1 2.91Å; Y84-D136 VanDerWaalsContact OH-OD1 3.13Å; Y84-D136 PolarHBondContact OH-OD2 2.96Å; Y84-A138 HydrophobicContact CD1-CB 4.14Å; Y84-A138 HydrophobicContact CD2-CB 4.42Å; Y84-A138 HydrophobicContact CE1-CB 3.6Å; Y84-A138 HydrophobicContact CE2-CB 3.9Å; Y84-A138 VanDerWaalsContact CZ-CB 3.47Å
85N95.9Very high95.8Very high152 Ų15258 Ų5881%0.81334%0.342SS*.THydrogen-bonded Turntrans51.740.3-177.9-58.7-57000113.4R81 G82R81-N85 PolarHBondContact O-N 3.23Å; R81-N85 VanDerWaalsContact O-N 3.14Å; G82-N85 PolarHBondContact O-N 2.88Å; G82-N85 VanDerWaalsContact O-N 3.09Å; G82-N85 PolarHBondContact O-OD1 2.82Å
86Q96.2Very high95.9Very high61 Ų6154.7 Ų54.729%0.28532%0.319SS..  trans-89.8151.6-176.5-70.6166-34.400112R81 Y84 H92 Y117 D118R81-Q86 HydrophobicContact CG-CB 3.84Å; R81-Q86 WeakPolarHBondContact CG-O 3.24Å; R81-Q86 PolarHBondContact O-N 2.74Å; Y84-Q86 PolarHBondContact O-N 3.29Å; Q86-H92 PolarHBondContact NE2-CE1 3.34Å; Q86-H92 PolarHBondContact OE1-CE1 3.41Å; Q86-H92 PolarHBondContact OE1-ND1 2.79Å; Q86-Y117 PolarHBondContact OE1-OH 2.98Å; Q86-D118 PolarHBondContact NE2-OD2 3.22Å
87S93.8Very high96Very high79 Ų7953.9 Ų53.955%0.55231%0.314SS*.  trans-72.1152.2-179720000112.9A89 G90S87-A89 PolarHBondContact O-N 3.18Å; S87-G90 PolarHBondContact O-N 3.38Å
88E90.3Very high96.1Very high135 Ų13554.2 Ų54.263%0.63132%0.315SS*.THydrogen-bonded Turntrans-69.3-18.7176.6-53-156.2126.700114.5P14 R81 G90P14-E88 WeakPolarHBondContact CB-O 3.3Å; P14-E88 WeakPolarHBondContact CG-O 3.45Å; R81-E88 IonicContact CZ-OE1 3.65Å; R81-E88 IonicContact NH1-OE1 2.69Å; R81-E88 IonicContact NH2-OE1 3.38Å; R81-E88 PolarHBondContact NH2-OE1 3.43Å; E88-G90 VanDerWaalsContact C-N 3.27Å; E88-G90 PolarHBondContact O-N 2.99Å
89A91.3Very high96.3Very high89 Ų8952.5 Ų52.574%0.73630%0.298SS*.THydrogen-bonded Turntrans-76-16.2179.200000113.1S87S87-A89 PolarHBondContact O-N 3.18Å
90G92.4Very high96.4Very high23 Ų2350.1 Ų50.124%0.23728%0.283CS..SBendtrans-77.7136.7-17900000112.4P14 S87 E88 H92P14-G90 WeakPolarHBondContact CG-O 3.38Å; S87-G90 PolarHBondContact O-N 3.38Å; E88-G90 VanDerWaalsContact C-N 3.27Å; E88-G90 PolarHBondContact O-N 2.99Å; G90-H92 PolarHBondContact O-CD2 2.93Å
91S96.5Very high96.5Very high76 Ų7650.9 Ų50.953%0.53129%0.287SS..  trans-85119.7168177.40000109.1S12S12-S91 PolarHBondContact O-OG 2.92Å
92H97.8Very high96.6Very high15 Ų1547.5 Ų47.57%0.06927%0.274CS..  trans-114.9154.1179.3-60.4-74.4000112.5S12 L77 Q86 G90 Y117 D118S12-H92 PolarHBondContact N-O 2.85Å; S12-H92 WeakPolarHBondContact OG-CA 3.49Å; S12-H92 PolarHBondContact OG-N 2.89Å; S12-H92 PolarHBondContact OG-O 2.93Å; L77-H92 HydrophobicContact CD2-CB 4.06Å; L77-H92 WeakPolarHBondContact CD2-O 3.4Å; Q86-H92 PolarHBondContact NE2-CE1 3.34Å; Q86-H92 PolarHBondContact OE1-CE1 3.41Å; Q86-H92 PolarHBondContact OE1-ND1 2.79Å; G90-H92 PolarHBondContact O-CD2 2.93Å; H92-Y117 HydrophobicContact CB-CE2 3.82Å; H92-Y117 WeakPolarHBondContact CB-OH 3.19Å; H92-Y117 AromaticContact CG-CZ 3.99Å; H92-Y117 AromaticContact ND1-CZ 3.9Å; H92-Y117 PolarHBondContact ND1-OH 3.01Å; H92-D118 WeakPolarHBondContact CA-OD1 3.18Å; H92-D118 IonicContact CE1-OD2 3.14Å; H92-D118 IonicContact CG-OD1 3.83Å; H92-D118 IonicContact CG-OD2 2.74Å; H92-D118 IonicContact ND1-OD1 3.53Å; H92-D118 IonicContact ND1-OD2 3.44Å; H92-D118 PolarHBondContact ND1-OD2 3.49Å
93T98.4Very high96.6Very high33 Ų3345.7 Ų45.720%0.20226%0.256CS..EExtended strand (participates in β ladder)trans-125.6130.1-177.7-54.60000111.4T9 S10 V11 Q95 Y117 D118T9-T93 HydrophobicContact CG2-CG2 3.95Å; S10-T93 CarbonylContact O-C 3.52Å; S10-T93 VanDerWaalsContact O-CA 3.31Å; S10-T93 WeakPolarHBondContact O-CA 3.39Å; V11-T93 HydrophobicContact CG2-CG2 4.13Å; T93-Q95 HydrophobicContact CG2-CG 3.99Å; T93-Y117 CarbonylContact O-C 3.58Å; T93-Y117 WeakPolarHBondContact O-CA 3.42Å; T93-Y117 WeakPolarHBondContact O-CD2 3.41Å; T93-D118 PolarHBondContact N-OD1 2.83Å; T93-D118 PolarHBondContact O-N 3.28Å
94V98.4Very high96.3Very high1 Ų148 Ų481%0.00628%0.28CS..EExtended strand (participates in β ladder)trans-112.9125.81691740000108.7T9 S10 L77 L80 Y115 Y117T9-V94 WeakPolarHBondContact CA-O 3.34Å; S10-V94 PolarHBondContact N-O 2.98Å; S10-V94 PolarHBondContact O-N 3.28Å; L77-V94 HydrophobicContact CD2-CB 4.38Å; L77-V94 HydrophobicContact CD2-CG2 3.68Å; L77-V94 HydrophobicContact CG-CB 4.46Å; L77-V94 HydrophobicContact CG-CG2 3.85Å; L80-V94 HydrophobicContact CD1-CG2 3.53Å; V94-Y115 HydrophobicContact CG1-CD1 4.06Å; V94-Y115 HydrophobicContact CG1-CE1 4.44Å; V94-Y117 HydrophobicContact CG2-CD2 3.68Å; V94-Y117 HydrophobicContact CG2-CE2 4Å
95Q98.7Very high96.1Very high76 Ų7648.8 Ų48.836%0.35529%0.289SS..EExtended strand (participates in β ladder)trans-117.4143.9175.2-64.6172.2-81.900109.9F8 T9 T93 Y115 A116F8-Q95 CarbonylContact O-C 3.58Å; F8-Q95 VanDerWaalsContact O-CA 3.28Å; F8-Q95 WeakPolarHBondContact O-CA 3.37Å; T9-Q95 HydrophobicContact CG2-CG 4.01Å; T93-Q95 HydrophobicContact CG2-CG 3.99Å; Q95-Y115 CarbonylContact O-C 3.52Å; Q95-Y115 WeakPolarHBondContact O-CA 3.47Å; Q95-A116 HydrophobicContact CB-CB 4.3Å; Q95-A116 PolarHBondContact N-O 2.91Å; Q95-A116 PolarHBondContact O-N 3.21Å
96R98.4Very high95.8Very high22 Ų2245.8 Ų45.88%0.08327%0.267CS..EExtended strand (participates in β ladder)trans-133.5134.4173.3-177.6-169-175.2-161.7-5.7109.1F7 F8 H69 Y98 H113 Q114 Y115F7-R96 WeakPolarHBondContact CA-O 3.29Å; F8-R96 HydrophobicContact CB-CB 4.34Å; F8-R96 PolarHBondContact N-O 2.82Å; F8-R96 PolarHBondContact O-N 2.61Å; H69-R96 PolarHBondContact CE1-NH1 2.84Å; H69-R96 VanDerWaalsContact CE1-NH1 3.26Å; H69-R96 PolarHBondContact ND1-NH1 3.32Å; R96-Y98 HydrophobicContact CG-CD1 4.36Å; R96-H113 PolarHBondContact NE-NE2 3.17Å; R96-H113 VanDerWaalsContact NE-NE2 3.16Å; R96-H113 PolarHBondContact NH2-CD2 3.22Å; R96-H113 VanDerWaalsContact NH2-CD2 3.35Å; R96-H113 PolarHBondContact NH2-NE2 3.12Å; R96-Q114 CarbonylContact C-O 3.54Å; R96-Q114 VanDerWaalsContact CA-O 3.32Å; R96-Q114 WeakPolarHBondContact CA-O 3.43Å; R96-Y115 HydrophobicContact CB-CD1 4.02Å; R96-Y115 HydrophobicContact CB-CE1 3.87Å; R96-Y115 HydrophobicContact CB-CE2 4.35Å; R96-Y115 HydrophobicContact CB-CG 4.36Å; R96-Y115 VanDerWaalsContact CD-OH 3.25Å; R96-Y115 WeakPolarHBondContact CD-OH 3.49Å; R96-Y115 HydrophobicContact CG-CD1 4.32Å; R96-Y115 HydrophobicContact CG-CD2 4.02Å; R96-Y115 HydrophobicContact CG-CE1 3.97Å; R96-Y115 HydrophobicContact CG-CE2 3.61Å; R96-Y115 HydrophobicContact CG-CG 4.36Å; R96-Y115 PolarHBondContact NE-OH 3.2Å
97M98.6Very high95.7Very high21 Ų2151 Ų5110%0.10328%0.284CS..EExtended strand (participates in β ladder)trans-122.1133166.2-176.7-80.8-78.300109.2Y6 F7 Y112 H113 Q114Y6-M97 WeakPolarHBondContact O-CA 3.37Å; F7-M97 HydrophobicContact CD1-CB 3.92Å; F7-M97 HydrophobicContact CD1-CG 3.63Å; F7-M97 HydrophobicContact CE1-CB 4.08Å; F7-M97 HydrophobicContact CE1-CG 3.38Å; F7-M97 HydrophobicContact CG-CG 4.41Å; F7-M97 HydrophobicContact CZ-CG 3.97Å; M97-Y112 HydrophobicContact CE-CD1 4.23Å; M97-Y112 HydrophobicContact CE-CG 4.21Å; M97-Y112 HydrophobicContact SD-CG 4.46Å; M97-H113 WeakPolarHBondContact O-CA 3.45Å; M97-Q114 HydrophobicContact CB-CG 4.04Å; M97-Q114 VanDerWaalsContact CE-CD 3.43Å; M97-Q114 HydrophobicContact CE-CG 3.98Å; M97-Q114 PolarHBondContact N-O 3.27Å; M97-Q114 PolarHBondContact O-N 2.98Å
98Y98.6Very high95.9Very high17 Ų1750.1 Ų50.17%0.06727%0.27CS..EExtended strand (participates in β ladder)trans-146.1158.8170.270.7-84.5000111.2Y6 F8 R96 Y112 Y158Y6-Y98 HydrophobicContact CD2-CD2 4.41Å; Y6-Y98 AromaticContact CD2-CE2 3.62Å; Y6-Y98 HydrophobicContact CD2-CE2 3.62Å; Y6-Y98 AromaticContact CD2-CZ 3.7Å; Y6-Y98 HydrophobicContact CE2-CE2 4.37Å; Y6-Y98 HydrophobicContact CG-CE1 4.28Å; Y6-Y98 HydrophobicContact CG-CE2 4.15Å; Y6-Y98 AromaticContact CG-CZ 3.75Å; Y6-Y98 PolarHBondContact N-O 3.39Å; Y6-Y98 PolarHBondContact O-N 3.26Å; Y6-Y98 VanDerWaalsContact O-N 3.11Å; F8-Y98 HydrophobicContact CD2-CE1 4.22Å; F8-Y98 HydrophobicContact CE1-CE1 4.17Å; F8-Y98 AromaticContact CE2-CE1 3.56Å; F8-Y98 HydrophobicContact CE2-CE1 3.56Å; F8-Y98 AromaticContact CZ-CE1 3.53Å; F8-Y98 HydrophobicContact CZ-CE1 3.53Å; F8-Y98 AromaticContact CZ-CZ 3.89Å; F8-Y98 VanDerWaalsContact CZ-OH 3.3Å; F8-Y98 WeakPolarHBondContact CZ-OH 3.42Å; R96-Y98 HydrophobicContact CG-CD1 4.36Å; Y98-Y112 WeakPolarHBondContact CA-O 3.29Å; Y98-Y112 VanDerWaalsContact CB-O 3.29Å; Y98-Y112 WeakPolarHBondContact CB-O 3.4Å; Y98-Y158 AromaticContact CD2-CE1 3.9Å; Y98-Y158 HydrophobicContact CD2-CE1 3.9Å; Y98-Y158 AromaticContact CE2-CE1 3.84Å; Y98-Y158 HydrophobicContact CE2-CE1 3.84Å
99G98.6Very high96.3Very high0 Ų048.8 Ų48.80%027%0.267CS..EExtended strand (participates in β ladder)trans159.9-176.6-179.600000113.6M4 G111 Y112 L159M4-G99 CarbonylContact O-C 3.55Å; M4-G99 WeakPolarHBondContact O-CA 3.49Å; G99-G111 CarbonylContact O-C 3.59Å; G99-G111 WeakPolarHBondContact O-CA 3.49Å; G99-Y112 PolarHBondContact N-O 3.25Å; G99-Y112 PolarHBondContact O-N 3.08Å; G99-L159 VanDerWaalsContact O-CD2 3.23Å; G99-L159 WeakPolarHBondContact O-CD2 3.43Å
100C98.7Very high96.6Very high0 Ų049 Ų490%025%0.249CC..EExtended strand (participates in β ladder)trans-136.3153.1-175.356.10000111.5S3 M4 F108 R110 C163S3-C100 WeakPolarHBondContact CA-O 3.36Å; M4-C100 PolarHBondContact N-O 2.9Å; M4-C100 PolarHBondContact O-N 2.88Å; C100-F108 HydrophobicContact CB-CD2 4.43Å; C100-F108 HydrophobicContact CB-CE2 4.16Å; C100-R110 CarbonylContact C-O 3.6Å; C100-R110 VanDerWaalsContact CA-O 3.29Å; C100-R110 WeakPolarHBondContact CA-O 3.49Å; C100-C163 HydrophobicContact CB-CB 3.9Å; C100-C163 WeakPolarHBondContact CB-SG 3.34Å; C100-C163 PolarHBondContact N-SG 3.15Å; C100-C163 VanDerWaalsContact N-SG 3.36Å; C100-C163 WeakPolarHBondContact SG-CB 3.35Å; C100-C163 CovalentContact SG-SG 2.04Å; C100-C163 PolarHBondContact SG-SG 3.13Å
101D98.4Very high96.9Very high26 Ų2648.1 Ų48.114%0.13924%0.24CC..EExtended strand (participates in β ladder)trans-114.4142.6173.7-60.3-12.2000109.6H2 S3 R5 L109 R110 Y112H2-D101 CarbonylContact O-C 3.59Å; H2-D101 WeakPolarHBondContact O-CA 3.44Å; S3-D101 WeakPolarHBondContact CB-OD1 3.5Å; R5-D101 IonicContact CZ-OD1 2.78Å; R5-D101 IonicContact NE-OD1 2.69Å; R5-D101 PolarHBondContact NE-OD1 2.98Å; R5-D101 VanDerWaalsContact NH2-CG 3.27Å; R5-D101 IonicContact NH2-OD1 3.83Å; R5-D101 PolarHBondContact NH2-OD1 3.21Å; R5-D101 IonicContact NH2-OD2 3.35Å; R5-D101 PolarHBondContact NH2-OD2 3.43Å; D101-L109 HydrophobicContact CB-CB 4.33Å; D101-L109 PolarHBondContact O-N 2.94Å; D101-R110 HydrophobicContact CB-CB 4.34Å; D101-R110 PolarHBondContact N-O 3.49Å; D101-Y112 WeakPolarHBondContact OD2-CE2 3.45Å; D101-Y112 PolarHBondContact OD2-OH 3.45Å
102V97.8Very high97Very high0 Ų046.4 Ų46.40%022%0.222CC..EExtended strand (participates in β ladder)trans-123.8145174.6-61.50000111.6S1 H2 R107 V164 L167S1-V102 VanDerWaalsContact CA-O 3.31Å; S1-V102 WeakPolarHBondContact CA-O 3.35Å; S1-V102 VanDerWaalsContact CB-O 3.28Å; S1-V102 WeakPolarHBondContact CB-O 3.47Å; H2-V102 HydrophobicContact CB-CG2 3.97Å; H2-V102 PolarHBondContact N-O 3.04Å; H2-V102 PolarHBondContact O-N 3.49Å; V102-R107 CarbonylContact C-O 3.45Å; V102-R107 WeakPolarHBondContact CA-O 3.41Å; V102-V164 HydrophobicContact CG1-CB 4.37Å; V102-V164 HydrophobicContact CG1-CG1 3.85Å; V102-V164 HydrophobicContact CG1-CG2 4Å; V102-L167 HydrophobicContact CB-CD2 4.41Å; V102-L167 HydrophobicContact CG1-CD2 3.97Å; V102-L167 HydrophobicContact CG2-CD2 3.7Å; V102-L167 HydrophobicContact CG2-CG 4.28Å
103G95.6Very high97Very high6 Ų646 Ų466%0.06222%0.22CC..  trans-71.2174.8176.500000112.3D105 W106 R107 L109G103-D105 PolarHBondContact O-N 3.37Å; G103-W106 WeakPolarHBondContact O-CA 3.46Å; G103-W106 PolarHBondContact O-N 2.7Å; G103-R107 PolarHBondContact N-O 2.89Å; G103-L109 VanDerWaalsContact CA-CD1 3.43Å; G103-L109 VanDerWaalsContact N-CD1 3.35Å
104S90.9Very high97Very high108 Ų10847.9 Ų47.976%0.75523%0.227SC*.THydrogen-bonded Turntrans-62.7-21.2170.248.10000112.7W106S104-W106 VanDerWaalsContact C-N 3.26Å
105D91.9Very high97Very high84 Ų8448.9 Ų48.945%0.44923%0.23SC..THydrogen-bonded Turntrans-87.69.7172.571.2-18.6000113.3G103 R107G103-D105 PolarHBondContact O-N 3.37Å; D105-R107 PolarHBondContact O-N 3.19Å; D105-R107 VanDerWaalsContact O-N 3.15Å; D105-R107 WeakPolarHBondContact OD1-CB 3.32Å; D105-R107 PolarHBondContact OD1-N 2.94Å; D105-R107 VanDerWaalsContact OD1-N 3.13Å; D105-R107 WeakPolarHBondContact OD2-CD 3.31Å; D105-R107 VanDerWaalsContact OD2-CG 3.29Å; D105-R107 WeakPolarHBondContact OD2-CG 3.3Å; D105-R107 IonicContact OD2-NE 3.79Å
106W89.8Confident97Very high89 Ų8946.1 Ų46.134%0.33722%0.22SC..SBendtrans65.47.6-179.6-51.193.2000115G103 S104 R168 L171G103-W106 WeakPolarHBondContact O-CA 3.46Å; G103-W106 PolarHBondContact O-N 2.7Å; S104-W106 VanDerWaalsContact C-N 3.26Å; W106-R168 HydrophobicContact CE3-CG 4.12Å; W106-R168 VanDerWaalsContact O-CZ 3.31Å; W106-R168 PolarHBondContact O-NE 3.15Å; W106-R168 VanDerWaalsContact O-NE 3.11Å; W106-R168 PolarHBondContact O-NH2 3.21Å; W106-L171 HydrophobicContact CE3-CD1 4.3Å; W106-L171 HydrophobicContact CH2-CB 4.13Å; W106-L171 HydrophobicContact CH2-CD1 4.19Å; W106-L171 HydrophobicContact CZ3-CB 3.82Å; W106-L171 HydrophobicContact CZ3-CD1 3.41Å; W106-L171 VanDerWaalsContact CZ3-CD1 3.41Å; W106-L171 HydrophobicContact CZ3-CG 4.19Å
107R95.5Very high97Very high171 Ų17145.6 Ų45.665%0.64522%0.218SC*.  trans-82.1149.6179.3-63.3-171.7-175.8-175.1-2110.9V102 G103 D105 L109V102-R107 CarbonylContact C-O 3.45Å; V102-R107 WeakPolarHBondContact CA-O 3.41Å; G103-R107 PolarHBondContact N-O 2.89Å; D105-R107 PolarHBondContact O-N 3.19Å; D105-R107 VanDerWaalsContact O-N 3.15Å; D105-R107 WeakPolarHBondContact OD1-CB 3.32Å; D105-R107 PolarHBondContact OD1-N 2.94Å; D105-R107 VanDerWaalsContact OD1-N 3.13Å; D105-R107 WeakPolarHBondContact OD2-CD 3.31Å; D105-R107 VanDerWaalsContact OD2-CG 3.29Å; D105-R107 WeakPolarHBondContact OD2-CG 3.3Å; D105-R107 IonicContact OD2-NE 3.79Å; R107-L109 PolarHBondContact O-N 3.5Å
108F98Very high97Very high60 Ų6047.5 Ų47.526%0.26323%0.229SC..EExtended strand (participates in β ladder)trans-54.3129.1173178-98.8000110.5C100 R110 G111 L129 L159 E160 V164C100-F108 HydrophobicContact CB-CD2 4.43Å; C100-F108 HydrophobicContact CB-CE2 4.16Å; F108-R110 VanDerWaalsContact CE2-C 3.43Å; F108-R110 VanDerWaalsContact CE2-O 3.29Å; F108-R110 WeakPolarHBondContact CE2-O 3.39Å; F108-G111 VanDerWaalsContact CZ-N 3.29Å; F108-L129 HydrophobicContact CE1-CD1 4.05Å; F108-L129 HydrophobicContact CZ-CD1 3.71Å; F108-L159 WeakPolarHBondContact CE2-O 3.27Å; F108-E160 HydrophobicContact CD1-CG 4.06Å; F108-E160 HydrophobicContact CD2-CG 4.46Å; F108-E160 HydrophobicContact CE1-CG 3.92Å; F108-E160 HydrophobicContact CE2-CG 4.33Å; F108-E160 HydrophobicContact CG-CG 4.33Å; F108-E160 HydrophobicContact CZ-CG 4.07Å; F108-V164 HydrophobicContact CB-CG2 4.07Å; F108-V164 HydrophobicContact CD2-CG2 3.75Å; F108-V164 HydrophobicContact CG-CG2 4.41Å
109L97.5Very high96.9Very high107 Ų10749.5 Ų49.556%0.5626%0.255SS*.EExtended strand (participates in β ladder)trans-109.6-48.6174.7-69.1-178.5000111.9D101 G103 R107D101-L109 HydrophobicContact CB-CB 4.33Å; D101-L109 PolarHBondContact O-N 2.94Å; G103-L109 VanDerWaalsContact CA-CD1 3.43Å; G103-L109 VanDerWaalsContact N-CD1 3.35Å; R107-L109 PolarHBondContact O-N 3.5Å
110R97.8Very high96.9Very high94 Ų9457.1 Ų57.136%0.35529%0.288SS..EExtended strand (participates in β ladder)trans-155.6148.1-171.5-172163170.4143.78.2111.4C100 D101 F108 Y112 E127C100-R110 CarbonylContact C-O 3.6Å; C100-R110 VanDerWaalsContact CA-O 3.29Å; C100-R110 WeakPolarHBondContact CA-O 3.49Å; D101-R110 HydrophobicContact CB-CB 4.34Å; D101-R110 PolarHBondContact N-O 3.49Å; F108-R110 VanDerWaalsContact CE2-C 3.43Å; F108-R110 VanDerWaalsContact CE2-O 3.29Å; F108-R110 WeakPolarHBondContact CE2-O 3.39Å; R110-Y112 HydrophobicContact CB-CE2 4.15Å; R110-Y112 WeakPolarHBondContact CD-OH 3.43Å; R110-Y112 HydrophobicContact CG-CE1 4.14Å; R110-Y112 HydrophobicContact CG-CE2 3.78Å; R110-Y112 VanDerWaalsContact NE-CE1 3.26Å; R110-Y112 PolarHBondContact NE-OH 2.72Å; R110-E127 VanDerWaalsContact CZ-CD 3.49Å; R110-E127 IonicContact CZ-OE1 3.53Å; R110-E127 IonicContact NH1-OE1 2.73Å; R110-E127 PolarHBondContact NH1-OE1 3.2Å; R110-E127 IonicContact NH1-OE2 3.51Å; R110-E127 VanDerWaalsContact NH2-CG 3.33Å; R110-E127 IonicContact NH2-OE1 3.56Å; R110-E127 PolarHBondContact NH2-OE1 2.89Å
111G98.2Very high96.9Very high5 Ų563 Ų635%0.05232%0.32CS..EExtended strand (participates in β ladder)trans-124.1150.2175.800000110.2G99 F108G99-G111 CarbonylContact O-C 3.59Å; G99-G111 WeakPolarHBondContact O-CA 3.49Å; F108-G111 VanDerWaalsContact CZ-N 3.29Å
112Y98.4Very high96.9Very high40 Ų4062.2 Ų62.216%0.15732%0.315CS..EExtended strand (participates in β ladder)trans-132.4140.8-178.5-53.2-97.2000109.4R5 M97 Y98 G99 D101 R110R5-Y112 VanDerWaalsContact CZ-CE2 3.44Å; R5-Y112 VanDerWaalsContact NH2-CZ 3.27Å; R5-Y112 PolarHBondContact NH2-OH 2.91Å; M97-Y112 HydrophobicContact CE-CD1 4.23Å; M97-Y112 HydrophobicContact CE-CG 4.21Å; M97-Y112 HydrophobicContact SD-CG 4.46Å; Y98-Y112 WeakPolarHBondContact CA-O 3.29Å; Y98-Y112 VanDerWaalsContact CB-O 3.29Å; Y98-Y112 WeakPolarHBondContact CB-O 3.4Å; G99-Y112 PolarHBondContact N-O 3.25Å; G99-Y112 PolarHBondContact O-N 3.08Å; D101-Y112 WeakPolarHBondContact OD2-CE2 3.45Å; D101-Y112 PolarHBondContact OD2-OH 3.45Å; R110-Y112 HydrophobicContact CB-CE2 4.15Å; R110-Y112 WeakPolarHBondContact CD-OH 3.43Å; R110-Y112 HydrophobicContact CG-CE1 4.14Å; R110-Y112 HydrophobicContact CG-CE2 3.78Å; R110-Y112 VanDerWaalsContact NE-CE1 3.26Å; R110-Y112 PolarHBondContact NE-OH 2.72Å
113H98.5Very high96.9Very high6 Ų662.4 Ų62.43%0.02832%0.316CS..EExtended strand (participates in β ladder)trans-158.5103.4169.3-175.5-87.5000109R96 M97 Y115 L125 W132 W146 L155R96-H113 PolarHBondContact NE-NE2 3.17Å; R96-H113 VanDerWaalsContact NE-NE2 3.16Å; R96-H113 PolarHBondContact NH2-CD2 3.22Å; R96-H113 VanDerWaalsContact NH2-CD2 3.35Å; R96-H113 PolarHBondContact NH2-NE2 3.12Å; M97-H113 WeakPolarHBondContact O-CA 3.45Å; H113-Y115 AromaticContact CE1-CE2 3.43Å; H113-Y115 VanDerWaalsContact CE1-CE2 3.43Å; H113-Y115 WeakPolarHBondContact CE1-CE2 3.31Å; H113-Y115 AromaticContact NE2-CE2 3.9Å; H113-L125 HydrophobicContact CB-CB 3.99Å; H113-L125 HydrophobicContact CB-CD2 4.13Å; H113-L125 WeakPolarHBondContact O-CB 3.38Å; H113-L125 PolarHBondContact O-N 3.41Å; H113-W132 AromaticContact ND1-CH2 3.76Å; H113-W132 AromaticContact ND1-CZ3 3.8Å; H113-W146 AromaticContact CE1-CH2 3.93Å; H113-W146 AromaticContact CE1-CZ3 3.95Å; H113-L155 HydrophobicContact CB-CD1 4.32Å
114Q98.4Very high97.1Very high73 Ų7363.6 Ų63.634%0.34133%0.325SS..EExtended strand (participates in β ladder)trans-140.3146.2-172.561.9-166.860.700111.7R96 M97 I123 A124R96-Q114 CarbonylContact C-O 3.54Å; R96-Q114 VanDerWaalsContact CA-O 3.32Å; R96-Q114 WeakPolarHBondContact CA-O 3.43Å; M97-Q114 HydrophobicContact CB-CG 4.04Å; M97-Q114 VanDerWaalsContact CE-CD 3.43Å; M97-Q114 HydrophobicContact CE-CG 3.98Å; M97-Q114 PolarHBondContact N-O 3.27Å; M97-Q114 PolarHBondContact O-N 2.98Å; Q114-I123 CarbonylContact C-O 3.44Å; Q114-I123 WeakPolarHBondContact CA-O 3.41Å; Q114-A124 HydrophobicContact CB-CB 3.87Å
115Y98.5Very high97.5Very high22 Ų2259.2 Ų59.29%0.08629%0.293CS..EExtended strand (participates in β ladder)trans-119.6146.3175.6-76.3-109.1000110.4V94 Q95 R96 H113 Y122 I123 W146V94-Y115 HydrophobicContact CG1-CD1 4.06Å; V94-Y115 HydrophobicContact CG1-CE1 4.44Å; Q95-Y115 CarbonylContact O-C 3.52Å; Q95-Y115 WeakPolarHBondContact O-CA 3.47Å; R96-Y115 HydrophobicContact CB-CD1 4.02Å; R96-Y115 HydrophobicContact CB-CE1 3.87Å; R96-Y115 HydrophobicContact CB-CE2 4.35Å; R96-Y115 HydrophobicContact CB-CG 4.36Å; R96-Y115 VanDerWaalsContact CD-OH 3.25Å; R96-Y115 WeakPolarHBondContact CD-OH 3.49Å; R96-Y115 HydrophobicContact CG-CD1 4.32Å; R96-Y115 HydrophobicContact CG-CD2 4.02Å; R96-Y115 HydrophobicContact CG-CE1 3.97Å; R96-Y115 HydrophobicContact CG-CE2 3.61Å; R96-Y115 HydrophobicContact CG-CG 4.36Å; R96-Y115 PolarHBondContact NE-OH 3.2Å; H113-Y115 AromaticContact CE1-CE2 3.43Å; H113-Y115 VanDerWaalsContact CE1-CE2 3.43Å; H113-Y115 WeakPolarHBondContact CE1-CE2 3.31Å; H113-Y115 AromaticContact NE2-CE2 3.9Å; Y115-Y122 WeakPolarHBondContact O-CB 3.45Å; Y115-Y122 PolarHBondContact O-N 2.8Å; Y115-I123 HydrophobicContact CD2-CG2 4.43Å; Y115-I123 PolarHBondContact N-O 3.17Å; Y115-I123 PolarHBondContact O-N 2.77Å; Y115-W146 AromaticContact CD2-CH2 3.9Å; Y115-W146 HydrophobicContact CD2-CH2 3.9Å; Y115-W146 AromaticContact CE2-CH2 3.59Å; Y115-W146 HydrophobicContact CE2-CH2 3.59Å; Y115-W146 HydrophobicContact CE2-CZ2 4.43Å; Y115-W146 HydrophobicContact CE2-CZ3 4.47Å
116A98.7Very high97.8Very high17 Ų1759.4 Ų59.414%0.1429%0.29CS..EExtended strand (participates in β ladder)trans-126.7148.2168.600000110Q95 K120Q95-A116 HydrophobicContact CB-CB 4.3Å; Q95-A116 PolarHBondContact N-O 2.91Å; Q95-A116 PolarHBondContact O-N 3.21Å; A116-K120 CarbonylContact C-O 3.57Å; A116-K120 WeakPolarHBondContact CA-O 3.45Å; A116-K120 VanDerWaalsContact CB-O 3.22Å; A116-K120 WeakPolarHBondContact CB-O 3.31Å
117Y98.5Very high98.1Very high11 Ų1161.6 Ų61.64%0.04330%0.304CS..EExtended strand (participates in β ladder)trans-127.9128177.2-174.4-120.9000109.8L77 L80 R81 Y84 Q86 H92 T93 V94 G119 K120L77-Y117 HydrophobicContact CD2-CE2 4.49Å; L80-Y117 HydrophobicContact CB-CD1 4.32Å; L80-Y117 HydrophobicContact CB-CD2 4.06Å; L80-Y117 HydrophobicContact CB-CE1 4.04Å; L80-Y117 HydrophobicContact CB-CE2 3.76Å; L80-Y117 HydrophobicContact CB-CG 4.31Å; L80-Y117 HydrophobicContact CD1-CD2 3.63Å; L80-Y117 HydrophobicContact CD1-CE2 4.05Å; L80-Y117 HydrophobicContact CD1-CG 4.02Å; L80-Y117 HydrophobicContact CG-CD2 4.43Å; R81-Y117 PolarHBondContact N-OH 3.32Å; Y84-Y117 AromaticContact CD2-CD1 3.67Å; Y84-Y117 HydrophobicContact CD2-CD1 3.67Å; Y84-Y117 AromaticContact CD2-CE1 3.49Å; Y84-Y117 HydrophobicContact CD2-CE1 3.49Å; Y84-Y117 VanDerWaalsContact CD2-CE1 3.49Å; Y84-Y117 AromaticContact CE2-CD1 3.51Å; Y84-Y117 HydrophobicContact CE2-CD1 3.51Å; Y84-Y117 AromaticContact CE2-CE1 3.87Å; Y84-Y117 HydrophobicContact CE2-CE1 3.87Å; Y84-Y117 HydrophobicContact CE2-CG 4.47Å; Y84-Y117 HydrophobicContact CG-CE1 4.36Å; Q86-Y117 PolarHBondContact OE1-OH 2.98Å; H92-Y117 HydrophobicContact CB-CE2 3.82Å; H92-Y117 WeakPolarHBondContact CB-OH 3.19Å; H92-Y117 AromaticContact CG-CZ 3.99Å; H92-Y117 AromaticContact ND1-CZ 3.9Å; H92-Y117 PolarHBondContact ND1-OH 3.01Å; T93-Y117 CarbonylContact O-C 3.58Å; T93-Y117 WeakPolarHBondContact O-CA 3.42Å; T93-Y117 WeakPolarHBondContact O-CD2 3.41Å; V94-Y117 HydrophobicContact CG2-CD2 3.68Å; V94-Y117 HydrophobicContact CG2-CE2 4Å; Y117-G119 PolarHBondContact O-N 3.48Å; Y117-K120 PolarHBondContact N-O 3.21Å; Y117-K120 PolarHBondContact O-N 3.35Å
118D97.9Very high98.2Very high61 Ų6157.2 Ų57.233%0.32629%0.293SS..THydrogen-bonded Turntrans49.140.6-175.7-66.7-20.2000113.4Q86 H92 T93 K120Q86-D118 PolarHBondContact NE2-OD2 3.22Å; H92-D118 WeakPolarHBondContact CA-OD1 3.18Å; H92-D118 IonicContact CE1-OD2 3.14Å; H92-D118 IonicContact CG-OD1 3.83Å; H92-D118 IonicContact CG-OD2 2.74Å; H92-D118 IonicContact ND1-OD1 3.53Å; H92-D118 IonicContact ND1-OD2 3.44Å; H92-D118 PolarHBondContact ND1-OD2 3.49Å; T93-D118 PolarHBondContact N-OD1 2.83Å; T93-D118 PolarHBondContact O-N 3.28Å; D118-K120 VanDerWaalsContact C-N 3.29Å; D118-K120 PolarHBondContact O-N 3.47Å
119G97.2Very high98.2Very high60 Ų6054.5 Ų54.562%0.61928%0.282SS*.THydrogen-bonded Turntrans76.87.5178.200000115.2Y117Y117-G119 PolarHBondContact O-N 3.48Å
120K98.3Very high98.2Very high160 Ų16057.5 Ų57.570%0.69629%0.285SS*.EExtended strand (participates in β ladder)trans-114.1145.5177.1-62.5179.2-178176.70110.8A116 Y117 D118 Y122A116-K120 CarbonylContact C-O 3.57Å; A116-K120 WeakPolarHBondContact CA-O 3.45Å; A116-K120 VanDerWaalsContact CB-O 3.22Å; A116-K120 WeakPolarHBondContact CB-O 3.31Å; Y117-K120 PolarHBondContact N-O 3.21Å; Y117-K120 PolarHBondContact O-N 3.35Å; D118-K120 VanDerWaalsContact C-N 3.29Å; D118-K120 PolarHBondContact O-N 3.47Å; K120-Y122 PolarHBondContact O-N 3.22Å
121D98.6Very high98.2Very high124 Ų12454.4 Ų54.466%0.66328%0.278SS*.EExtended strand (participates in β ladder)trans-53.9136.2173.2-70.7-26.9000110.6A135D121-A135 HydrophobicContact CB-CB 4.35Å; D121-A135 WeakPolarHBondContact O-CB 3.2Å
122Y98.7Very high98.2Very high9 Ų954.3 Ų54.34%0.03528%0.276CS..EExtended strand (participates in β ladder)trans-113.7-64.5178.8179.1-112.5000110.5L80 Y84 Y115 K120 A135 A138 A139 T142L80-Y122 HydrophobicContact CD2-CD1 4.24Å; L80-Y122 HydrophobicContact CD2-CD2 4.08Å; L80-Y122 HydrophobicContact CD2-CE1 3.65Å; L80-Y122 HydrophobicContact CD2-CE2 3.46Å; L80-Y122 VanDerWaalsContact CD2-CE2 3.46Å; L80-Y122 HydrophobicContact CD2-CG 4.44Å; L80-Y122 WeakPolarHBondContact CD2-OH 3.29Å; Y84-Y122 HydrophobicContact CE2-CD2 4.36Å; Y84-Y122 HydrophobicContact CE2-CE2 4.13Å; Y84-Y122 WeakPolarHBondContact OH-CD2 3.25Å; Y84-Y122 WeakPolarHBondContact OH-CE2 3.41Å; Y115-Y122 WeakPolarHBondContact O-CB 3.45Å; Y115-Y122 PolarHBondContact O-N 2.8Å; K120-Y122 PolarHBondContact O-N 3.22Å; Y122-A135 WeakPolarHBondContact O-CB 3.39Å; Y122-A135 PolarHBondContact O-N 3.29Å; Y122-A138 HydrophobicContact CE2-CB 4.44Å; Y122-A138 PolarHBondContact OH-O 3.1Å; Y122-A139 HydrophobicContact CD2-CB 3.78Å; Y122-A139 VanDerWaalsContact CE2-CA 3.45Å; Y122-A139 HydrophobicContact CE2-CB 3.61Å; Y122-A139 HydrophobicContact CG-CB 4.33Å; Y122-A139 WeakPolarHBondContact O-CB 3.13Å; Y122-T142 HydrophobicContact CE1-CG2 4.2Å; Y122-T142 WeakPolarHBondContact OH-CB 3.4Å; Y122-T142 PolarHBondContact OH-OG1 3.29Å
123I98.8Very high98.2Very high4 Ų456 Ų562%0.02129%0.291CS..EExtended strand (participates in β ladder)trans-148.6140.1179.1-165.9176.2000110.6Q114 Y115 W132 T133 T142 K143 W146Q114-I123 CarbonylContact C-O 3.44Å; Q114-I123 WeakPolarHBondContact CA-O 3.41Å; Y115-I123 HydrophobicContact CD2-CG2 4.43Å; Y115-I123 PolarHBondContact N-O 3.17Å; Y115-I123 PolarHBondContact O-N 2.77Å; I123-W132 HydrophobicContact CD1-CB 4.28Å; I123-W132 HydrophobicContact CD1-CD2 4.31Å; I123-W132 HydrophobicContact CD1-CE3 4.04Å; I123-W132 HydrophobicContact CD1-CG 4.43Å; I123-W132 HydrophobicContact CG1-CB 4.39Å; I123-W132 HydrophobicContact CG1-CE3 4Å; I123-T133 CarbonylContact C-O 3.59Å; I123-T133 WeakPolarHBondContact CA-O 3.28Å; I123-T133 WeakPolarHBondContact CG1-O 3.43Å; I123-T142 HydrophobicContact CD1-CG2 4.12Å; I123-K143 HydrophobicContact CD1-CB 3.47Å; I123-K143 VanDerWaalsContact CD1-CB 3.47Å; I123-W146 HydrophobicContact CD1-CE3 4.06Å; I123-W146 HydrophobicContact CD1-CZ3 4.32Å; I123-W146 HydrophobicContact CG2-CH2 4.23Å; I123-W146 HydrophobicContact CG2-CZ3 3.97Å
124A98.8Very high98.2Very high31 Ų3156.5 Ų56.526%0.25630%0.296SS..EExtended strand (participates in β ladder)trans-135.3137.5179.100000111.7Q114 W132 T133Q114-A124 HydrophobicContact CB-CB 3.87Å; A124-W132 WeakPolarHBondContact O-CA 3.04Å; A124-T133 PolarHBondContact N-O 2.88Å; A124-T133 PolarHBondContact O-N 2.9Å
125L98.8Very high98.2Very high15 Ų1555.8 Ų55.88%0.07930%0.302CS..EExtended strand (participates in β ladder)trans-69.2130.1168.4-174.265.2000108.6H113 L129 W132 A152 L155 L159H113-L125 HydrophobicContact CB-CB 3.99Å; H113-L125 HydrophobicContact CB-CD2 4.13Å; H113-L125 WeakPolarHBondContact O-CB 3.38Å; H113-L125 PolarHBondContact O-N 3.41Å; L125-L129 HydrophobicContact CD2-CB 4.42Å; L125-L129 HydrophobicContact CD2-CD2 3.71Å; L125-L129 HydrophobicContact CG-CD2 4.25Å; L125-W132 HydrophobicContact CB-CE3 4.04Å; L125-W132 HydrophobicContact CB-CH2 4.16Å; L125-W132 HydrophobicContact CB-CZ3 3.68Å; L125-W132 HydrophobicContact CD1-CD2 4.16Å; L125-W132 HydrophobicContact CD1-CE3 4.23Å; L125-W132 HydrophobicContact CD1-CH2 4.02Å; L125-W132 HydrophobicContact CD1-CZ2 3.94Å; L125-W132 HydrophobicContact CD1-CZ3 4.15Å; L125-W132 HydrophobicContact CG-CZ3 4.49Å; L125-A152 HydrophobicContact CD1-CB 4.04Å; L125-L155 HydrophobicContact CD2-CB 4.36Å; L125-L159 HydrophobicContact CD2-CD1 3.94Å
126K98.4Very high98.2Very high88 Ų8857.5 Ų57.538%0.38331%0.313SS..  trans-73.8166.5178-63.2-162.8-156.1165.30111.4D128 L129 S131 W132 T133K126-D128 PolarHBondContact O-N 2.88Å; K126-D128 VanDerWaalsContact O-N 3.13Å; K126-L129 PolarHBondContact O-N 2.74Å; K126-S131 WeakPolarHBondContact CB-O 3.37Å; K126-S131 VanDerWaalsContact CD-OG 3.24Å; K126-S131 WeakPolarHBondContact CD-OG 3.44Å; K126-S131 WeakPolarHBondContact CG-O 3.49Å; K126-S131 PolarHBondContact N-O 3.24Å; K126-W132 WeakPolarHBondContact CE-O 3.5Å; K126-T133 VanDerWaalsContact CE-OG1 3.27Å; K126-T133 WeakPolarHBondContact CE-OG1 3.42Å; K126-T133 WeakPolarHBondContact CG-OG1 3.25Å
127E97.5Very high98.1Very high136 Ų13664.2 Ų64.264%0.63634%0.344SS*.THydrogen-bonded Turntrans-58.4-24.7178.7-64.6-179-172.100113.6R110 L129R110-E127 VanDerWaalsContact CZ-CD 3.49Å; R110-E127 IonicContact CZ-OE1 3.53Å; R110-E127 IonicContact NH1-OE1 2.73Å; R110-E127 PolarHBondContact NH1-OE1 3.2Å; R110-E127 IonicContact NH1-OE2 3.51Å; R110-E127 VanDerWaalsContact NH2-CG 3.33Å; R110-E127 IonicContact NH2-OE1 3.56Å; R110-E127 PolarHBondContact NH2-OE1 2.89Å; E127-L129 PolarHBondContact O-N 2.87Å
128D97.6Very high98Very high78 Ų7864.3 Ų64.342%0.41735%0.347SS..THydrogen-bonded Turntrans-70.6-9.4175.167.211.7000114K126 R130 S131K126-D128 PolarHBondContact O-N 2.88Å; K126-D128 VanDerWaalsContact O-N 3.13Å; D128-R130 WeakPolarHBondContact O-CG 3.48Å; D128-R130 PolarHBondContact O-N 2.85Å; D128-R130 VanDerWaalsContact O-N 3.14Å; D128-R130 PolarHBondContact OD1-N 2.99Å; D128-S131 PolarHBondContact OD1-N 2.89Å; D128-S131 PolarHBondContact OD1-OG 3.22Å; D128-S131 WeakPolarHBondContact OD2-CB 3.45Å; D128-S131 PolarHBondContact OD2-OG 3.44Å
129L98Very high98Very high4 Ų461.4 Ų61.42%0.02133%0.331CS..SBendtrans52.925.8-174.4-53.2-178.1000114.4F108 L125 K126 E127 R156 L159 E160F108-L129 HydrophobicContact CE1-CD1 4.05Å; F108-L129 HydrophobicContact CZ-CD1 3.71Å; L125-L129 HydrophobicContact CD2-CB 4.42Å; L125-L129 HydrophobicContact CD2-CD2 3.71Å; L125-L129 HydrophobicContact CG-CD2 4.25Å; K126-L129 PolarHBondContact O-N 2.74Å; E127-L129 PolarHBondContact O-N 2.87Å; L129-R156 HydrophobicContact CB-CB 4.11Å; L129-R156 HydrophobicContact CB-CG 3.91Å; L129-R156 HydrophobicContact CD1-CG 4.01Å; L129-L159 HydrophobicContact CD2-CD1 4.1Å; L129-E160 HydrophobicContact CD1-CG 3.94Å
130R97.3Very high98.1Very high169 Ų16961.2 Ų61.264%0.63831%0.314SS*.SBendtrans-130.5-32.2-175.9-70173.6-171.7-142.75.2112.3D128 R156D128-R130 WeakPolarHBondContact O-CG 3.48Å; D128-R130 PolarHBondContact O-N 2.85Å; D128-R130 VanDerWaalsContact O-N 3.14Å; D128-R130 PolarHBondContact OD1-N 2.99Å; R130-R156 VanDerWaalsContact NH2-NH1 3.17Å
131S97.6Very high98Very high30 Ų3056.2 Ų56.221%0.2130%0.297CS..  trans-118.7162.6-175.772.20000112.3K126 D128K126-S131 WeakPolarHBondContact CB-O 3.37Å; K126-S131 VanDerWaalsContact CD-OG 3.24Å; K126-S131 WeakPolarHBondContact CD-OG 3.44Å; K126-S131 WeakPolarHBondContact CG-O 3.49Å; K126-S131 PolarHBondContact N-O 3.24Å; D128-S131 PolarHBondContact OD1-N 2.89Å; D128-S131 PolarHBondContact OD1-OG 3.22Å; D128-S131 WeakPolarHBondContact OD2-CB 3.45Å; D128-S131 PolarHBondContact OD2-OG 3.44Å
132W98.6Very high98Very high3 Ų351.1 Ų51.11%0.01127%0.271CS..EExtended strand (participates in β ladder)trans-118.8142.5-173.7-60.294000112H113 I123 A124 L125 K126 K143 W146 V151 A152 L155H113-W132 AromaticContact ND1-CH2 3.76Å; H113-W132 AromaticContact ND1-CZ3 3.8Å; I123-W132 HydrophobicContact CD1-CB 4.28Å; I123-W132 HydrophobicContact CD1-CD2 4.31Å; I123-W132 HydrophobicContact CD1-CE3 4.04Å; I123-W132 HydrophobicContact CD1-CG 4.43Å; I123-W132 HydrophobicContact CG1-CB 4.39Å; I123-W132 HydrophobicContact CG1-CE3 4Å; A124-W132 WeakPolarHBondContact O-CA 3.04Å; L125-W132 HydrophobicContact CB-CE3 4.04Å; L125-W132 HydrophobicContact CB-CH2 4.16Å; L125-W132 HydrophobicContact CB-CZ3 3.68Å; L125-W132 HydrophobicContact CD1-CD2 4.16Å; L125-W132 HydrophobicContact CD1-CE3 4.23Å; L125-W132 HydrophobicContact CD1-CH2 4.02Å; L125-W132 HydrophobicContact CD1-CZ2 3.94Å; L125-W132 HydrophobicContact CD1-CZ3 4.15Å; L125-W132 HydrophobicContact CG-CZ3 4.49Å; K126-W132 WeakPolarHBondContact CE-O 3.5Å; W132-K143 HydrophobicContact CB-CB 3.94Å; W132-K143 HydrophobicContact CB-CD 3.95Å; W132-K143 HydrophobicContact CB-CG 3.79Å; W132-K143 HydrophobicContact CG-CB 4.32Å; W132-K143 HydrophobicContact CG-CG 4.36Å; W132-W146 HydrophobicContact CD2-CE3 4.08Å; W132-W146 AromaticContact CE2-CE3 3.87Å; W132-W146 AromaticContact CE3-CE3 3.88Å; W132-W146 HydrophobicContact CE3-CE3 3.88Å; W132-W146 HydrophobicContact CE3-CZ3 4.03Å; W132-W146 HydrophobicContact CH2-CD2 4.42Å; W132-W146 AromaticContact CH2-CE3 3.23Å; W132-W146 HydrophobicContact CH2-CE3 3.23Å; W132-W146 AromaticContact CH2-CZ3 3.33Å; W132-W146 HydrophobicContact CH2-CZ3 3.33Å; W132-W146 HydrophobicContact CZ2-CD2 4.39Å; W132-W146 AromaticContact CZ2-CE3 3.46Å; W132-W146 HydrophobicContact CZ2-CE3 3.46Å; W132-W146 VanDerWaalsContact CZ2-CE3 3.46Å; W132-W146 HydrophobicContact CZ2-CZ3 4.06Å; W132-W146 AromaticContact CZ3-CE3 3.48Å; W132-W146 HydrophobicContact CZ3-CE3 3.48Å; W132-W146 VanDerWaalsContact CZ3-CE3 3.48Å; W132-W146 AromaticContact CZ3-CZ3 3.32Å; W132-W146 HydrophobicContact CZ3-CZ3 3.32Å; W132-V151 HydrophobicContact CZ2-CB 4.34Å; W132-V151 HydrophobicContact CZ2-CG1 4.12Å; W132-A152 HydrophobicContact CZ2-CB 4.21Å; W132-L155 HydrophobicContact CH2-CD1 3.41Å; W132-L155 VanDerWaalsContact CH2-CD1 3.41Å; W132-L155 HydrophobicContact CZ2-CD1 3.89Å
133T98.6Very high98Very high75 Ų7552.7 Ų52.746%0.4628%0.278SS..EExtended strand (participates in β ladder)trans-101.8119.8165.2-60.50000108.2I123 A124 K126I123-T133 CarbonylContact C-O 3.59Å; I123-T133 WeakPolarHBondContact CA-O 3.28Å; I123-T133 WeakPolarHBondContact CG1-O 3.43Å; A124-T133 PolarHBondContact N-O 2.88Å; A124-T133 PolarHBondContact O-N 2.9Å; K126-T133 VanDerWaalsContact CE-OG1 3.27Å; K126-T133 WeakPolarHBondContact CE-OG1 3.42Å; K126-T133 WeakPolarHBondContact CG-OG1 3.25Å
134A98.6Very high98Very high16 Ų1658 Ų5813%0.13230%0.302CS..EExtended strand (participates in β ladder)trans-105133.617500000108.9A139 Q140 K143A134-A139 HydrophobicContact CB-CB 3.68Å; A134-Q140 HydrophobicContact CB-CG 4.36Å; A134-K143 HydrophobicContact CB-CD 4.19Å
135A98.3Very high97.9Very high58 Ų5862.2 Ų62.248%0.47932%0.315SS..SBendtrans-76.9-31.4-173.400000113.4D121 Y122D121-A135 HydrophobicContact CB-CB 4.35Å; D121-A135 WeakPolarHBondContact O-CB 3.2Å; Y122-A135 WeakPolarHBondContact O-CB 3.39Å; Y122-A135 PolarHBondContact O-N 3.29Å
136D97.8Very high97.9Very high58 Ų5864 Ų6431%0.3132%0.32SS..SBendtrans-150.8-174.5-178.665.330.7000112.6Y84 A138 A139 Q140Y84-D136 VanDerWaalsContact CE1-OD2 3.22Å; Y84-D136 WeakPolarHBondContact CE1-OD2 3.27Å; Y84-D136 VanDerWaalsContact CZ-OD2 3.31Å; Y84-D136 VanDerWaalsContact OH-CG 3.22Å; Y84-D136 PolarHBondContact OH-OD1 2.91Å; Y84-D136 VanDerWaalsContact OH-OD1 3.13Å; Y84-D136 PolarHBondContact OH-OD2 2.96Å; D136-A138 VanDerWaalsContact C-N 3.34Å; D136-A138 PolarHBondContact O-N 3.14Å; D136-A138 WeakPolarHBondContact OD1-CA 3.12Å; D136-A138 WeakPolarHBondContact OD1-CB 3.38Å; D136-A138 PolarHBondContact OD1-N 3.24Å; D136-A139 WeakPolarHBondContact O-CB 3.22Å; D136-A139 PolarHBondContact O-N 2.99Å; D136-A139 PolarHBondContact OD1-N 3.19Å; D136-Q140 WeakPolarHBondContact O-CG 3.48Å; D136-Q140 PolarHBondContact O-N 3.26Å
137M96.8Very high97.9Very high159 Ų15963.5 Ų63.578%0.78332%0.319SS*.Hα-helixtrans-64.6-33.2-179.3-67.7-55.8-59.900113.8A139 Q140M137-A139 VanDerWaalsContact C-N 3.35Å; M137-Q140 PolarHBondContact O-N 2.87Å
138A96.5Very high97.9Very high13 Ų1360.9 Ų60.911%0.10732%0.321CS..Hα-helixtrans-68.5-39.9175.200000110.2Y84 Y122 D136 Q140 T141Y84-A138 HydrophobicContact CD1-CB 4.14Å; Y84-A138 HydrophobicContact CD2-CB 4.42Å; Y84-A138 HydrophobicContact CE1-CB 3.6Å; Y84-A138 HydrophobicContact CE2-CB 3.9Å; Y84-A138 VanDerWaalsContact CZ-CB 3.47Å; Y122-A138 HydrophobicContact CE2-CB 4.44Å; Y122-A138 PolarHBondContact OH-O 3.1Å; D136-A138 VanDerWaalsContact C-N 3.34Å; D136-A138 PolarHBondContact O-N 3.14Å; D136-A138 WeakPolarHBondContact OD1-CA 3.12Å; D136-A138 WeakPolarHBondContact OD1-CB 3.38Å; D136-A138 PolarHBondContact OD1-N 3.24Å; A138-Q140 VanDerWaalsContact C-N 3.33Å; A138-Q140 PolarHBondContact O-N 2.71Å; A138-T141 WeakPolarHBondContact O-CB 3.28Å; A138-T141 PolarHBondContact O-N 3.15Å
139A98.1Very high98Very high0 Ų060 Ų600%032%0.324CS..Hα-helixtrans-65.3-31.3173.800000113.5Y122 A134 D136 M137 T141 T142 K143Y122-A139 HydrophobicContact CD2-CB 3.78Å; Y122-A139 VanDerWaalsContact CE2-CA 3.45Å; Y122-A139 HydrophobicContact CE2-CB 3.61Å; Y122-A139 HydrophobicContact CG-CB 4.33Å; Y122-A139 WeakPolarHBondContact O-CB 3.13Å; A134-A139 HydrophobicContact CB-CB 3.68Å; D136-A139 WeakPolarHBondContact O-CB 3.22Å; D136-A139 PolarHBondContact O-N 2.99Å; D136-A139 PolarHBondContact OD1-N 3.19Å; M137-A139 VanDerWaalsContact C-N 3.35Å; A139-T141 PolarHBondContact O-N 3.2Å; A139-T142 PolarHBondContact O-N 2.94Å; A139-K143 PolarHBondContact O-N 2.85Å
140Q98.3Very high97.9Very high55 Ų5565.1 Ų65.126%0.25735%0.348SS..Hα-helixtrans-60.9-30.5172.9-65-62.7-18.700112.4A134 D136 M137 A138 K143 H144A134-Q140 HydrophobicContact CB-CG 4.36Å; D136-Q140 WeakPolarHBondContact O-CG 3.48Å; D136-Q140 PolarHBondContact O-N 3.26Å; M137-Q140 PolarHBondContact O-N 2.87Å; A138-Q140 VanDerWaalsContact C-N 3.33Å; A138-Q140 PolarHBondContact O-N 2.71Å; Q140-K143 WeakPolarHBondContact O-CA 3.41Å; Q140-K143 PolarHBondContact O-N 3.14Å; Q140-H144 PolarHBondContact O-CD2 2.94Å; Q140-H144 PolarHBondContact O-N 3.22Å
141T97.4Very high98Very high56 Ų5658.4 Ų58.434%0.34433%0.326SS..Hα-helixtrans-64.2-44.6175.7-57.30000110.9Y83 A138 A139 K145Y83-T141 HydrophobicContact CE1-CG2 4.09Å; Y83-T141 HydrophobicContact CE2-CG2 4.08Å; A138-T141 WeakPolarHBondContact O-CB 3.28Å; A138-T141 PolarHBondContact O-N 3.15Å; A139-T141 PolarHBondContact O-N 3.2Å; T141-K145 WeakPolarHBondContact O-CG 3.43Å; T141-K145 PolarHBondContact O-N 2.78Å
142T97.9Very high98Very high17 Ų1757.4 Ų57.410%0.10432%0.319CS..Hα-helixtrans-68-43.2174.7-63.90000111.2Y122 I123 A139 H144 K145 W146Y122-T142 HydrophobicContact CE1-CG2 4.2Å; Y122-T142 WeakPolarHBondContact OH-CB 3.4Å; Y122-T142 PolarHBondContact OH-OG1 3.29Å; I123-T142 HydrophobicContact CD1-CG2 4.12Å; A139-T142 PolarHBondContact O-N 2.94Å; T142-H144 PolarHBondContact O-N 3.27Å; T142-K145 PolarHBondContact O-N 3.48Å; T142-W146 HydrophobicContact CG2-CD2 3.86Å; T142-W146 HydrophobicContact CG2-CE3 4.38Å; T142-W146 HydrophobicContact CG2-CG 4.16Å; T142-W146 HydrophobicContact CG2-CZ2 4.01Å; T142-W146 WeakPolarHBondContact O-CB 3.34Å; T142-W146 PolarHBondContact O-N 2.8Å
143K98.6Very high97.9Very high42 Ų4263.1 Ų63.118%0.18335%0.346CS..Hα-helixtrans-13.5-85.5150.8172.8-115.1-174.8-176.20113.9I123 W132 A134 A139 Q140 K145 W146 E147I123-K143 HydrophobicContact CD1-CB 3.47Å; I123-K143 VanDerWaalsContact CD1-CB 3.47Å; W132-K143 HydrophobicContact CB-CB 3.94Å; W132-K143 HydrophobicContact CB-CD 3.95Å; W132-K143 HydrophobicContact CB-CG 3.79Å; W132-K143 HydrophobicContact CG-CB 4.32Å; W132-K143 HydrophobicContact CG-CG 4.36Å; A134-K143 HydrophobicContact CB-CD 4.19Å; A139-K143 PolarHBondContact O-N 2.85Å; Q140-K143 WeakPolarHBondContact O-CA 3.41Å; Q140-K143 PolarHBondContact O-N 3.14Å; K143-K145 VanDerWaalsContact C-N 3.3Å; K143-K145 PolarHBondContact O-N 2.88Å; K143-W146 PolarHBondContact O-N 3.45Å; K143-E147 WeakPolarHBondContact CE-OE1 3.32Å; K143-E147 VanDerWaalsContact CG-CD 3.49Å; K143-E147 HydrophobicContact CG-CG 4.04Å; K143-E147 WeakPolarHBondContact CG-OE1 3.3Å; K143-E147 WeakPolarHBondContact O-CG 3.5Å; K143-E147 PolarHBondContact O-N 3.23Å
144H98.4Very high97.8Very high116 Ų11666.5 Ų66.554%0.53736%0.356SS..Hα-helixtrans-63.3-35.6-172-64.7-49.7000112.8Q140 T142 E147 A148Q140-H144 PolarHBondContact O-CD2 2.94Å; Q140-H144 PolarHBondContact O-N 3.22Å; T142-H144 PolarHBondContact O-N 3.27Å; H144-E147 IonicContact ND1-OE2 3.98Å; H144-A148 VanDerWaalsContact O-CB 3.25Å; H144-A148 WeakPolarHBondContact O-CB 3.43Å; H144-A148 PolarHBondContact O-N 2.87Å
145K97.8Very high97.8Very high119 Ų11966.8 Ų66.852%0.51736%0.356SS..Hα-helixtrans-63.1-45.6176.2-72.5179.2177.3-1750111.7Y83 T141 T142 K143 A149Y83-K145 PolarHBondContact OH-NZ 2.94Å; T141-K145 WeakPolarHBondContact O-CG 3.43Å; T141-K145 PolarHBondContact O-N 2.78Å; T142-K145 PolarHBondContact O-N 3.48Å; K143-K145 VanDerWaalsContact C-N 3.3Å; K143-K145 PolarHBondContact O-N 2.88Å; K145-A149 VanDerWaalsContact O-CB 3.29Å; K145-A149 WeakPolarHBondContact O-CB 3.41Å; K145-A149 PolarHBondContact O-N 3.01Å
146W98.1Very high97.8Very high53 Ų5367.8 Ų67.820%0.20135%0.347CS..Hα-helixtrans-73.1-34.7-178.3-76.311.8000112.8H113 Y115 I123 W132 T142 K143 A149 H150 V151H113-W146 AromaticContact CE1-CH2 3.93Å; H113-W146 AromaticContact CE1-CZ3 3.95Å; Y115-W146 AromaticContact CD2-CH2 3.9Å; Y115-W146 HydrophobicContact CD2-CH2 3.9Å; Y115-W146 AromaticContact CE2-CH2 3.59Å; Y115-W146 HydrophobicContact CE2-CH2 3.59Å; Y115-W146 HydrophobicContact CE2-CZ2 4.43Å; Y115-W146 HydrophobicContact CE2-CZ3 4.47Å; I123-W146 HydrophobicContact CD1-CE3 4.06Å; I123-W146 HydrophobicContact CD1-CZ3 4.32Å; I123-W146 HydrophobicContact CG2-CH2 4.23Å; I123-W146 HydrophobicContact CG2-CZ3 3.97Å; W132-W146 HydrophobicContact CD2-CE3 4.08Å; W132-W146 AromaticContact CE2-CE3 3.87Å; W132-W146 AromaticContact CE3-CE3 3.88Å; W132-W146 HydrophobicContact CE3-CE3 3.88Å; W132-W146 HydrophobicContact CE3-CZ3 4.03Å; W132-W146 HydrophobicContact CH2-CD2 4.42Å; W132-W146 AromaticContact CH2-CE3 3.23Å; W132-W146 HydrophobicContact CH2-CE3 3.23Å; W132-W146 AromaticContact CH2-CZ3 3.33Å; W132-W146 HydrophobicContact CH2-CZ3 3.33Å; W132-W146 HydrophobicContact CZ2-CD2 4.39Å; W132-W146 AromaticContact CZ2-CE3 3.46Å; W132-W146 HydrophobicContact CZ2-CE3 3.46Å; W132-W146 VanDerWaalsContact CZ2-CE3 3.46Å; W132-W146 HydrophobicContact CZ2-CZ3 4.06Å; W132-W146 AromaticContact CZ3-CE3 3.48Å; W132-W146 HydrophobicContact CZ3-CE3 3.48Å; W132-W146 VanDerWaalsContact CZ3-CE3 3.48Å; W132-W146 AromaticContact CZ3-CZ3 3.32Å; W132-W146 HydrophobicContact CZ3-CZ3 3.32Å; T142-W146 HydrophobicContact CG2-CD2 3.86Å; T142-W146 HydrophobicContact CG2-CE3 4.38Å; T142-W146 HydrophobicContact CG2-CG 4.16Å; T142-W146 HydrophobicContact CG2-CZ2 4.01Å; T142-W146 WeakPolarHBondContact O-CB 3.34Å; T142-W146 PolarHBondContact O-N 2.8Å; K143-W146 PolarHBondContact O-N 3.45Å; W146-A149 CarbonylContact O-C 3.6Å; W146-A149 PolarHBondContact O-N 2.84Å; W146-H150 PolarHBondContact O-N 2.89Å; W146-H150 VanDerWaalsContact O-N 3.11Å; W146-V151 HydrophobicContact CB-CB 4.02Å; W146-V151 HydrophobicContact CB-CG2 3.95Å; W146-V151 HydrophobicContact CD2-CG1 4.28Å; W146-V151 HydrophobicContact CE3-CG1 4.46Å; W146-V151 HydrophobicContact CG-CB 4.18Å; W146-V151 HydrophobicContact CG-CG1 4.41Å; W146-V151 HydrophobicContact CG-CG2 3.92Å; W146-V151 PolarHBondContact O-N 2.74Å
147E98.4Very high97.8Very high77 Ų7768.2 Ų68.236%0.3636%0.359SS..Hα-helixtrans-64.9-48171.8-72.4175.3160.400111.2K143 H144 A149 H150K143-E147 WeakPolarHBondContact CE-OE1 3.32Å; K143-E147 VanDerWaalsContact CG-CD 3.49Å; K143-E147 HydrophobicContact CG-CG 4.04Å; K143-E147 WeakPolarHBondContact CG-OE1 3.3Å; K143-E147 WeakPolarHBondContact O-CG 3.5Å; K143-E147 PolarHBondContact O-N 3.23Å; H144-E147 IonicContact ND1-OE2 3.98Å; E147-A149 PolarHBondContact O-N 2.87Å; E147-H150 PolarHBondContact O-N 3.43Å; E147-H150 VanDerWaalsContact O-N 3.09Å
148A98.2Very high97.9Very high80 Ų8063.8 Ų63.866%0.66133%0.334SS*.Hα-helixtrans-63-30.6177.500000113.2H144H144-A148 VanDerWaalsContact O-CB 3.25Å; H144-A148 WeakPolarHBondContact O-CB 3.43Å; H144-A148 PolarHBondContact O-N 2.87Å
149A97.9Very high98Very high60 Ų6063.2 Ų63.250%0.49633%0.329SS..THydrogen-bonded Turntrans-91.15.6177.200000113.8K145 W146 E147 V151K145-A149 VanDerWaalsContact O-CB 3.29Å; K145-A149 WeakPolarHBondContact O-CB 3.41Å; K145-A149 PolarHBondContact O-N 3.01Å; W146-A149 CarbonylContact O-C 3.6Å; W146-A149 PolarHBondContact O-N 2.84Å; E147-A149 PolarHBondContact O-N 2.87Å; A149-V151 HydrophobicContact CB-CG2 3.99Å; A149-V151 PolarHBondContact O-N 3.4Å; A149-V151 VanDerWaalsContact O-N 3.15Å
150H97.3Very high98Very high112 Ų11266.9 Ų66.952%0.51935%0.346SS..THydrogen-bonded Turntrans53.133.7179.9-63.5-93.4000114.2W146 E147 A152 E153W146-H150 PolarHBondContact O-N 2.89Å; W146-H150 VanDerWaalsContact O-N 3.11Å; E147-H150 PolarHBondContact O-N 3.43Å; E147-H150 VanDerWaalsContact O-N 3.09Å; H150-A152 PolarHBondContact O-N 2.86Å; H150-E153 HydrophobicContact CB-CG 4.45Å; H150-E153 IonicContact CE1-OE1 3.93Å; H150-E153 IonicContact CG-OE1 3.73Å; H150-E153 IonicContact ND1-OE1 2.93Å; H150-E153 PolarHBondContact ND1-OE1 2.85Å; H150-E153 PolarHBondContact O-N 2.83Å; H150-E153 VanDerWaalsContact O-N 3.09Å
151V98.1Very high98Very high28 Ų2865.4 Ų65.417%0.1735%0.346CS..Hα-helixtrans-59.8-33.4-175175.80000112W132 W146 A149 E153 Q154 L155W132-V151 HydrophobicContact CZ2-CB 4.34Å; W132-V151 HydrophobicContact CZ2-CG1 4.12Å; W146-V151 HydrophobicContact CB-CB 4.02Å; W146-V151 HydrophobicContact CB-CG2 3.95Å; W146-V151 HydrophobicContact CD2-CG1 4.28Å; W146-V151 HydrophobicContact CE3-CG1 4.46Å; W146-V151 HydrophobicContact CG-CB 4.18Å; W146-V151 HydrophobicContact CG-CG1 4.41Å; W146-V151 HydrophobicContact CG-CG2 3.92Å; W146-V151 PolarHBondContact O-N 2.74Å; A149-V151 HydrophobicContact CB-CG2 3.99Å; A149-V151 PolarHBondContact O-N 3.4Å; A149-V151 VanDerWaalsContact O-N 3.15Å; V151-E153 VanDerWaalsContact C-N 3.27Å; V151-E153 PolarHBondContact O-N 3.08Å; V151-Q154 PolarHBondContact O-N 2.82Å; V151-L155 HydrophobicContact CG1-CD1 3.86Å; V151-L155 HydrophobicContact CG1-CG 4.22Å; V151-L155 WeakPolarHBondContact O-CG 3.36Å; V151-L155 PolarHBondContact O-N 2.85Å; V151-L155 VanDerWaalsContact O-N 3.13Å
152A98.3Very high98Very high8 Ų865.4 Ų65.47%0.06635%0.346CS..Hα-helixtrans-60.3-35.2178.900000112.6L125 W132 H150 L155 R156L125-A152 HydrophobicContact CD1-CB 4.04Å; W132-A152 HydrophobicContact CZ2-CB 4.21Å; H150-A152 PolarHBondContact O-N 2.86Å; A152-L155 PolarHBondContact O-N 2.83Å; A152-R156 WeakPolarHBondContact O-CB 3.33Å; A152-R156 PolarHBondContact O-N 2.85Å
153E97.5Very high98Very high124 Ų12464.6 Ų64.658%0.57934%0.341SS*.Hα-helixtrans-66.5-42.4-179.4-64.6175.5-158.300111.6H150 V151 R156 A157H150-E153 HydrophobicContact CB-CG 4.45Å; H150-E153 IonicContact CE1-OE1 3.93Å; H150-E153 IonicContact CG-OE1 3.73Å; H150-E153 IonicContact ND1-OE1 2.93Å; H150-E153 PolarHBondContact ND1-OE1 2.85Å; H150-E153 PolarHBondContact O-N 2.83Å; H150-E153 VanDerWaalsContact O-N 3.09Å; V151-E153 VanDerWaalsContact C-N 3.27Å; V151-E153 PolarHBondContact O-N 3.08Å; E153-R156 PolarHBondContact O-N 2.74Å; E153-A157 PolarHBondContact O-N 2.89Å
154Q96.6Very high98Very high145 Ų14563 Ų6368%0.67833%0.334SS*.Hα-helixtrans-65.3-44.1176.6-64.3-178.9-8.800111.6V151 A157 Y158V151-Q154 PolarHBondContact O-N 2.82Å; Q154-A157 PolarHBondContact O-N 2.94Å; Q154-Y158 PolarHBondContact O-N 2.9Å; Q154-Y158 VanDerWaalsContact O-N 3.12Å
155L98Very high98Very high23 Ų2363.5 Ų63.512%0.1234%0.337CS..Hα-helixtrans-64.8-41.9177.6-69.1174.2000111.4H113 L125 W132 V151 A152 A157 Y158 L159H113-L155 HydrophobicContact CB-CD1 4.32Å; L125-L155 HydrophobicContact CD2-CB 4.36Å; W132-L155 HydrophobicContact CH2-CD1 3.41Å; W132-L155 VanDerWaalsContact CH2-CD1 3.41Å; W132-L155 HydrophobicContact CZ2-CD1 3.89Å; V151-L155 HydrophobicContact CG1-CD1 3.86Å; V151-L155 HydrophobicContact CG1-CG 4.22Å; V151-L155 WeakPolarHBondContact O-CG 3.36Å; V151-L155 PolarHBondContact O-N 2.85Å; V151-L155 VanDerWaalsContact O-N 3.13Å; A152-L155 PolarHBondContact O-N 2.83Å; L155-A157 PolarHBondContact O-N 2.81Å; L155-Y158 PolarHBondContact O-N 2.89Å; L155-L159 WeakPolarHBondContact O-CB 3.19Å; L155-L159 WeakPolarHBondContact O-CG 3.45Å; L155-L159 PolarHBondContact O-N 3.43Å
156R98.3Very high98Very high79 Ų7960.9 Ų60.930%0.29832%0.324SS..Hα-helixtrans-59.2-46.4175.9-177.1173.9-179.3-137.7-16.8111.6L129 R130 A152 E153 Y158 L159 E160L129-R156 HydrophobicContact CB-CB 4.11Å; L129-R156 HydrophobicContact CB-CG 3.91Å; L129-R156 HydrophobicContact CD1-CG 4.01Å; R130-R156 VanDerWaalsContact NH2-NH1 3.17Å; A152-R156 WeakPolarHBondContact O-CB 3.33Å; A152-R156 PolarHBondContact O-N 2.85Å; E153-R156 PolarHBondContact O-N 2.74Å; R156-Y158 VanDerWaalsContact C-N 3.31Å; R156-Y158 PolarHBondContact O-N 2.84Å; R156-L159 PolarHBondContact O-N 2.98Å; R156-E160 HydrophobicContact CG-CG 4.14Å; R156-E160 IonicContact CZ-OE1 3.41Å; R156-E160 IonicContact CZ-OE2 3.66Å; R156-E160 IonicContact NE-OE1 2.77Å; R156-E160 PolarHBondContact NE-OE1 2.72Å; R156-E160 IonicContact NE-OE2 3.37Å; R156-E160 PolarHBondContact NE-OE2 3.15Å; R156-E160 IonicContact NH2-OE1 3.14Å; R156-E160 PolarHBondContact NH2-OE1 3.17Å; R156-E160 VanDerWaalsContact NH2-OE1 3.14Å; R156-E160 IonicContact NH2-OE2 3.23Å; R156-E160 PolarHBondContact NH2-OE2 3.47Å; R156-E160 WeakPolarHBondContact O-CB 3.43Å; R156-E160 PolarHBondContact O-N 3.48Å
157A98.2Very high98Very high67 Ų6758.4 Ų58.455%0.55432%0.315SS*.Hα-helixtrans-59.1-42.117700000112.3E153 Q154 L155 G161E153-A157 PolarHBondContact O-N 2.89Å; Q154-A157 PolarHBondContact O-N 2.94Å; L155-A157 PolarHBondContact O-N 2.81Å; A157-G161 PolarHBondContact O-N 3.01Å; A157-G161 VanDerWaalsContact O-N 3.16Å
158Y98.1Very high97.9Very high65 Ų6560.1 Ų60.126%0.25532%0.318SS..Iπ-helixtrans-65.5-47.2174.5171-97.2000112.4Y98 Q154 L155 R156 T162 C163Y98-Y158 AromaticContact CD2-CE1 3.9Å; Y98-Y158 HydrophobicContact CD2-CE1 3.9Å; Y98-Y158 AromaticContact CE2-CE1 3.84Å; Y98-Y158 HydrophobicContact CE2-CE1 3.84Å; Q154-Y158 PolarHBondContact O-N 2.9Å; Q154-Y158 VanDerWaalsContact O-N 3.12Å; L155-Y158 PolarHBondContact O-N 2.89Å; R156-Y158 VanDerWaalsContact C-N 3.31Å; R156-Y158 PolarHBondContact O-N 2.84Å; Y158-T162 HydrophobicContact CD2-CG2 4.04Å; Y158-T162 HydrophobicContact CE2-CG2 3.95Å; Y158-T162 PolarHBondContact O-N 3.46Å; Y158-T162 VanDerWaalsContact O-N 3.17Å; Y158-C163 HydrophobicContact CD1-CB 4.35Å; Y158-C163 HydrophobicContact CE1-CB 3.93Å; Y158-C163 WeakPolarHBondContact O-CB 3.17Å; Y158-C163 PolarHBondContact O-N 2.99Å
159L98.6Very high97.9Very high2 Ų262.2 Ų62.21%0.0131%0.309CS..Iπ-helixtrans-69.7-42.4-173.5-70.7171.1000112.7G99 F108 L125 L129 L155 R156G99-L159 VanDerWaalsContact O-CD2 3.23Å; G99-L159 WeakPolarHBondContact O-CD2 3.43Å; F108-L159 WeakPolarHBondContact CE2-O 3.27Å; L125-L159 HydrophobicContact CD2-CD1 3.94Å; L129-L159 HydrophobicContact CD2-CD1 4.1Å; L155-L159 WeakPolarHBondContact O-CB 3.19Å; L155-L159 WeakPolarHBondContact O-CG 3.45Å; L155-L159 PolarHBondContact O-N 3.43Å; R156-L159 PolarHBondContact O-N 2.98Å
160E98.2Very high97.9Very high76 Ų7659.4 Ų59.436%0.35529%0.285SS..Iπ-helixtrans-78.8-25.2179.3-67.4-177.8176.500112.6F108 L129 R156F108-E160 HydrophobicContact CD1-CG 4.06Å; F108-E160 HydrophobicContact CD2-CG 4.46Å; F108-E160 HydrophobicContact CE1-CG 3.92Å; F108-E160 HydrophobicContact CE2-CG 4.33Å; F108-E160 HydrophobicContact CG-CG 4.33Å; F108-E160 HydrophobicContact CZ-CG 4.07Å; L129-E160 HydrophobicContact CD1-CG 3.94Å; R156-E160 HydrophobicContact CG-CG 4.14Å; R156-E160 IonicContact CZ-OE1 3.41Å; R156-E160 IonicContact CZ-OE2 3.66Å; R156-E160 IonicContact NE-OE1 2.77Å; R156-E160 PolarHBondContact NE-OE1 2.72Å; R156-E160 IonicContact NE-OE2 3.37Å; R156-E160 PolarHBondContact NE-OE2 3.15Å; R156-E160 IonicContact NH2-OE1 3.14Å; R156-E160 PolarHBondContact NH2-OE1 3.17Å; R156-E160 VanDerWaalsContact NH2-OE1 3.14Å; R156-E160 IonicContact NH2-OE2 3.23Å; R156-E160 PolarHBondContact NH2-OE2 3.47Å; R156-E160 WeakPolarHBondContact O-CB 3.43Å; R156-E160 PolarHBondContact O-N 3.48Å
161G97.9Very high97.8Very high25 Ų2554.1 Ų54.126%0.25826%0.261SS..Iπ-helixtrans-108.2-91.6-177.600000112.9A157 C163 V164 E165A157-G161 PolarHBondContact O-N 3.01Å; A157-G161 VanDerWaalsContact O-N 3.16Å; G161-C163 VanDerWaalsContact C-N 3.29Å; G161-C163 PolarHBondContact O-N 2.79Å; G161-C163 VanDerWaalsContact O-N 3.16Å; G161-V164 WeakPolarHBondContact O-CB 3.29Å; G161-V164 PolarHBondContact O-N 3.14Å; G161-E165 PolarHBondContact O-N 3.01Å
162T97.8Very high97.7Very high56 Ų5658.7 Ų58.734%0.34428%0.28SS..Iπ-helixtrans-53.8-40.1-170.3-55.70000113.7Y158 E165 W166Y158-T162 HydrophobicContact CD2-CG2 4.04Å; Y158-T162 HydrophobicContact CE2-CG2 3.95Å; Y158-T162 PolarHBondContact O-N 3.46Å; Y158-T162 VanDerWaalsContact O-N 3.17Å; T162-E165 PolarHBondContact O-N 3.17Å; T162-W166 PolarHBondContact O-N 3.24Å
163C98.4Very high97.6Very high0 Ų060.5 Ų60.50%029%0.289CS..Hα-helixtrans-61-45.9177.6-175.90000111.6M4 C100 Y158 G161 W166 L167M4-C163 HydrophobicContact CE-CB 4.14Å; M4-C163 VanDerWaalsContact CE-O 3.27Å; M4-C163 WeakPolarHBondContact CE-O 3.27Å; M4-C163 WeakPolarHBondContact CE-SG 3.46Å; C100-C163 HydrophobicContact CB-CB 3.9Å; C100-C163 WeakPolarHBondContact CB-SG 3.34Å; C100-C163 PolarHBondContact N-SG 3.15Å; C100-C163 VanDerWaalsContact N-SG 3.36Å; C100-C163 WeakPolarHBondContact SG-CB 3.35Å; C100-C163 CovalentContact SG-SG 2.04Å; C100-C163 PolarHBondContact SG-SG 3.13Å; Y158-C163 HydrophobicContact CD1-CB 4.35Å; Y158-C163 HydrophobicContact CE1-CB 3.93Å; Y158-C163 WeakPolarHBondContact O-CB 3.17Å; Y158-C163 PolarHBondContact O-N 2.99Å; G161-C163 VanDerWaalsContact C-N 3.29Å; G161-C163 PolarHBondContact O-N 2.79Å; G161-C163 VanDerWaalsContact O-N 3.16Å; C163-W166 PolarHBondContact O-N 3.36Å; C163-L167 WeakPolarHBondContact O-CB 3.48Å; C163-L167 PolarHBondContact O-N 3.33Å
164V98.4Very high97.5Very high7 Ų754.7 Ų54.74%0.04226%0.262CS..Hα-helixtrans-66.1-40.8178.8173.60000111.1V102 F108 G161 L167 R168V102-V164 HydrophobicContact CG1-CB 4.37Å; V102-V164 HydrophobicContact CG1-CG1 3.85Å; V102-V164 HydrophobicContact CG1-CG2 4Å; F108-V164 HydrophobicContact CB-CG2 4.07Å; F108-V164 HydrophobicContact CD2-CG2 3.75Å; F108-V164 HydrophobicContact CG-CG2 4.41Å; G161-V164 WeakPolarHBondContact O-CB 3.29Å; G161-V164 PolarHBondContact O-N 3.14Å; V164-L167 PolarHBondContact O-N 3.47Å; V164-R168 VanDerWaalsContact O-CG 3.31Å; V164-R168 WeakPolarHBondContact O-CG 3.43Å; V164-R168 PolarHBondContact O-N 3.07Å
165E97.9Very high97.4Very high128 Ų12853 Ų5360%0.59825%0.252SS*.Hα-helixtrans-60.9-47.2176.6-69.6174.1170.900111.8G161 T162 R168 R169G161-E165 PolarHBondContact O-N 3.01Å; T162-E165 PolarHBondContact O-N 3.17Å; E165-R168 PolarHBondContact O-N 3.3Å; E165-R169 PolarHBondContact O-N 2.97Å
166W97.9Very high97.2Very high64 Ų6460.4 Ų60.424%0.24229%0.286CS..Hα-helixtrans-64.6-44.3176.2-80.9112.3000112.3M4 Y58 T162 C163 R168 R169 Y170M4-W166 HydrophobicContact CE-CB 4.01Å; M4-W166 HydrophobicContact SD-CB 4.31Å; Y58-W166 AromaticContact CD2-CH2 3.56Å; Y58-W166 HydrophobicContact CD2-CH2 3.56Å; Y58-W166 HydrophobicContact CD2-CZ2 4.34Å; Y58-W166 AromaticContact CD2-CZ3 3.79Å; Y58-W166 HydrophobicContact CD2-CZ3 3.79Å; Y58-W166 HydrophobicContact CE2-CE3 4.25Å; Y58-W166 AromaticContact CE2-CH2 3.82Å; Y58-W166 HydrophobicContact CE2-CH2 3.82Å; Y58-W166 HydrophobicContact CE2-CZ2 4.47Å; Y58-W166 AromaticContact CE2-CZ3 3.68Å; Y58-W166 HydrophobicContact CE2-CZ3 3.68Å; T162-W166 PolarHBondContact O-N 3.24Å; C163-W166 PolarHBondContact O-N 3.36Å; W166-R168 VanDerWaalsContact C-N 3.31Å; W166-R168 PolarHBondContact O-N 3.17Å; W166-R169 PolarHBondContact O-N 2.59Å; W166-R169 VanDerWaalsContact O-N 3.17Å; W166-Y170 HydrophobicContact CB-CE2 4.04Å; W166-Y170 HydrophobicContact CE3-CD1 4.39Å; W166-Y170 AromaticContact CE3-CE1 3.47Å; W166-Y170 HydrophobicContact CE3-CE1 3.47Å; W166-Y170 VanDerWaalsContact CE3-CE1 3.47Å; W166-Y170 HydrophobicContact CE3-CE2 4.43Å; W166-Y170 AromaticContact CE3-CZ 3.49Å; W166-Y170 VanDerWaalsContact CE3-CZ 3.49Å; W166-Y170 VanDerWaalsContact CE3-OH 3.29Å; W166-Y170 AromaticContact CZ3-CE1 3.93Å; W166-Y170 HydrophobicContact CZ3-CE1 3.93Å; W166-Y170 WeakPolarHBondContact O-CD2 3.36Å; W166-Y170 PolarHBondContact O-N 2.94Å
167L98.3Very high96.9Very high0 Ų058.8 Ų58.80%029%0.286CS..Hα-helixtrans-58.6-43.9177.6177.251.6000111.4H2 M4 V27 V102 C163 V164 R169 Y170 L171H2-L167 HydrophobicContact CB-CD1 4.47Å; M4-L167 HydrophobicContact CB-CB 4.13Å; M4-L167 HydrophobicContact CB-CD1 4.01Å; M4-L167 HydrophobicContact CB-CD2 4.18Å; M4-L167 HydrophobicContact CB-CG 4.32Å; V27-L167 HydrophobicContact CG1-CD1 3.63Å; V27-L167 HydrophobicContact CG2-CD1 4.24Å; V102-L167 HydrophobicContact CB-CD2 4.41Å; V102-L167 HydrophobicContact CG1-CD2 3.97Å; V102-L167 HydrophobicContact CG2-CD2 3.7Å; V102-L167 HydrophobicContact CG2-CG 4.28Å; C163-L167 WeakPolarHBondContact O-CB 3.48Å; C163-L167 PolarHBondContact O-N 3.33Å; V164-L167 PolarHBondContact O-N 3.47Å; L167-R169 PolarHBondContact O-N 3.09Å; L167-Y170 PolarHBondContact O-N 3.14Å; L167-L171 HydrophobicContact CD1-CD1 3.48Å; L167-L171 VanDerWaalsContact CD1-CD1 3.48Å; L167-L171 HydrophobicContact CD1-CG 3.92Å; L167-L171 HydrophobicContact CG-CD1 3.74Å; L167-L171 WeakPolarHBondContact O-CB 3.38Å; L167-L171 WeakPolarHBondContact O-CD1 3.41Å; L167-L171 VanDerWaalsContact O-CG 3.31Å; L167-L171 WeakPolarHBondContact O-CG 3.37Å; L167-L171 PolarHBondContact O-N 2.94Å
168R96.8Very high96.7Very high114 Ų11455.8 Ų55.843%0.4326%0.26SS..Hα-helixtrans-61.1-45.1175.1-73.2174.1-177.7-179.72.3112W106 V164 E165 W166 Y170 L171 E172W106-R168 HydrophobicContact CE3-CG 4.12Å; W106-R168 VanDerWaalsContact O-CZ 3.31Å; W106-R168 PolarHBondContact O-NE 3.15Å; W106-R168 VanDerWaalsContact O-NE 3.11Å; W106-R168 PolarHBondContact O-NH2 3.21Å; V164-R168 VanDerWaalsContact O-CG 3.31Å; V164-R168 WeakPolarHBondContact O-CG 3.43Å; V164-R168 PolarHBondContact O-N 3.07Å; E165-R168 PolarHBondContact O-N 3.3Å; W166-R168 VanDerWaalsContact C-N 3.31Å; W166-R168 PolarHBondContact O-N 3.17Å; R168-Y170 PolarHBondContact O-N 3.2Å; R168-L171 PolarHBondContact O-N 2.93Å; R168-E172 PolarHBondContact O-N 3.27Å
169R96.8Very high96.4Very high124 Ų12456 Ų5647%0.46826%0.263SS..Hα-helixtrans-60-45.7176.7179.4178.8174.9118-5.4111.4E54 E165 W166 L167 E172 N173E54-R169 IonicContact OE1-CZ 3.04Å; E54-R169 IonicContact OE1-NE 2.7Å; E54-R169 PolarHBondContact OE1-NE 2.98Å; E54-R169 IonicContact OE1-NH2 2.73Å; E54-R169 PolarHBondContact OE1-NH2 3.09Å; E54-R169 IonicContact OE2-CZ 2.83Å; E54-R169 IonicContact OE2-NE 3.62Å; E54-R169 IonicContact OE2-NH2 3.85Å; E54-R169 PolarHBondContact OE2-NH2 3.16Å; E165-R169 PolarHBondContact O-N 2.97Å; W166-R169 PolarHBondContact O-N 2.59Å; W166-R169 VanDerWaalsContact O-N 3.17Å; L167-R169 PolarHBondContact O-N 3.09Å; R169-E172 PolarHBondContact O-N 3.13Å; R169-N173 WeakPolarHBondContact O-CB 3.46Å; R169-N173 PolarHBondContact O-N 2.84Å; R169-N173 PolarHBondContact O-OD1 2.89Å
170Y97.6Very high96.2Very high1 Ų159.6 Ų59.60%0.00428%0.277CS..Hα-helixtrans-66.2-37.8179.1-61.2-25.4000112.7M4 V27 F32 W50 I51 Y58 W166 L167 R168 E172 N173 G174 L178M4-Y170 HydrophobicContact SD-CD2 3.77Å; M4-Y170 HydrophobicContact SD-CE2 3.5Å; M4-Y170 VanDerWaalsContact SD-CE2 3.5Å; V27-Y170 HydrophobicContact CG2-CD2 3.96Å; F32-Y170 HydrophobicContact CD2-CE2 4.48Å; F32-Y170 HydrophobicContact CE2-CD2 4.26Å; F32-Y170 AromaticContact CE2-CE2 3.67Å; F32-Y170 HydrophobicContact CE2-CE2 3.67Å; F32-Y170 AromaticContact CE2-CZ 3.99Å; F32-Y170 HydrophobicContact CZ-CD2 4.3Å; F32-Y170 AromaticContact CZ-CE2 3.78Å; F32-Y170 HydrophobicContact CZ-CE2 3.78Å; W50-Y170 HydrophobicContact CH2-CG 4.31Å; W50-Y170 AromaticContact CZ3-CD1 3.96Å; W50-Y170 HydrophobicContact CZ3-CD1 3.96Å; W50-Y170 HydrophobicContact CZ3-CD2 4.5Å; W50-Y170 AromaticContact CZ3-CG 3.8Å; W50-Y170 HydrophobicContact CZ3-CG 3.8Å; I51-Y170 HydrophobicContact CD1-CD1 3.66Å; I51-Y170 HydrophobicContact CD1-CE1 3.32Å; Y58-Y170 HydrophobicContact CE2-CE1 4.37Å; Y58-Y170 WeakPolarHBondContact CE2-OH 3.46Å; Y58-Y170 PolarHBondContact OH-OH 3.17Å; W166-Y170 HydrophobicContact CB-CE2 4.04Å; W166-Y170 HydrophobicContact CE3-CD1 4.39Å; W166-Y170 AromaticContact CE3-CE1 3.47Å; W166-Y170 HydrophobicContact CE3-CE1 3.47Å; W166-Y170 VanDerWaalsContact CE3-CE1 3.47Å; W166-Y170 HydrophobicContact CE3-CE2 4.43Å; W166-Y170 AromaticContact CE3-CZ 3.49Å; W166-Y170 VanDerWaalsContact CE3-CZ 3.49Å; W166-Y170 VanDerWaalsContact CE3-OH 3.29Å; W166-Y170 AromaticContact CZ3-CE1 3.93Å; W166-Y170 HydrophobicContact CZ3-CE1 3.93Å; W166-Y170 WeakPolarHBondContact O-CD2 3.36Å; W166-Y170 PolarHBondContact O-N 2.94Å; L167-Y170 PolarHBondContact O-N 3.14Å; R168-Y170 PolarHBondContact O-N 3.2Å; Y170-E172 VanDerWaalsContact C-N 3.31Å; Y170-E172 PolarHBondContact O-N 2.81Å; Y170-N173 PolarHBondContact O-N 3.35Å; Y170-G174 PolarHBondContact O-N 3.32Å; Y170-L178 WeakPolarHBondContact O-CD1 3.21Å
171L96.2Very high96.1Very high0 Ų058.7 Ų58.70%028%0.277CS..Hα-helixtrans-68-30.5176.1-75163.4000112.9H2 V27 W106 L167 R168 K175 L178 Q179H2-L171 HydrophobicContact CB-CD1 3.44Å; H2-L171 VanDerWaalsContact CB-CD1 3.44Å; H2-L171 HydrophobicContact CB-CD2 4.21Å; H2-L171 HydrophobicContact CB-CG 4.47Å; V27-L171 HydrophobicContact CG1-CD2 3.99Å; V27-L171 HydrophobicContact CG1-CG 4.26Å; W106-L171 HydrophobicContact CE3-CD1 4.3Å; W106-L171 HydrophobicContact CH2-CB 4.13Å; W106-L171 HydrophobicContact CH2-CD1 4.19Å; W106-L171 HydrophobicContact CZ3-CB 3.82Å; W106-L171 HydrophobicContact CZ3-CD1 3.41Å; W106-L171 VanDerWaalsContact CZ3-CD1 3.41Å; W106-L171 HydrophobicContact CZ3-CG 4.19Å; L167-L171 HydrophobicContact CD1-CD1 3.48Å; L167-L171 VanDerWaalsContact CD1-CD1 3.48Å; L167-L171 HydrophobicContact CD1-CG 3.92Å; L167-L171 HydrophobicContact CG-CD1 3.74Å; L167-L171 WeakPolarHBondContact O-CB 3.38Å; L167-L171 WeakPolarHBondContact O-CD1 3.41Å; L167-L171 VanDerWaalsContact O-CG 3.31Å; L167-L171 WeakPolarHBondContact O-CG 3.37Å; L167-L171 PolarHBondContact O-N 2.94Å; R168-L171 PolarHBondContact O-N 2.93Å; L171-K175 VanDerWaalsContact O-CA 3.23Å; L171-K175 WeakPolarHBondContact O-CA 3.38Å; L171-K175 PolarHBondContact O-N 2.88Å; L171-K175 VanDerWaalsContact O-N 3.17Å; L171-L178 HydrophobicContact CD2-CB 3.88Å; L171-L178 HydrophobicContact CD2-CD1 4.09Å; L171-Q179 HydrophobicContact CD2-CG 4.41Å; L171-Q179 PolarHBondContact O-NE2 3.3Å
172E95.8Very high96Very high125 Ų12560 Ų6058%0.58428%0.278SS*.Hα-helixtrans-72.9-49171.2-170.460.5-150.400110.9R168 R169 Y170 G174 K175R168-E172 PolarHBondContact O-N 3.27Å; R169-E172 PolarHBondContact O-N 3.13Å; Y170-E172 VanDerWaalsContact C-N 3.31Å; Y170-E172 PolarHBondContact O-N 2.81Å; E172-G174 VanDerWaalsContact C-N 3.31Å; E172-G174 PolarHBondContact O-N 3.19Å; E172-K175 WeakPolarHBondContact O-CB 3.41Å; E172-K175 PolarHBondContact O-N 2.98Å
173N96.4Very high96Very high45 Ų4559.6 Ų59.624%0.24128%0.28CS..Hα-helixtrans-57.9-43.1178.4-69.9-1.9000112.5Q53 E54 R169 Y170Q53-N173 PolarHBondContact NE2-ND2 3.44Å; Q53-N173 PolarHBondContact NE2-OD1 3.49Å; Q53-N173 VanDerWaalsContact NE2-OD1 3.07Å; E54-N173 PolarHBondContact OE1-ND2 2.7Å; E54-N173 VanDerWaalsContact OE1-ND2 3.1Å; R169-N173 WeakPolarHBondContact O-CB 3.46Å; R169-N173 PolarHBondContact O-N 2.84Å; R169-N173 PolarHBondContact O-OD1 2.89Å; Y170-N173 PolarHBondContact O-N 3.35Å
174G95.9Very high96Very high2 Ų260 Ų602%0.02128%0.283CS..THydrogen-bonded Turntrans-100.819.5-176.400000113.9W50 Y170 E172 E176 T177 L178W50-G174 VanDerWaalsContact CG-CA 3.49Å; Y170-G174 PolarHBondContact O-N 3.32Å; E172-G174 VanDerWaalsContact C-N 3.31Å; E172-G174 PolarHBondContact O-N 3.19Å; G174-E176 VanDerWaalsContact C-N 3.28Å; G174-E176 PolarHBondContact O-N 3.07Å; G174-E176 VanDerWaalsContact O-N 3.15Å; G174-T177 PolarHBondContact O-N 3.45Å; G174-L178 WeakPolarHBondContact O-CB 3.39Å; G174-L178 PolarHBondContact O-N 2.89Å
175K94.5Very high96Very high109 Ų10966.5 Ų66.547%0.47431%0.31SS..Hα-helixtrans-48.7-45.5-171.3-177.4174.3-176.2174.30113.9L171 E172 T177 Q179L171-K175 VanDerWaalsContact O-CA 3.23Å; L171-K175 WeakPolarHBondContact O-CA 3.38Å; L171-K175 PolarHBondContact O-N 2.88Å; L171-K175 VanDerWaalsContact O-N 3.17Å; E172-K175 WeakPolarHBondContact O-CB 3.41Å; E172-K175 PolarHBondContact O-N 2.98Å; K175-T177 PolarHBondContact O-N 2.87Å; K175-Q179 WeakPolarHBondContact O-CB 3.49Å; K175-Q179 PolarHBondContact O-N 2.86Å
176E92.6Very high95.9Very high179 Ų17962.2 Ų62.284%0.83629%0.293SS*.Hα-helixtrans-65.7-24.4-179.6-62.9-174.8167.500113.7G174G174-E176 VanDerWaalsContact C-N 3.28Å; G174-E176 PolarHBondContact O-N 3.07Å; G174-E176 VanDerWaalsContact O-N 3.15Å
177T92.6Very high95.8Very high46 Ų4662.9 Ų62.928%0.28230%0.299SS..Hα-helixtrans-103-42.9-178-54.20000112.4G174 K175 R180G174-T177 PolarHBondContact O-N 3.45Å; K175-T177 PolarHBondContact O-N 2.87Å; T177-R180 WeakPolarHBondContact O-CD 3.44Å; T177-R180 VanDerWaalsContact O-CG 3.28Å; T177-R180 WeakPolarHBondContact O-CG 3.22Å; T177-R180 PolarHBondContact O-NE 3.31Å
178L93.6Very high95.7Very high4 Ų464.6 Ų64.62%0.02131%0.307CS..Hα-helixtrans-83.9-28.9-172.5-63.6172.1000112.8V27 T30 W50 Y170 L171 G174V27-L178 HydrophobicContact CB-CD1 4.27Å; V27-L178 HydrophobicContact CB-CD2 4.15Å; V27-L178 HydrophobicContact CG1-CD1 3.9Å; V27-L178 HydrophobicContact CG1-CD2 4.12Å; T30-L178 HydrophobicContact CG2-CD2 4.07Å; W50-L178 HydrophobicContact CD2-CD1 4.4Å; W50-L178 HydrophobicContact CH2-CD1 4.26Å; W50-L178 HydrophobicContact CZ2-CD1 3.8Å; W50-L178 HydrophobicContact CZ2-CD2 4.04Å; W50-L178 HydrophobicContact CZ2-CG 4.31Å; Y170-L178 WeakPolarHBondContact O-CD1 3.21Å; L171-L178 HydrophobicContact CD2-CB 3.88Å; L171-L178 HydrophobicContact CD2-CD1 4.09Å; G174-L178 WeakPolarHBondContact O-CB 3.39Å; G174-L178 PolarHBondContact O-N 2.89Å
179Q92.2Very high95.6Very high69 Ų6960.8 Ų60.832%0.32230%0.296SS..SBendtrans-104.412.7179.3-54-179.736.700112.1L171 K175L171-Q179 HydrophobicContact CD2-CG 4.41Å; L171-Q179 PolarHBondContact O-NE2 3.3Å; K175-Q179 WeakPolarHBondContact O-CB 3.49Å; K175-Q179 PolarHBondContact O-N 2.86Å
180R94.4Very high95.4Very high78 Ų7858.1 Ų58.129%0.29429%0.289SS..  trans-77.4159.1171.780.6-171.6171.2176.24.1110.2T177 D182 Y208T177-R180 WeakPolarHBondContact O-CD 3.44Å; T177-R180 VanDerWaalsContact O-CG 3.28Å; T177-R180 WeakPolarHBondContact O-CG 3.22Å; T177-R180 PolarHBondContact O-NE 3.31Å; R180-D182 IonicContact CZ-OD2 2.71Å; R180-D182 IonicContact NE-OD2 3.41Å; R180-D182 PolarHBondContact NE-OD2 2.89Å; R180-Y208 HydrophobicContact CG-CD1 3.83Å; R180-Y208 HydrophobicContact CG-CE1 4.27Å; R180-Y208 WeakPolarHBondContact O-CD1 3.34Å
181T95.3Very high95.2Very high57 Ų5762.2 Ų62.235%0.3531%0.308SS..  trans-137.6115.3171.1-34.70000108.9Y208 E263T181-Y208 WeakPolarHBondContact CA-O 3.3Å; T181-Y208 WeakPolarHBondContact CG2-O 3.48Å; T181-E263 HydrophobicContact CG2-CB 4.01Å; T181-E263 HydrophobicContact CG2-CG 4.12Å
182D96.6Very high95Very high53 Ų5366 Ų6628%0.28334%0.339SS..BIsolated β-bridgetrans-104116-177.6-62.8-36000108.5R180 F207 Y208 H262R180-D182 IonicContact CZ-OD2 2.71Å; R180-D182 IonicContact NE-OD2 3.41Å; R180-D182 PolarHBondContact NE-OD2 2.89Å; D182-F207 VanDerWaalsContact O-CA 3.31Å; D182-F207 WeakPolarHBondContact O-CA 3.11Å; D182-F207 WeakPolarHBondContact O-CB 3.47Å; D182-Y208 PolarHBondContact N-O 3.08Å; D182-Y208 PolarHBondContact O-N 2.98Å; D182-H262 PolarHBondContact O-CE1 3.35Å
183A97.9Very high94.6Very high47 Ų4764.4 Ų64.439%0.38834%0.338SS..  trans-65.9140.618000000111.7K185 G264 L265A183-K185 PolarHBondContact O-N 3.22Å; A183-G264 WeakPolarHBondContact CB-O 3.03Å; A183-L265 HydrophobicContact CB-CD2 3.99Å
184P98.2Very high94.3Very high9 Ų964.8 Ų64.86%0.05834%0.344CS..  trans-64.9131179.226.7-34.5000112T186 A204 F207 I212 V260 H262 L265P184-T186 HydrophobicContact CB-CG2 4.09Å; P184-T186 HydrophobicContact CG-CG2 4.27Å; P184-T186 PolarHBondContact O-N 2.98Å; P184-A204 HydrophobicContact CB-CB 3.89Å; P184-F207 HydrophobicContact CB-CB 3.84Å; P184-F207 HydrophobicContact CB-CD1 3.96Å; P184-F207 HydrophobicContact CB-CG 4.16Å; P184-I212 HydrophobicContact CB-CD1 4.08Å; P184-I212 HydrophobicContact CG-CD1 4.13Å; P184-V260 HydrophobicContact CG-CG1 3.99Å; P184-H262 HydrophobicContact CG-CB 4.14Å; P184-L265 HydrophobicContact CG-CD1 3.88Å; P184-L265 HydrophobicContact CG-CD2 4.41Å; P184-L265 HydrophobicContact CG-CG 4.21Å
185K97.9Very high93.9Very high142 Ų14272 Ų7262%0.61738%0.382SS*.EExtended strand (participates in β ladder)trans-75.7109.4164.1-64.8177.8-173.4169.30107.7A183 L205A183-K185 PolarHBondContact O-N 3.22Å; K185-L205 PolarHBondContact N-O 2.93Å; K185-L205 PolarHBondContact O-N 3.04Å
186T97.4Very high93.7Very high38 Ų3873.6 Ų73.623%0.23339%0.391CS..EExtended strand (participates in β ladder)trans-105.4144.2-175.2570000112P184 W203 A204 V260 L269 L271P184-T186 HydrophobicContact CB-CG2 4.09Å; P184-T186 HydrophobicContact CG-CG2 4.27Å; P184-T186 PolarHBondContact O-N 2.98Å; T186-W203 WeakPolarHBondContact CA-O 3.15Å; T186-W203 WeakPolarHBondContact CB-O 3.17Å; T186-A204 HydrophobicContact CG2-CB 4.4Å; T186-V260 HydrophobicContact CG2-CG1 4.31Å; T186-V260 HydrophobicContact CG2-CG2 4.14Å; T186-L269 HydrophobicContact CG2-CD1 4.42Å; T186-L271 HydrophobicContact CG2-CD1 4.06Å
187H94.9Very high93.8Very high78 Ų7869.5 Ų69.536%0.36137%0.372SS..EExtended strand (participates in β ladder)trans-155.3164170.769.3-78.4000110.3W203H187-W203 AromaticContact CD2-CD1 3.89Å; H187-W203 WeakPolarHBondContact CE1-CB 3.48Å; H187-W203 AromaticContact CE1-CD1 3.74Å; H187-W203 AromaticContact CE1-CG 3.45Å; H187-W203 VanDerWaalsContact CE1-CG 3.45Å; H187-W203 PolarHBondContact N-O 3Å; H187-W203 AromaticContact NE2-CD1 3.37Å; H187-W203 AromaticContact NE2-CG 3.57Å; H187-W203 AromaticContact NE2-NE1 3.92Å; H187-W203 PolarHBondContact O-N 3.37Å
188M95.4Very high93.9Very high36 Ų3667.3 Ų67.318%0.17736%0.358CS..EExtended strand (participates in β ladder)trans-113.3142.6174.9-79.1-167.2165.700111.3R201 C202 W216 C258 L271 W273M188-R201 WeakPolarHBondContact CA-O 3.05Å; M188-C202 HydrophobicContact CE-CB 4.5Å; M188-W216 HydrophobicContact CE-CH2 3.15Å; M188-W216 HydrophobicContact CE-CZ2 3.96Å; M188-W216 HydrophobicContact CE-CZ3 3.56Å; M188-W216 HydrophobicContact SD-CH2 4.11Å; M188-C258 HydrophobicContact CE-CB 3.43Å; M188-C258 VanDerWaalsContact CE-CB 3.43Å; M188-L271 HydrophobicContact CE-CB 3.83Å; M188-L271 VanDerWaalsContact CE-O 3.29Å; M188-L271 WeakPolarHBondContact CE-O 3.35Å; M188-L271 HydrophobicContact CG-CB 4.5Å; M188-L271 HydrophobicContact SD-CB 4.48Å; M188-W273 WeakPolarHBondContact SD-CA 3.32Å; M188-W273 HydrophobicContact SD-CB 3.81Å; M188-W273 PolarHBondContact SD-N 3.21Å
189T94.6Very high94Very high34 Ų3468.1 Ų68.121%0.20936%0.364CS..EExtended strand (participates in β ladder)trans-118.7143170.750.90000109.1R201 W203T189-R201 PolarHBondContact N-O 3.47Å; T189-R201 PolarHBondContact O-N 2.88Å; T189-R201 WeakPolarHBondContact OG1-CB 3.34Å; T189-R201 PolarHBondContact OG1-O 3.34Å; T189-W203 PolarHBondContact OG1-NE1 3.18Å
190H94.3Very high94.2Very high68 Ų6864.9 Ų64.932%0.31535%0.349SS..EExtended strand (participates in β ladder)trans-121.6127.5178165.1-77.6000108.6A198 T199 L200 W273H190-A198 WeakPolarHBondContact NE2-CB 3.23Å; H190-T199 WeakPolarHBondContact CA-O 3.44Å; H190-L200 HydrophobicContact CB-CD2 4Å; H190-W273 HydrophobicContact CB-CZ2 4.19Å; H190-W273 AromaticContact CD2-CZ2 3.99Å; H190-W273 AromaticContact CG-CE2 3.98Å; H190-W273 AromaticContact CG-CZ2 3.98Å; H190-W273 AromaticContact CG-NE1 3.96Å
191H92.7Very high94.4Very high87 Ų8763.6 Ų63.640%0.40334%0.344SS..EExtended strand (participates in β ladder)trans-126.9112.8178.4-60-76.4000109V193 A198 T199 R201H191-V193 PolarHBondContact O-N 3.06Å; H191-A198 CarbonylContact O-C 3.57Å; H191-A198 VanDerWaalsContact O-CA 3.3Å; H191-A198 WeakPolarHBondContact O-CA 3.41Å; H191-T199 PolarHBondContact N-O 3.28Å; H191-T199 PolarHBondContact O-N 3.18Å; H191-R201 PolarHBondContact CD2-NH1 3.11Å; H191-R201 VanDerWaalsContact CD2-NH1 3.31Å; H191-R201 PolarHBondContact NE2-NH1 2.93Å
192A91.1Very high94.5Very high79 Ų7960.9 Ų60.965%0.65333%0.327SS*.EExtended strand (participates in β ladder)trans-65.5127.1172.500000109.4
193V88.7Confident94.6Very high93 Ų9360.6 Ų60.656%0.56432%0.322SS*.  trans-98-40.7176.7-179.50000109.6H191 E197 T199H191-V193 PolarHBondContact O-N 3.06Å; V193-E197 PolarHBondContact N-O 2.86Å; V193-T199 WeakPolarHBondContact CG2-OG1 3.22Å
194S89.4Confident94.6Very high52 Ų5258.3 Ų58.336%0.36430%0.304SS..SBendtrans-149.4-178.2174.470.90000110.3H196 E197S194-H196 PolarHBondContact O-N 3.25Å; S194-H196 VanDerWaalsContact O-N 3.17Å; S194-H196 PolarHBondContact OG-N 2.64Å; S194-H196 VanDerWaalsContact OG-N 3.17Å; S194-E197 PolarHBondContact N-O 3.3Å; S194-E197 VanDerWaalsContact O-O 3.07Å; S194-E197 PolarHBondContact OG-N 2.69Å
195D87Confident94.6Very high153 Ų15360.2 Ų60.282%0.81831%0.313SS*.SBendtrans-66.3-9.9172.3-65-23.4000113.4
196H91.3Very high94.6Very high143 Ų14355.4 Ų55.466%0.66230%0.297SS*.SBendtrans-115.4-15.2-176.1-56.7-42.9000113.4S194 P249 S250S194-H196 PolarHBondContact O-N 3.25Å; S194-H196 VanDerWaalsContact O-N 3.17Å; S194-H196 PolarHBondContact OG-N 2.64Å; S194-H196 VanDerWaalsContact OG-N 3.17Å; H196-P249 CarbonylContact O-C 3.58Å; H196-P249 WeakPolarHBondContact O-CA 3.01Å; H196-S250 PolarHBondContact O-N 3.05Å; H196-S250 PolarHBondContact O-OG 3.13Å
197E94.1Very high94.6Very high93 Ų9353.6 Ų53.644%0.43529%0.286SS..EExtended strand (participates in β ladder)trans-143.7143.5-171.3-66.5180173.600112.3V193 S194 V247 V248 S250V193-E197 PolarHBondContact N-O 2.86Å; S194-E197 PolarHBondContact N-O 3.3Å; S194-E197 VanDerWaalsContact O-O 3.07Å; S194-E197 PolarHBondContact OG-N 2.69Å; E197-V247 HydrophobicContact CB-CG1 4.14Å; E197-V247 HydrophobicContact CG-CG1 4.35Å; E197-V248 WeakPolarHBondContact CA-O 3Å; E197-S250 PolarHBondContact N-OG 3.01Å
198A94.3Very high94.7Very high0 Ų050 Ų500%027%0.27CS..EExtended strand (participates in β ladder)trans-132.1153.2171.400000110.5H190 H191 V247 V248H190-A198 WeakPolarHBondContact NE2-CB 3.23Å; H191-A198 CarbonylContact O-C 3.57Å; H191-A198 VanDerWaalsContact O-CA 3.3Å; H191-A198 WeakPolarHBondContact O-CA 3.41Å; A198-V247 WeakPolarHBondContact O-CA 3.31Å; A198-V248 HydrophobicContact CB-CG2 4.35Å; A198-V248 PolarHBondContact N-O 3.37Å; A198-V248 WeakPolarHBondContact O-CG2 3.47Å; A198-V248 PolarHBondContact O-N 2.92Å
199T96.3Very high94.7Very high22 Ų2249.4 Ų49.414%0.13527%0.268CS..EExtended strand (participates in β ladder)trans-95.7121.1167.8-54.60000109H190 H191 V193 A245 V246H190-T199 WeakPolarHBondContact CA-O 3.44Å; H191-T199 PolarHBondContact N-O 3.28Å; H191-T199 PolarHBondContact O-N 3.18Å; V193-T199 WeakPolarHBondContact CG2-OG1 3.22Å; T199-A245 HydrophobicContact CG2-CB 3.9Å; T199-V246 WeakPolarHBondContact CA-O 3.38Å
200L96.9Very high94.8Very high0 Ų048.5 Ų48.50%026%0.264CS..EExtended strand (participates in β ladder)trans-93.5128.4164.8-63.5-177.7000108.8H190 W216 A245 V246 V248 E253 W273H190-L200 HydrophobicContact CB-CD2 4Å; L200-W216 HydrophobicContact CB-CH2 3.56Å; L200-W216 HydrophobicContact CB-CZ2 3.91Å; L200-W216 HydrophobicContact CB-CZ3 4.42Å; L200-W216 HydrophobicContact CD1-CH2 4.06Å; L200-W216 HydrophobicContact CD1-CZ3 4.25Å; L200-W216 HydrophobicContact CG-CH2 4.48Å; L200-A245 CarbonylContact O-C 3.52Å; L200-A245 WeakPolarHBondContact O-CA 3.32Å; L200-V246 HydrophobicContact CB-CG1 4.32Å; L200-V246 PolarHBondContact N-O 3.45Å; L200-V246 PolarHBondContact O-N 3.09Å; L200-V248 HydrophobicContact CD1-CG1 3.98Å; L200-V248 HydrophobicContact CD1-CG2 4.02Å; L200-V248 HydrophobicContact CG-CG1 4.17Å; L200-V248 HydrophobicContact CG-CG2 3.82Å; L200-E253 HydrophobicContact CD1-CB 4.05Å; L200-E253 HydrophobicContact CD1-CG 4.42Å; L200-E253 HydrophobicContact CD2-CG 4.27Å; L200-W273 HydrophobicContact CD1-CB 4.23Å; L200-W273 HydrophobicContact CD2-CB 3.95Å; L200-W273 HydrophobicContact CD2-CD2 4.34Å; L200-W273 HydrophobicContact CD2-CG 3.8Å
201R97.4Very high94.9Very high51 Ų5152.3 Ų52.319%0.19228%0.282CS..EExtended strand (participates in β ladder)trans-123.8122.5175.7179.9-175.1-58.4111.7-0.3110.4M188 T189 H191 W203 W243 A244 A245M188-R201 WeakPolarHBondContact CA-O 3.05Å; T189-R201 PolarHBondContact N-O 3.47Å; T189-R201 PolarHBondContact O-N 2.88Å; T189-R201 WeakPolarHBondContact OG1-CB 3.34Å; T189-R201 PolarHBondContact OG1-O 3.34Å; H191-R201 PolarHBondContact CD2-NH1 3.11Å; H191-R201 VanDerWaalsContact CD2-NH1 3.31Å; H191-R201 PolarHBondContact NE2-NH1 2.93Å; R201-W203 HydrophobicContact CG-CZ2 4.4Å; R201-W243 HydrophobicContact CG-CB 4.03Å; R201-W243 HydrophobicContact CG-CD2 4.15Å; R201-W243 HydrophobicContact CG-CE3 3.87Å; R201-W243 HydrophobicContact CG-CG 4.26Å; R201-A244 WeakPolarHBondContact CA-O 3.4Å; R201-A245 HydrophobicContact CB-CB 3.92Å; R201-A245 HydrophobicContact CG-CB 4.08Å
202C97.8Very high95.2Very high0 Ų048.7 Ų48.70%027%0.265CS..EExtended strand (participates in β ladder)trans-94.5122.3176.6-177.20000109.4M188 W216 W243 A244 C258M188-C202 HydrophobicContact CE-CB 4.5Å; C202-W216 HydrophobicContact CB-CZ2 3.72Å; C202-W243 CarbonylContact O-C 3.53Å; C202-W243 WeakPolarHBondContact O-CA 3.34Å; C202-W243 VanDerWaalsContact O-CB 3.23Å; C202-W243 WeakPolarHBondContact O-CB 3.27Å; C202-A244 PolarHBondContact N-O 2.78Å; C202-A244 PolarHBondContact O-N 3.3Å; C202-C258 HydrophobicContact CB-CB 3.49Å; C202-C258 VanDerWaalsContact CB-CB 3.49Å; C202-C258 WeakPolarHBondContact CB-SG 3.29Å; C202-C258 WeakPolarHBondContact SG-CB 3.44Å; C202-C258 CovalentContact SG-SG 2.03Å; C202-C258 PolarHBondContact SG-SG 2.87Å
203W98.2Very high95.5Very high47 Ų4747.6 Ų47.618%0.17825%0.251CS..EExtended strand (participates in β ladder)trans-106.8140.8-179.1-68.388.9000110.6T186 H187 T189 R201 L205 W243T186-W203 WeakPolarHBondContact CA-O 3.15Å; T186-W203 WeakPolarHBondContact CB-O 3.17Å; H187-W203 AromaticContact CD2-CD1 3.89Å; H187-W203 WeakPolarHBondContact CE1-CB 3.48Å; H187-W203 AromaticContact CE1-CD1 3.74Å; H187-W203 AromaticContact CE1-CG 3.45Å; H187-W203 VanDerWaalsContact CE1-CG 3.45Å; H187-W203 PolarHBondContact N-O 3Å; H187-W203 AromaticContact NE2-CD1 3.37Å; H187-W203 AromaticContact NE2-CG 3.57Å; H187-W203 AromaticContact NE2-NE1 3.92Å; H187-W203 PolarHBondContact O-N 3.37Å; T189-W203 PolarHBondContact OG1-NE1 3.18Å; R201-W203 HydrophobicContact CG-CZ2 4.4Å; W203-L205 HydrophobicContact CE3-CD2 3.98Å; W203-W243 HydrophobicContact CD2-CB 3.91Å; W203-W243 HydrophobicContact CD2-CG 4.42Å; W203-W243 HydrophobicContact CE3-CB 3.81Å; W203-W243 AromaticContact CE3-CD1 3.82Å; W203-W243 HydrophobicContact CE3-CG 4.11Å; W203-W243 HydrophobicContact CG-CB 4.34Å; W203-W243 AromaticContact CH2-CD1 3.66Å; W203-W243 HydrophobicContact CH2-CG 4.24Å; W203-W243 HydrophobicContact CZ3-CB 4.24Å; W203-W243 AromaticContact CZ3-CD1 3.36Å; W203-W243 HydrophobicContact CZ3-CG 4.02Å
204A98.4Very high95.9Very high0 Ų043.5 Ų43.50%023%0.225CC..EExtended strand (participates in β ladder)trans-123.4121.9163.400000107.8P184 T186 F207 I212 L214 Q241 K242P184-A204 HydrophobicContact CB-CB 3.89Å; T186-A204 HydrophobicContact CG2-CB 4.4Å; A204-F207 HydrophobicContact CB-CD1 4.1Å; A204-F207 HydrophobicContact CB-CE1 3.88Å; A204-F207 WeakPolarHBondContact O-CE1 3.41Å; A204-I212 HydrophobicContact CB-CD1 3.67Å; A204-L214 HydrophobicContact CB-CD1 4.11Å; A204-L214 HydrophobicContact CB-CD2 4.25Å; A204-Q241 CarbonylContact O-C 3.54Å; A204-Q241 VanDerWaalsContact O-CA 3.29Å; A204-Q241 WeakPolarHBondContact O-CA 3.47Å; A204-K242 PolarHBondContact N-O 2.98Å; A204-K242 PolarHBondContact O-N 3.34Å; A204-K242 VanDerWaalsContact O-O 3.08Å
205L98.2Very high96.3Very high48 Ų4843 Ų4325%0.25122%0.22SC..EExtended strand (participates in β ladder)trans-128.3155.5-175.5-58.9179.1000111.1K185 W203 F207 Q241K185-L205 PolarHBondContact N-O 2.93Å; K185-L205 PolarHBondContact O-N 3.04Å; W203-L205 HydrophobicContact CE3-CD2 3.98Å; L205-F207 VanDerWaalsContact C-N 3.32Å; L205-F207 PolarHBondContact O-N 2.81Å; L205-Q241 HydrophobicContact CD2-CB 3.56Å
206S97.6Very high96.8Very high42 Ų4235.8 Ų35.829%0.29418%0.182SC..EExtended strand (participates in β ladder)trans54.443.2171.2-55.30000113.8F240S206-F240 PolarHBondContact N-O 3.2Å
207F97.8Very high97.1Very high0 Ų031 Ų310%016%0.16CC..EExtended strand (participates in β ladder)trans-109.2158.5176.760.6-89.7000112.5D182 P184 A204 L205 P209 I212 T232 T239 F240 K242 H262D182-F207 VanDerWaalsContact O-CA 3.31Å; D182-F207 WeakPolarHBondContact O-CA 3.11Å; D182-F207 WeakPolarHBondContact O-CB 3.47Å; P184-F207 HydrophobicContact CB-CB 3.84Å; P184-F207 HydrophobicContact CB-CD1 3.96Å; P184-F207 HydrophobicContact CB-CG 4.16Å; A204-F207 HydrophobicContact CB-CD1 4.1Å; A204-F207 HydrophobicContact CB-CE1 3.88Å; A204-F207 WeakPolarHBondContact O-CE1 3.41Å; L205-F207 VanDerWaalsContact C-N 3.32Å; L205-F207 PolarHBondContact O-N 2.81Å; F207-P209 VanDerWaalsContact CD2-O 3.27Å; F207-P209 WeakPolarHBondContact CD2-O 3.31Å; F207-I212 HydrophobicContact CD1-CD1 3.92Å; F207-I212 HydrophobicContact CD2-CB 4.32Å; F207-I212 HydrophobicContact CD2-CD1 3.98Å; F207-I212 HydrophobicContact CE1-CD1 3.79Å; F207-I212 HydrophobicContact CE1-CG2 4.44Å; F207-I212 HydrophobicContact CE2-CB 3.74Å; F207-I212 HydrophobicContact CE2-CD1 3.88Å; F207-I212 HydrophobicContact CE2-CG1 4.39Å; F207-I212 HydrophobicContact CE2-CG2 3.58Å; F207-I212 HydrophobicContact CG-CD1 4.02Å; F207-I212 HydrophobicContact CZ-CB 4.1Å; F207-I212 HydrophobicContact CZ-CD1 3.81Å; F207-I212 HydrophobicContact CZ-CG2 3.52Å; F207-T232 HydrophobicContact CE2-CG2 4.12Å; F207-T232 HydrophobicContact CZ-CG2 3.89Å; F207-T239 CarbonylContact O-C 3.58Å; F207-T239 WeakPolarHBondContact O-CA 3.38Å; F207-T239 WeakPolarHBondContact O-CB 3.23Å; F207-F240 VanDerWaalsContact CD1-O 3.29Å; F207-F240 WeakPolarHBondContact CD1-O 3.33Å; F207-F240 HydrophobicContact CD2-CB 3.94Å; F207-F240 HydrophobicContact CE1-CB 4.21Å; F207-F240 WeakPolarHBondContact CE1-O 3.44Å; F207-F240 HydrophobicContact CE2-CB 3.47Å; F207-F240 VanDerWaalsContact CE2-CB 3.47Å; F207-F240 HydrophobicContact CE2-CG 4.45Å; F207-F240 HydrophobicContact CG-CB 4.46Å; F207-F240 HydrophobicContact CZ-CB 3.61Å; F207-F240 PolarHBondContact N-O 3.45Å; F207-F240 PolarHBondContact O-N 2.89Å; F207-K242 HydrophobicContact CE1-CB 4.38Å; F207-K242 HydrophobicContact CZ-CB 4.15Å; F207-H262 AromaticContact CD2-CD2 3.8Å; F207-H262 AromaticContact CD2-NE2 3.6Å
208Y96.8Very high97.2Very high3 Ų330.5 Ų30.51%0.01215%0.154CC..BIsolated β-bridgetrans-152.1136173.7-179.3-85.4000108.9T30 R180 T181 D182 G238 F240 H262T30-Y208 PolarHBondContact OG1-OH 2.88Å; R180-Y208 HydrophobicContact CG-CD1 3.83Å; R180-Y208 HydrophobicContact CG-CE1 4.27Å; R180-Y208 WeakPolarHBondContact O-CD1 3.34Å; T181-Y208 WeakPolarHBondContact CA-O 3.3Å; T181-Y208 WeakPolarHBondContact CG2-O 3.48Å; D182-Y208 PolarHBondContact N-O 3.08Å; D182-Y208 PolarHBondContact O-N 2.98Å; Y208-G238 WeakPolarHBondContact CD2-O 3.35Å; Y208-F240 HydrophobicContact CD2-CD2 4.36Å; Y208-F240 AromaticContact CD2-CE2 3.9Å; Y208-F240 HydrophobicContact CD2-CE2 3.9Å; Y208-F240 HydrophobicContact CE2-CE2 4.3Å; Y208-H262 PolarHBondContact O-CE1 2.82Å
209P95.8Very high97.2Very high23 Ų2335.3 Ų35.315%0.14918%0.179CC..SBendcis-75.2-175.44.732.4-37.5000114.2F207 E211 H262F207-P209 VanDerWaalsContact CD2-O 3.27Å; F207-P209 WeakPolarHBondContact CD2-O 3.31Å; P209-E211 VanDerWaalsContact C-N 3.3Å; P209-E211 PolarHBondContact O-N 3.09Å; P209-H262 PolarHBondContact O-NE2 3.45Å
210A96.9Very high97Very high14 Ų1436.6 Ų36.612%0.11620%0.197CC..SBendtrans-71.5-24-177.100000113.7D29 I212 T232 F240D29-A210 HydrophobicContact CB-CB 4.14Å; D29-A210 VanDerWaalsContact CG-CB 3.48Å; D29-A210 VanDerWaalsContact OD2-CB 3.31Å; D29-A210 WeakPolarHBondContact OD2-CB 3.4Å; D29-A210 PolarHBondContact OD2-N 2.89Å; A210-I212 PolarHBondContact O-N 3.34Å; A210-T232 HydrophobicContact CB-CG2 4.26Å; A210-T232 WeakPolarHBondContact O-CG2 3.31Å; A210-F240 HydrophobicContact CB-CD1 3.72Å; A210-F240 HydrophobicContact CB-CD2 3.77Å; A210-F240 HydrophobicContact CB-CE1 3.69Å; A210-F240 HydrophobicContact CB-CE2 3.74Å; A210-F240 HydrophobicContact CB-CG 3.79Å; A210-F240 HydrophobicContact CB-CZ 3.73Å
211E96.8Very high96.9Very high148 Ų14842.7 Ų42.769%0.69223%0.225SC*.  trans-66.7114.2-178.5-171.561-153.400110.6P209 H262P209-E211 VanDerWaalsContact C-N 3.3Å; P209-E211 PolarHBondContact O-N 3.09Å; E211-H262 PolarHBondContact O-CD2 2.83Å; E211-H262 VanDerWaalsContact O-CD2 3.27Å
212I97.8Very high96.8Very high11 Ų1145 Ų456%0.05624%0.242CC..  trans-151.2143.1-178.4-163.9171.1000109.5P184 A204 F207 A210 L214 K242 V260 Q261 H262P184-I212 HydrophobicContact CB-CD1 4.08Å; P184-I212 HydrophobicContact CG-CD1 4.13Å; A204-I212 HydrophobicContact CB-CD1 3.67Å; F207-I212 HydrophobicContact CD1-CD1 3.92Å; F207-I212 HydrophobicContact CD2-CB 4.32Å; F207-I212 HydrophobicContact CD2-CD1 3.98Å; F207-I212 HydrophobicContact CE1-CD1 3.79Å; F207-I212 HydrophobicContact CE1-CG2 4.44Å; F207-I212 HydrophobicContact CE2-CB 3.74Å; F207-I212 HydrophobicContact CE2-CD1 3.88Å; F207-I212 HydrophobicContact CE2-CG1 4.39Å; F207-I212 HydrophobicContact CE2-CG2 3.58Å; F207-I212 HydrophobicContact CG-CD1 4.02Å; F207-I212 HydrophobicContact CZ-CB 4.1Å; F207-I212 HydrophobicContact CZ-CD1 3.81Å; F207-I212 HydrophobicContact CZ-CG2 3.52Å; A210-I212 PolarHBondContact O-N 3.34Å; I212-L214 HydrophobicContact CD1-CD1 3.72Å; I212-L214 HydrophobicContact CG1-CD1 3.66Å; I212-L214 HydrophobicContact CG2-CD1 4.18Å; I212-K242 HydrophobicContact CG2-CB 4.2Å; I212-K242 HydrophobicContact CG2-CD 3.53Å; I212-V260 HydrophobicContact CD1-CG1 4Å; I212-V260 HydrophobicContact CG1-CG1 4.31Å; I212-Q261 WeakPolarHBondContact CG1-O 3.28Å; I212-H262 HydrophobicContact CD1-CB 4.31Å; I212-H262 HydrophobicContact CG1-CB 4.06Å
213T97.8Very high96.6Very high57 Ų5745.7 Ų45.735%0.3525%0.245SC..EExtended strand (participates in β ladder)trans-115.9122.4175.8-58.80000109.9T215 V260 Q261T213-T215 HydrophobicContact CG2-CG2 4.02Å; T213-V260 WeakPolarHBondContact O-CA 3.29Å; T213-Q261 PolarHBondContact N-O 3.43Å; T213-Q261 PolarHBondContact O-N 3.17Å
214L97.8Very high96.1Very high6 Ų648.5 Ų48.53%0.03127%0.268CS..EExtended strand (participates in β ladder)trans-116.7121.5172.5-86.161.2000108.4A204 I212 L229 K242 A244 H259 V260A204-L214 HydrophobicContact CB-CD1 4.11Å; A204-L214 HydrophobicContact CB-CD2 4.25Å; I212-L214 HydrophobicContact CD1-CD1 3.72Å; I212-L214 HydrophobicContact CG1-CD1 3.66Å; I212-L214 HydrophobicContact CG2-CD1 4.18Å; L214-L229 HydrophobicContact CB-CD1 4.12Å; L214-K242 HydrophobicContact CD1-CD 4.24Å; L214-K242 HydrophobicContact CD2-CB 4.36Å; L214-K242 HydrophobicContact CD2-CG 4.38Å; L214-A244 HydrophobicContact CB-CB 4.02Å; L214-A244 HydrophobicContact CD2-CB 4.26Å; L214-H259 WeakPolarHBondContact CA-O 3.31Å; L214-V260 HydrophobicContact CD1-CG1 4.04Å; L214-V260 HydrophobicContact CD1-CG2 4.5Å; L214-V260 HydrophobicContact CG-CG2 4.3Å
215T97.1Very high95.5Very high41 Ų4157.6 Ų57.625%0.25231%0.31SS..EExtended strand (participates in β ladder)trans-130.2150.4175.458.90000111.4T213 C258 H259T213-T215 HydrophobicContact CG2-CG2 4.02Å; T215-C258 CarbonylContact O-C 3.53Å; T215-C258 WeakPolarHBondContact O-CA 3.23Å; T215-H259 PolarHBondContact N-O 3.5Å; T215-H259 PolarHBondContact O-N 2.92Å
216W97.7Very high94.9Very high3 Ų360.7 Ų60.71%0.01133%0.327CS..EExtended strand (participates in β ladder)trans-105.4137.7170.9-81.8101.9000110.2M188 L200 C202 Q223 A244 V246 T257 C258M188-W216 HydrophobicContact CE-CH2 3.15Å; M188-W216 HydrophobicContact CE-CZ2 3.96Å; M188-W216 HydrophobicContact CE-CZ3 3.56Å; M188-W216 HydrophobicContact SD-CH2 4.11Å; L200-W216 HydrophobicContact CB-CH2 3.56Å; L200-W216 HydrophobicContact CB-CZ2 3.91Å; L200-W216 HydrophobicContact CB-CZ3 4.42Å; L200-W216 HydrophobicContact CD1-CH2 4.06Å; L200-W216 HydrophobicContact CD1-CZ3 4.25Å; L200-W216 HydrophobicContact CG-CH2 4.48Å; C202-W216 HydrophobicContact CB-CZ2 3.72Å; W216-Q223 HydrophobicContact CB-CB 4.19Å; W216-Q223 PolarHBondContact O-N 3.43Å; W216-A244 VanDerWaalsContact NE1-C 3.34Å; W216-A244 PolarHBondContact NE1-O 3.1Å; W216-V246 HydrophobicContact CD2-CB 4.31Å; W216-V246 HydrophobicContact CD2-CG1 3.56Å; W216-V246 HydrophobicContact CE3-CG1 3.81Å; W216-V246 HydrophobicContact CG-CB 4.18Å; W216-V246 HydrophobicContact CG-CG1 3.93Å; W216-V246 HydrophobicContact CH2-CG1 4.25Å; W216-V246 HydrophobicContact CZ2-CG1 4.06Å; W216-V246 HydrophobicContact CZ3-CG1 4.15Å; W216-T257 WeakPolarHBondContact CA-O 2.99Å; W216-T257 VanDerWaalsContact CE3-C 3.49Å; W216-C258 HydrophobicContact CD2-CB 4.21Å; W216-C258 HydrophobicContact CE3-CB 4.19Å; W216-C258 HydrophobicContact CH2-CB 4.17Å; W216-C258 HydrophobicContact CZ2-CB 4.16Å; W216-C258 HydrophobicContact CZ3-CB 4.17Å
217Q97.4Very high94.7Very high43 Ų4359.8 Ų59.820%0.20132%0.32CS..EExtended strand (participates in β ladder)trans-123.7147.5171.3-68.5-172.8-11.200110.4E221 D222 Y256 T257 H259Q217-E221 CarbonylContact C-O 3.53Å; Q217-E221 VanDerWaalsContact CA-O 3.24Å; Q217-E221 WeakPolarHBondContact CA-O 3.36Å; Q217-D222 VanDerWaalsContact CG-OD1 3.27Å; Q217-D222 WeakPolarHBondContact CG-OD1 3.33Å; Q217-D222 PolarHBondContact NE2-OD1 3.16Å; Q217-Y256 CarbonylContact O-C 3.51Å; Q217-Y256 VanDerWaalsContact O-CA 3.27Å; Q217-Y256 WeakPolarHBondContact O-CA 3.34Å; Q217-T257 PolarHBondContact N-O 3.34Å; Q217-T257 PolarHBondContact O-N 2.97Å; Q217-H259 PolarHBondContact OE1-NE2 2.73Å
218R96.5Very high94.6Very high81 Ų8165.2 Ų65.231%0.30635%0.345SS..EExtended strand (participates in β ladder)trans-119.3115.6169.2-177.8-179.769.8-161.4-3.2108.5G220 E221 Q223 R255 Y256R218-G220 PolarHBondContact O-N 2.74Å; R218-E221 PolarHBondContact N-O 3.23Å; R218-E221 PolarHBondContact O-N 2.91Å; R218-Q223 HydrophobicContact CB-CG 3.94Å; R218-R255 WeakPolarHBondContact CA-O 3.39Å; R218-R255 HydrophobicContact CG-CB 4.36Å; R218-Y256 HydrophobicContact CB-CD1 4.05Å; R218-Y256 HydrophobicContact CB-CE1 3.88Å; R218-Y256 VanDerWaalsContact CD-CZ 3.49Å; R218-Y256 WeakPolarHBondContact CD-OH 3.2Å; R218-Y256 HydrophobicContact CG-CD1 4.42Å; R218-Y256 HydrophobicContact CG-CE1 4.06Å; R218-Y256 HydrophobicContact CG-CE2 4.21Å
219D94.4Very high94.6Very high101 Ų10169.3 Ų69.354%0.5437%0.367SS..THydrogen-bonded Turntrans49.830.5-174.5-52.3-51.1000114.1R255D219-R255 PolarHBondContact N-O 2.88Å; D219-R255 IonicContact OD1-NE 3.44Å; D219-R255 PolarHBondContact OD1-NE 2.9Å; D219-R255 IonicContact OD2-CZ 3.07Å; D219-R255 IonicContact OD2-NE 3.51Å; D219-R255 PolarHBondContact OD2-NE 2.82Å; D219-R255 IonicContact OD2-NH2 2.61Å; D219-R255 PolarHBondContact OD2-NH2 2.83Å
220G91.4Very high94.6Very high49 Ų4969.8 Ų69.851%0.50537%0.369SS..THydrogen-bonded Turntrans91.6-3.1-177.700000115.5R218R218-G220 PolarHBondContact O-N 2.74Å
221E95.1Very high94.6Very high128 Ų12877.4 Ų77.460%0.59840%0.402SS*.EExtended strand (participates in β ladder)trans-94.9128.2175.5-63.5-175.4165.300111.8Q217 R218 Q223Q217-E221 CarbonylContact C-O 3.53Å; Q217-E221 VanDerWaalsContact CA-O 3.24Å; Q217-E221 WeakPolarHBondContact CA-O 3.36Å; R218-E221 PolarHBondContact N-O 3.23Å; R218-E221 PolarHBondContact O-N 2.91Å; E221-Q223 PolarHBondContact O-NE2 2.75Å
222D95.1Very high94.6Very high101 Ų10172.5 Ų72.554%0.5438%0.383SS..EExtended strand (participates in β ladder)trans-62.1137.1-179.9-69.2-27.1000112.7Q217Q217-D222 VanDerWaalsContact CG-OD1 3.27Å; Q217-D222 WeakPolarHBondContact CG-OD1 3.33Å; Q217-D222 PolarHBondContact NE2-OD1 3.16Å
223Q94.4Very high94.6Very high13 Ų1376.5 Ų76.56%0.06140%0.397CS..  trans-110.336.7-177.4-57.8-60-73.200112.5W216 R218 E221 Q225 D226 T227 Y256W216-Q223 HydrophobicContact CB-CB 4.19Å; W216-Q223 PolarHBondContact O-N 3.43Å; R218-Q223 HydrophobicContact CB-CG 3.94Å; E221-Q223 PolarHBondContact O-NE2 2.75Å; Q223-Q225 VanDerWaalsContact C-N 3.32Å; Q223-Q225 PolarHBondContact O-N 3.36Å; Q223-D226 PolarHBondContact O-N 3.39Å; Q223-T227 WeakPolarHBondContact O-CB 3.43Å; Q223-T227 PolarHBondContact O-N 2.8Å; Q223-T227 VanDerWaalsContact O-N 3.15Å; Q223-T227 PolarHBondContact O-OG1 3.47Å; Q223-Y256 HydrophobicContact CG-CE1 4.38Å
224T87Confident94.5Very high107 Ų10778.2 Ų78.266%0.65641%0.409SS*.THydrogen-bonded Turntrans-58.8-36.5-169.6-46.50000114.2
225Q86.8Confident94.4Very high191 Ų19180.2 Ų80.289%0.89343%0.427SS*.THydrogen-bonded Turntrans-75-31.4-178.3-66.5-174.38.600113.1Q223 T227Q223-Q225 VanDerWaalsContact C-N 3.32Å; Q223-Q225 PolarHBondContact O-N 3.36Å; Q225-T227 VanDerWaalsContact C-N 3.33Å
226D85.2Confident94.3Very high112 Ų11282 Ų8260%0.59945%0.452SS*.THydrogen-bonded Turntrans-93.52.4-178.1-57.2-47.3000112.3Q223Q223-D226 PolarHBondContact O-N 3.39Å
227T93.1Very high94Very high24 Ų2486.8 Ų86.815%0.14748%0.478CS..EExtended strand (participates in β ladder)trans-96121.2-179.2-64.30000110.8Q223 Q225 L229 A244 A245Q223-T227 WeakPolarHBondContact O-CB 3.43Å; Q223-T227 PolarHBondContact O-N 2.8Å; Q223-T227 VanDerWaalsContact O-N 3.15Å; Q223-T227 PolarHBondContact O-OG1 3.47Å; Q225-T227 VanDerWaalsContact C-N 3.33Å; T227-L229 HydrophobicContact CG2-CB 4.32Å; T227-L229 PolarHBondContact O-N 3.49Å; T227-A244 HydrophobicContact CG2-CB 3.99Å; T227-A245 CarbonylContact C-O 3.5Å; T227-A245 VanDerWaalsContact CA-O 3.31Å; T227-A245 WeakPolarHBondContact CA-O 3.41Å
228E95.8Very high93.7Very high113 Ų11386.7 Ų86.753%0.52849%0.489SS..EExtended strand (participates in β ladder)trans-77.9105.1163.3-173-174.8-17100108.9W243 A244 A245E228-W243 HydrophobicContact CB-CZ3 4.21Å; E228-W243 HydrophobicContact CG-CH2 3.85Å; E228-W243 HydrophobicContact CG-CZ3 3.8Å; E228-W243 WeakPolarHBondContact O-CZ3 3.41Å; E228-W243 WeakPolarHBondContact OE1-CH2 3.37Å; E228-A244 CarbonylContact O-C 3.57Å; E228-A244 WeakPolarHBondContact O-CA 3.45Å; E228-A245 HydrophobicContact CB-CB 4.36Å; E228-A245 PolarHBondContact N-O 3.07Å; E228-A245 PolarHBondContact O-N 3.36Å
229L96.1Very high93.7Very high89 Ų8983.5 Ų83.547%0.46648%0.479SS..EExtended strand (participates in β ladder)trans-110.8121.3178.6-17568.3000110L214 T227 A244L214-L229 HydrophobicContact CB-CD1 4.12Å; T227-L229 HydrophobicContact CG2-CB 4.32Å; T227-L229 PolarHBondContact O-N 3.49Å; L229-A244 HydrophobicContact CD1-CB 3.65Å
230V96.3Very high93.9Very high34 Ų3479.8 Ų79.821%0.20646%0.458CS..PPolyproline II helixtrans-86152.9173.9-65.30000112.2K242 W243V230-K242 HydrophobicContact CG2-CG 4.42Å; V230-K242 VanDerWaalsContact O-CE 3.3Å; V230-K242 WeakPolarHBondContact O-CE 3.43Å; V230-K242 WeakPolarHBondContact O-CG 3.4Å; V230-K242 PolarHBondContact O-NZ 2.87Å; V230-W243 HydrophobicContact CB-CD2 4.5Å; V230-W243 HydrophobicContact CB-CZ2 4.37Å; V230-W243 HydrophobicContact CG1-CD2 3.99Å; V230-W243 HydrophobicContact CG1-CE3 4.32Å; V230-W243 HydrophobicContact CG1-CH2 3.58Å; V230-W243 HydrophobicContact CG1-CZ2 3.16Å; V230-W243 HydrophobicContact CG1-CZ3 4.13Å; V230-W243 HydrophobicContact CG2-CD2 3.73Å; V230-W243 HydrophobicContact CG2-CE3 4.47Å; V230-W243 HydrophobicContact CG2-CG 3.72Å; V230-W243 HydrophobicContact CG2-CZ2 4.36Å; V230-W243 WeakPolarHBondContact CG2-O 3.47Å; V230-W243 PolarHBondContact N-O 3.15Å
231E96.4Very high94.2Very high174 Ų17479.5 Ų79.581%0.81344%0.443SS*.PPolyproline II helixtrans-57.8149.9167.1-67.2-173.816800111.2R233E231-R233 PolarHBondContact O-N 3.19Å
232T97.7Very high94.4Very high45 Ų4574.4 Ų74.428%0.27642%0.419SS..PPolyproline II helixtrans-68130.2174.7-56.60000108.5F207 A210 F240 K242F207-T232 HydrophobicContact CE2-CG2 4.12Å; F207-T232 HydrophobicContact CZ-CG2 3.89Å; A210-T232 HydrophobicContact CB-CG2 4.26Å; A210-T232 WeakPolarHBondContact O-CG2 3.31Å; T232-F240 HydrophobicContact CG2-CB 3.78Å; T232-F240 HydrophobicContact CG2-CD1 3.93Å; T232-F240 HydrophobicContact CG2-CG 4.12Å; T232-K242 WeakPolarHBondContact OG1-CD 3.33Å; T232-K242 PolarHBondContact OG1-NZ 3.04Å
233R96.9Very high94.5Very high94 Ų9470.9 Ų70.936%0.35540%0.398SS..EExtended strand (participates in β ladder)trans-124.9144.7-175.269-166.7-179.5-1744.6111.3E231 F240 Q241E231-R233 PolarHBondContact O-N 3.19Å; R233-F240 WeakPolarHBondContact O-CA 3.18Å; R233-Q241 HydrophobicContact CG-CG 3.56Å; R233-Q241 PolarHBondContact N-O 2.91Å; R233-Q241 VanDerWaalsContact NE-OE1 3.15Å; R233-Q241 WeakPolarHBondContact O-CG 3.5Å; R233-Q241 PolarHBondContact O-N 3.3Å
234P96.9Very high94.7Very high94 Ų9470.2 Ų70.261%0.6140%0.395SS*.EExtended strand (participates in β ladder)trans-67.7145.4176.828.3-34.4000111F240P234-F240 HydrophobicContact CB-CE1 4.32Å
235A96.1Very high95.2Very high48 Ų4865.2 Ų65.240%0.39737%0.365SS..  trans-88.9-16.217300000113D237 T239 Q241A235-D237 WeakPolarHBondContact CB-OD1 3.44Å; A235-T239 WeakPolarHBondContact CB-O 3.45Å; A235-T239 PolarHBondContact N-O 2.98Å; A235-Q241 HydrophobicContact CB-CG 4.47Å
236G93.2Very high95.7Very high77 Ų7756.3 Ų56.379%0.79432%0.323SS*.SBendtrans95.9-7.4178.900000114.8
237D92.4Very high96.2Very high104 Ų10454.5 Ų54.556%0.55632%0.316SS*.SBendtrans-106.514.8177.362.4-2.1000112.9A235 T239A235-D237 WeakPolarHBondContact CB-OD1 3.44Å; D237-T239 VanDerWaalsContact C-N 3.35Å; D237-T239 WeakPolarHBondContact OD1-CB 3.21Å; D237-T239 PolarHBondContact OD1-N 3.03Å; D237-T239 PolarHBondContact OD1-OG1 3.17Å
238G91.6Very high96.3Very high41 Ų4153.4 Ų53.442%0.42331%0.31SS..SBendtrans83.36.6-173.600000114.5Y208Y208-G238 WeakPolarHBondContact CD2-O 3.35Å
239T96.6Very high96.3Very high14 Ų1450.3 Ų50.39%0.08630%0.299CS..  trans-110.1172.8171.473.60000112.2F207 A235 D237F207-T239 CarbonylContact O-C 3.58Å; F207-T239 WeakPolarHBondContact O-CA 3.38Å; F207-T239 WeakPolarHBondContact O-CB 3.23Å; A235-T239 WeakPolarHBondContact CB-O 3.45Å; A235-T239 PolarHBondContact N-O 2.98Å; D237-T239 VanDerWaalsContact C-N 3.35Å; D237-T239 WeakPolarHBondContact OD1-CB 3.21Å; D237-T239 PolarHBondContact OD1-N 3.03Å; D237-T239 PolarHBondContact OD1-OG1 3.17Å
240F98Very high96Very high24 Ų2448.8 Ų48.811%0.10530%0.296CS..EExtended strand (participates in β ladder)trans-120.2163.2-177.7-63.2-84.4000112.4D29 S206 F207 Y208 A210 T232 R233 P234D29-F240 HydrophobicContact CB-CE2 3.82Å; D29-F240 HydrophobicContact CB-CZ 3.52Å; S206-F240 PolarHBondContact N-O 3.2Å; F207-F240 VanDerWaalsContact CD1-O 3.29Å; F207-F240 WeakPolarHBondContact CD1-O 3.33Å; F207-F240 HydrophobicContact CD2-CB 3.94Å; F207-F240 HydrophobicContact CE1-CB 4.21Å; F207-F240 WeakPolarHBondContact CE1-O 3.44Å; F207-F240 HydrophobicContact CE2-CB 3.47Å; F207-F240 VanDerWaalsContact CE2-CB 3.47Å; F207-F240 HydrophobicContact CE2-CG 4.45Å; F207-F240 HydrophobicContact CG-CB 4.46Å; F207-F240 HydrophobicContact CZ-CB 3.61Å; F207-F240 PolarHBondContact N-O 3.45Å; F207-F240 PolarHBondContact O-N 2.89Å; Y208-F240 HydrophobicContact CD2-CD2 4.36Å; Y208-F240 AromaticContact CD2-CE2 3.9Å; Y208-F240 HydrophobicContact CD2-CE2 3.9Å; Y208-F240 HydrophobicContact CE2-CE2 4.3Å; A210-F240 HydrophobicContact CB-CD1 3.72Å; A210-F240 HydrophobicContact CB-CD2 3.77Å; A210-F240 HydrophobicContact CB-CE1 3.69Å; A210-F240 HydrophobicContact CB-CE2 3.74Å; A210-F240 HydrophobicContact CB-CG 3.79Å; A210-F240 HydrophobicContact CB-CZ 3.73Å; T232-F240 HydrophobicContact CG2-CB 3.78Å; T232-F240 HydrophobicContact CG2-CD1 3.93Å; T232-F240 HydrophobicContact CG2-CG 4.12Å; R233-F240 WeakPolarHBondContact O-CA 3.18Å; P234-F240 HydrophobicContact CB-CE1 4.32Å
241Q98.2Very high95.6Very high43 Ų4350.3 Ų50.320%0.20132%0.319CS..EExtended strand (participates in β ladder)trans-142.1146.8174.441.3166-20.500110A204 L205 R233 A235A204-Q241 CarbonylContact O-C 3.54Å; A204-Q241 VanDerWaalsContact O-CA 3.29Å; A204-Q241 WeakPolarHBondContact O-CA 3.47Å; L205-Q241 HydrophobicContact CD2-CB 3.56Å; R233-Q241 HydrophobicContact CG-CG 3.56Å; R233-Q241 PolarHBondContact N-O 2.91Å; R233-Q241 VanDerWaalsContact NE-OE1 3.15Å; R233-Q241 WeakPolarHBondContact O-CG 3.5Å; R233-Q241 PolarHBondContact O-N 3.3Å; A235-Q241 HydrophobicContact CB-CG 4.47Å
242K98.4Very high95.5Very high21 Ų2145.1 Ų45.19%0.09129%0.294CS..EExtended strand (participates in β ladder)trans-151.4154.5177-162.3-176.8-172.470.40108.9A204 F207 I212 L214 V230 T232A204-K242 PolarHBondContact N-O 2.98Å; A204-K242 PolarHBondContact O-N 3.34Å; A204-K242 VanDerWaalsContact O-O 3.08Å; F207-K242 HydrophobicContact CE1-CB 4.38Å; F207-K242 HydrophobicContact CZ-CB 4.15Å; I212-K242 HydrophobicContact CG2-CB 4.2Å; I212-K242 HydrophobicContact CG2-CD 3.53Å; L214-K242 HydrophobicContact CD1-CD 4.24Å; L214-K242 HydrophobicContact CD2-CB 4.36Å; L214-K242 HydrophobicContact CD2-CG 4.38Å; V230-K242 HydrophobicContact CG2-CG 4.42Å; V230-K242 VanDerWaalsContact O-CE 3.3Å; V230-K242 WeakPolarHBondContact O-CE 3.43Å; V230-K242 WeakPolarHBondContact O-CG 3.4Å; V230-K242 PolarHBondContact O-NZ 2.87Å; T232-K242 WeakPolarHBondContact OG1-CD 3.33Å; T232-K242 PolarHBondContact OG1-NZ 3.04Å
243W98.1Very high95.3Very high26 Ų2643.8 Ų43.810%0.09829%0.285CS..EExtended strand (participates in β ladder)trans-143.8157.5169.459.1-98.2000111.4R201 C202 W203 E228 V230 A245R201-W243 HydrophobicContact CG-CB 4.03Å; R201-W243 HydrophobicContact CG-CD2 4.15Å; R201-W243 HydrophobicContact CG-CE3 3.87Å; R201-W243 HydrophobicContact CG-CG 4.26Å; C202-W243 CarbonylContact O-C 3.53Å; C202-W243 WeakPolarHBondContact O-CA 3.34Å; C202-W243 VanDerWaalsContact O-CB 3.23Å; C202-W243 WeakPolarHBondContact O-CB 3.27Å; W203-W243 HydrophobicContact CD2-CB 3.91Å; W203-W243 HydrophobicContact CD2-CG 4.42Å; W203-W243 HydrophobicContact CE3-CB 3.81Å; W203-W243 AromaticContact CE3-CD1 3.82Å; W203-W243 HydrophobicContact CE3-CG 4.11Å; W203-W243 HydrophobicContact CG-CB 4.34Å; W203-W243 AromaticContact CH2-CD1 3.66Å; W203-W243 HydrophobicContact CH2-CG 4.24Å; W203-W243 HydrophobicContact CZ3-CB 4.24Å; W203-W243 AromaticContact CZ3-CD1 3.36Å; W203-W243 HydrophobicContact CZ3-CG 4.02Å; E228-W243 HydrophobicContact CB-CZ3 4.21Å; E228-W243 HydrophobicContact CG-CH2 3.85Å; E228-W243 HydrophobicContact CG-CZ3 3.8Å; E228-W243 WeakPolarHBondContact O-CZ3 3.41Å; E228-W243 WeakPolarHBondContact OE1-CH2 3.37Å; V230-W243 HydrophobicContact CB-CD2 4.5Å; V230-W243 HydrophobicContact CB-CZ2 4.37Å; V230-W243 HydrophobicContact CG1-CD2 3.99Å; V230-W243 HydrophobicContact CG1-CE3 4.32Å; V230-W243 HydrophobicContact CG1-CH2 3.58Å; V230-W243 HydrophobicContact CG1-CZ2 3.16Å; V230-W243 HydrophobicContact CG1-CZ3 4.13Å; V230-W243 HydrophobicContact CG2-CD2 3.73Å; V230-W243 HydrophobicContact CG2-CE3 4.47Å; V230-W243 HydrophobicContact CG2-CG 3.72Å; V230-W243 HydrophobicContact CG2-CZ2 4.36Å; V230-W243 WeakPolarHBondContact CG2-O 3.47Å; V230-W243 PolarHBondContact N-O 3.15Å; W243-A245 HydrophobicContact CE3-CB 4.01Å; W243-A245 HydrophobicContact CZ3-CB 3.71Å
244A97.9Very high95.1Very high0 Ų043.9 Ų43.90%029%0.289CS..EExtended strand (participates in β ladder)trans-131.5132.2173.600000108.7R201 C202 L214 W216 T227 E228 L229R201-A244 WeakPolarHBondContact CA-O 3.4Å; C202-A244 PolarHBondContact N-O 2.78Å; C202-A244 PolarHBondContact O-N 3.3Å; L214-A244 HydrophobicContact CB-CB 4.02Å; L214-A244 HydrophobicContact CD2-CB 4.26Å; W216-A244 VanDerWaalsContact NE1-C 3.34Å; W216-A244 PolarHBondContact NE1-O 3.1Å; T227-A244 HydrophobicContact CG2-CB 3.99Å; E228-A244 CarbonylContact O-C 3.57Å; E228-A244 WeakPolarHBondContact O-CA 3.45Å; L229-A244 HydrophobicContact CD1-CB 3.65Å
245A97.3Very high95Very high2 Ų244.6 Ų44.62%0.01728%0.28CS..EExtended strand (participates in β ladder)trans-123.3147.3179.500000112T199 L200 R201 T227 E228 W243T199-A245 HydrophobicContact CG2-CB 3.9Å; L200-A245 CarbonylContact O-C 3.52Å; L200-A245 WeakPolarHBondContact O-CA 3.32Å; R201-A245 HydrophobicContact CB-CB 3.92Å; R201-A245 HydrophobicContact CG-CB 4.08Å; T227-A245 CarbonylContact C-O 3.5Å; T227-A245 VanDerWaalsContact CA-O 3.31Å; T227-A245 WeakPolarHBondContact CA-O 3.41Å; E228-A245 HydrophobicContact CB-CB 4.36Å; E228-A245 PolarHBondContact N-O 3.07Å; E228-A245 PolarHBondContact O-N 3.36Å; W243-A245 HydrophobicContact CE3-CB 4.01Å; W243-A245 HydrophobicContact CZ3-CB 3.71Å
246V97Very high95Very high3 Ų342.6 Ų42.62%0.01826%0.262CS..EExtended strand (participates in β ladder)trans-136.5142.2175.764.50000109.1T199 L200 W216 V248 Y256T199-V246 WeakPolarHBondContact CA-O 3.38Å; L200-V246 HydrophobicContact CB-CG1 4.32Å; L200-V246 PolarHBondContact N-O 3.45Å; L200-V246 PolarHBondContact O-N 3.09Å; W216-V246 HydrophobicContact CD2-CB 4.31Å; W216-V246 HydrophobicContact CD2-CG1 3.56Å; W216-V246 HydrophobicContact CE3-CG1 3.81Å; W216-V246 HydrophobicContact CG-CB 4.18Å; W216-V246 HydrophobicContact CG-CG1 3.93Å; W216-V246 HydrophobicContact CH2-CG1 4.25Å; W216-V246 HydrophobicContact CZ2-CG1 4.06Å; W216-V246 HydrophobicContact CZ3-CG1 4.15Å; V246-V248 HydrophobicContact CG1-CG1 3.76Å; V246-Y256 HydrophobicContact CG1-CD1 4.06Å; V246-Y256 HydrophobicContact CG2-CD1 4.36Å; V246-Y256 HydrophobicContact CG2-CE1 4.13Å
247V96.3Very high95.2Very high75 Ų7539.4 Ų39.446%0.45523%0.227SC..EExtended strand (participates in β ladder)trans-84.6126.9171.4-178.70000108.1E197 A198E197-V247 HydrophobicContact CB-CG1 4.14Å; E197-V247 HydrophobicContact CG-CG1 4.35Å; A198-V247 WeakPolarHBondContact O-CA 3.31Å
248V95.3Very high95.5Very high1 Ų134.4 Ų34.41%0.00620%0.201CC..EExtended strand (participates in β ladder)trans-124.6143-176.7-52.90000110.4E197 A198 L200 V246 E253 Y256E197-V248 WeakPolarHBondContact CA-O 3Å; A198-V248 HydrophobicContact CB-CG2 4.35Å; A198-V248 PolarHBondContact N-O 3.37Å; A198-V248 WeakPolarHBondContact O-CG2 3.47Å; A198-V248 PolarHBondContact O-N 2.92Å; L200-V248 HydrophobicContact CD1-CG1 3.98Å; L200-V248 HydrophobicContact CD1-CG2 4.02Å; L200-V248 HydrophobicContact CG-CG1 4.17Å; L200-V248 HydrophobicContact CG-CG2 3.82Å; V246-V248 HydrophobicContact CG1-CG1 3.76Å; V248-E253 HydrophobicContact CG2-CG 3.92Å; V248-Y256 HydrophobicContact CB-CD2 3.96Å; V248-Y256 HydrophobicContact CB-CE2 3.68Å; V248-Y256 HydrophobicContact CG1-CD1 3.75Å; V248-Y256 HydrophobicContact CG1-CD2 3.51Å; V248-Y256 HydrophobicContact CG1-CE1 3.76Å; V248-Y256 HydrophobicContact CG1-CE2 3.54Å; V248-Y256 HydrophobicContact CG1-CG 3.62Å
249P94.8Very high95.8Very high48 Ų4834 Ų3431%0.31219%0.188SC..EExtended strand (participates in β ladder)trans-63.5140169.9-20.632.5000111H196 G251 Q252H196-P249 CarbonylContact O-C 3.58Å; H196-P249 WeakPolarHBondContact O-CA 3.01Å; P249-G251 PolarHBondContact O-N 3.23Å; P249-Q252 HydrophobicContact CB-CB 4.39Å; P249-Q252 HydrophobicContact CB-CG 4.13Å; P249-Q252 WeakPolarHBondContact O-CB 3.43Å; P249-Q252 PolarHBondContact O-N 3.29Å
250S89.8Confident95.9Very high56 Ų5633.3 Ų33.339%0.39218%0.184SC..THydrogen-bonded Turntrans-56.5132.3177.1-61.80000111.3H196 E197 Q252 E253H196-S250 PolarHBondContact O-N 3.05Å; H196-S250 PolarHBondContact O-OG 3.13Å; E197-S250 PolarHBondContact N-OG 3.01Å; S250-Q252 VanDerWaalsContact C-N 3.3Å; S250-E253 WeakPolarHBondContact CA-OE1 3.48Å
251G89.1Confident95.9Very high67 Ų6737 Ų3769%0.69120%0.201SC*.THydrogen-bonded Turntrans84.3-3.6-176.700000114.7P249 E253P249-G251 PolarHBondContact O-N 3.23Å; G251-E253 WeakPolarHBondContact CA-OE2 3.25Å; G251-E253 VanDerWaalsContact N-CD 3.32Å; G251-E253 PolarHBondContact N-OE1 3.46Å; G251-E253 PolarHBondContact N-OE2 3.18Å
252Q93.6Very high95.8Very high64 Ų6435.6 Ų35.630%0.29919%0.194SC..  trans-104.25.1175.5-59.6-167.536.500113.4P249 S250 Q254 R255 Y256P249-Q252 HydrophobicContact CB-CB 4.39Å; P249-Q252 HydrophobicContact CB-CG 4.13Å; P249-Q252 WeakPolarHBondContact O-CB 3.43Å; P249-Q252 PolarHBondContact O-N 3.29Å; S250-Q252 VanDerWaalsContact C-N 3.3Å; Q252-Q254 PolarHBondContact O-N 2.81Å; Q252-Q254 VanDerWaalsContact O-N 3.11Å; Q252-R255 WeakPolarHBondContact O-CB 3.46Å; Q252-R255 PolarHBondContact O-N 3.18Å; Q252-Y256 HydrophobicContact CB-CE2 4.34Å; Q252-Y256 VanDerWaalsContact O-CD2 3.3Å; Q252-Y256 WeakPolarHBondContact O-CD2 3.43Å
253E93.4Very high95.7Very high18 Ų1841.9 Ų41.98%0.08422%0.224CC..G310 helixtrans-54.6-36.8-174.2-59.379-175.900112L200 V248 S250 G251 R255 Y256 W273L200-E253 HydrophobicContact CD1-CB 4.05Å; L200-E253 HydrophobicContact CD1-CG 4.42Å; L200-E253 HydrophobicContact CD2-CG 4.27Å; V248-E253 HydrophobicContact CG2-CG 3.92Å; S250-E253 WeakPolarHBondContact CA-OE1 3.48Å; G251-E253 WeakPolarHBondContact CA-OE2 3.25Å; G251-E253 VanDerWaalsContact N-CD 3.32Å; G251-E253 PolarHBondContact N-OE1 3.46Å; G251-E253 PolarHBondContact N-OE2 3.18Å; E253-R255 PolarHBondContact O-N 3.18Å; E253-Y256 PolarHBondContact O-N 2.68Å; E253-Y256 VanDerWaalsContact O-N 3.14Å; E253-W273 HydrophobicContact CB-CD2 4.24Å; E253-W273 HydrophobicContact CB-CE3 3.47Å; E253-W273 VanDerWaalsContact CB-CE3 3.47Å; E253-W273 HydrophobicContact CB-CZ3 3.95Å; E253-W273 HydrophobicContact CG-CE3 3.89Å; E253-W273 HydrophobicContact CG-CZ3 4.02Å
254Q92.9Very high95.5Very high95 Ų9541.6 Ų41.644%0.44423%0.23SC..G310 helixtrans-67.8-19.2-179.4-64.5-57.7-41.400114.4Q252 Y256 W273Q252-Q254 PolarHBondContact O-N 2.81Å; Q252-Q254 VanDerWaalsContact O-N 3.11Å; Q254-Y256 VanDerWaalsContact C-N 3.26Å; Q254-W273 PolarHBondContact NE2-O 3.44Å
255R95.3Very high95.5Very high109 Ų10942.8 Ų42.841%0.41124%0.236SC..G310 helixtrans-77.4-16.5176.1-63.4175.367-175.48.6112.1R218 D219 Q252 E253R218-R255 WeakPolarHBondContact CA-O 3.39Å; R218-R255 HydrophobicContact CG-CB 4.36Å; D219-R255 PolarHBondContact N-O 2.88Å; D219-R255 IonicContact OD1-NE 3.44Å; D219-R255 PolarHBondContact OD1-NE 2.9Å; D219-R255 IonicContact OD2-CZ 3.07Å; D219-R255 IonicContact OD2-NE 3.51Å; D219-R255 PolarHBondContact OD2-NE 2.82Å; D219-R255 IonicContact OD2-NH2 2.61Å; D219-R255 PolarHBondContact OD2-NH2 2.83Å; Q252-R255 WeakPolarHBondContact O-CB 3.46Å; Q252-R255 PolarHBondContact O-N 3.18Å; E253-R255 PolarHBondContact O-N 3.18Å
256Y96.4Very high95.4Very high6 Ų649 Ų492%0.02428%0.276CS..EExtended strand (participates in β ladder)trans-97.3130.6-178-66.8-99.6000111Q217 R218 Q223 V246 V248 Q252 E253 Q254Q217-Y256 CarbonylContact O-C 3.51Å; Q217-Y256 VanDerWaalsContact O-CA 3.27Å; Q217-Y256 WeakPolarHBondContact O-CA 3.34Å; R218-Y256 HydrophobicContact CB-CD1 4.05Å; R218-Y256 HydrophobicContact CB-CE1 3.88Å; R218-Y256 VanDerWaalsContact CD-CZ 3.49Å; R218-Y256 WeakPolarHBondContact CD-OH 3.2Å; R218-Y256 HydrophobicContact CG-CD1 4.42Å; R218-Y256 HydrophobicContact CG-CE1 4.06Å; R218-Y256 HydrophobicContact CG-CE2 4.21Å; Q223-Y256 HydrophobicContact CG-CE1 4.38Å; V246-Y256 HydrophobicContact CG1-CD1 4.06Å; V246-Y256 HydrophobicContact CG2-CD1 4.36Å; V246-Y256 HydrophobicContact CG2-CE1 4.13Å; V248-Y256 HydrophobicContact CB-CD2 3.96Å; V248-Y256 HydrophobicContact CB-CE2 3.68Å; V248-Y256 HydrophobicContact CG1-CD1 3.75Å; V248-Y256 HydrophobicContact CG1-CD2 3.51Å; V248-Y256 HydrophobicContact CG1-CE1 3.76Å; V248-Y256 HydrophobicContact CG1-CE2 3.54Å; V248-Y256 HydrophobicContact CG1-CG 3.62Å; Q252-Y256 HydrophobicContact CB-CE2 4.34Å; Q252-Y256 VanDerWaalsContact O-CD2 3.3Å; Q252-Y256 WeakPolarHBondContact O-CD2 3.43Å; E253-Y256 PolarHBondContact O-N 2.68Å; E253-Y256 VanDerWaalsContact O-N 3.14Å; Q254-Y256 VanDerWaalsContact C-N 3.26Å
257T97.4Very high95.4Very high10 Ų1056.9 Ų56.96%0.06131%0.31CS..EExtended strand (participates in β ladder)trans-123.1134.717645.90000110.4W216 Q217 H259 T270 L271 R272W216-T257 WeakPolarHBondContact CA-O 2.99Å; W216-T257 VanDerWaalsContact CE3-C 3.49Å; Q217-T257 PolarHBondContact N-O 3.34Å; Q217-T257 PolarHBondContact O-N 2.97Å; T257-H259 PolarHBondContact OG1-NE2 2.84Å; T257-T270 HydrophobicContact CG2-CG2 3.87Å; T257-L271 CarbonylContact C-O 3.58Å; T257-L271 WeakPolarHBondContact CA-O 3.29Å; T257-R272 HydrophobicContact CG2-CG 3.51Å; T257-R272 VanDerWaalsContact CG2-NE 3.29Å
258C97.8Very high95.4Very high0 Ų057.1 Ų57.10%031%0.313CS..EExtended strand (participates in β ladder)trans-94.8128.6168.6174.70000109.5M188 C202 T215 W216 T270 L271M188-C258 HydrophobicContact CE-CB 3.43Å; M188-C258 VanDerWaalsContact CE-CB 3.43Å; C202-C258 HydrophobicContact CB-CB 3.49Å; C202-C258 VanDerWaalsContact CB-CB 3.49Å; C202-C258 WeakPolarHBondContact CB-SG 3.29Å; C202-C258 WeakPolarHBondContact SG-CB 3.44Å; C202-C258 CovalentContact SG-SG 2.03Å; C202-C258 PolarHBondContact SG-SG 2.87Å; T215-C258 CarbonylContact O-C 3.53Å; T215-C258 WeakPolarHBondContact O-CA 3.23Å; W216-C258 HydrophobicContact CD2-CB 4.21Å; W216-C258 HydrophobicContact CE3-CB 4.19Å; W216-C258 HydrophobicContact CH2-CB 4.17Å; W216-C258 HydrophobicContact CZ2-CB 4.16Å; W216-C258 HydrophobicContact CZ3-CB 4.17Å; C258-T270 CarbonylContact O-C 3.59Å; C258-T270 WeakPolarHBondContact O-CA 3.48Å; C258-L271 HydrophobicContact CB-CB 4.26Å; C258-L271 PolarHBondContact N-O 2.84Å; C258-L271 PolarHBondContact O-N 3.28Å
259H97.7Very high95.5Very high32 Ų3260 Ų6015%0.14833%0.329CS..EExtended strand (participates in β ladder)trans-107128.3176.9-62.8-103000109.4L214 T215 Q217 T257 L269 T270L214-H259 WeakPolarHBondContact CA-O 3.31Å; T215-H259 PolarHBondContact N-O 3.5Å; T215-H259 PolarHBondContact O-N 2.92Å; Q217-H259 PolarHBondContact OE1-NE2 2.73Å; T257-H259 PolarHBondContact OG1-NE2 2.84Å; H259-L269 CarbonylContact C-O 3.58Å; H259-L269 WeakPolarHBondContact CA-O 3.2Å; H259-T270 PolarHBondContact ND1-OG1 2.69Å
260V98.2Very high95.6Very high0 Ų061.6 Ų61.60%034%0.337CS..EExtended strand (participates in β ladder)trans-120.5119.8-178.9-174.80000108.8P184 T186 I212 T213 L214 L265 P268 L269 L271P184-V260 HydrophobicContact CG-CG1 3.99Å; T186-V260 HydrophobicContact CG2-CG1 4.31Å; T186-V260 HydrophobicContact CG2-CG2 4.14Å; I212-V260 HydrophobicContact CD1-CG1 4Å; I212-V260 HydrophobicContact CG1-CG1 4.31Å; T213-V260 WeakPolarHBondContact O-CA 3.29Å; L214-V260 HydrophobicContact CD1-CG1 4.04Å; L214-V260 HydrophobicContact CD1-CG2 4.5Å; L214-V260 HydrophobicContact CG-CG2 4.3Å; V260-L265 HydrophobicContact CG1-CD1 4.17Å; V260-P268 WeakPolarHBondContact O-CA 3.44Å; V260-L269 HydrophobicContact CB-CB 4.32Å; V260-L269 PolarHBondContact N-O 3.24Å; V260-L269 PolarHBondContact O-N 3.41Å; V260-L271 HydrophobicContact CG2-CD1 3.99Å
261Q98.3Very high95.9Very high100 Ų10060.6 Ų60.647%0.46733%0.327SS..EExtended strand (participates in β ladder)trans-115.3129173.6-51.5-179.117.900109.1I212 T213 P268I212-Q261 WeakPolarHBondContact CG1-O 3.28Å; T213-Q261 PolarHBondContact N-O 3.43Å; T213-Q261 PolarHBondContact O-N 3.17Å; Q261-P268 HydrophobicContact CG-CB 4.08Å; Q261-P268 HydrophobicContact CG-CG 4.16Å
262H97.9Very high96.1Very high14 Ų1465 Ų657%0.06532%0.323CS..  trans-155.4145.2-179.3-175.7-101.2000108.1D182 P184 F207 Y208 P209 E211 I212 G264 L265D182-H262 PolarHBondContact O-CE1 3.35Å; P184-H262 HydrophobicContact CG-CB 4.14Å; F207-H262 AromaticContact CD2-CD2 3.8Å; F207-H262 AromaticContact CD2-NE2 3.6Å; Y208-H262 PolarHBondContact O-CE1 2.82Å; P209-H262 PolarHBondContact O-NE2 3.45Å; E211-H262 PolarHBondContact O-CD2 2.83Å; E211-H262 VanDerWaalsContact O-CD2 3.27Å; I212-H262 HydrophobicContact CD1-CB 4.31Å; I212-H262 HydrophobicContact CG1-CB 4.06Å; H262-G264 WeakPolarHBondContact ND1-CA 3.41Å; H262-G264 PolarHBondContact ND1-N 3.16Å; H262-G264 PolarHBondContact O-N 3.26Å; H262-L265 HydrophobicContact CB-CD1 3.97Å; H262-L265 HydrophobicContact CB-CG 4.15Å; H262-L265 WeakPolarHBondContact O-CB 3.34Å; H262-L265 PolarHBondContact O-N 3.35Å
263E95.1Very high96.1Very high153 Ų15364 Ų6472%0.71532%0.317SS*.THydrogen-bonded Turntrans-58.8-32-179.2-174.9174.8169.100112.5T181 L265T181-E263 HydrophobicContact CG2-CB 4.01Å; T181-E263 HydrophobicContact CG2-CG 4.12Å; E263-L265 PolarHBondContact O-N 2.81Å
264G95.1Very high95.6Very high21 Ų2170.8 Ų70.822%0.21635%0.348CS..THydrogen-bonded Turntrans-72.3-5.5177.500000114.5A183 H262A183-G264 WeakPolarHBondContact CB-O 3.03Å; H262-G264 WeakPolarHBondContact ND1-CA 3.41Å; H262-G264 PolarHBondContact ND1-N 3.16Å; H262-G264 PolarHBondContact O-N 3.26Å
265L97.3Very high94.9Very high24 Ų2470.1 Ų70.113%0.12635%0.352CS..  trans-100.3125.9176.4-65170.6000109.8A183 P184 V260 H262 E263 K267 L269A183-L265 HydrophobicContact CB-CD2 3.99Å; P184-L265 HydrophobicContact CG-CD1 3.88Å; P184-L265 HydrophobicContact CG-CD2 4.41Å; P184-L265 HydrophobicContact CG-CG 4.21Å; V260-L265 HydrophobicContact CG1-CD1 4.17Å; H262-L265 HydrophobicContact CB-CD1 3.97Å; H262-L265 HydrophobicContact CB-CG 4.15Å; H262-L265 WeakPolarHBondContact O-CB 3.34Å; H262-L265 PolarHBondContact O-N 3.35Å; E263-L265 PolarHBondContact O-N 2.81Å; L265-K267 WeakPolarHBondContact CB-O 3.04Å; L265-K267 PolarHBondContact O-N 3.35Å; L265-L269 HydrophobicContact CD1-CB 4.39Å; L265-L269 HydrophobicContact CD1-CD1 3.85Å; L265-L269 HydrophobicContact CD1-CG 3.81Å; L265-L269 HydrophobicContact CD2-CD1 3.54Å; L265-L269 HydrophobicContact CD2-CG 3.85Å; L265-L269 HydrophobicContact CG-CD1 4.35Å; L265-L269 HydrophobicContact CG-CG 4.41Å
266P95.8Very high93.4Very high134 Ų13469.5 Ų69.587%0.8737%0.365SS*.SBendtrans-65.1-24.6178.127-34.8000112.4
267K96.4Very high91.1Very high167 Ų16774.7 Ų74.773%0.72640%0.402SS*.SBendtrans-145.8150.9173.5-65.4-177.1-177.8177.50109.1L265 L269L265-K267 WeakPolarHBondContact CB-O 3.04Å; L265-K267 PolarHBondContact O-N 3.35Å; K267-L269 PolarHBondContact O-N 2.86Å
268P96.8Very high88.7Confident81 Ų8181.8 Ų81.853%0.52643%0.434SS..  trans-51.1135.7172.2-2836.2000112V260 Q261V260-P268 WeakPolarHBondContact O-CA 3.44Å; Q261-P268 HydrophobicContact CG-CB 4.08Å; Q261-P268 HydrophobicContact CG-CG 4.16Å
269L97.1Very high86.1Confident62 Ų6287 Ų8733%0.32547%0.468SS..EExtended strand (participates in β ladder)trans-86.9141.2173.5-68.3176.7000109.7T186 H259 V260 L265 K267T186-L269 HydrophobicContact CG2-CD1 4.42Å; H259-L269 CarbonylContact C-O 3.58Å; H259-L269 WeakPolarHBondContact CA-O 3.2Å; V260-L269 HydrophobicContact CB-CB 4.32Å; V260-L269 PolarHBondContact N-O 3.24Å; V260-L269 PolarHBondContact O-N 3.41Å; L265-L269 HydrophobicContact CD1-CB 4.39Å; L265-L269 HydrophobicContact CD1-CD1 3.85Å; L265-L269 HydrophobicContact CD1-CG 3.81Å; L265-L269 HydrophobicContact CD2-CD1 3.54Å; L265-L269 HydrophobicContact CD2-CG 3.85Å; L265-L269 HydrophobicContact CG-CD1 4.35Å; L265-L269 HydrophobicContact CG-CG 4.41Å; K267-L269 PolarHBondContact O-N 2.86Å
270T97.1Very high83.8Confident80 Ų8091.9 Ų91.949%0.49150%0.5SS..EExtended strand (participates in β ladder)trans-120.5118.4171.3-56.20000108T257 C258 H259T257-T270 HydrophobicContact CG2-CG2 3.87Å; C258-T270 CarbonylContact O-C 3.59Å; C258-T270 WeakPolarHBondContact O-CA 3.48Å; H259-T270 PolarHBondContact ND1-OG1 2.69Å
271L95.8Very high81.7Confident35 Ų3597 Ų9718%0.18353%0.527CS..EExtended strand (participates in β ladder)trans-108.3137.2-177.5-63.3158.1000109T186 M188 T257 C258 V260T186-L271 HydrophobicContact CG2-CD1 4.06Å; M188-L271 HydrophobicContact CE-CB 3.83Å; M188-L271 VanDerWaalsContact CE-O 3.29Å; M188-L271 WeakPolarHBondContact CE-O 3.35Å; M188-L271 HydrophobicContact CG-CB 4.5Å; M188-L271 HydrophobicContact SD-CB 4.48Å; T257-L271 CarbonylContact C-O 3.58Å; T257-L271 WeakPolarHBondContact CA-O 3.29Å; C258-L271 HydrophobicContact CB-CB 4.26Å; C258-L271 PolarHBondContact N-O 2.84Å; C258-L271 PolarHBondContact O-N 3.28Å; V260-L271 HydrophobicContact CG2-CD1 3.99Å
272R93.9Very high79.6Confident159 Ų15996.6 Ų96.660%0.653%0.532SS*.EExtended strand (participates in β ladder)trans-117.8152.3167.8-73.3-176.1179.81510.5108.8T257 E274T257-R272 HydrophobicContact CG2-CG 3.51Å; T257-R272 VanDerWaalsContact CG2-NE 3.29Å; R272-E274 PolarHBondContact O-N 2.04Å
273W92.3Very high77.7Confident45 Ų45101.5 Ų101.517%0.1756%0.558CS.*  trans-72.3125.5175.1174.372000108.8M188 H190 L200 E253 Q254 P275M188-W273 WeakPolarHBondContact SD-CA 3.32Å; M188-W273 HydrophobicContact SD-CB 3.81Å; M188-W273 PolarHBondContact SD-N 3.21Å; H190-W273 HydrophobicContact CB-CZ2 4.19Å; H190-W273 AromaticContact CD2-CZ2 3.99Å; H190-W273 AromaticContact CG-CE2 3.98Å; H190-W273 AromaticContact CG-CZ2 3.98Å; H190-W273 AromaticContact CG-NE1 3.96Å; L200-W273 HydrophobicContact CD1-CB 4.23Å; L200-W273 HydrophobicContact CD2-CB 3.95Å; L200-W273 HydrophobicContact CD2-CD2 4.34Å; L200-W273 HydrophobicContact CD2-CG 3.8Å; E253-W273 HydrophobicContact CB-CD2 4.24Å; E253-W273 HydrophobicContact CB-CE3 3.47Å; E253-W273 VanDerWaalsContact CB-CE3 3.47Å; E253-W273 HydrophobicContact CB-CZ3 3.95Å; E253-W273 HydrophobicContact CG-CE3 3.89Å; E253-W273 HydrophobicContact CG-CZ3 4.02Å; Q254-W273 PolarHBondContact NE2-O 3.44Å; W273-P275 HydrophobicContact CE3-CG 4.33Å; W273-P275 HydrophobicContact CH2-CB 3.91Å; W273-P275 HydrophobicContact CH2-CG 3.68Å; W273-P275 HydrophobicContact CZ2-CB 4.12Å; W273-P275 HydrophobicContact CZ2-CG 4.26Å; W273-P275 HydrophobicContact CZ3-CB 4.43Å; W273-P275 HydrophobicContact CZ3-CG 3.71Å
274E84.2Confident75.8Confident160 Ų16099.9 Ų99.975%0.74856%0.558SS**  trans-109126.7170.7-74-178.2176.500108.7R272 S276R272-E274 PolarHBondContact O-N 2.04Å; E274-S276 PolarHBondContact O-N 3.36Å
275P78.1Confident74.2Confident80 Ų80101 Ų10152%0.51957%0.57SS.*  trans-57.6123.9171.4-1524.5000108.8W273 S277W273-P275 HydrophobicContact CE3-CG 4.33Å; W273-P275 HydrophobicContact CH2-CB 3.91Å; W273-P275 HydrophobicContact CH2-CG 3.68Å; W273-P275 HydrophobicContact CZ2-CB 4.12Å; W273-P275 HydrophobicContact CZ2-CG 4.26Å; W273-P275 HydrophobicContact CZ3-CB 4.43Å; W273-P275 HydrophobicContact CZ3-CG 3.71Å; P275-S277 PolarHBondContact O-N 2.9Å
276S63Low72.7Confident97 Ų97104.5 Ų104.568%0.67859%0.588SS**  trans-51.4109.3173.7139.80000109.6E274 Q278E274-S276 PolarHBondContact O-N 3.36Å; S276-Q278 PolarHBondContact O-N 2.97Å
277S48.4Very low71.4Confident115 Ų115102.7 Ų102.780%0.80457%0.57SS**  trans-76.367.4167.362.60000108.6P275 P279P275-S277 PolarHBondContact O-N 2.9Å; S277-P279 WeakPolarHBondContact O-CD 3.36Å
278Q46.7Very low70.1Confident159 Ų15997 Ų9774%0.74355%0.554SS**  trans-67.9115.7158.8-86.1-172.3-14.300105.5S276 T280S276-Q278 PolarHBondContact O-N 2.97Å; Q278-T280 PolarHBondContact O-N 3.27Å
279P42.7Very low69Low110 Ų11094.7 Ų94.771%0.71455%0.545SS*.  trans-60.6116169.825.6-30.7000105.8S277 I281S277-P279 WeakPolarHBondContact O-CD 3.36Å; P279-I281 PolarHBondContact O-N 2.98Å
280T50.9Low68.1Low133 Ų13397.5 Ų97.582%0.81656%0.56SS**  trans-61.389.4164.8-370000105.2Q278 P282Q278-T280 PolarHBondContact O-N 3.27Å; T280-P282 VanDerWaalsContact O-CD 3.27Å; T280-P282 WeakPolarHBondContact O-CD 3.27Å
281I53.4Low67.2Low109 Ų10998.2 Ų98.256%0.55956%0.564SS**  trans-52.2119169.9-63.9175.2000103.7P279 I283 I286P279-I281 PolarHBondContact O-N 2.98Å; I281-I283 PolarHBondContact O-N 2.7Å; I281-I286 HydrophobicContact CG2-CD1 3.78Å
282P53Low66.1Low90 Ų90102.3 Ų102.358%0.58459%0.586SS**  trans-7383.4-176.628.7-32.2000107T280 V284 G285 I286T280-P282 VanDerWaalsContact O-CD 3.27Å; T280-P282 WeakPolarHBondContact O-CD 3.27Å; P282-V284 PolarHBondContact O-N 2.97Å; P282-V284 VanDerWaalsContact O-N 3.09Å; P282-G285 PolarHBondContact O-N 3.42Å; P282-I286 PolarHBondContact O-N 3.45Å
283I58.6Low65.2Low117 Ų117102 Ų10260%0.659%0.589SS**Hα-helixtrans-53.6-32.9178.2-66.9168.9000109.2I281 G285 I286 I287I281-I283 PolarHBondContact O-N 2.7Å; I283-G285 PolarHBondContact O-N 2.94Å; I283-I286 PolarHBondContact O-N 3Å; I283-I287 HydrophobicContact CG2-CD1 3.7Å; I283-I287 HydrophobicContact CG2-CG1 4.3Å; I283-I287 VanDerWaalsContact O-CG1 3.27Å; I283-I287 WeakPolarHBondContact O-CG1 3.2Å; I283-I287 PolarHBondContact O-N 3.17Å
284V56.5Low64.3Low119 Ų119101.7 Ų101.772%0.72160%0.599SS**Hα-helixtrans-61.7-40.1174.6-175.20000112.6P282 I287 A288P282-V284 PolarHBondContact O-N 2.97Å; P282-V284 VanDerWaalsContact O-N 3.09Å; V284-I287 PolarHBondContact O-N 3.39Å; V284-A288 WeakPolarHBondContact O-CB 3.37Å; V284-A288 PolarHBondContact O-N 3.44Å
285G60.2Low63.9Low46 Ų4696.8 Ų96.847%0.47459%0.586SS.*Hα-helixtrans-69.1-36.6178.700000112.8P282 I283 G289P282-G285 PolarHBondContact O-N 3.42Å; I283-G285 PolarHBondContact O-N 2.94Å; G285-G289 PolarHBondContact O-N 3.28Å
286I66.5Low64Low96 Ų9697.9 Ų97.949%0.49259%0.591SS.*Hα-helixtrans-70-43.1176.1-60.8174.9000110.4I281 P282 I283 G289 L290I281-I286 HydrophobicContact CG2-CD1 3.78Å; P282-I286 PolarHBondContact O-N 3.45Å; I283-I286 PolarHBondContact O-N 3Å; I286-G289 PolarHBondContact O-N 2.99Å; I286-L290 HydrophobicContact CG2-CD1 3.97Å; I286-L290 HydrophobicContact CG2-CG 4.48Å; I286-L290 WeakPolarHBondContact O-CB 3.31Å; I286-L290 WeakPolarHBondContact O-CG 3.37Å; I286-L290 PolarHBondContact O-N 2.95Å
287I68.1Low64.5Low96 Ų9698 Ų9849%0.49258%0.584SS.*Hα-helixtrans-64.1-46.8176.9-67.2169.8000110.8I283 V284 G289 L290 V291I283-I287 HydrophobicContact CG2-CD1 3.7Å; I283-I287 HydrophobicContact CG2-CG1 4.3Å; I283-I287 VanDerWaalsContact O-CG1 3.27Å; I283-I287 WeakPolarHBondContact O-CG1 3.2Å; I283-I287 PolarHBondContact O-N 3.17Å; V284-I287 PolarHBondContact O-N 3.39Å; I287-G289 VanDerWaalsContact C-N 3.32Å; I287-G289 PolarHBondContact O-N 3.06Å; I287-L290 PolarHBondContact O-N 2.73Å; I287-V291 HydrophobicContact CG2-CG2 4.31Å; I287-V291 VanDerWaalsContact O-CG2 3.28Å; I287-V291 WeakPolarHBondContact O-CG2 3.42Å; I287-V291 PolarHBondContact O-N 3.12Å
288A69.1Low65.7Low48 Ų4896.7 Ų96.740%0.39757%0.571SS.*Hα-helixtrans-60.7-4217700000111.8V284 V291 L292V284-A288 WeakPolarHBondContact O-CB 3.37Å; V284-A288 PolarHBondContact O-N 3.44Å; A288-V291 PolarHBondContact O-N 3Å; A288-L292 WeakPolarHBondContact O-CB 3.43Å; A288-L292 WeakPolarHBondContact O-CG 3.48Å; A288-L292 PolarHBondContact O-N 3.43Å
289G73.4Confident67Low33 Ų3391.1 Ų91.134%0.3456%0.556SS.*Hα-helixtrans-61.1-45.4175.100000113G285 I286 I287 L292 F293G285-G289 PolarHBondContact O-N 3.28Å; I286-G289 PolarHBondContact O-N 2.99Å; I287-G289 VanDerWaalsContact C-N 3.32Å; I287-G289 PolarHBondContact O-N 3.06Å; G289-L292 PolarHBondContact O-N 2.89Å; G289-F293 WeakPolarHBondContact O-CB 2.92Å; G289-F293 PolarHBondContact O-N 3.2Å
290L78.4Confident68.6Low120 Ų12088.7 Ų88.763%0.62855%0.545SS*.Hα-helixtrans-67.2-38.8178.3-74.4170000112.8I286 I287 F293 G294I286-L290 HydrophobicContact CG2-CD1 3.97Å; I286-L290 HydrophobicContact CG2-CG 4.48Å; I286-L290 WeakPolarHBondContact O-CB 3.31Å; I286-L290 WeakPolarHBondContact O-CG 3.37Å; I286-L290 PolarHBondContact O-N 2.95Å; I287-L290 PolarHBondContact O-N 2.73Å; L290-F293 PolarHBondContact O-N 3.39Å; L290-G294 PolarHBondContact O-N 2.67Å
291V77.3Confident69.8Low96 Ų9686.3 Ų86.358%0.58253%0.53SS*.Hα-helixtrans-65.4-44.1176.3171.20000110.7I287 A288 G294 A295I287-V291 HydrophobicContact CG2-CG2 4.31Å; I287-V291 VanDerWaalsContact O-CG2 3.28Å; I287-V291 WeakPolarHBondContact O-CG2 3.42Å; I287-V291 PolarHBondContact O-N 3.12Å; A288-V291 PolarHBondContact O-N 3Å; V291-G294 PolarHBondContact O-N 3.22Å; V291-A295 WeakPolarHBondContact O-CB 3.24Å; V291-A295 PolarHBondContact O-N 3.28Å
292L74.1Confident70.9Confident121 Ų12185.2 Ų85.263%0.63453%0.528SS*.Hα-helixtrans-63.7-44.5176.2-75168.6000111.6A288 G289 G294 A295 V296A288-L292 WeakPolarHBondContact O-CB 3.43Å; A288-L292 WeakPolarHBondContact O-CG 3.48Å; A288-L292 PolarHBondContact O-N 3.43Å; G289-L292 PolarHBondContact O-N 2.89Å; L292-G294 PolarHBondContact O-N 3.01Å; L292-A295 PolarHBondContact O-N 2.87Å; L292-V296 WeakPolarHBondContact O-CG2 3.47Å; L292-V296 PolarHBondContact O-N 3.35Å
293F73.8Confident71.8Confident152 Ų15283.6 Ų83.667%0.66752%0.522SS*.Hα-helixtrans-61.8-44.1175.8-116.7-90.2000111.9G289 L290 A295 V296 I297G289-F293 WeakPolarHBondContact O-CB 2.92Å; G289-F293 PolarHBondContact O-N 3.2Å; L290-F293 PolarHBondContact O-N 3.39Å; F293-A295 VanDerWaalsContact C-N 3.35Å; F293-A295 PolarHBondContact O-N 2.86Å; F293-V296 PolarHBondContact O-N 2.83Å; F293-I297 HydrophobicContact CD1-CD1 4.35Å; F293-I297 WeakPolarHBondContact O-CG1 3.16Å; F293-I297 PolarHBondContact O-N 3.13Å
294G73.9Confident72.5Confident38 Ų3880.8 Ų80.839%0.39252%0.516SS..Hα-helixtrans-58.9-44.7176.100000112.3L290 V291 L292 I297 T298L290-G294 PolarHBondContact O-N 2.67Å; V291-G294 PolarHBondContact O-N 3.22Å; L292-G294 PolarHBondContact O-N 3.01Å; G294-I297 PolarHBondContact O-N 3.27Å; G294-T298 PolarHBondContact O-N 3.44Å; G294-T298 PolarHBondContact O-OG1 3.17Å
295A76.1Confident73.3Confident57 Ų5779 Ų7947%0.47151%0.505SS..Hα-helixtrans-65.8-39.7178.500000112.8V291 L292 F293 T298 G299V291-A295 WeakPolarHBondContact O-CB 3.24Å; V291-A295 PolarHBondContact O-N 3.28Å; L292-A295 PolarHBondContact O-N 2.87Å; F293-A295 VanDerWaalsContact C-N 3.35Å; F293-A295 PolarHBondContact O-N 2.86Å; A295-T298 WeakPolarHBondContact CA-OG1 3.46Å; A295-T298 PolarHBondContact O-N 3.48Å; A295-T298 PolarHBondContact O-OG1 3.16Å; A295-G299 PolarHBondContact O-N 3.15Å
296V78.9Confident73.9Confident104 Ų10482.9 Ų82.963%0.6351%0.513SS*.Hα-helixtrans-65.1-43.5175.9172.10000110.9L292 F293 G299 A300L292-V296 WeakPolarHBondContact O-CG2 3.47Å; L292-V296 PolarHBondContact O-N 3.35Å; F293-V296 PolarHBondContact O-N 2.83Å; V296-G299 PolarHBondContact O-N 3.13Å; V296-A300 WeakPolarHBondContact O-CB 3.46Å; V296-A300 PolarHBondContact O-N 2.7Å
297I75.4Confident74.1Confident100 Ų10088.2 Ų88.251%0.51353%0.527SS..Hα-helixtrans-64.9-44.5178.1-68.2179.8000110.7F293 G294 G299 A300 V301F293-I297 HydrophobicContact CD1-CD1 4.35Å; F293-I297 WeakPolarHBondContact O-CG1 3.16Å; F293-I297 PolarHBondContact O-N 3.13Å; G294-I297 PolarHBondContact O-N 3.27Å; I297-G299 PolarHBondContact O-N 3.16Å; I297-A300 PolarHBondContact O-N 3.11Å; I297-V301 HydrophobicContact CG2-CG2 4.37Å; I297-V301 VanDerWaalsContact O-CG2 3.27Å; I297-V301 WeakPolarHBondContact O-CG2 3.43Å; I297-V301 PolarHBondContact O-N 2.94Å
298T72.7Confident74Confident87 Ų8793.1 Ų93.153%0.53454%0.54SS..Hα-helixtrans-63.4-43.3176.419.60000111.6G294 A295 A300 V301 V302G294-T298 PolarHBondContact O-N 3.44Å; G294-T298 PolarHBondContact O-OG1 3.17Å; A295-T298 WeakPolarHBondContact CA-OG1 3.46Å; A295-T298 PolarHBondContact O-N 3.48Å; A295-T298 PolarHBondContact O-OG1 3.16Å; T298-A300 PolarHBondContact O-N 2.84Å; T298-V301 PolarHBondContact O-N 3.25Å; T298-V302 WeakPolarHBondContact O-CB 3.13Å; T298-V302 VanDerWaalsContact O-CG2 3.27Å; T298-V302 WeakPolarHBondContact O-CG2 3.29Å; T298-V302 PolarHBondContact O-N 2.82Å
299G74.5Confident73.5Confident42 Ų42100.3 Ų100.343%0.43356%0.556SS.*Hα-helixtrans-58.9-44.9174.800000112.8A295 V296 I297 V302 A303A295-G299 PolarHBondContact O-N 3.15Å; V296-G299 PolarHBondContact O-N 3.13Å; I297-G299 PolarHBondContact O-N 3.16Å; G299-V302 PolarHBondContact O-N 3.4Å; G299-A303 WeakPolarHBondContact O-CB 3.33Å; G299-A303 PolarHBondContact O-N 3.01Å
300A75.7Confident72.7Confident58 Ų58107.3 Ų107.348%0.47958%0.578SS.*Hα-helixtrans-64.9-41.617800000112.5V296 I297 T298 A303 A304V296-A300 WeakPolarHBondContact O-CB 3.46Å; V296-A300 PolarHBondContact O-N 2.7Å; I297-A300 PolarHBondContact O-N 3.11Å; T298-A300 PolarHBondContact O-N 2.84Å; A300-A303 PolarHBondContact O-N 3.04Å; A300-A304 VanDerWaalsContact O-CB 3.29Å; A300-A304 WeakPolarHBondContact O-CB 3.45Å; A300-A304 PolarHBondContact O-N 3.09Å
301V76.5Confident71.5Confident83 Ų83104.6 Ų104.650%0.50357%0.568SS.*Hα-helixtrans-65.3-44.8176.8172.10000110.8I297 T298 A303 A304 V305I297-V301 HydrophobicContact CG2-CG2 4.37Å; I297-V301 VanDerWaalsContact O-CG2 3.27Å; I297-V301 WeakPolarHBondContact O-CG2 3.43Å; I297-V301 PolarHBondContact O-N 2.94Å; T298-V301 PolarHBondContact O-N 3.25Å; V301-A303 PolarHBondContact O-N 3.49Å; V301-A304 PolarHBondContact O-N 3.11Å; V301-V305 HydrophobicContact CG1-CG2 4.33Å; V301-V305 WeakPolarHBondContact O-CB 3.47Å; V301-V305 VanDerWaalsContact O-CG2 3.26Å; V301-V305 WeakPolarHBondContact O-CG2 3.25Å; V301-V305 PolarHBondContact O-N 3.32Å
302V75.7Confident70.2Confident86 Ų86104.2 Ų104.252%0.52157%0.57SS.*Hα-helixtrans-62.1-44.9177.1172.80000110.7T298 G299 A304 V305 M306T298-V302 WeakPolarHBondContact O-CB 3.13Å; T298-V302 VanDerWaalsContact O-CG2 3.27Å; T298-V302 WeakPolarHBondContact O-CG2 3.29Å; T298-V302 PolarHBondContact O-N 2.82Å; G299-V302 PolarHBondContact O-N 3.4Å; V302-A304 PolarHBondContact O-N 3.3Å; V302-V305 PolarHBondContact O-N 3.09Å; V302-M306 HydrophobicContact CG1-SD 4.21Å; V302-M306 WeakPolarHBondContact O-CB 3.29Å; V302-M306 WeakPolarHBondContact O-CG 3.48Å; V302-M306 PolarHBondContact O-N 3.33Å
303A72.4Confident68.9Low56 Ų56106 Ų10646%0.46358%0.58SS.*Hα-helixtrans-61.3-43.617600000112.1G299 A300 V301 M306 W307G299-A303 WeakPolarHBondContact O-CB 3.33Å; G299-A303 PolarHBondContact O-N 3.01Å; A300-A303 PolarHBondContact O-N 3.04Å; V301-A303 PolarHBondContact O-N 3.49Å; A303-M306 PolarHBondContact O-N 3.13Å; A303-W307 WeakPolarHBondContact O-CB 3.48Å; A303-W307 PolarHBondContact O-N 2.96Å
304A73.1Confident67.4Low58 Ų58109.2 Ų109.248%0.47959%0.588SS.*Hα-helixtrans-65.1-39.8177.100000112.5A300 V301 V302 W307 R308A300-A304 VanDerWaalsContact O-CB 3.29Å; A300-A304 WeakPolarHBondContact O-CB 3.45Å; A300-A304 PolarHBondContact O-N 3.09Å; V301-A304 PolarHBondContact O-N 3.11Å; V302-A304 PolarHBondContact O-N 3.3Å; A304-W307 PolarHBondContact O-N 3.15Å; A304-R308 WeakPolarHBondContact O-CB 3.37Å; A304-R308 PolarHBondContact O-N 2.98Å
305V72.8Confident65.9Low81 Ų81117.2 Ų117.249%0.49161%0.612SS.*Hα-helixtrans-67.4-42.1176.2170.60000111.1V301 V302 W307 R308 R309V301-V305 HydrophobicContact CG1-CG2 4.33Å; V301-V305 WeakPolarHBondContact O-CB 3.47Å; V301-V305 VanDerWaalsContact O-CG2 3.26Å; V301-V305 WeakPolarHBondContact O-CG2 3.25Å; V301-V305 PolarHBondContact O-N 3.32Å; V302-V305 PolarHBondContact O-N 3.09Å; V305-W307 VanDerWaalsContact C-N 3.34Å; V305-R308 PolarHBondContact O-N 3.17Å; V305-R309 PolarHBondContact O-N 3.39Å
306M73.1Confident63.8Low129 Ų129118.5 Ų118.564%0.63563%0.63SS**Hα-helixtrans-63.4-40.1174.4-73.5-17669.100111.8V302 A303 R309 K310V302-M306 HydrophobicContact CG1-SD 4.21Å; V302-M306 WeakPolarHBondContact O-CB 3.29Å; V302-M306 WeakPolarHBondContact O-CG 3.48Å; V302-M306 PolarHBondContact O-N 3.33Å; A303-M306 PolarHBondContact O-N 3.13Å; M306-R309 PolarHBondContact O-N 3.03Å; M306-K310 WeakPolarHBondContact O-CB 3.41Å; M306-K310 PolarHBondContact O-N 2.89Å
307W71Confident61.6Low208 Ų208117.3 Ų117.379%0.78864%0.639SS**Hα-helixtrans-63.6-44.1174-159.1-52.5000111.4A303 A304 V305 K310 S311A303-W307 WeakPolarHBondContact O-CB 3.48Å; A303-W307 PolarHBondContact O-N 2.96Å; A304-W307 PolarHBondContact O-N 3.15Å; V305-W307 VanDerWaalsContact C-N 3.34Å; W307-K310 PolarHBondContact O-N 3.23Å; W307-S311 WeakPolarHBondContact O-CB 3.44Å; W307-S311 PolarHBondContact O-N 2.84Å; W307-S311 PolarHBondContact O-OG 3.42Å
308R65.7Low59.5Low199 Ų199117.8 Ų117.875%0.75165%0.652SS**Hα-helixtrans-60.5-46.1175.5-98.9-174.2177.8175.50.8112A304 V305 K310 S311 S312A304-R308 WeakPolarHBondContact O-CB 3.37Å; A304-R308 PolarHBondContact O-N 2.98Å; V305-R308 PolarHBondContact O-N 3.17Å; R308-K310 VanDerWaalsContact C-N 3.32Å; R308-K310 PolarHBondContact O-N 3.37Å; R308-S311 WeakPolarHBondContact CA-OG 3.21Å; R308-S311 PolarHBondContact O-N 3.14Å; R308-S311 VanDerWaalsContact O-N 3.1Å; R308-S311 PolarHBondContact O-OG 3.12Å; R308-S312 PolarHBondContact O-N 3.14Å; R308-S312 PolarHBondContact O-OG 2.93Å
309R59.9Low57.6Low198 Ų198123.8 Ų123.875%0.74767%0.666SS**Hα-helixtrans-60-39.6175.4-99.1-175.3166.1178.9-3.5112.5V305 M306 S311 S312V305-R309 PolarHBondContact O-N 3.39Å; M306-R309 PolarHBondContact O-N 3.03Å; R309-S311 VanDerWaalsContact C-N 3.32Å; R309-S311 PolarHBondContact O-N 3.24Å; R309-S312 PolarHBondContact O-OG 3.39Å; R309-S312 VanDerWaalsContact O-OG 3.04Å
310K55Low55.7Low181 Ų181126.5 Ų126.579%0.78768%0.678SS**Hα-helixtrans-71.2-25.4175.9-164.7173.1-179.4178.90113.1M306 W307 R308M306-K310 WeakPolarHBondContact O-CB 3.41Å; M306-K310 PolarHBondContact O-N 2.89Å; W307-K310 PolarHBondContact O-N 3.23Å; R308-K310 VanDerWaalsContact C-N 3.32Å; R308-K310 PolarHBondContact O-N 3.37Å
311S53.2Low53.7Low62 Ų62133.3 Ų133.343%0.43470%0.7SS.*Hα-helixtrans-88.7-21.217870.10000114.4W307 R308 R309W307-S311 WeakPolarHBondContact O-CB 3.44Å; W307-S311 PolarHBondContact O-N 2.84Å; W307-S311 PolarHBondContact O-OG 3.42Å; R308-S311 WeakPolarHBondContact CA-OG 3.21Å; R308-S311 PolarHBondContact O-N 3.14Å; R308-S311 VanDerWaalsContact O-N 3.1Å; R308-S311 PolarHBondContact O-OG 3.12Å; R309-S311 VanDerWaalsContact C-N 3.32Å; R309-S311 PolarHBondContact O-N 3.24Å
312S51.6Low51.7Low89 Ų89134 Ų13462%0.62272%0.715SS**Hα-helixtrans-80.4-14.7177.454.90000114.1R308 R309 R314R308-S312 PolarHBondContact O-N 3.14Å; R308-S312 PolarHBondContact O-OG 2.93Å; R309-S312 PolarHBondContact O-OG 3.39Å; R309-S312 VanDerWaalsContact O-OG 3.04Å; S312-R314 PolarHBondContact O-N 2.77Å
313D45.1Very low49.7Very low157 Ų157134.4 Ų134.484%0.8473%0.727SS**THydrogen-bonded Turntrans-78.43.2171.4-108.7-2.6000113.3
314R43.7Very low47.8Very low220 Ų220137.2 Ų137.283%0.8374%0.743SS**SBendtrans-142.261.7-176.1-159.4176.4178.1165.4-0.4112.3S312S312-R314 PolarHBondContact O-N 2.77Å
315K41.1Very low46Very low207 Ų207139.8 Ų139.890%0.976%0.758SS**  trans-159.492.1156.3-113.6168.8-174.4-176.20112
316G33.6Very low44.1Very low83 Ų83143.6 Ų143.686%0.85678%0.775SS**  trans-98.8116.9164.100000111
317G32.3Very low42.7Very low79 Ų79143 Ų14381%0.81478%0.784SS**  trans77.2113.4145.900000119.7
318S31.1Very low41Very low111 Ų111137.6 Ų137.678%0.77678%0.784SS**  160.3117.1102.3-1730000113.3
319Y31.7Very low39.9Very low212 Ų212137.7 Ų137.783%0.83179%0.792SS**  trans31.4113140.5-76-88.7000122.8
320S35.4Very low38.7Very low99 Ų99131.1 Ų131.169%0.69279%0.787SS**  40.2129.6124.660.70000121.5
321Q33.7Very low38Very low201 Ų201127.8 Ų127.894%0.93979%0.786SS**  -166.3150.9106.9-150.6160.3-3.200112.1
322A34.9Very low37.4Very low98 Ų98131.5 Ų131.581%0.8180%0.801SS**  trans-93.1154.4-172.600000114.3
323A33.2Very low36.6Very low94 Ų94133.2 Ų133.278%0.77781%0.807SS**  trans-166.7111.414600000106.9
324S32.2Very low36.2Very low115 Ų115129.9 Ų129.980%0.80480%0.797SS**  67.5107.683.9176.20000114.6
325S35.3Very low36.1Very low112 Ų112127.4 Ų127.478%0.78380%0.799SS**  trans162.2105.5137.640.70000107.8
326D34.3Very low36Very low161 Ų161123.8 Ų123.886%0.86179%0.794SS**  58.4105.580.2-91.9-11.7000115.9
327S42.3Very low36.2Very low118 Ų118123.8 Ų123.883%0.82579%0.786SS**  trans17399.8142.226.60000106.7
328A36.4Very low36.4Very low94 Ų94125.8 Ų125.878%0.77779%0.787SS**  83138.37300000113.9
329Q42.9Very low36.8Very low200 Ų200130.1 Ų130.194%0.93579%0.791SS**  trans77.1110.4178.5-64.8177.2-29.500114.9
330G34.4Very low37.3Very low61 Ų61130.2 Ų130.263%0.62981%0.813SS**  cis121.2104.325.100000106.9
331S39.5Very low37.4Very low110 Ų110131.8 Ų131.877%0.76982%0.819SS**  60.7129.8111.36.30000113.2
332D39.8Very low37.6Very low140 Ų140128.1 Ų128.175%0.74981%0.813SS**  cis-156146.834.3-84.8-43.7000108.4
333V35.7Very low37.7Very low125 Ų125129.8 Ų129.876%0.75881%0.813SS**  59.812265.4-179.50000109.2
334S35.9Very low38Very low88 Ų88131.9 Ų131.962%0.61582%0.815SS**  cis-153.4170.227.3-460000107.5
335L41.9Very low38.4Very low168 Ų168132.9 Ų132.988%0.8882%0.816SS**  -171.9122.288.1-91.4163.6000111.1
336T39.5Very low38.6Very low130 Ų130134.3 Ų134.380%0.79882%0.818SS**  trans-63124.3156.6-9.80000109.8
337A37.8Very low38.9Very low83 Ų83132.4 Ų132.469%0.68682%0.815SS**  83.5152.9108.100000121.3
338C36.5Very low38.6Very low122 Ų122133.5 Ų133.582%0.82482%0.815SS**  trans83.2107.9168-64.40000115.8
339K39.4Very low38.8Very low201 Ų201136.8 Ų136.887%0.87482%0.818SS**  72.210058.8-160.9-173-160.1-177.60111.9
340V42.4Very low38.4Very low214 Ų214131.1 Ų131.1100%1.29781%0.807SS**  -1440113.5175.20000107

Retrieved 340 of 340 residues in 1468.3 ms (Link to these results)

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