A0A077HBK1_HUMAN Loading...

MHC class I antigen

AlphaFold DB , UniProt , Accession A0A077HBK1, Species HUMAN (Homo sapiens, Human), Gene HLA-B, Length 273 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
1S95.9Very high98.5Very high102 Ų10237.8 Ų37.871%0.71321%0.209SC*.  0162.4038.80000107.3V102S1-V102 WeakPolarHBondContact CA-O 3.22Å; S1-V102 VanDerWaalsContact CB-O 3.29Å; S1-V102 WeakPolarHBondContact CB-O 3.42Å
2H98.6Very high98.5Very high43 Ų4336.1 Ų36.120%0.19920%0.202CC..EExtended strand (participates in β ladder)trans-138.5159.9-179.8-65.7-75.9000110.8D28 D101 V102 L167 L171H2-D28 VanDerWaalsContact CA-OD1 3.22Å; H2-D28 WeakPolarHBondContact CA-OD1 3.39Å; H2-D28 IonicContact CE1-OD2 3.55Å; H2-D28 IonicContact CG-OD2 3.48Å; H2-D28 IonicContact ND1-OD1 2.75Å; H2-D28 IonicContact ND1-OD2 3.4Å; H2-D28 PolarHBondContact ND1-OD2 2.84Å; H2-D101 CarbonylContact O-C 3.59Å; H2-D101 WeakPolarHBondContact O-CA 3.44Å; H2-V102 HydrophobicContact CB-CG2 4.1Å; H2-V102 PolarHBondContact N-O 3.08Å; H2-V102 PolarHBondContact O-N 3.09Å; H2-L167 HydrophobicContact CB-CD1 4.4Å; H2-L171 HydrophobicContact CB-CD1 3.72Å; H2-L171 HydrophobicContact CB-CD2 3.97Å; H2-L171 HydrophobicContact CB-CG 4.42Å; H2-L171 VanDerWaalsContact CG-CD2 3.47Å; H2-L171 WeakPolarHBondContact ND1-CD2 3.31Å
3S98.7Very high98.4Very high26 Ų2639.1 Ų39.118%0.18221%0.208CC..EExtended strand (participates in β ladder)trans-135.3148.5177.264.70000111.3V27 D28 C100 D101S3-V27 CarbonylContact O-C 3.59Å; S3-V27 VanDerWaalsContact O-CA 3.31Å; S3-V27 WeakPolarHBondContact O-CA 3.34Å; S3-D28 PolarHBondContact N-OD1 3.14Å; S3-D28 PolarHBondContact O-N 3.28Å; S3-D28 PolarHBondContact OG-OD1 2.9Å; S3-C100 WeakPolarHBondContact CA-O 3.39Å; S3-D101 WeakPolarHBondContact CB-OD1 3.38Å
4M98.9Very high98.1Very high1 Ų140.1 Ų40.11%0.00522%0.218CC..EExtended strand (participates in β ladder)trans-121.1126.9165.3-175.9171.262.900108.3Y6 Y26 V27 F32 G99 C100 C163 W166 L167 Y170M4-Y6 HydrophobicContact CE-CE2 4.37Å; M4-Y6 HydrophobicContact CG-CE2 4.41Å; M4-Y6 HydrophobicContact SD-CE2 4.28Å; M4-Y26 CarbonylContact C-O 3.55Å; M4-Y26 WeakPolarHBondContact CA-O 3.47Å; M4-V27 HydrophobicContact CG-CG2 4.36Å; M4-F32 HydrophobicContact CG-CE1 4.49Å; M4-F32 HydrophobicContact SD-CZ 4.39Å; M4-G99 CarbonylContact O-C 3.54Å; M4-G99 WeakPolarHBondContact O-CA 3.03Å; M4-C100 PolarHBondContact N-O 2.98Å; M4-C100 PolarHBondContact O-N 3.22Å; M4-C163 HydrophobicContact CE-CB 4.18Å; M4-C163 WeakPolarHBondContact CE-O 3.37Å; M4-C163 VanDerWaalsContact CE-SG 3.51Å; M4-W166 HydrophobicContact CE-CB 4.12Å; M4-W166 HydrophobicContact SD-CB 4.49Å; M4-L167 HydrophobicContact CB-CB 4.05Å; M4-L167 HydrophobicContact CB-CD1 4.01Å; M4-L167 HydrophobicContact CB-CD2 4.1Å; M4-L167 HydrophobicContact CB-CG 4.26Å; M4-L167 HydrophobicContact CE-CB 4.42Å; M4-Y170 HydrophobicContact SD-CD2 3.75Å; M4-Y170 HydrophobicContact SD-CE2 3.52Å; M4-Y170 VanDerWaalsContact SD-CE2 3.52Å
5R98.8Very high97.8Very high50 Ų5043.3 Ų43.319%0.18926%0.264CS..EExtended strand (participates in β ladder)trans-132.8138.3-177.7-58.4-62.9-178.378.35.8111.2F7 G25 Y26 Y98 D101 H112R5-F7 HydrophobicContact CB-CD2 4.39Å; R5-F7 HydrophobicContact CB-CE2 3.6Å; R5-F7 HydrophobicContact CB-CZ 3.88Å; R5-F7 HydrophobicContact CG-CZ 4.49Å; R5-G25 CarbonylContact O-C 3.59Å; R5-G25 WeakPolarHBondContact O-CA 3.43Å; R5-Y26 PolarHBondContact N-O 2.89Å; R5-Y26 PolarHBondContact O-N 2.97Å; R5-Y98 WeakPolarHBondContact CA-O 3.3Å; R5-D101 IonicContact CZ-OD1 2.72Å; R5-D101 IonicContact NE-OD1 3.56Å; R5-D101 PolarHBondContact NE-OD1 3.17Å; R5-D101 VanDerWaalsContact NH2-CG 3.35Å; R5-D101 IonicContact NH2-OD1 3.95Å; R5-D101 PolarHBondContact NH2-OD1 2.69Å; R5-D101 IonicContact NH2-OD2 3.69Å; R5-D101 PolarHBondContact NH2-OD2 3.35Å; R5-D101 VanDerWaalsContact NH2-OD2 3.14Å; R5-H112 PolarHBondContact NH2-NE2 3.39Å; R5-H112 VanDerWaalsContact NH2-NE2 3.14Å
6Y98.9Very high97.6Very high10 Ų1053.6 Ų53.64%0.03930%0.297CS..EExtended strand (participates in β ladder)trans-111.1133.5166.9-71-82.7000109.6M4 V24 F32 V33 M97 Y98M4-Y6 HydrophobicContact CE-CE2 4.37Å; M4-Y6 HydrophobicContact CG-CE2 4.41Å; M4-Y6 HydrophobicContact SD-CE2 4.28Å; Y6-V24 WeakPolarHBondContact CA-O 3.2Å; Y6-F32 HydrophobicContact CE1-CZ 4.04Å; Y6-F32 AromaticContact CZ-CZ 3.85Å; Y6-F32 WeakPolarHBondContact OH-CZ 3.31Å; Y6-V33 HydrophobicContact CE1-CG2 3.98Å; Y6-M97 WeakPolarHBondContact O-CA 3.32Å; Y6-Y98 VanDerWaalsContact CB-CZ 3.49Å; Y6-Y98 HydrophobicContact CD2-CD2 4.49Å; Y6-Y98 AromaticContact CD2-CE2 3.68Å; Y6-Y98 HydrophobicContact CD2-CE2 3.68Å; Y6-Y98 AromaticContact CD2-CZ 3.78Å; Y6-Y98 HydrophobicContact CG-CE1 4.37Å; Y6-Y98 HydrophobicContact CG-CE2 4.2Å; Y6-Y98 AromaticContact CG-CZ 3.83Å; Y6-Y98 PolarHBondContact N-O 3.01Å; Y6-Y98 PolarHBondContact O-N 3.32Å
7F98.9Very high97.4Very high81 Ų8153.9 Ų53.936%0.35532%0.315SS..EExtended strand (participates in β ladder)trans-116.5120.8177.5-58.9-92.8000109R5 T23 V24 Y26 S96 M97R5-F7 HydrophobicContact CB-CD2 4.39Å; R5-F7 HydrophobicContact CB-CE2 3.6Å; R5-F7 HydrophobicContact CB-CZ 3.88Å; R5-F7 HydrophobicContact CG-CZ 4.49Å; F7-T23 VanDerWaalsContact O-CA 3.29Å; F7-T23 WeakPolarHBondContact O-CA 3.23Å; F7-V24 HydrophobicContact CB-CG2 3.89Å; F7-V24 HydrophobicContact CD2-CG2 4.34Å; F7-V24 PolarHBondContact N-O 3.31Å; F7-V24 PolarHBondContact O-N 3.31Å; F7-Y26 AromaticContact CD2-CD2 3.99Å; F7-Y26 HydrophobicContact CD2-CD2 3.99Å; F7-Y26 AromaticContact CE2-CD2 3.99Å; F7-Y26 HydrophobicContact CE2-CD2 3.99Å; F7-Y26 HydrophobicContact CE2-CG 4.47Å; F7-S96 WeakPolarHBondContact CA-O 3.21Å; F7-M97 HydrophobicContact CD1-CB 4.03Å; F7-M97 HydrophobicContact CD1-CG 3.75Å; F7-M97 HydrophobicContact CE1-CB 4.13Å; F7-M97 HydrophobicContact CE1-CG 3.44Å; F7-M97 VanDerWaalsContact CE1-CG 3.44Å; F7-M97 HydrophobicContact CZ-CG 4.07Å
8H98.8Very high97.4Very high6 Ų655.5 Ų55.53%0.02832%0.319CS..EExtended strand (participates in β ladder)trans-109.1141.9177.2-61.3175000109.6F21 I22 T23 Y73 Q95 S96 Y98H8-F21 HydrophobicContact CB-CE2 3.92Å; H8-F21 HydrophobicContact CB-CZ 4.13Å; H8-F21 AromaticContact CG-CZ 3.88Å; H8-F21 AromaticContact ND1-CZ 3.98Å; H8-I22 WeakPolarHBondContact CA-O 3.11Å; H8-T23 WeakPolarHBondContact CD2-CB 3.32Å; H8-T23 PolarHBondContact CD2-OG1 3.1Å; H8-T23 PolarHBondContact NE2-OG1 2.97Å; H8-Y73 HydrophobicContact CB-CE1 3.94Å; H8-Y73 AromaticContact ND1-CE2 3.93Å; H8-Y73 AromaticContact ND1-CZ 3.74Å; H8-Y73 PolarHBondContact ND1-OH 3.44Å; H8-Q95 VanDerWaalsContact O-CA 3.26Å; H8-Q95 WeakPolarHBondContact O-CA 3.24Å; H8-S96 WeakPolarHBondContact CB-OG 3.47Å; H8-S96 PolarHBondContact N-O 3.15Å; H8-S96 PolarHBondContact O-N 3.15Å; H8-Y98 AromaticContact CE1-CE1 3.47Å; H8-Y98 VanDerWaalsContact CE1-CE1 3.47Å; H8-Y98 WeakPolarHBondContact CE1-CE1 3.48Å; H8-Y98 AromaticContact NE2-CE1 3.72Å
9T98.9Very high97.4Very high44 Ų4453.5 Ų53.527%0.2731%0.308SS..EExtended strand (participates in β ladder)trans-140.2123.1173.1-58.60000108.6V11 F21 I22 T93 Q95T9-V11 HydrophobicContact CG2-CG2 3.93Å; T9-F21 WeakPolarHBondContact O-CA 3.11Å; T9-I22 PolarHBondContact N-O 2.88Å; T9-I22 PolarHBondContact O-N 3.15Å; T9-T93 HydrophobicContact CG2-CG2 4.16Å; T9-Q95 HydrophobicContact CG2-CG 4.14Å
10S98.8Very high97.5Very high1 Ų155.2 Ų55.21%0.00731%0.309CS..EExtended strand (participates in β ladder)trans-118127.7170.5-164.80000110.2R20 L77 T93 L94S10-R20 CarbonylContact C-O 3.58Å; S10-R20 WeakPolarHBondContact CA-O 3.14Å; S10-R20 PolarHBondContact OG-O 3.16Å; S10-L77 WeakPolarHBondContact OG-CD1 3.44Å; S10-T93 CarbonylContact O-C 3.59Å; S10-T93 WeakPolarHBondContact O-CA 2.82Å; S10-L94 PolarHBondContact N-O 2.93Å; S10-L94 PolarHBondContact O-N 3.36Å
11V98.7Very high97.5Very high52 Ų5252.6 Ų52.632%0.31530%0.295SS..EExtended strand (participates in β ladder)trans-122.1115.5-178.1-173.50000108.8T9 P19 R20 H92 T93T9-V11 HydrophobicContact CG2-CG2 3.93Å; V11-P19 CarbonylContact O-C 3.56Å; V11-P19 WeakPolarHBondContact O-CA 3.41Å; V11-R20 PolarHBondContact N-O 3.31Å; V11-R20 PolarHBondContact O-N 2.8Å; V11-H92 WeakPolarHBondContact CA-O 3.14Å; V11-T93 HydrophobicContact CG2-CG2 4.25Å
12S98.3Very high97.7Very high17 Ų1750 Ų5012%0.11927%0.272CS..  trans-69.8149.3172.172.20000110.3S91 H92S12-S91 PolarHBondContact O-OG 2.79Å; S12-H92 PolarHBondContact N-O 3.17Å; S12-H92 PolarHBondContact OG-N 3.45Å; S12-H92 PolarHBondContact OG-O 2.68Å
13R96.9Very high97.7Very high75 Ų7547.9 Ų47.928%0.28326%0.263SS..  trans-143.671.2-179.150.6175.4175.5-163.9-6.8110.8G15 R16 E18 D38R13-G15 PolarHBondContact O-N 2.67Å; R13-R16 HydrophobicContact CB-CB 4.2Å; R13-R16 WeakPolarHBondContact CD-O 3.46Å; R13-R16 HydrophobicContact CG-CB 4.24Å; R13-R16 PolarHBondContact NE-O 2.81Å; R13-R16 PolarHBondContact O-N 2.73Å; R13-E18 PolarHBondContact NE-O 3.06Å; R13-E18 PolarHBondContact NH2-O 2.92Å; R13-E18 VanDerWaalsContact NH2-O 3.16Å; R13-D38 IonicContact CZ-OD1 3.6Å; R13-D38 IonicContact CZ-OD2 2.7Å; R13-D38 IonicContact NH1-OD1 3.7Å; R13-D38 IonicContact NH1-OD2 3.83Å; R13-D38 PolarHBondContact NH1-OD2 3.01Å; R13-D38 IonicContact NH2-OD1 3.56Å; R13-D38 PolarHBondContact NH2-OD1 2.97Å; R13-D38 IonicContact NH2-OD2 3.6Å; R13-D38 PolarHBondContact NH2-OD2 3.39Å
14P94.3Very high97.7Very high53 Ų5348.1 Ų48.134%0.34426%0.263SS..THydrogen-bonded Turntrans-49.1132.4-176.5-26.834.9000112.2R16 E88 G90P14-R16 VanDerWaalsContact C-N 3.26Å; P14-R16 PolarHBondContact O-N 2.93Å; P14-E88 WeakPolarHBondContact CB-O 3.16Å; P14-E88 WeakPolarHBondContact CG-O 3.44Å; P14-G90 VanDerWaalsContact CG-O 3.25Å; P14-G90 WeakPolarHBondContact CG-O 3.4Å
15G93.9Very high97.7Very high89 Ų8948.1 Ų48.192%0.91826%0.263SS*.THydrogen-bonded Turntrans76.8-0.3-176.600000115.8R13R13-G15 PolarHBondContact O-N 2.67Å
16R95.3Very high97.7Very high208 Ų20849.1 Ų49.179%0.78527%0.267SS*.SBendtrans-125.528.3178.4-51.6-172.8-156.8178.86.2113.2R13 P14R13-R16 HydrophobicContact CB-CB 4.2Å; R13-R16 WeakPolarHBondContact CD-O 3.46Å; R13-R16 HydrophobicContact CG-CB 4.24Å; R13-R16 PolarHBondContact NE-O 2.81Å; R13-R16 PolarHBondContact O-N 2.73Å; P14-R16 VanDerWaalsContact C-N 3.26Å; P14-R16 PolarHBondContact O-N 2.93Å
17G93.8Very high97.7Very high59 Ų5948.7 Ų48.761%0.60827%0.265SS*.SBendtrans92-164.4-178.900000113.7
18E96.6Very high97.7Very high82 Ų8246.3 Ų46.338%0.38326%0.256SS..SBendtrans-73.1159.3-177.2-68.9-66162.400112.6R13 R20 R74 R78R13-E18 PolarHBondContact NE-O 3.06Å; R13-E18 PolarHBondContact NH2-O 2.92Å; R13-E18 VanDerWaalsContact NH2-O 3.16Å; E18-R20 PolarHBondContact O-N 3.43Å; E18-R74 WeakPolarHBondContact OE2-CD 3.44Å; E18-R74 IonicContact OE2-CZ 3.14Å; E18-R74 IonicContact OE2-NE 3.57Å; E18-R74 PolarHBondContact OE2-NE 3.39Å; E18-R74 IonicContact OE2-NH1 3.72Å; E18-R74 IonicContact OE2-NH2 3.45Å; E18-R78 IonicContact OE1-NH2 3.8Å; E18-R78 IonicContact OE2-NH2 3.29Å
19P97.8Very high97.6Very high17 Ų1749 Ų4911%0.1127%0.271CS..PPolyproline II helixtrans-53.1133174.4-25.334.1000112V11 R74 L77V11-P19 CarbonylContact O-C 3.56Å; V11-P19 WeakPolarHBondContact O-CA 3.41Å; P19-R74 HydrophobicContact CG-CB 4.42Å; P19-R74 HydrophobicContact CG-CG 4.16Å; P19-L77 HydrophobicContact CB-CD1 3.72Å; P19-L77 HydrophobicContact CG-CD1 3.91Å
20R98.6Very high97.6Very high88 Ų8847.5 Ų47.533%0.33226%0.262SS..EExtended strand (participates in β ladder)trans-76.6133.8172.7-176.6-178.6-174.4176.9-0.1108.5S10 V11 E18 I22 D36 S37 D38S10-R20 CarbonylContact C-O 3.58Å; S10-R20 WeakPolarHBondContact CA-O 3.14Å; S10-R20 PolarHBondContact OG-O 3.16Å; V11-R20 PolarHBondContact N-O 3.31Å; V11-R20 PolarHBondContact O-N 2.8Å; E18-R20 PolarHBondContact O-N 3.43Å; R20-I22 HydrophobicContact CG-CG1 4.26Å; R20-D36 IonicContact CZ-OD1 3.93Å; R20-D36 IonicContact CZ-OD2 3.57Å; R20-D36 IonicContact NE-OD1 3.34Å; R20-D36 PolarHBondContact NE-OD1 3.48Å; R20-D36 IonicContact NE-OD2 2.68Å; R20-D36 IonicContact NH2-OD1 2.62Å; R20-D36 PolarHBondContact NH2-OD1 2.62Å; R20-D36 IonicContact NH2-OD2 3.14Å; R20-D36 PolarHBondContact NH2-OD2 2.9Å; R20-S37 WeakPolarHBondContact CA-OG 3.35Å; R20-D38 VanDerWaalsContact CD-OD2 3.24Å; R20-D38 WeakPolarHBondContact CD-OD2 3.35Å; R20-D38 HydrophobicContact CG-CB 4.32Å; R20-D38 IonicContact NE-OD2 3.94Å
21F98.8Very high97.6Very high0 Ų049.9 Ų49.90%027%0.274CS..EExtended strand (participates in β ladder)trans-116.2128.6175.2178.9-98.6000110.2H8 T9 T23 F35 S37 N69 T70 Y73H8-F21 HydrophobicContact CB-CE2 3.92Å; H8-F21 HydrophobicContact CB-CZ 4.13Å; H8-F21 AromaticContact CG-CZ 3.88Å; H8-F21 AromaticContact ND1-CZ 3.98Å; T9-F21 WeakPolarHBondContact O-CA 3.11Å; F21-T23 HydrophobicContact CE1-CG2 3.67Å; F21-T23 HydrophobicContact CZ-CG2 4.23Å; F21-F35 AromaticContact CD1-CD1 3.98Å; F21-F35 HydrophobicContact CD1-CD1 3.98Å; F21-F35 AromaticContact CD1-CE1 3.97Å; F21-F35 HydrophobicContact CD1-CE1 3.97Å; F21-F35 HydrophobicContact CE1-CD1 4.3Å; F21-S37 PolarHBondContact N-OG 3.34Å; F21-S37 PolarHBondContact O-N 3.22Å; F21-S37 PolarHBondContact O-OG 2.82Å; F21-N69 HydrophobicContact CE1-CB 4.06Å; F21-N69 HydrophobicContact CE2-CB 4.26Å; F21-N69 HydrophobicContact CZ-CB 3.67Å; F21-T70 HydrophobicContact CB-CG2 3.89Å; F21-T70 VanDerWaalsContact CD1-OG1 3.25Å; F21-T70 WeakPolarHBondContact CD1-OG1 3.4Å; F21-Y73 HydrophobicContact CD2-CD1 4.27Å; F21-Y73 HydrophobicContact CD2-CD2 4.36Å; F21-Y73 AromaticContact CD2-CG 3.97Å; F21-Y73 HydrophobicContact CD2-CG 3.97Å; F21-Y73 HydrophobicContact CE2-CD1 4.04Å; F21-Y73 AromaticContact CE2-CD2 3.79Å; F21-Y73 HydrophobicContact CE2-CD2 3.79Å; F21-Y73 HydrophobicContact CE2-CE1 4.29Å; F21-Y73 HydrophobicContact CE2-CE2 4.07Å; F21-Y73 AromaticContact CE2-CG 3.78Å; F21-Y73 HydrophobicContact CE2-CG 3.78Å
22I98.9Very high97.6Very high47 Ų4747.4 Ų47.424%0.24126%0.259CS..EExtended strand (participates in β ladder)trans-126.1134.2175.6-56.2175.3000107.6H8 T9 R20 F35H8-I22 WeakPolarHBondContact CA-O 3.11Å; T9-I22 PolarHBondContact N-O 2.88Å; T9-I22 PolarHBondContact O-N 3.15Å; R20-I22 HydrophobicContact CG-CG1 4.26Å; I22-F35 WeakPolarHBondContact CA-O 3.34Å
23T98.8Very high97.6Very high0 Ų046.6 Ų46.60%025%0.253CS..EExtended strand (participates in β ladder)trans-129.6136.8168.7168.80000110F7 H8 F21 R34 F35F7-T23 VanDerWaalsContact O-CA 3.29Å; F7-T23 WeakPolarHBondContact O-CA 3.23Å; H8-T23 WeakPolarHBondContact CD2-CB 3.32Å; H8-T23 PolarHBondContact CD2-OG1 3.1Å; H8-T23 PolarHBondContact NE2-OG1 2.97Å; F21-T23 HydrophobicContact CE1-CG2 3.67Å; F21-T23 HydrophobicContact CZ-CG2 4.23Å; T23-R34 CarbonylContact O-C 3.53Å; T23-R34 WeakPolarHBondContact O-CA 3.44Å; T23-F35 HydrophobicContact CG2-CB 3.6Å; T23-F35 HydrophobicContact CG2-CD1 4.24Å; T23-F35 HydrophobicContact CG2-CG 4.26Å; T23-F35 PolarHBondContact N-O 3.12Å; T23-F35 PolarHBondContact O-N 3.5Å
24V98.9Very high97.7Very high31 Ų3147.1 Ų47.119%0.18826%0.255CS..EExtended strand (participates in β ladder)trans-127.9144172.9-67.70000109.8Y6 F7 Y26 L31 V33 R34Y6-V24 WeakPolarHBondContact CA-O 3.2Å; F7-V24 HydrophobicContact CB-CG2 3.89Å; F7-V24 HydrophobicContact CD2-CG2 4.34Å; F7-V24 PolarHBondContact N-O 3.31Å; F7-V24 PolarHBondContact O-N 3.31Å; V24-Y26 HydrophobicContact CB-CE2 4.13Å; V24-Y26 HydrophobicContact CG2-CD2 4.32Å; V24-Y26 HydrophobicContact CG2-CE2 3.82Å; V24-L31 HydrophobicContact CB-CD1 3.7Å; V24-L31 HydrophobicContact CG1-CD1 4.01Å; V24-V33 WeakPolarHBondContact CA-O 3.46Å; V24-R34 HydrophobicContact CG1-CB 4.24Å; V24-R34 HydrophobicContact CG1-CG 4.12Å
25G98.8Very high98Very high0 Ų044.8 Ų44.80%024%0.24CC..EExtended strand (participates in β ladder)trans-116.2136.8176.400000110.7R5 F32 V33R5-G25 CarbonylContact O-C 3.59Å; R5-G25 WeakPolarHBondContact O-CA 3.43Å; G25-F32 WeakPolarHBondContact O-CD1 3.44Å; G25-F32 PolarHBondContact O-N 2.97Å; G25-V33 PolarHBondContact N-O 2.93Å
26Y98.9Very high98.2Very high72 Ų7241.3 Ų41.328%0.28220%0.2SC..EExtended strand (participates in β ladder)trans-123.6142.8178-78.6-101.3000110.8M4 R5 F7 V24 T30 L31M4-Y26 CarbonylContact C-O 3.55Å; M4-Y26 WeakPolarHBondContact CA-O 3.47Å; R5-Y26 PolarHBondContact N-O 2.89Å; R5-Y26 PolarHBondContact O-N 2.97Å; F7-Y26 AromaticContact CD2-CD2 3.99Å; F7-Y26 HydrophobicContact CD2-CD2 3.99Å; F7-Y26 AromaticContact CE2-CD2 3.99Å; F7-Y26 HydrophobicContact CE2-CD2 3.99Å; F7-Y26 HydrophobicContact CE2-CG 4.47Å; V24-Y26 HydrophobicContact CB-CE2 4.13Å; V24-Y26 HydrophobicContact CG2-CD2 4.32Å; V24-Y26 HydrophobicContact CG2-CE2 3.82Å; Y26-T30 WeakPolarHBondContact CA-O 3.41Å; Y26-T30 VanDerWaalsContact CD1-C 3.49Å; Y26-L31 HydrophobicContact CD1-CB 4.24Å; Y26-L31 HydrophobicContact CD2-CD1 4.09Å; Y26-L31 HydrophobicContact CE1-CB 3.68Å; Y26-L31 HydrophobicContact CE1-CD1 4.48Å; Y26-L31 HydrophobicContact CE2-CB 4.29Å; Y26-L31 HydrophobicContact CE2-CD1 3.52Å; Y26-L31 HydrophobicContact CE2-CG 4.49Å
27V98.8Very high98.3Very high0 Ų032.7 Ų32.70%017%0.172CC..EExtended strand (participates in β ladder)trans-111.3117.7156.3177.30000106.3S3 M4 D29 T30 F32 W50 L167 Y170 L171 L178S3-V27 CarbonylContact O-C 3.59Å; S3-V27 VanDerWaalsContact O-CA 3.31Å; S3-V27 WeakPolarHBondContact O-CA 3.34Å; M4-V27 HydrophobicContact CG-CG2 4.36Å; V27-D29 PolarHBondContact O-N 2.79Å; V27-T30 PolarHBondContact N-O 3.12Å; V27-T30 WeakPolarHBondContact O-CB 3.21Å; V27-T30 PolarHBondContact O-N 3.23Å; V27-F32 HydrophobicContact CG2-CD1 4.08Å; V27-F32 HydrophobicContact CG2-CE1 4.14Å; V27-W50 HydrophobicContact CB-CH2 4.48Å; V27-W50 HydrophobicContact CB-CZ2 4.48Å; V27-W50 HydrophobicContact CG2-CH2 3.88Å; V27-W50 HydrophobicContact CG2-CZ2 4.36Å; V27-L167 HydrophobicContact CG1-CD1 3.61Å; V27-L167 HydrophobicContact CG2-CD1 4.25Å; V27-Y170 HydrophobicContact CG2-CD2 3.99Å; V27-L171 HydrophobicContact CG1-CD2 4.1Å; V27-L178 HydrophobicContact CB-CD1 4.31Å; V27-L178 HydrophobicContact CB-CD2 4.18Å; V27-L178 HydrophobicContact CG1-CD1 3.94Å; V27-L178 HydrophobicContact CG1-CD2 4.1Å
28D98.5Very high98.6Very high32 Ų3233 Ų3317%0.17116%0.159CC..THydrogen-bonded Turntrans47.9-126-165.7-51.8-41.4000110.6H2 S3 T30H2-D28 VanDerWaalsContact CA-OD1 3.22Å; H2-D28 WeakPolarHBondContact CA-OD1 3.39Å; H2-D28 IonicContact CE1-OD2 3.55Å; H2-D28 IonicContact CG-OD2 3.48Å; H2-D28 IonicContact ND1-OD1 2.75Å; H2-D28 IonicContact ND1-OD2 3.4Å; H2-D28 PolarHBondContact ND1-OD2 2.84Å; S3-D28 PolarHBondContact N-OD1 3.14Å; S3-D28 PolarHBondContact O-N 3.28Å; S3-D28 PolarHBondContact OG-OD1 2.9Å; D28-T30 VanDerWaalsContact C-N 3.31Å; D28-T30 PolarHBondContact O-N 2.67Å
29D98.4Very high98.6Very high61 Ų6130.7 Ų30.733%0.32616%0.155SC..THydrogen-bonded Turntrans-90.411.5178.3-63.3-50.7000113.8V27 Y208 P209 A210 F240V27-D29 PolarHBondContact O-N 2.79Å; D29-Y208 HydrophobicContact CB-CE2 3.82Å; D29-P209 WeakPolarHBondContact OD2-CB 3.35Å; D29-A210 WeakPolarHBondContact OD2-CB 3.4Å; D29-A210 PolarHBondContact OD2-N 3.16Å; D29-F240 HydrophobicContact CB-CE2 3.8Å; D29-F240 HydrophobicContact CB-CZ 3.79Å
30T98.6Very high98.5Very high13 Ų1337.4 Ų37.48%0.0820%0.196CC..EExtended strand (participates in β ladder)trans-104.8111.9-177.3-58.70000111.8Y26 V27 D28 F32 L178 Y208 R238Y26-T30 WeakPolarHBondContact CA-O 3.41Å; Y26-T30 VanDerWaalsContact CD1-C 3.49Å; V27-T30 PolarHBondContact N-O 3.12Å; V27-T30 WeakPolarHBondContact O-CB 3.21Å; V27-T30 PolarHBondContact O-N 3.23Å; D28-T30 VanDerWaalsContact C-N 3.31Å; D28-T30 PolarHBondContact O-N 2.67Å; T30-F32 PolarHBondContact O-N 2.87Å; T30-L178 HydrophobicContact CG2-CD2 4.05Å; T30-Y208 WeakPolarHBondContact OG1-CE2 3.46Å; T30-Y208 PolarHBondContact OG1-OH 2.99Å; T30-R238 PolarHBondContact OG1-NE 2.8Å
31L98.6Very high98.5Very high51 Ų5136.9 Ų36.927%0.26721%0.205SC..EExtended strand (participates in β ladder)trans-64.6126.2171.4177.670.4000109.9V24 Y26 R47V24-L31 HydrophobicContact CB-CD1 3.7Å; V24-L31 HydrophobicContact CG1-CD1 4.01Å; Y26-L31 HydrophobicContact CD1-CB 4.24Å; Y26-L31 HydrophobicContact CD2-CD1 4.09Å; Y26-L31 HydrophobicContact CE1-CB 3.68Å; Y26-L31 HydrophobicContact CE1-CD1 4.48Å; Y26-L31 HydrophobicContact CE2-CB 4.29Å; Y26-L31 HydrophobicContact CE2-CD1 3.52Å; Y26-L31 HydrophobicContact CE2-CG 4.49Å; L31-R47 HydrophobicContact CD2-CB 3.93Å; L31-R47 HydrophobicContact CD2-CG 3.89Å; L31-R47 HydrophobicContact CG-CB 3.78Å; L31-R47 HydrophobicContact CG-CG 4.1Å
32F98.8Very high98.4Very high0 Ų038.5 Ų38.50%022%0.216CC..EExtended strand (participates in β ladder)trans-121.2-23.5-179.678.1-85000114.7M4 Y6 G25 V27 T30 R47 A48 W50 I51 Y170M4-F32 HydrophobicContact CG-CE1 4.49Å; M4-F32 HydrophobicContact SD-CZ 4.39Å; Y6-F32 HydrophobicContact CE1-CZ 4.04Å; Y6-F32 AromaticContact CZ-CZ 3.85Å; Y6-F32 WeakPolarHBondContact OH-CZ 3.31Å; G25-F32 WeakPolarHBondContact O-CD1 3.44Å; G25-F32 PolarHBondContact O-N 2.97Å; V27-F32 HydrophobicContact CG2-CD1 4.08Å; V27-F32 HydrophobicContact CG2-CE1 4.14Å; T30-F32 PolarHBondContact O-N 2.87Å; F32-R47 PolarHBondContact O-N 2.83Å; F32-A48 HydrophobicContact CB-CB 4.02Å; F32-W50 HydrophobicContact CB-CH2 3.17Å; F32-W50 HydrophobicContact CB-CZ2 3.32Å; F32-W50 HydrophobicContact CB-CZ3 4.03Å; F32-W50 HydrophobicContact CD1-CH2 4.01Å; F32-W50 AromaticContact CD2-CH2 3.68Å; F32-W50 HydrophobicContact CD2-CH2 3.68Å; F32-W50 AromaticContact CD2-CZ3 3.98Å; F32-W50 HydrophobicContact CD2-CZ3 3.98Å; F32-W50 AromaticContact CG-CH2 3.37Å; F32-W50 HydrophobicContact CG-CH2 3.37Å; F32-W50 HydrophobicContact CG-CZ2 4.02Å; F32-W50 HydrophobicContact CG-CZ3 4.14Å; F32-I51 HydrophobicContact CD2-CB 4.36Å; F32-I51 HydrophobicContact CD2-CD1 4.04Å; F32-I51 HydrophobicContact CD2-CG1 4.02Å; F32-I51 HydrophobicContact CE2-CD1 4.27Å; F32-I51 WeakPolarHBondContact O-CG2 3.45Å; F32-Y170 HydrophobicContact CE2-CD2 4.44Å; F32-Y170 AromaticContact CE2-CE2 3.83Å; F32-Y170 HydrophobicContact CE2-CE2 3.83Å; F32-Y170 HydrophobicContact CZ-CD2 4.45Å; F32-Y170 AromaticContact CZ-CE2 3.9Å; F32-Y170 HydrophobicContact CZ-CE2 3.9Å
33V98.8Very high98.4Very high0 Ų042.6 Ų42.60%023%0.228CC..EExtended strand (participates in β ladder)trans-144.3151.2177.3-74.30000112.7Y6 V24 G25 K44 E45 I51 W59Y6-V33 HydrophobicContact CE1-CG2 3.98Å; V24-V33 WeakPolarHBondContact CA-O 3.46Å; G25-V33 PolarHBondContact N-O 2.93Å; V33-K44 HydrophobicContact CB-CD 4.22Å; V33-K44 HydrophobicContact CB-CG 4.23Å; V33-K44 HydrophobicContact CG1-CG 4.31Å; V33-K44 VanDerWaalsContact CG2-CE 3.48Å; V33-E45 VanDerWaalsContact CA-O 3.29Å; V33-E45 WeakPolarHBondContact CA-O 3.36Å; V33-I51 HydrophobicContact CG1-CG1 4.33Å; V33-W59 HydrophobicContact CG1-CH2 4.04Å; V33-W59 HydrophobicContact CG1-CZ3 3.87Å
34R98.8Very high98.4Very high87 Ų8743 Ų4333%0.32823%0.23SC..EExtended strand (participates in β ladder)trans-138.6149.4172.1176.6173.5170.4171.7-2.7111.2T23 V24 D36 K44 E45 R47T23-R34 CarbonylContact O-C 3.53Å; T23-R34 WeakPolarHBondContact O-CA 3.44Å; V24-R34 HydrophobicContact CG1-CB 4.24Å; V24-R34 HydrophobicContact CG1-CG 4.12Å; R34-D36 IonicContact CZ-OD2 3.71Å; R34-D36 IonicContact NH2-OD2 3.78Å; R34-D36 PolarHBondContact NH2-OD2 3.03Å; R34-K44 WeakPolarHBondContact O-CA 3.5Å; R34-E45 PolarHBondContact N-O 2.89Å; R34-E45 PolarHBondContact O-N 2.9Å; R34-R47 HydrophobicContact CB-CG 4.14Å
35F98.9Very high98.4Very high3 Ų344.9 Ų44.91%0.01324%0.237CC..EExtended strand (participates in β ladder)trans-137.2144.3162.1170.2-77.2000108.9F21 I22 T23 P42 R43 K44 S66 K67F21-F35 AromaticContact CD1-CD1 3.98Å; F21-F35 HydrophobicContact CD1-CD1 3.98Å; F21-F35 AromaticContact CD1-CE1 3.97Å; F21-F35 HydrophobicContact CD1-CE1 3.97Å; F21-F35 HydrophobicContact CE1-CD1 4.3Å; I22-F35 WeakPolarHBondContact CA-O 3.34Å; T23-F35 HydrophobicContact CG2-CB 3.6Å; T23-F35 HydrophobicContact CG2-CD1 4.24Å; T23-F35 HydrophobicContact CG2-CG 4.26Å; T23-F35 PolarHBondContact N-O 3.12Å; T23-F35 PolarHBondContact O-N 3.5Å; F35-P42 HydrophobicContact CE1-CB 4.48Å; F35-P42 HydrophobicContact CE2-CB 3.7Å; F35-P42 HydrophobicContact CZ-CB 3.63Å; F35-R43 VanDerWaalsContact CD2-C 3.46Å; F35-R43 WeakPolarHBondContact CD2-O 2.93Å; F35-K44 HydrophobicContact CB-CD 4.02Å; F35-S66 VanDerWaalsContact CD2-CB 3.42Å; F35-S66 VanDerWaalsContact CG-CB 3.48Å; F35-K67 HydrophobicContact CE2-CG 4.15Å; F35-K67 HydrophobicContact CZ-CG 4.08Å
36D98.8Very high98.4Very high16 Ų1647.1 Ų47.19%0.08625%0.251CS..EExtended strand (participates in β ladder)trans-139.2119.5179.5-164-27.4000109.4R20 R34 D38 A39R20-D36 IonicContact CZ-OD1 3.93Å; R20-D36 IonicContact CZ-OD2 3.57Å; R20-D36 IonicContact NE-OD1 3.34Å; R20-D36 PolarHBondContact NE-OD1 3.48Å; R20-D36 IonicContact NE-OD2 2.68Å; R20-D36 IonicContact NH2-OD1 2.62Å; R20-D36 PolarHBondContact NH2-OD1 2.62Å; R20-D36 IonicContact NH2-OD2 3.14Å; R20-D36 PolarHBondContact NH2-OD2 2.9Å; R34-D36 IonicContact CZ-OD2 3.71Å; R34-D36 IonicContact NH2-OD2 3.78Å; R34-D36 PolarHBondContact NH2-OD2 3.03Å; D36-D38 PolarHBondContact O-N 2.85Å; D36-D38 PolarHBondContact OD1-N 3.01Å; D36-A39 WeakPolarHBondContact O-CB 3.02Å; D36-A39 PolarHBondContact O-N 2.88Å
37S98.6Very high98.4Very high27 Ų2748.8 Ų48.819%0.18926%0.257CS..THydrogen-bonded Turntrans-66.2-20.2-177.968.90000113.4R20 F21 P42R20-S37 WeakPolarHBondContact CA-OG 3.35Å; F21-S37 PolarHBondContact N-OG 3.34Å; F21-S37 PolarHBondContact O-N 3.22Å; F21-S37 PolarHBondContact O-OG 2.82Å; S37-P42 WeakPolarHBondContact O-CG 3.13Å
38D98.1Very high98.3Very high65 Ų6549 Ų4935%0.34826%0.259SS..THydrogen-bonded Turntrans-88.4-3179.8-79.18000113R13 R20 D36R13-D38 IonicContact CZ-OD1 3.6Å; R13-D38 IonicContact CZ-OD2 2.7Å; R13-D38 IonicContact NH1-OD1 3.7Å; R13-D38 IonicContact NH1-OD2 3.83Å; R13-D38 PolarHBondContact NH1-OD2 3.01Å; R13-D38 IonicContact NH2-OD1 3.56Å; R13-D38 PolarHBondContact NH2-OD1 2.97Å; R13-D38 IonicContact NH2-OD2 3.6Å; R13-D38 PolarHBondContact NH2-OD2 3.39Å; R20-D38 VanDerWaalsContact CD-OD2 3.24Å; R20-D38 WeakPolarHBondContact CD-OD2 3.35Å; R20-D38 HydrophobicContact CG-CB 4.32Å; R20-D38 IonicContact NE-OD2 3.94Å; D36-D38 PolarHBondContact O-N 2.85Å; D36-D38 PolarHBondContact OD1-N 3.01Å
39A97.5Very high98.3Very high35 Ų3552.6 Ų52.629%0.28928%0.284SS..SBendtrans-63.4149.6173.200000110.9D36 S41 P42D36-A39 WeakPolarHBondContact O-CB 3.02Å; D36-A39 PolarHBondContact O-N 2.88Å; A39-S41 PolarHBondContact O-N 3.31Å; A39-S41 VanDerWaalsContact O-N 3.17Å; A39-P42 WeakPolarHBondContact O-CD 3.3Å; A39-P42 VanDerWaalsContact O-CG 3.27Å; A39-P42 WeakPolarHBondContact O-CG 3.21Å
40T96.8Very high98.2Very high158 Ų15850.6 Ų50.697%0.96927%0.272SS*.SBendtrans-57-33.8178.6-49.80000112.6
41S97.2Very high98.2Very high76 Ų7650 Ų5053%0.53127%0.268SS..SBendtrans-135.285.3174.4-173.20000109A39 R43A39-S41 PolarHBondContact O-N 3.31Å; A39-S41 VanDerWaalsContact O-N 3.17Å; S41-R43 PolarHBondContact O-N 2.83Å; S41-R43 VanDerWaalsContact O-N 3.1Å
42P97.9Very high98.2Very high34 Ų3453.5 Ų53.522%0.22128%0.283CS..  trans-62114.7-173.7-24.835.6000112F35 S37 A39 K67F35-P42 HydrophobicContact CE1-CB 4.48Å; F35-P42 HydrophobicContact CE2-CB 3.7Å; F35-P42 HydrophobicContact CZ-CB 3.63Å; S37-P42 WeakPolarHBondContact O-CG 3.13Å; A39-P42 WeakPolarHBondContact O-CD 3.3Å; A39-P42 VanDerWaalsContact O-CG 3.27Å; A39-P42 WeakPolarHBondContact O-CG 3.21Å; P42-K67 WeakPolarHBondContact O-CE 3.25Å
43R98.4Very high98.1Very high133 Ų13359.3 Ų59.350%0.50231%0.31SS..  trans-138.8157.8176.9-68.2-171.9176-129.20.7110.4F35 S41 E45 T63F35-R43 VanDerWaalsContact CD2-C 3.46Å; F35-R43 WeakPolarHBondContact CD2-O 2.93Å; S41-R43 PolarHBondContact O-N 2.83Å; S41-R43 VanDerWaalsContact O-N 3.1Å; R43-E45 PolarHBondContact O-N 2.91Å; R43-T63 HydrophobicContact CB-CG2 4.39Å; R43-T63 HydrophobicContact CG-CG2 4.24Å
44K98.6Very high98.1Very high10 Ų1060 Ų604%0.04331%0.313CS..  trans-73.2121.7167.1-163.475.7155.4-177.10106.9V33 R34 F35 W59 E62 T63V33-K44 HydrophobicContact CB-CD 4.22Å; V33-K44 HydrophobicContact CB-CG 4.23Å; V33-K44 HydrophobicContact CG1-CG 4.31Å; V33-K44 VanDerWaalsContact CG2-CE 3.48Å; R34-K44 WeakPolarHBondContact O-CA 3.5Å; F35-K44 HydrophobicContact CB-CD 4.02Å; K44-W59 HydrophobicContact CB-CE3 4.28Å; K44-W59 HydrophobicContact CG-CE3 4.39Å; K44-W59 HydrophobicContact CG-CZ3 4.23Å; K44-E62 HydrophobicContact CB-CB 3.98Å; K44-E62 HydrophobicContact CD-CB 4.47Å; K44-E62 HydrophobicContact CG-CB 3.83Å; K44-T63 PolarHBondContact N-OG1 2.84Å
45E98.5Very high98Very high70 Ų7057.1 Ų57.133%0.32731%0.311SS..EExtended strand (participates in β ladder)trans-113.8140.7-174-64.8178.1174.300110.5V33 R34 R43 R47V33-E45 VanDerWaalsContact CA-O 3.29Å; V33-E45 WeakPolarHBondContact CA-O 3.36Å; R34-E45 PolarHBondContact N-O 2.89Å; R34-E45 PolarHBondContact O-N 2.9Å; R43-E45 PolarHBondContact O-N 2.91Å; E45-R47 IonicContact OE2-CZ 3.68Å; E45-R47 IonicContact OE2-NH1 3.83Å; E45-R47 PolarHBondContact OE2-NH1 3Å; E45-R47 VanDerWaalsContact OE2-NH1 3.14Å; E45-R47 IonicContact OE2-NH2 2.8Å; E45-R47 PolarHBondContact OE2-NH2 2.02Å
46P98.6Very high98Very high46 Ų4661 Ų6130%0.29934%0.337SS..EExtended strand (participates in β ladder)trans-67.1148.6173.128.9-34.4000111.2I51 E52 W59P46-I51 HydrophobicContact CB-CG2 3.73Å; P46-E52 HydrophobicContact CB-CG 3.82Å; P46-E52 HydrophobicContact CG-CG 4.13Å; P46-W59 HydrophobicContact CB-CH2 3.64Å; P46-W59 HydrophobicContact CB-CZ2 4.01Å; P46-W59 HydrophobicContact CB-CZ3 4.49Å; P46-W59 HydrophobicContact CG-CH2 4.25Å; P46-W59 HydrophobicContact CG-CZ2 4.41Å
47R98.4Very high97.9Very high108 Ų10867.1 Ų67.141%0.40837%0.365SS..  trans-135.1-0.1174.2-66-64.6-176.8-102.52.2113.5L31 F32 R34 E45L31-R47 HydrophobicContact CD2-CB 3.93Å; L31-R47 HydrophobicContact CD2-CG 3.89Å; L31-R47 HydrophobicContact CG-CB 3.78Å; L31-R47 HydrophobicContact CG-CG 4.1Å; F32-R47 PolarHBondContact O-N 2.83Å; R34-R47 HydrophobicContact CB-CG 4.14Å; E45-R47 IonicContact OE2-CZ 3.68Å; E45-R47 IonicContact OE2-NH1 3.83Å; E45-R47 PolarHBondContact OE2-NH1 3Å; E45-R47 VanDerWaalsContact OE2-NH1 3.14Å; E45-R47 IonicContact OE2-NH2 2.8Å; E45-R47 PolarHBondContact OE2-NH2 2.02Å
48A97.7Very high97.9Very high5 Ų566.5 Ų66.54%0.04136%0.358CS..SBendtrans-136.2144.4172.500000110.5F32 W50 I51F32-A48 HydrophobicContact CB-CB 4.02Å; A48-W50 VanDerWaalsContact C-N 3.29Å; A48-W50 HydrophobicContact CB-CD2 4.21Å; A48-W50 HydrophobicContact CB-CG 4.41Å; A48-W50 HydrophobicContact CB-CZ2 4.01Å; A48-W50 PolarHBondContact O-N 2.84Å; A48-I51 WeakPolarHBondContact O-CG2 3.19Å; A48-I51 PolarHBondContact O-N 2.96Å
49P97.8Very high98Very high107 Ų10765.2 Ų65.270%0.69535%0.349SS*.G310 helixtrans-59.4-37.3-176.5-26.434.8000113.9I51 E52P49-I51 PolarHBondContact O-N 2.87Å; P49-E52 WeakPolarHBondContact O-CB 3.36Å; P49-E52 PolarHBondContact O-N 3.45Å; P49-E52 VanDerWaalsContact O-N 3.13Å
50W97.9Very high98Very high19 Ų1967.9 Ų67.97%0.07236%0.358CS..G310 helixtrans-70.2-13.7-175.353.5-106.1000114.4V27 F32 A48 Q53 Y170 N173 L178V27-W50 HydrophobicContact CB-CH2 4.48Å; V27-W50 HydrophobicContact CB-CZ2 4.48Å; V27-W50 HydrophobicContact CG2-CH2 3.88Å; V27-W50 HydrophobicContact CG2-CZ2 4.36Å; F32-W50 HydrophobicContact CB-CH2 3.17Å; F32-W50 HydrophobicContact CB-CZ2 3.32Å; F32-W50 HydrophobicContact CB-CZ3 4.03Å; F32-W50 HydrophobicContact CD1-CH2 4.01Å; F32-W50 AromaticContact CD2-CH2 3.68Å; F32-W50 HydrophobicContact CD2-CH2 3.68Å; F32-W50 AromaticContact CD2-CZ3 3.98Å; F32-W50 HydrophobicContact CD2-CZ3 3.98Å; F32-W50 AromaticContact CG-CH2 3.37Å; F32-W50 HydrophobicContact CG-CH2 3.37Å; F32-W50 HydrophobicContact CG-CZ2 4.02Å; F32-W50 HydrophobicContact CG-CZ3 4.14Å; A48-W50 VanDerWaalsContact C-N 3.29Å; A48-W50 HydrophobicContact CB-CD2 4.21Å; A48-W50 HydrophobicContact CB-CG 4.41Å; A48-W50 HydrophobicContact CB-CZ2 4.01Å; A48-W50 PolarHBondContact O-N 2.84Å; W50-Q53 WeakPolarHBondContact O-CG 3.48Å; W50-Y170 HydrophobicContact CE3-CD1 4.3Å; W50-Y170 HydrophobicContact CE3-CG 4.45Å; W50-Y170 HydrophobicContact CH2-CD2 4.43Å; W50-Y170 HydrophobicContact CH2-CG 4.11Å; W50-Y170 AromaticContact CZ3-CD1 3.65Å; W50-Y170 HydrophobicContact CZ3-CD1 3.65Å; W50-Y170 HydrophobicContact CZ3-CD2 4.22Å; W50-Y170 HydrophobicContact CZ3-CE1 4.39Å; W50-Y170 AromaticContact CZ3-CG 3.56Å; W50-Y170 HydrophobicContact CZ3-CG 3.56Å; W50-N173 HydrophobicContact CB-CB 4.41Å; W50-L178 HydrophobicContact CD2-CD1 4.39Å; W50-L178 HydrophobicContact CH2-CD1 4.42Å; W50-L178 HydrophobicContact CZ2-CD1 3.85Å; W50-L178 HydrophobicContact CZ2-CD2 4.24Å; W50-L178 HydrophobicContact CZ2-CG 4.48Å
51I98.4Very high98.1Very high0 Ų065.3 Ų65.30%033%0.33CS..G310 helixtrans-90-19.1173.7-16371.8000111.9F32 V33 P46 A48 P49 Q53 E54 Y58 W59 Y170F32-I51 HydrophobicContact CD2-CB 4.36Å; F32-I51 HydrophobicContact CD2-CD1 4.04Å; F32-I51 HydrophobicContact CD2-CG1 4.02Å; F32-I51 HydrophobicContact CE2-CD1 4.27Å; F32-I51 WeakPolarHBondContact O-CG2 3.45Å; V33-I51 HydrophobicContact CG1-CG1 4.33Å; P46-I51 HydrophobicContact CB-CG2 3.73Å; A48-I51 WeakPolarHBondContact O-CG2 3.19Å; A48-I51 PolarHBondContact O-N 2.96Å; P49-I51 PolarHBondContact O-N 2.87Å; I51-Q53 PolarHBondContact O-N 2.8Å; I51-Q53 VanDerWaalsContact O-N 3.14Å; I51-E54 HydrophobicContact CD1-CG 3.63Å; I51-E54 HydrophobicContact CG1-CG 4.16Å; I51-E54 WeakPolarHBondContact O-CB 3.42Å; I51-E54 WeakPolarHBondContact O-CG 3.4Å; I51-E54 PolarHBondContact O-N 3.16Å; I51-Y58 HydrophobicContact CD1-CE1 4.26Å; I51-Y58 HydrophobicContact CG1-CE1 4.25Å; I51-W59 HydrophobicContact CB-CH2 4.45Å; I51-W59 HydrophobicContact CG1-CH2 3.76Å; I51-W59 HydrophobicContact CG1-CZ2 4.04Å; I51-W59 HydrophobicContact CG2-CH2 3.96Å; I51-W59 HydrophobicContact CG2-CZ2 4.36Å; I51-W59 WeakPolarHBondContact O-CZ2 3.32Å; I51-Y170 HydrophobicContact CD1-CD1 3.84Å; I51-Y170 HydrophobicContact CD1-CE1 3.26Å
52E97.6Very high98.2Very high125 Ų12562.6 Ų62.658%0.58431%0.309SS*.THydrogen-bonded Turntrans-64.1-22-176.4-64.9179.9-173.700113.4P46 P49 E54P46-E52 HydrophobicContact CB-CG 3.82Å; P46-E52 HydrophobicContact CG-CG 4.13Å; P49-E52 WeakPolarHBondContact O-CB 3.36Å; P49-E52 PolarHBondContact O-N 3.45Å; P49-E52 VanDerWaalsContact O-N 3.13Å; E52-E54 PolarHBondContact O-N 3.33Å
53Q96.8Very high98.2Very high121 Ų12161.4 Ų61.457%0.56530%0.301SS*.THydrogen-bonded Turntrans-73.9-10.9175.766.6177.95.800114.2W50 I51 N173W50-Q53 WeakPolarHBondContact O-CG 3.48Å; I51-Q53 PolarHBondContact O-N 2.8Å; I51-Q53 VanDerWaalsContact O-N 3.14Å; Q53-N173 VanDerWaalsContact NE2-CB 3.26Å; Q53-N173 PolarHBondContact NE2-ND2 3.36Å; Q53-N173 PolarHBondContact NE2-OD1 2.98Å; Q53-N173 VanDerWaalsContact NE2-OD1 3.13Å
54E98.1Very high98.2Very high15 Ų1560.4 Ų60.47%0.0730%0.302CS..SBendtrans-66.3138.2175-63.5-59.216100110.7I51 E52 Y58 W59 R169 N173I51-E54 HydrophobicContact CD1-CG 3.63Å; I51-E54 HydrophobicContact CG1-CG 4.16Å; I51-E54 WeakPolarHBondContact O-CB 3.42Å; I51-E54 WeakPolarHBondContact O-CG 3.4Å; I51-E54 PolarHBondContact O-N 3.16Å; E52-E54 PolarHBondContact O-N 3.33Å; E54-Y58 HydrophobicContact CB-CD1 3.74Å; E54-Y58 HydrophobicContact CB-CD2 4.41Å; E54-Y58 HydrophobicContact CB-CE1 4.36Å; E54-Y58 HydrophobicContact CB-CG 3.78Å; E54-Y58 HydrophobicContact CG-CD1 4.23Å; E54-Y58 HydrophobicContact CG-CD2 4.38Å; E54-Y58 HydrophobicContact CG-CE1 4.44Å; E54-Y58 HydrophobicContact CG-CG 4.21Å; E54-W59 PolarHBondContact O-NE1 2.91Å; E54-R169 IonicContact OE1-CZ 2.93Å; E54-R169 IonicContact OE1-NE 2.85Å; E54-R169 PolarHBondContact OE1-NE 3.36Å; E54-R169 IonicContact OE1-NH2 2.9Å; E54-R169 PolarHBondContact OE1-NH2 3.48Å; E54-R169 VanDerWaalsContact OE1-NH2 3.16Å; E54-R169 IonicContact OE2-CZ 3.72Å; E54-R169 IonicContact OE2-NE 3.87Å; E54-R169 PolarHBondContact OE2-NE 2.9Å; E54-R169 IonicContact OE2-NH2 3.71Å; E54-R169 PolarHBondContact OE2-NH2 3.12Å; E54-N173 PolarHBondContact OE1-ND2 2.74Å
55G97.9Very high98.2Very high27 Ų2763.1 Ų63.128%0.27832%0.317SS..  trans-68.2167.7-17500000114.2E57 Y58 W59G55-E57 PolarHBondContact O-N 3.03Å; G55-Y58 WeakPolarHBondContact O-CB 3.34Å; G55-Y58 PolarHBondContact O-N 2.79Å; G55-Y58 VanDerWaalsContact O-N 3.09Å; G55-W59 VanDerWaalsContact O-CD1 3.25Å; G55-W59 PolarHBondContact O-N 3.36Å
56P98Very high98.2Very high85 Ų8559.9 Ų59.955%0.55230%0.302SS*.Hα-helixtrans-57.5-32.5-179.824.2-33.4000113Y58 W59 D60P56-Y58 VanDerWaalsContact C-N 3.28Å; P56-Y58 PolarHBondContact O-N 3.46Å; P56-W59 PolarHBondContact O-N 3.02Å; P56-D60 WeakPolarHBondContact O-CB 3.44Å; P56-D60 PolarHBondContact O-N 2.97Å
57E98.2Very high98.2Very high144 Ų14462.1 Ų62.167%0.67331%0.307SS*.Hα-helixtrans-62.4-35.9178.7-5981.1-176.400112.2G55 R61G55-E57 PolarHBondContact O-N 3.03Å; E57-R61 WeakPolarHBondContact O-CB 3.4Å; E57-R61 PolarHBondContact O-N 2.85Å
58Y98.4Very high98.2Very high13 Ų1360.3 Ų60.35%0.05131%0.308CS..Hα-helixtrans-62.7-53.4174.1173.9-90000109.9I51 E54 G55 P56 D60 R61 E62 W166 Y170I51-Y58 HydrophobicContact CD1-CE1 4.26Å; I51-Y58 HydrophobicContact CG1-CE1 4.25Å; E54-Y58 HydrophobicContact CB-CD1 3.74Å; E54-Y58 HydrophobicContact CB-CD2 4.41Å; E54-Y58 HydrophobicContact CB-CE1 4.36Å; E54-Y58 HydrophobicContact CB-CG 3.78Å; E54-Y58 HydrophobicContact CG-CD1 4.23Å; E54-Y58 HydrophobicContact CG-CD2 4.38Å; E54-Y58 HydrophobicContact CG-CE1 4.44Å; E54-Y58 HydrophobicContact CG-CG 4.21Å; G55-Y58 WeakPolarHBondContact O-CB 3.34Å; G55-Y58 PolarHBondContact O-N 2.79Å; G55-Y58 VanDerWaalsContact O-N 3.09Å; P56-Y58 VanDerWaalsContact C-N 3.28Å; P56-Y58 PolarHBondContact O-N 3.46Å; Y58-D60 PolarHBondContact O-N 2.98Å; Y58-R61 PolarHBondContact O-N 2.93Å; Y58-E62 HydrophobicContact CD1-CG 4.17Å; Y58-E62 HydrophobicContact CD2-CG 4.22Å; Y58-E62 HydrophobicContact CE1-CG 3.85Å; Y58-E62 HydrophobicContact CE2-CG 3.93Å; Y58-E62 HydrophobicContact CG-CG 4.33Å; Y58-E62 WeakPolarHBondContact O-CB 3.3Å; Y58-E62 WeakPolarHBondContact O-CG 3.36Å; Y58-E62 PolarHBondContact O-N 3.38Å; Y58-W166 AromaticContact CD2-CH2 3.64Å; Y58-W166 HydrophobicContact CD2-CH2 3.64Å; Y58-W166 HydrophobicContact CD2-CZ2 4.22Å; Y58-W166 HydrophobicContact CD2-CZ3 4.01Å; Y58-W166 HydrophobicContact CE2-CE3 4.38Å; Y58-W166 AromaticContact CE2-CH2 3.91Å; Y58-W166 HydrophobicContact CE2-CH2 3.91Å; Y58-W166 HydrophobicContact CE2-CZ2 4.39Å; Y58-W166 AromaticContact CE2-CZ3 3.89Å; Y58-W166 HydrophobicContact CE2-CZ3 3.89Å; Y58-Y170 VanDerWaalsContact CE2-OH 3.32Å; Y58-Y170 WeakPolarHBondContact CE2-OH 3.13Å; Y58-Y170 PolarHBondContact OH-OH 2.82Å
59W98.6Very high98.2Very high39 Ų3961.8 Ų61.815%0.14832%0.315CS..Hα-helixtrans-63.4-39.8-176.2-64.4112.2000112.9V33 K44 P46 I51 E54 G55 P56 T63V33-W59 HydrophobicContact CG1-CH2 4.04Å; V33-W59 HydrophobicContact CG1-CZ3 3.87Å; K44-W59 HydrophobicContact CB-CE3 4.28Å; K44-W59 HydrophobicContact CG-CE3 4.39Å; K44-W59 HydrophobicContact CG-CZ3 4.23Å; P46-W59 HydrophobicContact CB-CH2 3.64Å; P46-W59 HydrophobicContact CB-CZ2 4.01Å; P46-W59 HydrophobicContact CB-CZ3 4.49Å; P46-W59 HydrophobicContact CG-CH2 4.25Å; P46-W59 HydrophobicContact CG-CZ2 4.41Å; I51-W59 HydrophobicContact CB-CH2 4.45Å; I51-W59 HydrophobicContact CG1-CH2 3.76Å; I51-W59 HydrophobicContact CG1-CZ2 4.04Å; I51-W59 HydrophobicContact CG2-CH2 3.96Å; I51-W59 HydrophobicContact CG2-CZ2 4.36Å; I51-W59 WeakPolarHBondContact O-CZ2 3.32Å; E54-W59 PolarHBondContact O-NE1 2.91Å; G55-W59 VanDerWaalsContact O-CD1 3.25Å; G55-W59 PolarHBondContact O-N 3.36Å; P56-W59 PolarHBondContact O-N 3.02Å; W59-T63 WeakPolarHBondContact O-CB 3.3Å; W59-T63 PolarHBondContact O-N 2.99Å; W59-T63 PolarHBondContact O-OG1 3.44Å
60D98.6Very high98.3Very high90 Ų9057.2 Ų57.248%0.48129%0.285SS..Hα-helixtrans-66.9-43.6176.7-75.7-19.7000111.2P56 Y58 T63 Q64P56-D60 WeakPolarHBondContact O-CB 3.44Å; P56-D60 PolarHBondContact O-N 2.97Å; Y58-D60 PolarHBondContact O-N 2.98Å; D60-T63 PolarHBondContact O-N 2.98Å; D60-Q64 WeakPolarHBondContact O-CB 3.4Å; D60-Q64 PolarHBondContact O-N 3.09Å
61R98.3Very high98.3Very high105 Ų10560.4 Ų60.440%0.39630%0.301SS..Hα-helixtrans-62.8-51.2176.5-171.5-174.373.4-176.81.6111.8E57 Y58 T63 Q64 I65E57-R61 WeakPolarHBondContact O-CB 3.4Å; E57-R61 PolarHBondContact O-N 2.85Å; Y58-R61 PolarHBondContact O-N 2.93Å; R61-T63 VanDerWaalsContact C-N 3.28Å; R61-T63 PolarHBondContact O-N 3.46Å; R61-Q64 PolarHBondContact O-N 2.61Å; R61-Q64 VanDerWaalsContact O-N 3.12Å; R61-I65 HydrophobicContact CG-CD1 4.05Å; R61-I65 WeakPolarHBondContact O-CG1 3.45Å; R61-I65 PolarHBondContact O-N 3.37Å
62E98.6Very high98.3Very high18 Ų1863.5 Ų63.58%0.08432%0.32CS..Hα-helixtrans-65.7-33-179-64.8-50129.600112.2K44 Y58 S66K44-E62 HydrophobicContact CB-CB 3.98Å; K44-E62 HydrophobicContact CD-CB 4.47Å; K44-E62 HydrophobicContact CG-CB 3.83Å; Y58-E62 HydrophobicContact CD1-CG 4.17Å; Y58-E62 HydrophobicContact CD2-CG 4.22Å; Y58-E62 HydrophobicContact CE1-CG 3.85Å; Y58-E62 HydrophobicContact CE2-CG 3.93Å; Y58-E62 HydrophobicContact CG-CG 4.33Å; Y58-E62 WeakPolarHBondContact O-CB 3.3Å; Y58-E62 WeakPolarHBondContact O-CG 3.36Å; Y58-E62 PolarHBondContact O-N 3.38Å; E62-S66 WeakPolarHBondContact O-CB 3.47Å; E62-S66 PolarHBondContact O-N 2.81Å; E62-S66 PolarHBondContact O-OG 3.35Å
63T98.8Very high98.3Very high9 Ų957.9 Ų57.96%0.05529%0.293CS..Hα-helixtrans-64-46.3171.2-66.70000111R43 K44 W59 D60 R61 S66 K67R43-T63 HydrophobicContact CB-CG2 4.39Å; R43-T63 HydrophobicContact CG-CG2 4.24Å; K44-T63 PolarHBondContact N-OG1 2.84Å; W59-T63 WeakPolarHBondContact O-CB 3.3Å; W59-T63 PolarHBondContact O-N 2.99Å; W59-T63 PolarHBondContact O-OG1 3.44Å; D60-T63 PolarHBondContact O-N 2.98Å; R61-T63 VanDerWaalsContact C-N 3.28Å; R61-T63 PolarHBondContact O-N 3.46Å; T63-S66 PolarHBondContact O-N 2.97Å; T63-K67 HydrophobicContact CG2-CD 4.21Å; T63-K67 WeakPolarHBondContact O-CG 3.44Å; T63-K67 PolarHBondContact O-N 2.89Å
64Q98.6Very high98.4Very high112 Ų11254.2 Ų54.252%0.52327%0.274SS..Hα-helixtrans-65.2-41.3179.8-171.958.22700111.7D60 R61 S66 K67 T68D60-Q64 WeakPolarHBondContact O-CB 3.4Å; D60-Q64 PolarHBondContact O-N 3.09Å; R61-Q64 PolarHBondContact O-N 2.61Å; R61-Q64 VanDerWaalsContact O-N 3.12Å; Q64-S66 VanDerWaalsContact C-N 3.32Å; Q64-S66 PolarHBondContact O-N 3.01Å; Q64-K67 PolarHBondContact O-N 3.32Å; Q64-T68 PolarHBondContact O-N 3.25Å; Q64-T68 PolarHBondContact O-OG1 3.26Å
65I98.3Very high98.4Very high67 Ų6759 Ų5934%0.34430%0.296SS..Hα-helixtrans-57.7-46.2172.8-69.1166.8000110.4R61 K67 T68 N69R61-I65 HydrophobicContact CG-CD1 4.05Å; R61-I65 WeakPolarHBondContact O-CG1 3.45Å; R61-I65 PolarHBondContact O-N 3.37Å; I65-K67 VanDerWaalsContact C-N 3.34Å; I65-K67 PolarHBondContact O-N 3.49Å; I65-T68 PolarHBondContact O-N 2.96Å; I65-N69 WeakPolarHBondContact O-CB 3.39Å; I65-N69 PolarHBondContact O-N 2.7Å; I65-N69 PolarHBondContact O-ND2 2.81Å
66S98.6Very high98.4Very high2 Ų259.6 Ų59.61%0.01430%0.296CS..Hα-helixtrans-64.7-36.7179.7-57.80000112.6F35 E62 T63 Q64 N69 T70F35-S66 VanDerWaalsContact CD2-CB 3.42Å; F35-S66 VanDerWaalsContact CG-CB 3.48Å; E62-S66 WeakPolarHBondContact O-CB 3.47Å; E62-S66 PolarHBondContact O-N 2.81Å; E62-S66 PolarHBondContact O-OG 3.35Å; T63-S66 PolarHBondContact O-N 2.97Å; Q64-S66 VanDerWaalsContact C-N 3.32Å; Q64-S66 PolarHBondContact O-N 3.01Å; S66-N69 PolarHBondContact O-N 2.68Å; S66-T70 PolarHBondContact O-N 3.01Å; S66-T70 PolarHBondContact O-OG1 3.44Å
67K98.4Very high98.4Very high93 Ų9356 Ų5640%0.40427%0.272SS..Hα-helixtrans-67.4-42173.8-74177178.31770112.3F35 P42 T63 Q64 I65 T70 Q71F35-K67 HydrophobicContact CE2-CG 4.15Å; F35-K67 HydrophobicContact CZ-CG 4.08Å; P42-K67 WeakPolarHBondContact O-CE 3.25Å; T63-K67 HydrophobicContact CG2-CD 4.21Å; T63-K67 WeakPolarHBondContact O-CG 3.44Å; T63-K67 PolarHBondContact O-N 2.89Å; Q64-K67 PolarHBondContact O-N 3.32Å; I65-K67 VanDerWaalsContact C-N 3.34Å; I65-K67 PolarHBondContact O-N 3.49Å; K67-T70 WeakPolarHBondContact O-CB 3.48Å; K67-T70 PolarHBondContact O-N 3.43Å; K67-Q71 PolarHBondContact O-N 3.21Å
68T98.5Very high98.4Very high71 Ų7155.1 Ų55.144%0.43626%0.263SS..Hα-helixtrans-61.3-47.1173.7-62.70000110.6Q64 I65 T70 Q71 T72Q64-T68 PolarHBondContact O-N 3.25Å; Q64-T68 PolarHBondContact O-OG1 3.26Å; I65-T68 PolarHBondContact O-N 2.96Å; T68-T70 VanDerWaalsContact C-N 3.26Å; T68-T70 PolarHBondContact O-N 3.32Å; T68-Q71 PolarHBondContact O-N 3.31Å; T68-T72 PolarHBondContact O-N 2.8Å; T68-T72 PolarHBondContact O-OG1 3.31Å
69N98.4Very high98.4Very high35 Ų3558.2 Ų58.219%0.18728%0.28CS..Hα-helixtrans-59.3-36.4176.2-73.9-21.7000112.4F21 I65 S66 Q71 T72 Y73F21-N69 HydrophobicContact CE1-CB 4.06Å; F21-N69 HydrophobicContact CE2-CB 4.26Å; F21-N69 HydrophobicContact CZ-CB 3.67Å; I65-N69 WeakPolarHBondContact O-CB 3.39Å; I65-N69 PolarHBondContact O-N 2.7Å; I65-N69 PolarHBondContact O-ND2 2.81Å; S66-N69 PolarHBondContact O-N 2.68Å; N69-Q71 VanDerWaalsContact C-N 3.26Å; N69-Q71 PolarHBondContact O-N 3.34Å; N69-T72 PolarHBondContact O-N 3.29Å; N69-Y73 HydrophobicContact CB-CD2 4.46Å; N69-Y73 WeakPolarHBondContact O-CB 3.48Å; N69-Y73 WeakPolarHBondContact O-CD2 3.37Å; N69-Y73 PolarHBondContact O-N 3.21Å
70T98.4Very high98.4Very high11 Ų1156.6 Ų56.67%0.06728%0.275CS..Hα-helixtrans-57-39.8174.7-58.60000111.9F21 S66 K67 T68 R74F21-T70 HydrophobicContact CB-CG2 3.89Å; F21-T70 VanDerWaalsContact CD1-OG1 3.25Å; F21-T70 WeakPolarHBondContact CD1-OG1 3.4Å; S66-T70 PolarHBondContact O-N 3.01Å; S66-T70 PolarHBondContact O-OG1 3.44Å; K67-T70 WeakPolarHBondContact O-CB 3.48Å; K67-T70 PolarHBondContact O-N 3.43Å; T68-T70 VanDerWaalsContact C-N 3.26Å; T68-T70 PolarHBondContact O-N 3.32Å; T70-R74 WeakPolarHBondContact O-CB 3.32Å; T70-R74 PolarHBondContact O-N 2.84Å
71Q98.3Very high98.3Very high87 Ų8755.4 Ų55.441%0.40726%0.263SS..Hα-helixtrans-74.4-45.5176.5-58.9-52.9-4400111.8K67 T68 N69 Y73 R74 E75K67-Q71 PolarHBondContact O-N 3.21Å; T68-Q71 PolarHBondContact O-N 3.31Å; N69-Q71 VanDerWaalsContact C-N 3.26Å; N69-Q71 PolarHBondContact O-N 3.34Å; Q71-Y73 VanDerWaalsContact C-N 3.3Å; Q71-Y73 PolarHBondContact O-N 2.79Å; Q71-R74 WeakPolarHBondContact O-CB 3.35Å; Q71-R74 PolarHBondContact O-N 3.06Å; Q71-R74 VanDerWaalsContact O-N 3.15Å; Q71-E75 PolarHBondContact O-N 2.87Å
72T98.3Very high98.3Very high64 Ų6452.6 Ų52.639%0.39327%0.267SS..Hα-helixtrans-56.9-43.2177.8-55.30000111.9T68 N69 E75 S76T68-T72 PolarHBondContact O-N 2.8Å; T68-T72 PolarHBondContact O-OG1 3.31Å; N69-T72 PolarHBondContact O-N 3.29Å; T72-E75 PolarHBondContact O-N 2.83Å; T72-S76 WeakPolarHBondContact O-CB 3.5Å; T72-S76 PolarHBondContact O-N 3.46Å; T72-S76 PolarHBondContact O-OG 3.36Å; T72-S76 VanDerWaalsContact O-OG 3.09Å
73Y98.4Very high98.3Very high8 Ų854.2 Ų54.23%0.03127%0.273CS..Hα-helixtrans-70-34.7179.9-85.7-112.7000112.3H8 F21 N69 Q71 S76 L77 L94 S96 Y115H8-Y73 HydrophobicContact CB-CE1 3.94Å; H8-Y73 AromaticContact ND1-CE2 3.93Å; H8-Y73 AromaticContact ND1-CZ 3.74Å; H8-Y73 PolarHBondContact ND1-OH 3.44Å; F21-Y73 HydrophobicContact CD2-CD1 4.27Å; F21-Y73 HydrophobicContact CD2-CD2 4.36Å; F21-Y73 AromaticContact CD2-CG 3.97Å; F21-Y73 HydrophobicContact CD2-CG 3.97Å; F21-Y73 HydrophobicContact CE2-CD1 4.04Å; F21-Y73 AromaticContact CE2-CD2 3.79Å; F21-Y73 HydrophobicContact CE2-CD2 3.79Å; F21-Y73 HydrophobicContact CE2-CE1 4.29Å; F21-Y73 HydrophobicContact CE2-CE2 4.07Å; F21-Y73 AromaticContact CE2-CG 3.78Å; F21-Y73 HydrophobicContact CE2-CG 3.78Å; N69-Y73 HydrophobicContact CB-CD2 4.46Å; N69-Y73 WeakPolarHBondContact O-CB 3.48Å; N69-Y73 WeakPolarHBondContact O-CD2 3.37Å; N69-Y73 PolarHBondContact O-N 3.21Å; Q71-Y73 VanDerWaalsContact C-N 3.3Å; Q71-Y73 PolarHBondContact O-N 2.79Å; Y73-S76 PolarHBondContact O-N 2.96Å; Y73-L77 WeakPolarHBondContact O-CB 3.3Å; Y73-L77 WeakPolarHBondContact O-CG 3.36Å; Y73-L77 PolarHBondContact O-N 3.47Å; Y73-L94 HydrophobicContact CD1-CB 4.35Å; Y73-L94 HydrophobicContact CD1-CD2 3.62Å; Y73-L94 HydrophobicContact CD1-CG 3.81Å; Y73-L94 HydrophobicContact CE1-CD2 4.02Å; Y73-L94 HydrophobicContact CE1-CG 3.91Å; Y73-L94 HydrophobicContact CG-CD2 4.24Å; Y73-S96 WeakPolarHBondContact OH-CB 3.42Å; Y73-S96 PolarHBondContact OH-OG 3Å; Y73-Y115 WeakPolarHBondContact OH-CE1 3.39Å
74R98.2Very high98.3Very high44 Ų4457 Ų5717%0.16628%0.283CS..Hα-helixtrans-61.7-45.4172.9176.3-170.6-60.1-176.8-6.3111.4E18 P19 T70 Q71 L77 R78E18-R74 WeakPolarHBondContact OE2-CD 3.44Å; E18-R74 IonicContact OE2-CZ 3.14Å; E18-R74 IonicContact OE2-NE 3.57Å; E18-R74 PolarHBondContact OE2-NE 3.39Å; E18-R74 IonicContact OE2-NH1 3.72Å; E18-R74 IonicContact OE2-NH2 3.45Å; P19-R74 HydrophobicContact CG-CB 4.42Å; P19-R74 HydrophobicContact CG-CG 4.16Å; T70-R74 WeakPolarHBondContact O-CB 3.32Å; T70-R74 PolarHBondContact O-N 2.84Å; Q71-R74 WeakPolarHBondContact O-CB 3.35Å; Q71-R74 PolarHBondContact O-N 3.06Å; Q71-R74 VanDerWaalsContact O-N 3.15Å; R74-L77 PolarHBondContact O-N 3.19Å; R74-R78 WeakPolarHBondContact O-CG 3.37Å; R74-R78 PolarHBondContact O-N 3.32Å
75E98.3Very high98.2Very high114 Ų11459 Ų5953%0.53330%0.297SS..Hα-helixtrans-65.4-43.6175.8-70179.5-177.300111.8Q71 T72 L77 R78 N79Q71-E75 PolarHBondContact O-N 2.87Å; T72-E75 PolarHBondContact O-N 2.83Å; E75-L77 VanDerWaalsContact C-N 3.34Å; E75-L77 PolarHBondContact O-N 2.85Å; E75-R78 WeakPolarHBondContact O-CB 3.17Å; E75-R78 PolarHBondContact O-N 2.97Å; E75-R78 VanDerWaalsContact O-N 3.12Å; E75-N79 PolarHBondContact O-N 3.16Å; E75-N79 PolarHBondContact O-ND2 2.93Å
76S98.4Very high98.2Very high40 Ų4058.6 Ų58.628%0.2829%0.294SS..Hα-helixtrans-57.5-43.7174.4-69.40000112.4T72 Y73 R78 N79 L80 L94T72-S76 WeakPolarHBondContact O-CB 3.5Å; T72-S76 PolarHBondContact O-N 3.46Å; T72-S76 PolarHBondContact O-OG 3.36Å; T72-S76 VanDerWaalsContact O-OG 3.09Å; Y73-S76 PolarHBondContact O-N 2.96Å; S76-R78 VanDerWaalsContact C-N 3.31Å; S76-R78 PolarHBondContact O-N 3.24Å; S76-N79 PolarHBondContact O-N 2.83Å; S76-L80 WeakPolarHBondContact O-CB 3.46Å; S76-L80 WeakPolarHBondContact O-CD1 3.2Å; S76-L80 WeakPolarHBondContact O-CG 3.49Å; S76-L80 PolarHBondContact O-N 3.39Å; S76-L94 VanDerWaalsContact CB-CD2 3.47Å
77L98.6Very high98.1Very high9 Ų962.3 Ų62.35%0.04732%0.32CS..Hα-helixtrans-60.2-38.9175.6-78.2169.5000112.3S10 P19 Y73 R74 E75 R81 H92 L94 Y117S10-L77 WeakPolarHBondContact OG-CD1 3.44Å; P19-L77 HydrophobicContact CB-CD1 3.72Å; P19-L77 HydrophobicContact CG-CD1 3.91Å; Y73-L77 WeakPolarHBondContact O-CB 3.3Å; Y73-L77 WeakPolarHBondContact O-CG 3.36Å; Y73-L77 PolarHBondContact O-N 3.47Å; R74-L77 PolarHBondContact O-N 3.19Å; E75-L77 VanDerWaalsContact C-N 3.34Å; E75-L77 PolarHBondContact O-N 2.85Å; L77-R81 WeakPolarHBondContact O-CB 3.34Å; L77-R81 PolarHBondContact O-N 3.49Å; L77-R81 VanDerWaalsContact O-N 3.11Å; L77-H92 HydrophobicContact CD2-CB 4.27Å; L77-L94 HydrophobicContact CD2-CB 3.65Å; L77-L94 HydrophobicContact CG-CB 4.07Å; L77-Y117 HydrophobicContact CD2-CE2 3.95Å
78R97.7Very high97.8Very high126 Ų12664.2 Ų64.248%0.47533%0.33SS..Hα-helixtrans-66.4-43.1175.3-67.9174.5-173.9168.41.3111.7E18 R74 E75 S76 G82E18-R78 IonicContact OE1-NH2 3.8Å; E18-R78 IonicContact OE2-NH2 3.29Å; R74-R78 WeakPolarHBondContact O-CG 3.37Å; R74-R78 PolarHBondContact O-N 3.32Å; E75-R78 WeakPolarHBondContact O-CB 3.17Å; E75-R78 PolarHBondContact O-N 2.97Å; E75-R78 VanDerWaalsContact O-N 3.12Å; S76-R78 VanDerWaalsContact C-N 3.31Å; S76-R78 PolarHBondContact O-N 3.24Å; R78-G82 PolarHBondContact O-N 2.78Å
79N98.1Very high97.6Very high78 Ų7864.7 Ų64.742%0.41734%0.341SS..Hα-helixtrans-64.2-47.4177.9-70-27.8000111.7E75 S76 R81 G82 Y83E75-N79 PolarHBondContact O-N 3.16Å; E75-N79 PolarHBondContact O-ND2 2.93Å; S76-N79 PolarHBondContact O-N 2.83Å; N79-R81 PolarHBondContact O-N 2.93Å; N79-G82 WeakPolarHBondContact O-CA 3.14Å; N79-G82 PolarHBondContact O-N 3.24Å; N79-G82 VanDerWaalsContact O-N 3.08Å; N79-Y83 WeakPolarHBondContact O-CD1 3.25Å; N79-Y83 PolarHBondContact O-N 3.44Å
80L98.4Very high97.5Very high6 Ų664.2 Ų64.23%0.03135%0.345CS..Hα-helixtrans-59.6-47.5179.7-72.7163.2000111.1S76 G82 Y83 Y84 L94 Y117 Y122S76-L80 WeakPolarHBondContact O-CB 3.46Å; S76-L80 WeakPolarHBondContact O-CD1 3.2Å; S76-L80 WeakPolarHBondContact O-CG 3.49Å; S76-L80 PolarHBondContact O-N 3.39Å; L80-G82 PolarHBondContact O-N 2.72Å; L80-Y83 HydrophobicContact CD2-CD2 4.45Å; L80-Y83 PolarHBondContact O-N 2.93Å; L80-Y84 HydrophobicContact CD2-CE2 4.14Å; L80-Y84 WeakPolarHBondContact O-CD2 3.46Å; L80-Y84 PolarHBondContact O-N 3.16Å; L80-L94 HydrophobicContact CD1-CD1 3.81Å; L80-L94 HydrophobicContact CD1-CD2 4.02Å; L80-L94 HydrophobicContact CD1-CG 4.34Å; L80-Y117 HydrophobicContact CB-CD1 4.42Å; L80-Y117 HydrophobicContact CB-CD2 4.17Å; L80-Y117 HydrophobicContact CB-CE1 4.06Å; L80-Y117 HydrophobicContact CB-CE2 3.82Å; L80-Y117 HydrophobicContact CB-CG 4.46Å; L80-Y117 HydrophobicContact CD1-CD2 3.61Å; L80-Y117 HydrophobicContact CD1-CE2 3.93Å; L80-Y117 HydrophobicContact CD1-CG 4.11Å; L80-Y117 HydrophobicContact CD2-CG 4.41Å; L80-Y117 HydrophobicContact CG-CD2 4.36Å; L80-Y117 HydrophobicContact CG-CE2 4.45Å; L80-Y122 HydrophobicContact CD2-CD1 4.32Å; L80-Y122 HydrophobicContact CD2-CD2 4.05Å; L80-Y122 HydrophobicContact CD2-CE1 3.79Å; L80-Y122 HydrophobicContact CD2-CE2 3.45Å; L80-Y122 VanDerWaalsContact CD2-CE2 3.45Å; L80-Y122 HydrophobicContact CD2-CG 4.44Å
81R97.7Very high97.4Very high64 Ų6467.3 Ų67.324%0.24237%0.367CS..Hα-helixtrans-53-41.6174.2-174.5-173.665.1-179.610.1111.9L77 N79 N85 Q86 E88L77-R81 WeakPolarHBondContact O-CB 3.34Å; L77-R81 PolarHBondContact O-N 3.49Å; L77-R81 VanDerWaalsContact O-N 3.11Å; N79-R81 PolarHBondContact O-N 2.93Å; R81-N85 PolarHBondContact O-N 2.86Å; R81-N85 VanDerWaalsContact O-N 3.15Å; R81-Q86 HydrophobicContact CG-CB 3.81Å; R81-Q86 WeakPolarHBondContact CG-O 3.21Å; R81-Q86 PolarHBondContact O-N 3.24Å; R81-E88 IonicContact CZ-OE1 3.96Å; R81-E88 VanDerWaalsContact CZ-OE1 3.29Å; R81-E88 IonicContact NH1-OE1 2.74Å; R81-E88 PolarHBondContact NH1-OE1 3.2Å; R81-E88 IonicContact NH2-OE1 3.67Å; R81-E88 PolarHBondContact NH2-OE1 2.85Å
82G97.7Very high97.4Very high46 Ų4664 Ų6447%0.47435%0.352SS..Hα-helixtrans-65.2-45.7174.600000113.1R78 N79 L80 Y84 N85R78-G82 PolarHBondContact O-N 2.78Å; N79-G82 WeakPolarHBondContact O-CA 3.14Å; N79-G82 PolarHBondContact O-N 3.24Å; N79-G82 VanDerWaalsContact O-N 3.08Å; L80-G82 PolarHBondContact O-N 2.72Å; G82-Y84 VanDerWaalsContact C-N 3.26Å; G82-Y84 PolarHBondContact O-N 3.15Å; G82-N85 PolarHBondContact O-N 3.28Å; G82-N85 VanDerWaalsContact O-N 3.15Å
83Y98.2Very high97.5Very high53 Ų5362.8 Ų62.821%0.20834%0.344CS..Hα-helixtrans-61.4-34.7179.2-61.3-15.6000112.9N79 L80 I141 K145N79-Y83 WeakPolarHBondContact O-CD1 3.25Å; N79-Y83 PolarHBondContact O-N 3.44Å; L80-Y83 HydrophobicContact CD2-CD2 4.45Å; L80-Y83 PolarHBondContact O-N 2.93Å; Y83-I141 HydrophobicContact CD1-CD1 4.04Å; Y83-I141 HydrophobicContact CE1-CD1 4.38Å; Y83-I141 HydrophobicContact CE1-CG2 3.94Å; Y83-I141 HydrophobicContact CE2-CB 4.28Å; Y83-I141 HydrophobicContact CE2-CG2 4.18Å; Y83-I141 HydrophobicContact CG-CD1 4.15Å; Y83-K145 PolarHBondContact OH-NZ 2.79Å
84Y98.2Very high97.5Very high66 Ų6662.6 Ų62.626%0.25934%0.344SS..THydrogen-bonded Turntrans-93.55178.7-67.6-73.1000114.1L80 G82 Q86 Y117 Y122 D136 A138L80-Y84 HydrophobicContact CD2-CE2 4.14Å; L80-Y84 WeakPolarHBondContact O-CD2 3.46Å; L80-Y84 PolarHBondContact O-N 3.16Å; G82-Y84 VanDerWaalsContact C-N 3.26Å; G82-Y84 PolarHBondContact O-N 3.15Å; Y84-Q86 PolarHBondContact O-N 3.21Å; Y84-Y117 AromaticContact CD2-CD1 3.68Å; Y84-Y117 HydrophobicContact CD2-CD1 3.68Å; Y84-Y117 AromaticContact CD2-CE1 3.44Å; Y84-Y117 HydrophobicContact CD2-CE1 3.44Å; Y84-Y117 VanDerWaalsContact CD2-CE1 3.44Å; Y84-Y117 AromaticContact CE2-CD1 3.39Å; Y84-Y117 HydrophobicContact CE2-CD1 3.39Å; Y84-Y117 AromaticContact CE2-CE1 3.7Å; Y84-Y117 HydrophobicContact CE2-CE1 3.7Å; Y84-Y117 HydrophobicContact CE2-CG 4.38Å; Y84-Y117 HydrophobicContact CG-CE1 4.36Å; Y84-Y122 HydrophobicContact CE2-CD2 4.49Å; Y84-Y122 HydrophobicContact CE2-CE2 4.18Å; Y84-Y122 VanDerWaalsContact OH-CD2 3.3Å; Y84-Y122 WeakPolarHBondContact OH-CD2 3.38Å; Y84-Y122 WeakPolarHBondContact OH-CE2 3.4Å; Y84-D136 VanDerWaalsContact CE1-OD2 3.32Å; Y84-D136 WeakPolarHBondContact CE1-OD2 3.48Å; Y84-D136 PolarHBondContact OH-OD1 2.99Å; Y84-D136 PolarHBondContact OH-OD2 2.87Å; Y84-A138 HydrophobicContact CD1-CB 4.17Å; Y84-A138 HydrophobicContact CD2-CB 4.47Å; Y84-A138 HydrophobicContact CE1-CB 3.61Å; Y84-A138 HydrophobicContact CE2-CB 3.94Å; Y84-A138 VanDerWaalsContact CZ-CB 3.49Å
85N97.4Very high97.5Very high154 Ų15464 Ų6482%0.82435%0.352SS*.THydrogen-bonded Turntrans51.739.5-177.2-56.7-60.7000113.4R81 G82R81-N85 PolarHBondContact O-N 2.86Å; R81-N85 VanDerWaalsContact O-N 3.15Å; G82-N85 PolarHBondContact O-N 3.28Å; G82-N85 VanDerWaalsContact O-N 3.15Å
86Q97.7Very high97.5Very high60 Ų6058.9 Ų58.928%0.2833%0.329SS..  trans-88.2152.6-175.9-72.1166.2-32.100112.2R81 Y84 H92 Y117R81-Q86 HydrophobicContact CG-CB 3.81Å; R81-Q86 WeakPolarHBondContact CG-O 3.21Å; R81-Q86 PolarHBondContact O-N 3.24Å; Y84-Q86 PolarHBondContact O-N 3.21Å; Q86-H92 PolarHBondContact NE2-CE1 3.23Å; Q86-H92 PolarHBondContact OE1-CE1 3.25Å; Q86-H92 VanDerWaalsContact OE1-CE1 3.29Å; Q86-Y117 PolarHBondContact OE1-OH 3.43Å
87S96.1Very high97.6Very high80 Ų8058 Ų5856%0.55932%0.321SS*.  trans-68.2148.7178.4174.30000112.5A89 G90S87-A89 PolarHBondContact O-N 3.46Å; S87-A89 PolarHBondContact OG-N 2.91Å; S87-G90 PolarHBondContact O-N 2.65Å
88E93.8Very high97.6Very high132 Ų13259.5 Ų59.562%0.61733%0.326SS*.THydrogen-bonded Turntrans-68.5-18.7173.9-53.4-152.7129.300113.9P14 R81 G90P14-E88 WeakPolarHBondContact CB-O 3.16Å; P14-E88 WeakPolarHBondContact CG-O 3.44Å; R81-E88 IonicContact CZ-OE1 3.96Å; R81-E88 VanDerWaalsContact CZ-OE1 3.29Å; R81-E88 IonicContact NH1-OE1 2.74Å; R81-E88 PolarHBondContact NH1-OE1 3.2Å; R81-E88 IonicContact NH2-OE1 3.67Å; R81-E88 PolarHBondContact NH2-OE1 2.85Å; E88-G90 VanDerWaalsContact C-N 3.28Å; E88-G90 PolarHBondContact O-N 2.98Å
89A94.2Very high97.6Very high81 Ų8153.5 Ų53.567%0.66930%0.303SS*.THydrogen-bonded Turntrans-76.7-16.2179.600000113S87S87-A89 PolarHBondContact O-N 3.46Å; S87-A89 PolarHBondContact OG-N 2.91Å
90G94.9Very high97.7Very high26 Ų2649.8 Ų49.827%0.26828%0.283SS..  trans-75.3134.6-178.300000113.1P14 S87 E88 H92P14-G90 VanDerWaalsContact CG-O 3.25Å; P14-G90 WeakPolarHBondContact CG-O 3.4Å; S87-G90 PolarHBondContact O-N 2.65Å; E88-G90 VanDerWaalsContact C-N 3.28Å; E88-G90 PolarHBondContact O-N 2.98Å; G90-H92 PolarHBondContact O-CD2 3.14Å
91S97.9Very high97.7Very high76 Ų7650.9 Ų50.953%0.53129%0.289SS..  trans-80131.4164.1-1770000108.7S12S12-S91 PolarHBondContact O-OG 2.79Å
92H98.6Very high97.7Very high17 Ų1747.9 Ų47.98%0.07928%0.278CS..  trans-132152.4-176.8-64.7-74.8000110.8V11 S12 L77 Q86 G90 Y117 D118V11-H92 WeakPolarHBondContact CA-O 3.14Å; S12-H92 PolarHBondContact N-O 3.17Å; S12-H92 PolarHBondContact OG-N 3.45Å; S12-H92 PolarHBondContact OG-O 2.68Å; L77-H92 HydrophobicContact CD2-CB 4.27Å; Q86-H92 PolarHBondContact NE2-CE1 3.23Å; Q86-H92 PolarHBondContact OE1-CE1 3.25Å; Q86-H92 VanDerWaalsContact OE1-CE1 3.29Å; G90-H92 PolarHBondContact O-CD2 3.14Å; H92-Y117 HydrophobicContact CB-CE2 3.85Å; H92-Y117 WeakPolarHBondContact CB-OH 3.24Å; H92-Y117 VanDerWaalsContact CG-OH 3.22Å; H92-Y117 AromaticContact ND1-CZ 3.92Å; H92-Y117 PolarHBondContact ND1-OH 3.05Å; H92-D118 WeakPolarHBondContact CA-OD1 3.27Å; H92-D118 WeakPolarHBondContact CB-OD1 3.49Å; H92-D118 IonicContact CE1-OD2 3.04Å; H92-D118 IonicContact CG-OD1 3.22Å; H92-D118 IonicContact CG-OD2 3.35Å; H92-D118 IonicContact ND1-OD1 2.9Å; H92-D118 IonicContact ND1-OD2 3.78Å; H92-D118 PolarHBondContact ND1-OD2 2.96Å
93T98.8Very high97.7Very high38 Ų3845.9 Ų45.923%0.23326%0.258CS..EExtended strand (participates in β ladder)trans-122.5129.6-176.6-57.90000110.5T9 S10 V11 Q95 Y117 D118T9-T93 HydrophobicContact CG2-CG2 4.16Å; S10-T93 CarbonylContact O-C 3.59Å; S10-T93 WeakPolarHBondContact O-CA 2.82Å; V11-T93 HydrophobicContact CG2-CG2 4.25Å; T93-Q95 HydrophobicContact CG2-CG 3.9Å; T93-Y117 CarbonylContact O-C 3.6Å; T93-Y117 WeakPolarHBondContact O-CA 3.25Å; T93-Y117 VanDerWaalsContact O-CD2 3.22Å; T93-Y117 WeakPolarHBondContact O-CD2 3.34Å; T93-D118 PolarHBondContact N-OD1 3.02Å; T93-D118 PolarHBondContact O-N 2.89Å
94L98.9Very high97.6Very high4 Ų449.6 Ų49.62%0.02129%0.288CS..EExtended strand (participates in β ladder)trans-116.5123.6169.6175.360.7000108.9S10 Y73 S76 L77 L80 Y115 A116S10-L94 PolarHBondContact N-O 2.93Å; S10-L94 PolarHBondContact O-N 3.36Å; Y73-L94 HydrophobicContact CD1-CB 4.35Å; Y73-L94 HydrophobicContact CD1-CD2 3.62Å; Y73-L94 HydrophobicContact CD1-CG 3.81Å; Y73-L94 HydrophobicContact CE1-CD2 4.02Å; Y73-L94 HydrophobicContact CE1-CG 3.91Å; Y73-L94 HydrophobicContact CG-CD2 4.24Å; S76-L94 VanDerWaalsContact CB-CD2 3.47Å; L77-L94 HydrophobicContact CD2-CB 3.65Å; L77-L94 HydrophobicContact CG-CB 4.07Å; L80-L94 HydrophobicContact CD1-CD1 3.81Å; L80-L94 HydrophobicContact CD1-CD2 4.02Å; L80-L94 HydrophobicContact CD1-CG 4.34Å; L94-Y115 HydrophobicContact CD1-CD1 4.26Å; L94-A116 WeakPolarHBondContact CD1-O 3.4Å
95Q98.9Very high97.5Very high74 Ų7451 Ų5135%0.34630%0.3SS..EExtended strand (participates in β ladder)trans-117.6150.5178.1-67.1168-81.500110.2H8 T9 T93 Y115 A116H8-Q95 VanDerWaalsContact O-CA 3.26Å; H8-Q95 WeakPolarHBondContact O-CA 3.24Å; T9-Q95 HydrophobicContact CG2-CG 4.14Å; T93-Q95 HydrophobicContact CG2-CG 3.9Å; Q95-Y115 CarbonylContact O-C 3.55Å; Q95-Y115 VanDerWaalsContact O-CA 3.24Å; Q95-Y115 WeakPolarHBondContact O-CA 3.28Å; Q95-A116 HydrophobicContact CB-CB 4.37Å; Q95-A116 PolarHBondContact N-O 2.86Å; Q95-A116 PolarHBondContact O-N 2.9Å
96S98.6Very high97.4Very high6 Ų644.1 Ų44.14%0.04227%0.266CS..EExtended strand (participates in β ladder)trans-137.5152.7163.781.30000111.7F7 H8 Y73 Q114F7-S96 WeakPolarHBondContact CA-O 3.21Å; H8-S96 WeakPolarHBondContact CB-OG 3.47Å; H8-S96 PolarHBondContact N-O 3.15Å; H8-S96 PolarHBondContact O-N 3.15Å; Y73-S96 WeakPolarHBondContact OH-CB 3.42Å; Y73-S96 PolarHBondContact OH-OG 3Å; S96-Q114 CarbonylContact C-O 3.52Å; S96-Q114 WeakPolarHBondContact CA-O 3.47Å; S96-Q114 WeakPolarHBondContact CB-O 3.2Å
97M98.8Very high97.4Very high23 Ų2349.5 Ų49.511%0.11328%0.284CS..EExtended strand (participates in β ladder)trans-130.2131.2164.3-177.2-79.5-70.700108.6Y6 F7 H112 N113 Q114Y6-M97 WeakPolarHBondContact O-CA 3.32Å; F7-M97 HydrophobicContact CD1-CB 4.03Å; F7-M97 HydrophobicContact CD1-CG 3.75Å; F7-M97 HydrophobicContact CE1-CB 4.13Å; F7-M97 HydrophobicContact CE1-CG 3.44Å; F7-M97 VanDerWaalsContact CE1-CG 3.44Å; F7-M97 HydrophobicContact CZ-CG 4.07Å; M97-H112 HydrophobicContact CE-CB 3.99Å; M97-H112 HydrophobicContact SD-CB 3.97Å; M97-N113 WeakPolarHBondContact O-CA 3.44Å; M97-Q114 HydrophobicContact CB-CG 4.23Å; M97-Q114 HydrophobicContact CE-CG 4.06Å; M97-Q114 PolarHBondContact N-O 3.04Å; M97-Q114 PolarHBondContact O-N 3.03Å
98Y98.8Very high97.5Very high39 Ų3948.1 Ų48.115%0.15327%0.27CS..EExtended strand (participates in β ladder)trans-144.7159171.269.2-84.7000110.8R5 Y6 H8 H112 Y158R5-Y98 WeakPolarHBondContact CA-O 3.3Å; Y6-Y98 VanDerWaalsContact CB-CZ 3.49Å; Y6-Y98 HydrophobicContact CD2-CD2 4.49Å; Y6-Y98 AromaticContact CD2-CE2 3.68Å; Y6-Y98 HydrophobicContact CD2-CE2 3.68Å; Y6-Y98 AromaticContact CD2-CZ 3.78Å; Y6-Y98 HydrophobicContact CG-CE1 4.37Å; Y6-Y98 HydrophobicContact CG-CE2 4.2Å; Y6-Y98 AromaticContact CG-CZ 3.83Å; Y6-Y98 PolarHBondContact N-O 3.01Å; Y6-Y98 PolarHBondContact O-N 3.32Å; H8-Y98 AromaticContact CE1-CE1 3.47Å; H8-Y98 VanDerWaalsContact CE1-CE1 3.47Å; H8-Y98 WeakPolarHBondContact CE1-CE1 3.48Å; H8-Y98 AromaticContact NE2-CE1 3.72Å; Y98-H112 CarbonylContact C-O 3.6Å; Y98-H112 WeakPolarHBondContact CA-O 3.24Å; Y98-H112 VanDerWaalsContact CB-O 3.23Å; Y98-H112 WeakPolarHBondContact CB-O 3.26Å; Y98-Y158 AromaticContact CD2-CE1 3.87Å; Y98-Y158 HydrophobicContact CD2-CE1 3.87Å; Y98-Y158 AromaticContact CE2-CE1 3.81Å; Y98-Y158 HydrophobicContact CE2-CE1 3.81Å
99G98.8Very high97.7Very high0 Ų047.4 Ų47.40%027%0.27CS..EExtended strand (participates in β ladder)trans154.9-172.5-179.900000113.3M4 H112 L159M4-G99 CarbonylContact O-C 3.54Å; M4-G99 WeakPolarHBondContact O-CA 3.03Å; G99-H112 PolarHBondContact N-O 3.23Å; G99-H112 PolarHBondContact O-N 3.12Å; G99-L159 WeakPolarHBondContact O-CD2 3.04Å
100C98.8Very high97.8Very high0 Ų048.6 Ų48.60%026%0.257CS..EExtended strand (participates in β ladder)trans-132.2145.1-171.749.60000111S3 M4 L108 R110 C163 V164S3-C100 WeakPolarHBondContact CA-O 3.39Å; M4-C100 PolarHBondContact N-O 2.98Å; M4-C100 PolarHBondContact O-N 3.22Å; C100-L108 HydrophobicContact CB-CD1 3.63Å; C100-R110 WeakPolarHBondContact CA-O 3.47Å; C100-C163 HydrophobicContact CB-CB 3.93Å; C100-C163 WeakPolarHBondContact CB-SG 3.33Å; C100-C163 PolarHBondContact N-SG 3.2Å; C100-C163 WeakPolarHBondContact SG-CB 3.39Å; C100-C163 PolarHBondContact SG-O 3.27Å; C100-C163 VanDerWaalsContact SG-O 3.41Å; C100-C163 CovalentContact SG-SG 2.05Å; C100-C163 PolarHBondContact SG-SG 2.98Å; C100-V164 HydrophobicContact CB-CG2 4.26Å
101D98.8Very high98Very high30 Ų3047.5 Ų47.516%0.1625%0.246CC..EExtended strand (participates in β ladder)trans-110.2136171.8-54.5-28.3000108.8H2 S3 R5 L109 R110 H112H2-D101 CarbonylContact O-C 3.59Å; H2-D101 WeakPolarHBondContact O-CA 3.44Å; S3-D101 WeakPolarHBondContact CB-OD1 3.38Å; R5-D101 IonicContact CZ-OD1 2.72Å; R5-D101 IonicContact NE-OD1 3.56Å; R5-D101 PolarHBondContact NE-OD1 3.17Å; R5-D101 VanDerWaalsContact NH2-CG 3.35Å; R5-D101 IonicContact NH2-OD1 3.95Å; R5-D101 PolarHBondContact NH2-OD1 2.69Å; R5-D101 IonicContact NH2-OD2 3.69Å; R5-D101 PolarHBondContact NH2-OD2 3.35Å; R5-D101 VanDerWaalsContact NH2-OD2 3.14Å; D101-L109 PolarHBondContact O-N 3.41Å; D101-R110 HydrophobicContact CB-CB 4.47Å; D101-R110 PolarHBondContact N-O 2.93Å; D101-R110 PolarHBondContact O-N 2.87Å; D101-H112 IonicContact OD1-NE2 3.57Å; D101-H112 IonicContact OD2-CD2 3.95Å; D101-H112 IonicContact OD2-CE1 3.39Å; D101-H112 IonicContact OD2-NE2 3.44Å; D101-H112 PolarHBondContact OD2-NE2 2.81Å
102V98.7Very high98Very high1 Ų144.8 Ų44.81%0.00623%0.225CC..EExtended strand (participates in β ladder)trans-125.1146-179.5-60.10000112.5S1 H2 R107 V164 L167S1-V102 WeakPolarHBondContact CA-O 3.22Å; S1-V102 VanDerWaalsContact CB-O 3.29Å; S1-V102 WeakPolarHBondContact CB-O 3.42Å; H2-V102 HydrophobicContact CB-CG2 4.1Å; H2-V102 PolarHBondContact N-O 3.08Å; H2-V102 PolarHBondContact O-N 3.09Å; V102-R107 WeakPolarHBondContact CA-O 3.47Å; V102-R107 WeakPolarHBondContact CB-O 3.41Å; V102-V164 HydrophobicContact CG1-CB 4.47Å; V102-V164 HydrophobicContact CG1-CG1 4.03Å; V102-V164 HydrophobicContact CG1-CG2 4Å; V102-L167 HydrophobicContact CB-CD2 4.36Å; V102-L167 HydrophobicContact CG1-CD2 3.95Å; V102-L167 HydrophobicContact CG2-CD2 3.59Å; V102-L167 HydrophobicContact CG2-CG 4.23Å
103G97.8Very high98.1Very high4 Ų444.2 Ų44.24%0.04122%0.222CC..  trans-73.4175.5173.200000112.3D105 G106 R107G103-D105 PolarHBondContact O-N 3.24Å; G103-G106 WeakPolarHBondContact O-CA 3.25Å; G103-G106 PolarHBondContact O-N 3.11Å; G103-R107 PolarHBondContact N-O 3.41Å
104P95.9Very high98Very high130 Ų13046 Ų4684%0.84423%0.228SC*.THydrogen-bonded Turntrans-59.4-25.9173.2-22.834.1000113.7G106P104-G106 PolarHBondContact O-N 3.49Å
105D95.7Very high98Very high95 Ų9548 Ų4851%0.50824%0.235SC..THydrogen-bonded Turntrans-79.82.1173.568.6-12.7000113.1G103 R107G103-D105 PolarHBondContact O-N 3.24Å; D105-R107 PolarHBondContact O-N 2.82Å; D105-R107 WeakPolarHBondContact OD1-CB 3.1Å; D105-R107 PolarHBondContact OD1-N 2.79Å; D105-R107 WeakPolarHBondContact OD2-CD 3.34Å; D105-R107 WeakPolarHBondContact OD2-CG 3.4Å; D105-R107 IonicContact OD2-NE 2.98Å; D105-R107 IonicContact OD2-NH1 3.51Å
106G94.9Very high98Very high11 Ų1145.2 Ų45.211%0.11323%0.225CC..  trans72.34.2-178.100000114.3G103 P104 V164 R168G103-G106 WeakPolarHBondContact O-CA 3.25Å; G103-G106 PolarHBondContact O-N 3.11Å; P104-G106 PolarHBondContact O-N 3.49Å; G106-V164 WeakPolarHBondContact O-CG1 3.43Å; G106-R168 VanDerWaalsContact C-NH2 3.28Å; G106-R168 PolarHBondContact O-NE 3Å; G106-R168 PolarHBondContact O-NH2 3.38Å
107R97.3Very high98.1Very high173 Ų17345.4 Ų45.465%0.65323%0.225SC*.  trans-78.2148.8179.2-65.7-173.4-178.6159.4-3.3111.1V102 G103 D105 L109V102-R107 WeakPolarHBondContact CA-O 3.47Å; V102-R107 WeakPolarHBondContact CB-O 3.41Å; G103-R107 PolarHBondContact N-O 3.41Å; D105-R107 PolarHBondContact O-N 2.82Å; D105-R107 WeakPolarHBondContact OD1-CB 3.1Å; D105-R107 PolarHBondContact OD1-N 2.79Å; D105-R107 WeakPolarHBondContact OD2-CD 3.34Å; D105-R107 WeakPolarHBondContact OD2-CG 3.4Å; D105-R107 IonicContact OD2-NE 2.98Å; D105-R107 IonicContact OD2-NH1 3.51Å; R107-L109 PolarHBondContact O-N 2.85Å
108L98.4Very high98Very high51 Ų5147.3 Ų47.327%0.26724%0.236SC..EExtended strand (participates in β ladder)trans-59.3124.4176.1-174.871.2000109.8C100 R110 L129 E160 V164C100-L108 HydrophobicContact CB-CD1 3.63Å; L108-R110 WeakPolarHBondContact CD1-O 3.18Å; L108-L129 HydrophobicContact CD2-CD1 4.23Å; L108-E160 HydrophobicContact CD2-CB 4.42Å; L108-E160 HydrophobicContact CD2-CG 3.69Å; L108-V164 HydrophobicContact CB-CG2 4.07Å; L108-V164 HydrophobicContact CD1-CG2 3.82Å
109L98.1Very high98Very high117 Ų11748.4 Ų48.461%0.61326%0.258SS*.EExtended strand (participates in β ladder)trans-93.8-44.2168.2-64.8177.5000110.6D101 R107D101-L109 PolarHBondContact O-N 3.41Å; R107-L109 PolarHBondContact O-N 2.85Å
110R97.6Very high98Very high105 Ų10556.1 Ų56.140%0.39629%0.292SS..EExtended strand (participates in β ladder)trans-156.3140.3-176.2-173.3173175.2143.88.5111.2C100 D101 L108 H112 E127C100-R110 WeakPolarHBondContact CA-O 3.47Å; D101-R110 HydrophobicContact CB-CB 4.47Å; D101-R110 PolarHBondContact N-O 2.93Å; D101-R110 PolarHBondContact O-N 2.87Å; L108-R110 WeakPolarHBondContact CD1-O 3.18Å; R110-H112 WeakPolarHBondContact CD-CE1 3.13Å; R110-H112 PolarHBondContact NE-CE1 3.36Å; R110-E127 VanDerWaalsContact CZ-CD 3.47Å; R110-E127 IonicContact CZ-OE1 2.78Å; R110-E127 IonicContact NE-OE1 2.8Å; R110-E127 IonicContact NH1-OE1 3.16Å; R110-E127 PolarHBondContact NH1-OE1 2.89Å; R110-E127 VanDerWaalsContact NH2-CG 3.32Å; R110-E127 IonicContact NH2-OE1 2.8Å; R110-E127 PolarHBondContact NH2-OE1 2.73Å
111G98.4Very high98Very high4 Ų461.9 Ų61.94%0.04132%0.323CS..EExtended strand (participates in β ladder)trans-106.3150.9167.600000111
112H98.6Very high98Very high19 Ų1960.9 Ų60.99%0.08832%0.317CS..EExtended strand (participates in β ladder)trans-131.6139.8-179.1-56.3-93.6000110.1R5 M97 Y98 G99 D101 R110R5-H112 PolarHBondContact NH2-NE2 3.39Å; R5-H112 VanDerWaalsContact NH2-NE2 3.14Å; M97-H112 HydrophobicContact CE-CB 3.99Å; M97-H112 HydrophobicContact SD-CB 3.97Å; Y98-H112 CarbonylContact C-O 3.6Å; Y98-H112 WeakPolarHBondContact CA-O 3.24Å; Y98-H112 VanDerWaalsContact CB-O 3.23Å; Y98-H112 WeakPolarHBondContact CB-O 3.26Å; G99-H112 PolarHBondContact N-O 3.23Å; G99-H112 PolarHBondContact O-N 3.12Å; D101-H112 IonicContact OD1-NE2 3.57Å; D101-H112 IonicContact OD2-CD2 3.95Å; D101-H112 IonicContact OD2-CE1 3.39Å; D101-H112 IonicContact OD2-NE2 3.44Å; D101-H112 PolarHBondContact OD2-NE2 2.81Å; R110-H112 WeakPolarHBondContact CD-CE1 3.13Å; R110-H112 PolarHBondContact NE-CE1 3.36Å
113N98.7Very high98Very high5 Ų561 Ų613%0.02732%0.318CS..EExtended strand (participates in β ladder)trans-156.4110164.2-165.9-55.9000109.2M97 Y115 L125 L155M97-N113 WeakPolarHBondContact O-CA 3.44Å; N113-Y115 WeakPolarHBondContact OD1-CE2 3.46Å; N113-L125 HydrophobicContact CB-CB 3.98Å; N113-L125 HydrophobicContact CB-CD2 4.12Å; N113-L125 WeakPolarHBondContact O-CB 3.34Å; N113-L125 PolarHBondContact O-N 2.92Å; N113-L155 HydrophobicContact CB-CD1 4.18Å; N113-L155 VanDerWaalsContact ND2-CD2 3.3Å; N113-L155 WeakPolarHBondContact ND2-CD2 3.46Å
114Q98.8Very high98.1Very high74 Ų7462.3 Ų62.335%0.34633%0.328SS..EExtended strand (participates in β ladder)trans-143.8150.4-174.863.9-168.154.200111.7S96 M97 I123 A124S96-Q114 CarbonylContact C-O 3.52Å; S96-Q114 WeakPolarHBondContact CA-O 3.47Å; S96-Q114 WeakPolarHBondContact CB-O 3.2Å; M97-Q114 HydrophobicContact CB-CG 4.23Å; M97-Q114 HydrophobicContact CE-CG 4.06Å; M97-Q114 PolarHBondContact N-O 3.04Å; M97-Q114 PolarHBondContact O-N 3.03Å; Q114-I123 WeakPolarHBondContact CA-O 3.4Å; Q114-A124 HydrophobicContact CB-CB 3.86Å
115Y98.9Very high98.2Very high46 Ų4656.8 Ų56.818%0.1829%0.291CS..EExtended strand (participates in β ladder)trans-126.5145.8-178.5-64.9-100.6000111Y73 L94 Q95 N113 Y122 I123 W146Y73-Y115 WeakPolarHBondContact OH-CE1 3.39Å; L94-Y115 HydrophobicContact CD1-CD1 4.26Å; Q95-Y115 CarbonylContact O-C 3.55Å; Q95-Y115 VanDerWaalsContact O-CA 3.24Å; Q95-Y115 WeakPolarHBondContact O-CA 3.28Å; N113-Y115 WeakPolarHBondContact OD1-CE2 3.46Å; Y115-Y122 WeakPolarHBondContact O-CB 3.44Å; Y115-Y122 PolarHBondContact O-N 2.85Å; Y115-I123 HydrophobicContact CD2-CG2 4.08Å; Y115-I123 PolarHBondContact N-O 3.02Å; Y115-I123 PolarHBondContact O-N 2.86Å; Y115-W146 AromaticContact CD2-CH2 3.71Å; Y115-W146 HydrophobicContact CD2-CH2 3.71Å; Y115-W146 HydrophobicContact CD2-CZ3 4.22Å; Y115-W146 AromaticContact CE2-CH2 3.35Å; Y115-W146 HydrophobicContact CE2-CH2 3.35Å; Y115-W146 HydrophobicContact CE2-CZ2 4.36Å; Y115-W146 AromaticContact CE2-CZ3 3.98Å; Y115-W146 HydrophobicContact CE2-CZ3 3.98Å; Y115-W146 AromaticContact CZ-CH2 3.9Å
116A98.9Very high98.3Very high16 Ų1654.4 Ų54.413%0.13228%0.279CS..EExtended strand (participates in β ladder)trans-127.5143.1171.900000110.5L94 Q95 K120L94-A116 WeakPolarHBondContact CD1-O 3.4Å; Q95-A116 HydrophobicContact CB-CB 4.37Å; Q95-A116 PolarHBondContact N-O 2.86Å; Q95-A116 PolarHBondContact O-N 2.9Å; A116-K120 CarbonylContact C-O 3.54Å; A116-K120 WeakPolarHBondContact CA-O 3.29Å; A116-K120 VanDerWaalsContact CB-O 3.25Å; A116-K120 WeakPolarHBondContact CB-O 3.41Å
117Y98.8Very high98.5Very high10 Ų1060.1 Ų60.14%0.03930%0.302CS..EExtended strand (participates in β ladder)trans-121.9126.9176-174-121.1000110L77 L80 Y84 Q86 H92 T93 G119 K120L77-Y117 HydrophobicContact CD2-CE2 3.95Å; L80-Y117 HydrophobicContact CB-CD1 4.42Å; L80-Y117 HydrophobicContact CB-CD2 4.17Å; L80-Y117 HydrophobicContact CB-CE1 4.06Å; L80-Y117 HydrophobicContact CB-CE2 3.82Å; L80-Y117 HydrophobicContact CB-CG 4.46Å; L80-Y117 HydrophobicContact CD1-CD2 3.61Å; L80-Y117 HydrophobicContact CD1-CE2 3.93Å; L80-Y117 HydrophobicContact CD1-CG 4.11Å; L80-Y117 HydrophobicContact CD2-CG 4.41Å; L80-Y117 HydrophobicContact CG-CD2 4.36Å; L80-Y117 HydrophobicContact CG-CE2 4.45Å; Y84-Y117 AromaticContact CD2-CD1 3.68Å; Y84-Y117 HydrophobicContact CD2-CD1 3.68Å; Y84-Y117 AromaticContact CD2-CE1 3.44Å; Y84-Y117 HydrophobicContact CD2-CE1 3.44Å; Y84-Y117 VanDerWaalsContact CD2-CE1 3.44Å; Y84-Y117 AromaticContact CE2-CD1 3.39Å; Y84-Y117 HydrophobicContact CE2-CD1 3.39Å; Y84-Y117 AromaticContact CE2-CE1 3.7Å; Y84-Y117 HydrophobicContact CE2-CE1 3.7Å; Y84-Y117 HydrophobicContact CE2-CG 4.38Å; Y84-Y117 HydrophobicContact CG-CE1 4.36Å; Q86-Y117 PolarHBondContact OE1-OH 3.43Å; H92-Y117 HydrophobicContact CB-CE2 3.85Å; H92-Y117 WeakPolarHBondContact CB-OH 3.24Å; H92-Y117 VanDerWaalsContact CG-OH 3.22Å; H92-Y117 AromaticContact ND1-CZ 3.92Å; H92-Y117 PolarHBondContact ND1-OH 3.05Å; T93-Y117 CarbonylContact O-C 3.6Å; T93-Y117 WeakPolarHBondContact O-CA 3.25Å; T93-Y117 VanDerWaalsContact O-CD2 3.22Å; T93-Y117 WeakPolarHBondContact O-CD2 3.34Å; Y117-G119 PolarHBondContact O-N 3.46Å; Y117-K120 PolarHBondContact N-O 2.89Å; Y117-K120 PolarHBondContact O-N 2.87Å
118D98.5Very high98.5Very high64 Ų6455.6 Ų55.634%0.34229%0.291SS..THydrogen-bonded Turntrans49.339.8-174.4-66-23.3000113.3H92 T93 K120H92-D118 WeakPolarHBondContact CA-OD1 3.27Å; H92-D118 WeakPolarHBondContact CB-OD1 3.49Å; H92-D118 IonicContact CE1-OD2 3.04Å; H92-D118 IonicContact CG-OD1 3.22Å; H92-D118 IonicContact CG-OD2 3.35Å; H92-D118 IonicContact ND1-OD1 2.9Å; H92-D118 IonicContact ND1-OD2 3.78Å; H92-D118 PolarHBondContact ND1-OD2 2.96Å; T93-D118 PolarHBondContact N-OD1 3.02Å; T93-D118 PolarHBondContact O-N 2.89Å; D118-K120 VanDerWaalsContact C-N 3.31Å; D118-K120 PolarHBondContact O-N 3.01Å
119G98Very high98.5Very high61 Ų6153.5 Ų53.563%0.62928%0.28SS*.THydrogen-bonded Turntrans78.94.9177.500000115.3Y117Y117-G119 PolarHBondContact O-N 3.46Å
120K98.6Very high98.5Very high162 Ų16255.7 Ų55.770%0.70428%0.28SS*.EExtended strand (participates in β ladder)trans-111.2145.2175.6-61.4-177.9-177.6179.20110.7A116 Y117 D118 Y122A116-K120 CarbonylContact C-O 3.54Å; A116-K120 WeakPolarHBondContact CA-O 3.29Å; A116-K120 VanDerWaalsContact CB-O 3.25Å; A116-K120 WeakPolarHBondContact CB-O 3.41Å; Y117-K120 PolarHBondContact N-O 2.89Å; Y117-K120 PolarHBondContact O-N 2.87Å; D118-K120 VanDerWaalsContact C-N 3.31Å; D118-K120 PolarHBondContact O-N 3.01Å; K120-Y122 PolarHBondContact O-N 3.04Å
121D98.8Very high98.5Very high122 Ų12252.6 Ų52.665%0.65227%0.274SS*.EExtended strand (participates in β ladder)trans-52.8137.1173.5-69.6-29.3000110.6A135D121-A135 HydrophobicContact CB-CB 4.43Å; D121-A135 WeakPolarHBondContact O-CB 3.27Å
122Y98.8Very high98.5Very high9 Ų952.8 Ų52.84%0.03527%0.274CS..EExtended strand (participates in β ladder)trans-114.1-61.7179.7179.6-112.8000110.6L80 Y84 Y115 K120 A135 A138 A139 T142L80-Y122 HydrophobicContact CD2-CD1 4.32Å; L80-Y122 HydrophobicContact CD2-CD2 4.05Å; L80-Y122 HydrophobicContact CD2-CE1 3.79Å; L80-Y122 HydrophobicContact CD2-CE2 3.45Å; L80-Y122 VanDerWaalsContact CD2-CE2 3.45Å; L80-Y122 HydrophobicContact CD2-CG 4.44Å; Y84-Y122 HydrophobicContact CE2-CD2 4.49Å; Y84-Y122 HydrophobicContact CE2-CE2 4.18Å; Y84-Y122 VanDerWaalsContact OH-CD2 3.3Å; Y84-Y122 WeakPolarHBondContact OH-CD2 3.38Å; Y84-Y122 WeakPolarHBondContact OH-CE2 3.4Å; Y115-Y122 WeakPolarHBondContact O-CB 3.44Å; Y115-Y122 PolarHBondContact O-N 2.85Å; K120-Y122 PolarHBondContact O-N 3.04Å; Y122-A135 WeakPolarHBondContact O-CB 3.4Å; Y122-A135 PolarHBondContact O-N 2.79Å; Y122-A138 HydrophobicContact CE2-CB 4.37Å; Y122-A138 PolarHBondContact OH-O 3.08Å; Y122-A139 HydrophobicContact CD2-CB 3.83Å; Y122-A139 HydrophobicContact CE1-CB 4.5Å; Y122-A139 VanDerWaalsContact CE2-CA 3.48Å; Y122-A139 HydrophobicContact CE2-CB 3.69Å; Y122-A139 HydrophobicContact CG-CB 4.33Å; Y122-A139 WeakPolarHBondContact O-CB 3.36Å; Y122-T142 HydrophobicContact CE1-CG2 4.21Å; Y122-T142 PolarHBondContact OH-OG1 2.96Å
123I98.8Very high98.5Very high3 Ų355.6 Ų55.62%0.01529%0.292CS..EExtended strand (participates in β ladder)trans-152.8140.1178.4-163.7172.1000110.1Q114 Y115 W132 T133 A139 T142 Q143 W146Q114-I123 WeakPolarHBondContact CA-O 3.4Å; Y115-I123 HydrophobicContact CD2-CG2 4.08Å; Y115-I123 PolarHBondContact N-O 3.02Å; Y115-I123 PolarHBondContact O-N 2.86Å; I123-W132 HydrophobicContact CD1-CB 4.16Å; I123-W132 HydrophobicContact CD1-CD2 4.37Å; I123-W132 HydrophobicContact CD1-CE3 4.17Å; I123-W132 HydrophobicContact CD1-CG 4.39Å; I123-W132 HydrophobicContact CG1-CB 4.28Å; I123-W132 HydrophobicContact CG1-CE3 4Å; I123-T133 WeakPolarHBondContact CA-O 3.49Å; I123-A139 HydrophobicContact CB-CB 4.49Å; I123-T142 HydrophobicContact CD1-CG2 4.18Å; I123-Q143 HydrophobicContact CD1-CB 3.92Å; I123-W146 HydrophobicContact CD1-CE3 4.18Å; I123-W146 HydrophobicContact CD1-CZ3 4.33Å; I123-W146 HydrophobicContact CG2-CH2 3.98Å; I123-W146 HydrophobicContact CG2-CZ3 3.67Å
124A98.8Very high98.5Very high31 Ų3156.9 Ų56.926%0.25630%0.301SS..EExtended strand (participates in β ladder)trans-130.4140.2178.300000111.7Q114 W132 T133Q114-A124 HydrophobicContact CB-CB 3.86Å; A124-W132 CarbonylContact O-C 3.53Å; A124-W132 WeakPolarHBondContact O-CA 3.31Å; A124-T133 PolarHBondContact N-O 3Å; A124-T133 PolarHBondContact O-N 3.38Å
125L98.8Very high98.5Very high14 Ų1456.1 Ų56.17%0.07331%0.308CS..EExtended strand (participates in β ladder)trans-72.6127.5167.5-175.768.1000108.2N113 L129 W132 A152 L155 L159N113-L125 HydrophobicContact CB-CB 3.98Å; N113-L125 HydrophobicContact CB-CD2 4.12Å; N113-L125 WeakPolarHBondContact O-CB 3.34Å; N113-L125 PolarHBondContact O-N 2.92Å; L125-L129 HydrophobicContact CD2-CB 4.45Å; L125-L129 HydrophobicContact CD2-CD2 3.81Å; L125-L129 HydrophobicContact CG-CD2 4.35Å; L125-W132 HydrophobicContact CB-CE3 4.03Å; L125-W132 HydrophobicContact CB-CH2 4.1Å; L125-W132 HydrophobicContact CB-CZ3 3.67Å; L125-W132 HydrophobicContact CD1-CD2 4.21Å; L125-W132 HydrophobicContact CD1-CE3 4.34Å; L125-W132 HydrophobicContact CD1-CH2 4.11Å; L125-W132 HydrophobicContact CD1-CZ2 3.96Å; L125-W132 HydrophobicContact CD1-CZ3 4.27Å; L125-A152 HydrophobicContact CD1-CB 3.94Å; L125-L155 HydrophobicContact CD2-CB 4.21Å; L125-L155 HydrophobicContact CD2-CD1 4.38Å; L125-L159 HydrophobicContact CD2-CD1 4.01Å
126N98.7Very high98.5Very high46 Ų4656.6 Ų56.625%0.24631%0.314CS..  trans-71.1163.3-180-67.8-27.6000111.3D128 L129 S131 T133N126-D128 PolarHBondContact O-N 2.82Å; N126-D128 VanDerWaalsContact O-N 3.07Å; N126-L129 PolarHBondContact O-N 3.31Å; N126-S131 WeakPolarHBondContact CB-O 3.35Å; N126-S131 WeakPolarHBondContact CB-OG 3.36Å; N126-S131 PolarHBondContact N-O 3.21Å; N126-S131 PolarHBondContact ND2-OG 2.77Å; N126-T133 PolarHBondContact ND2-OG1 3.47Å; N126-T133 WeakPolarHBondContact OD1-CB 3.43Å; N126-T133 PolarHBondContact OD1-OG1 3.1Å
127E97.9Very high98.5Very high131 Ų13161.1 Ų61.161%0.61234%0.34SS*.THydrogen-bonded Turntrans-59.3-22-179.6-67.6-179.1-166.800113.6R110 L129R110-E127 VanDerWaalsContact CZ-CD 3.47Å; R110-E127 IonicContact CZ-OE1 2.78Å; R110-E127 IonicContact NE-OE1 2.8Å; R110-E127 IonicContact NH1-OE1 3.16Å; R110-E127 PolarHBondContact NH1-OE1 2.89Å; R110-E127 VanDerWaalsContact NH2-CG 3.32Å; R110-E127 IonicContact NH2-OE1 2.8Å; R110-E127 PolarHBondContact NH2-OE1 2.73Å; E127-L129 PolarHBondContact O-N 2.8Å
128D97.8Very high98.4Very high77 Ų7761 Ų6141%0.41234%0.34SS..THydrogen-bonded Turntrans-70.3-8.6174.1704.5000114N126 R130 S131N126-D128 PolarHBondContact O-N 2.82Å; N126-D128 VanDerWaalsContact O-N 3.07Å; D128-R130 WeakPolarHBondContact O-CG 3.22Å; D128-R130 PolarHBondContact O-N 3Å; D128-R130 PolarHBondContact OD1-N 3.43Å; D128-S131 VanDerWaalsContact CG-OG 3.24Å; D128-S131 PolarHBondContact OD1-N 2.91Å; D128-S131 PolarHBondContact OD1-OG 3.32Å; D128-S131 WeakPolarHBondContact OD2-CB 3.42Å; D128-S131 PolarHBondContact OD2-OG 2.83Å
129L98.3Very high98.4Very high8 Ų857.9 Ų57.94%0.04232%0.324CS..SBendtrans54.127.1-175.3-52.8-177.8000113.8L108 L125 N126 E127 R156 L159 E160L108-L129 HydrophobicContact CD2-CD1 4.23Å; L125-L129 HydrophobicContact CD2-CB 4.45Å; L125-L129 HydrophobicContact CD2-CD2 3.81Å; L125-L129 HydrophobicContact CG-CD2 4.35Å; N126-L129 PolarHBondContact O-N 3.31Å; E127-L129 PolarHBondContact O-N 2.8Å; L129-R156 HydrophobicContact CB-CB 4.07Å; L129-R156 HydrophobicContact CB-CG 3.87Å; L129-R156 HydrophobicContact CD1-CG 4.22Å; L129-L159 HydrophobicContact CD1-CB 4.46Å; L129-L159 HydrophobicContact CD2-CD1 3.96Å; L129-E160 HydrophobicContact CD1-CG 4.23Å
130R97.9Very high98.5Very high162 Ų16258.4 Ų58.461%0.61131%0.31SS*.SBendtrans-134.2-33.2-173.5-71168.8-175.4-102.213.1112.8D128 A152 R156D128-R130 WeakPolarHBondContact O-CG 3.22Å; D128-R130 PolarHBondContact O-N 3Å; D128-R130 PolarHBondContact OD1-N 3.43Å; R130-A152 WeakPolarHBondContact O-CB 3.47Å; R130-R156 VanDerWaalsContact CZ-NH1 3.32Å
131S98.1Very high98.5Very high40 Ų4053.5 Ų53.528%0.2829%0.291SS..  trans-114.9162.9-176.964.40000112.1N126 D128N126-S131 WeakPolarHBondContact CB-O 3.35Å; N126-S131 WeakPolarHBondContact CB-OG 3.36Å; N126-S131 PolarHBondContact N-O 3.21Å; N126-S131 PolarHBondContact ND2-OG 2.77Å; D128-S131 VanDerWaalsContact CG-OG 3.24Å; D128-S131 PolarHBondContact OD1-N 2.91Å; D128-S131 PolarHBondContact OD1-OG 3.32Å; D128-S131 WeakPolarHBondContact OD2-CB 3.42Å; D128-S131 PolarHBondContact OD2-OG 2.83Å
132W98.8Very high98.5Very high9 Ų948.4 Ų48.43%0.03426%0.264CS..EExtended strand (participates in β ladder)trans-119.6144.9-176.8-6293.8000111I123 A124 L125 Q143 W146 V151 A152 L155I123-W132 HydrophobicContact CD1-CB 4.16Å; I123-W132 HydrophobicContact CD1-CD2 4.37Å; I123-W132 HydrophobicContact CD1-CE3 4.17Å; I123-W132 HydrophobicContact CD1-CG 4.39Å; I123-W132 HydrophobicContact CG1-CB 4.28Å; I123-W132 HydrophobicContact CG1-CE3 4Å; A124-W132 CarbonylContact O-C 3.53Å; A124-W132 WeakPolarHBondContact O-CA 3.31Å; L125-W132 HydrophobicContact CB-CE3 4.03Å; L125-W132 HydrophobicContact CB-CH2 4.1Å; L125-W132 HydrophobicContact CB-CZ3 3.67Å; L125-W132 HydrophobicContact CD1-CD2 4.21Å; L125-W132 HydrophobicContact CD1-CE3 4.34Å; L125-W132 HydrophobicContact CD1-CH2 4.11Å; L125-W132 HydrophobicContact CD1-CZ2 3.96Å; L125-W132 HydrophobicContact CD1-CZ3 4.27Å; W132-Q143 HydrophobicContact CB-CG 4.15Å; W132-W146 AromaticContact CD2-CE3 3.9Å; W132-W146 HydrophobicContact CD2-CE3 3.9Å; W132-W146 HydrophobicContact CD2-CZ3 4.41Å; W132-W146 AromaticContact CE2-CE3 3.7Å; W132-W146 AromaticContact CE3-CE3 3.79Å; W132-W146 HydrophobicContact CE3-CE3 3.79Å; W132-W146 AromaticContact CE3-CZ3 3.83Å; W132-W146 HydrophobicContact CE3-CZ3 3.83Å; W132-W146 HydrophobicContact CH2-CD2 4.39Å; W132-W146 AromaticContact CH2-CE3 3.26Å; W132-W146 HydrophobicContact CH2-CE3 3.26Å; W132-W146 HydrophobicContact CH2-CH2 4.41Å; W132-W146 AromaticContact CH2-CZ3 3.28Å; W132-W146 HydrophobicContact CH2-CZ3 3.28Å; W132-W146 HydrophobicContact CZ2-CD2 4.27Å; W132-W146 AromaticContact CZ2-CE3 3.39Å; W132-W146 HydrophobicContact CZ2-CE3 3.39Å; W132-W146 AromaticContact CZ2-CZ3 3.94Å; W132-W146 HydrophobicContact CZ2-CZ3 3.94Å; W132-W146 AromaticContact CZ3-CE3 3.51Å; W132-W146 HydrophobicContact CZ3-CE3 3.51Å; W132-W146 HydrophobicContact CZ3-CH2 4.46Å; W132-W146 AromaticContact CZ3-CZ3 3.25Å; W132-W146 HydrophobicContact CZ3-CZ3 3.25Å; W132-V151 HydrophobicContact CZ2-CB 4.36Å; W132-V151 HydrophobicContact CZ2-CG1 4.08Å; W132-A152 HydrophobicContact CZ2-CB 4.34Å; W132-L155 HydrophobicContact CH2-CD1 3.42Å; W132-L155 VanDerWaalsContact CH2-CD1 3.42Å; W132-L155 HydrophobicContact CZ2-CD1 3.84Å
133T98.8Very high98.5Very high77 Ų7749.7 Ų49.747%0.47227%0.27SS..EExtended strand (participates in β ladder)trans-108.8106.3167.1-65.20000109.1I123 A124 N126I123-T133 WeakPolarHBondContact CA-O 3.49Å; A124-T133 PolarHBondContact N-O 3Å; A124-T133 PolarHBondContact O-N 3.38Å; N126-T133 PolarHBondContact ND2-OG1 3.47Å; N126-T133 WeakPolarHBondContact OD1-CB 3.43Å; N126-T133 PolarHBondContact OD1-OG1 3.1Å
134P98.6Very high98.5Very high32 Ų3257 Ų5721%0.20830%0.298CS..EExtended strand (participates in β ladder)trans-79.1141.6171.434.6-37000110.7A139 Q140 Q143P134-A139 HydrophobicContact CB-CB 3.62Å; P134-Q140 HydrophobicContact CB-CG 3.99Å; P134-Q140 HydrophobicContact CG-CG 3.77Å; P134-Q143 VanDerWaalsContact CG-OE1 3.31Å
135A98.6Very high98.4Very high59 Ų5961 Ų6149%0.48831%0.309SS..SBendtrans-76.9-31.3177.300000112.9D121 Y122D121-A135 HydrophobicContact CB-CB 4.43Å; D121-A135 WeakPolarHBondContact O-CB 3.27Å; Y122-A135 WeakPolarHBondContact O-CB 3.4Å; Y122-A135 PolarHBondContact O-N 2.79Å
136D98.5Very high98.4Very high56 Ų5663 Ų6330%0.29932%0.316SS..SBendtrans-154-173.2-177.866.524.3000113.4Y84 A138 A139 Q140Y84-D136 VanDerWaalsContact CE1-OD2 3.32Å; Y84-D136 WeakPolarHBondContact CE1-OD2 3.48Å; Y84-D136 PolarHBondContact OH-OD1 2.99Å; Y84-D136 PolarHBondContact OH-OD2 2.87Å; D136-A138 VanDerWaalsContact C-N 3.3Å; D136-A138 PolarHBondContact O-N 3.16Å; D136-A138 WeakPolarHBondContact OD1-CA 3.29Å; D136-A138 WeakPolarHBondContact OD1-CB 3.07Å; D136-A138 PolarHBondContact OD1-N 2.88Å; D136-A139 PolarHBondContact O-N 3.27Å; D136-A139 PolarHBondContact OD1-N 2.9Å; D136-Q140 WeakPolarHBondContact O-CG 3.4Å; D136-Q140 PolarHBondContact O-N 3.26Å
137T98.3Very high98.4Very high111 Ų11165.3 Ų65.368%0.68133%0.325SS*.Hα-helixtrans-66-28-179.751.30000113.8
138A98.2Very high98.4Very high6 Ų663.3 Ų63.35%0.0533%0.331CS..Hα-helixtrans-71.2-43.9174.800000109.8Y84 Y122 D136 Q140 I141Y84-A138 HydrophobicContact CD1-CB 4.17Å; Y84-A138 HydrophobicContact CD2-CB 4.47Å; Y84-A138 HydrophobicContact CE1-CB 3.61Å; Y84-A138 HydrophobicContact CE2-CB 3.94Å; Y84-A138 VanDerWaalsContact CZ-CB 3.49Å; Y122-A138 HydrophobicContact CE2-CB 4.37Å; Y122-A138 PolarHBondContact OH-O 3.08Å; D136-A138 VanDerWaalsContact C-N 3.3Å; D136-A138 PolarHBondContact O-N 3.16Å; D136-A138 WeakPolarHBondContact OD1-CA 3.29Å; D136-A138 WeakPolarHBondContact OD1-CB 3.07Å; D136-A138 PolarHBondContact OD1-N 2.88Å; A138-Q140 VanDerWaalsContact C-N 3.28Å; A138-Q140 PolarHBondContact O-N 3.13Å; A138-I141 VanDerWaalsContact O-CB 3.28Å; A138-I141 WeakPolarHBondContact O-CB 3.45Å; A138-I141 PolarHBondContact O-N 3.4Å
139A98.6Very high98.5Very high0 Ų062.4 Ų62.40%033%0.334CS..Hα-helixtrans-61-33.6174.500000113.5Y122 I123 P134 D136 I141 T142 Q143Y122-A139 HydrophobicContact CD2-CB 3.83Å; Y122-A139 HydrophobicContact CE1-CB 4.5Å; Y122-A139 VanDerWaalsContact CE2-CA 3.48Å; Y122-A139 HydrophobicContact CE2-CB 3.69Å; Y122-A139 HydrophobicContact CG-CB 4.33Å; Y122-A139 WeakPolarHBondContact O-CB 3.36Å; I123-A139 HydrophobicContact CB-CB 4.49Å; P134-A139 HydrophobicContact CB-CB 3.62Å; D136-A139 PolarHBondContact O-N 3.27Å; D136-A139 PolarHBondContact OD1-N 2.9Å; A139-I141 PolarHBondContact O-N 3.29Å; A139-T142 WeakPolarHBondContact O-CB 3.33Å; A139-T142 PolarHBondContact O-N 2.88Å; A139-Q143 PolarHBondContact O-N 3.34Å
140Q98.7Very high98.5Very high71 Ų7169.5 Ų69.533%0.33236%0.36SS..Hα-helixtrans-60-28.9173.2-72.9174.114.400113P134 D136 A138 Q143 R144P134-Q140 HydrophobicContact CB-CG 3.99Å; P134-Q140 HydrophobicContact CG-CG 3.77Å; D136-Q140 WeakPolarHBondContact O-CG 3.4Å; D136-Q140 PolarHBondContact O-N 3.26Å; A138-Q140 VanDerWaalsContact C-N 3.28Å; A138-Q140 PolarHBondContact O-N 3.13Å; Q140-Q143 PolarHBondContact O-N 3.29Å; Q140-R144 WeakPolarHBondContact O-CG 3.13Å; Q140-R144 PolarHBondContact O-N 3.05Å; Q140-R144 VanDerWaalsContact O-N 3.09Å
141I98.6Very high98.5Very high60 Ų6063.1 Ų63.131%0.30834%0.34SS..Hα-helixtrans-65.9-44.7174.3-57.1170.7000109.6Y83 A138 A139 K145Y83-I141 HydrophobicContact CD1-CD1 4.04Å; Y83-I141 HydrophobicContact CE1-CD1 4.38Å; Y83-I141 HydrophobicContact CE1-CG2 3.94Å; Y83-I141 HydrophobicContact CE2-CB 4.28Å; Y83-I141 HydrophobicContact CE2-CG2 4.18Å; Y83-I141 HydrophobicContact CG-CD1 4.15Å; A138-I141 VanDerWaalsContact O-CB 3.28Å; A138-I141 WeakPolarHBondContact O-CB 3.45Å; A138-I141 PolarHBondContact O-N 3.4Å; A139-I141 PolarHBondContact O-N 3.29Å; I141-K145 WeakPolarHBondContact O-CG 3.48Å; I141-K145 PolarHBondContact O-N 2.91Å
142T98.6Very high98.5Very high14 Ų1461.7 Ų61.79%0.08633%0.33CS..Hα-helixtrans-64-44.8174.5-69.60000111.4Y122 I123 A139 R144 K145 W146Y122-T142 HydrophobicContact CE1-CG2 4.21Å; Y122-T142 PolarHBondContact OH-OG1 2.96Å; I123-T142 HydrophobicContact CD1-CG2 4.18Å; A139-T142 WeakPolarHBondContact O-CB 3.33Å; A139-T142 PolarHBondContact O-N 2.88Å; T142-R144 PolarHBondContact O-N 2.96Å; T142-K145 WeakPolarHBondContact O-CB 3.42Å; T142-K145 PolarHBondContact O-N 2.84Å; T142-K145 VanDerWaalsContact O-N 3.14Å; T142-W146 HydrophobicContact CG2-CD2 3.65Å; T142-W146 VanDerWaalsContact CG2-CE2 3.48Å; T142-W146 HydrophobicContact CG2-CE3 4.05Å; T142-W146 HydrophobicContact CG2-CG 4.09Å; T142-W146 HydrophobicContact CG2-CH2 4.13Å; T142-W146 HydrophobicContact CG2-CZ2 3.77Å; T142-W146 HydrophobicContact CG2-CZ3 4.27Å; T142-W146 WeakPolarHBondContact O-CB 3.44Å; T142-W146 PolarHBondContact O-N 3.02Å
143Q98.7Very high98.5Very high37 Ų3766.5 Ų66.517%0.17335%0.353CS..Hα-helixtrans-51.8-53.6177.1177.7-178.317.900111.5I123 W132 P134 A139 Q140 K145 W146 E147I123-Q143 HydrophobicContact CD1-CB 3.92Å; W132-Q143 HydrophobicContact CB-CG 4.15Å; P134-Q143 VanDerWaalsContact CG-OE1 3.31Å; A139-Q143 PolarHBondContact O-N 3.34Å; Q140-Q143 PolarHBondContact O-N 3.29Å; Q143-K145 VanDerWaalsContact C-N 3.28Å; Q143-K145 PolarHBondContact O-N 2.72Å; Q143-W146 PolarHBondContact O-N 2.86Å; Q143-E147 HydrophobicContact CG-CG 4.24Å; Q143-E147 VanDerWaalsContact CG-OE1 3.26Å; Q143-E147 WeakPolarHBondContact CG-OE1 3.38Å; Q143-E147 PolarHBondContact NE2-OE1 3.41Å; Q143-E147 WeakPolarHBondContact O-CB 3.43Å; Q143-E147 WeakPolarHBondContact O-CG 3.36Å; Q143-E147 PolarHBondContact O-N 3.06Å
144R98.7Very high98.5Very high157 Ų15769.3 Ų69.359%0.59236%0.361SS*.Hα-helixtrans-58.6-40-179.6-68.8171-167.5156.27.5112.3Q140 T142 A148Q140-R144 WeakPolarHBondContact O-CG 3.13Å; Q140-R144 PolarHBondContact O-N 3.05Å; Q140-R144 VanDerWaalsContact O-N 3.09Å; T142-R144 PolarHBondContact O-N 2.96Å; R144-A148 WeakPolarHBondContact O-CB 2.94Å; R144-A148 PolarHBondContact O-N 3.21Å
145K98.4Very high98.4Very high113 Ų11369.2 Ų69.249%0.49136%0.358SS..Hα-helixtrans-64.3-43.5175.9-71.7178.2176.1-174.50111.4Y83 I141 T142 Q143 A149Y83-K145 PolarHBondContact OH-NZ 2.79Å; I141-K145 WeakPolarHBondContact O-CG 3.48Å; I141-K145 PolarHBondContact O-N 2.91Å; T142-K145 WeakPolarHBondContact O-CB 3.42Å; T142-K145 PolarHBondContact O-N 2.84Å; T142-K145 VanDerWaalsContact O-N 3.14Å; Q143-K145 VanDerWaalsContact C-N 3.28Å; Q143-K145 PolarHBondContact O-N 2.72Å; K145-A149 WeakPolarHBondContact O-CB 3.28Å; K145-A149 PolarHBondContact O-N 2.89Å
146W98.5Very high98.4Very high56 Ų5669.8 Ų69.821%0.21235%0.348CS..Hα-helixtrans-72.9-35-178-75.66.4000113.2Y115 I123 W132 T142 Q143 A149 R150 V151Y115-W146 AromaticContact CD2-CH2 3.71Å; Y115-W146 HydrophobicContact CD2-CH2 3.71Å; Y115-W146 HydrophobicContact CD2-CZ3 4.22Å; Y115-W146 AromaticContact CE2-CH2 3.35Å; Y115-W146 HydrophobicContact CE2-CH2 3.35Å; Y115-W146 HydrophobicContact CE2-CZ2 4.36Å; Y115-W146 AromaticContact CE2-CZ3 3.98Å; Y115-W146 HydrophobicContact CE2-CZ3 3.98Å; Y115-W146 AromaticContact CZ-CH2 3.9Å; I123-W146 HydrophobicContact CD1-CE3 4.18Å; I123-W146 HydrophobicContact CD1-CZ3 4.33Å; I123-W146 HydrophobicContact CG2-CH2 3.98Å; I123-W146 HydrophobicContact CG2-CZ3 3.67Å; W132-W146 AromaticContact CD2-CE3 3.9Å; W132-W146 HydrophobicContact CD2-CE3 3.9Å; W132-W146 HydrophobicContact CD2-CZ3 4.41Å; W132-W146 AromaticContact CE2-CE3 3.7Å; W132-W146 AromaticContact CE3-CE3 3.79Å; W132-W146 HydrophobicContact CE3-CE3 3.79Å; W132-W146 AromaticContact CE3-CZ3 3.83Å; W132-W146 HydrophobicContact CE3-CZ3 3.83Å; W132-W146 HydrophobicContact CH2-CD2 4.39Å; W132-W146 AromaticContact CH2-CE3 3.26Å; W132-W146 HydrophobicContact CH2-CE3 3.26Å; W132-W146 HydrophobicContact CH2-CH2 4.41Å; W132-W146 AromaticContact CH2-CZ3 3.28Å; W132-W146 HydrophobicContact CH2-CZ3 3.28Å; W132-W146 HydrophobicContact CZ2-CD2 4.27Å; W132-W146 AromaticContact CZ2-CE3 3.39Å; W132-W146 HydrophobicContact CZ2-CE3 3.39Å; W132-W146 AromaticContact CZ2-CZ3 3.94Å; W132-W146 HydrophobicContact CZ2-CZ3 3.94Å; W132-W146 AromaticContact CZ3-CE3 3.51Å; W132-W146 HydrophobicContact CZ3-CE3 3.51Å; W132-W146 HydrophobicContact CZ3-CH2 4.46Å; W132-W146 AromaticContact CZ3-CZ3 3.25Å; W132-W146 HydrophobicContact CZ3-CZ3 3.25Å; T142-W146 HydrophobicContact CG2-CD2 3.65Å; T142-W146 VanDerWaalsContact CG2-CE2 3.48Å; T142-W146 HydrophobicContact CG2-CE3 4.05Å; T142-W146 HydrophobicContact CG2-CG 4.09Å; T142-W146 HydrophobicContact CG2-CH2 4.13Å; T142-W146 HydrophobicContact CG2-CZ2 3.77Å; T142-W146 HydrophobicContact CG2-CZ3 4.27Å; T142-W146 WeakPolarHBondContact O-CB 3.44Å; T142-W146 PolarHBondContact O-N 3.02Å; Q143-W146 PolarHBondContact O-N 2.86Å; W146-A149 CarbonylContact O-C 3.59Å; W146-A149 PolarHBondContact O-N 2.67Å; W146-R150 PolarHBondContact O-N 3.12Å; W146-V151 HydrophobicContact CB-CB 3.96Å; W146-V151 HydrophobicContact CB-CG2 3.92Å; W146-V151 HydrophobicContact CD2-CG1 4.32Å; W146-V151 HydrophobicContact CG-CB 4.09Å; W146-V151 HydrophobicContact CG-CG1 4.37Å; W146-V151 HydrophobicContact CG-CG2 3.86Å; W146-V151 PolarHBondContact O-N 3.42Å
147E98.6Very high98.4Very high96 Ų9670.3 Ų70.345%0.44936%0.36SS..Hα-helixtrans-64.8-48171.4-73.3171.217300110.9Q143 A149 R150Q143-E147 HydrophobicContact CG-CG 4.24Å; Q143-E147 VanDerWaalsContact CG-OE1 3.26Å; Q143-E147 WeakPolarHBondContact CG-OE1 3.38Å; Q143-E147 PolarHBondContact NE2-OE1 3.41Å; Q143-E147 WeakPolarHBondContact O-CB 3.43Å; Q143-E147 WeakPolarHBondContact O-CG 3.36Å; Q143-E147 PolarHBondContact O-N 3.06Å; E147-A149 VanDerWaalsContact C-N 3.26Å; E147-A149 PolarHBondContact O-N 3.45Å; E147-R150 PolarHBondContact O-N 2.88Å
148A98.5Very high98.5Very high89 Ų8967.4 Ų67.474%0.73634%0.337SS*.Hα-helixtrans-60.2-36.4176.900000112.6R144R144-A148 WeakPolarHBondContact O-CB 2.94Å; R144-A148 PolarHBondContact O-N 3.21Å
149A98.3Very high98.5Very high58 Ų5867.1 Ų67.148%0.47933%0.334SS..THydrogen-bonded Turntrans-88.52.4177.500000114.2K145 W146 E147 V151K145-A149 WeakPolarHBondContact O-CB 3.28Å; K145-A149 PolarHBondContact O-N 2.89Å; W146-A149 CarbonylContact O-C 3.59Å; W146-A149 PolarHBondContact O-N 2.67Å; E147-A149 VanDerWaalsContact C-N 3.26Å; E147-A149 PolarHBondContact O-N 3.45Å; A149-V151 HydrophobicContact CB-CG2 4.02Å; A149-V151 PolarHBondContact O-N 3.4Å
150R98.3Very high98.5Very high156 Ų15671.5 Ų71.559%0.58936%0.355SS*.THydrogen-bonded Turntrans51.738.8-178.4-61.3176.9172.4-130.97.3114W146 E147 A152 E153W146-R150 PolarHBondContact O-N 3.12Å; E147-R150 PolarHBondContact O-N 2.88Å; R150-A152 PolarHBondContact O-N 2.74Å; R150-E153 HydrophobicContact CB-CG 4.3Å; R150-E153 WeakPolarHBondContact CD-OE1 3.47Å; R150-E153 IonicContact CZ-OE1 3.24Å; R150-E153 IonicContact NE-OE1 3.27Å; R150-E153 IonicContact NH1-OE1 3.35Å; R150-E153 PolarHBondContact NH1-OE1 3.37Å; R150-E153 IonicContact NH1-OE2 2.79Å; R150-E153 PolarHBondContact O-N 3.09Å; R150-E153 VanDerWaalsContact O-N 3.1Å
151V98.5Very high98.5Very high29 Ų2969.1 Ų69.118%0.17635%0.349CS..Hα-helixtrans-59.7-34.8-176.8176.20000112W132 W146 A149 E153 Q154 L155W132-V151 HydrophobicContact CZ2-CB 4.36Å; W132-V151 HydrophobicContact CZ2-CG1 4.08Å; W146-V151 HydrophobicContact CB-CB 3.96Å; W146-V151 HydrophobicContact CB-CG2 3.92Å; W146-V151 HydrophobicContact CD2-CG1 4.32Å; W146-V151 HydrophobicContact CG-CB 4.09Å; W146-V151 HydrophobicContact CG-CG1 4.37Å; W146-V151 HydrophobicContact CG-CG2 3.86Å; W146-V151 PolarHBondContact O-N 3.42Å; A149-V151 HydrophobicContact CB-CG2 4.02Å; A149-V151 PolarHBondContact O-N 3.4Å; V151-E153 VanDerWaalsContact C-N 3.29Å; V151-E153 PolarHBondContact O-N 2.9Å; V151-Q154 PolarHBondContact O-N 2.91Å; V151-L155 HydrophobicContact CG1-CD1 3.97Å; V151-L155 HydrophobicContact CG1-CG 4.23Å; V151-L155 WeakPolarHBondContact O-CG 3.43Å; V151-L155 PolarHBondContact O-N 2.87Å
152A98.5Very high98.4Very high9 Ų971 Ų717%0.07436%0.357CS..Hα-helixtrans-60.3-36.317800000112.8L125 R130 W132 R150 Q154 L155 R156L125-A152 HydrophobicContact CD1-CB 3.94Å; R130-A152 WeakPolarHBondContact O-CB 3.47Å; W132-A152 HydrophobicContact CZ2-CB 4.34Å; R150-A152 PolarHBondContact O-N 2.74Å; A152-Q154 PolarHBondContact O-N 3.14Å; A152-L155 PolarHBondContact O-N 3.15Å; A152-R156 VanDerWaalsContact O-CB 3.23Å; A152-R156 WeakPolarHBondContact O-CB 3.21Å; A152-R156 PolarHBondContact O-N 3.32Å
153E98.3Very high98.5Very high110 Ų11070.3 Ų70.351%0.51435%0.353SS..Hα-helixtrans-64.7-40.2178.5-63.7177.6-163.600111.4R150 V151 A157R150-E153 HydrophobicContact CB-CG 4.3Å; R150-E153 WeakPolarHBondContact CD-OE1 3.47Å; R150-E153 IonicContact CZ-OE1 3.24Å; R150-E153 IonicContact NE-OE1 3.27Å; R150-E153 IonicContact NH1-OE1 3.35Å; R150-E153 PolarHBondContact NH1-OE1 3.37Å; R150-E153 IonicContact NH1-OE2 2.79Å; R150-E153 PolarHBondContact O-N 3.09Å; R150-E153 VanDerWaalsContact O-N 3.1Å; V151-E153 VanDerWaalsContact C-N 3.29Å; V151-E153 PolarHBondContact O-N 2.9Å; E153-A157 PolarHBondContact O-N 3.14Å
154Q97.9Very high98.5Very high136 Ų13668.9 Ų68.964%0.63635%0.346SS*.Hα-helixtrans-67.3-45177.3-59.9178.618.700111.5V151 A152 R156 A157 Y158V151-Q154 PolarHBondContact O-N 2.91Å; A152-Q154 PolarHBondContact O-N 3.14Å; Q154-R156 VanDerWaalsContact C-N 3.34Å; Q154-A157 PolarHBondContact O-N 3.01Å; Q154-Y158 PolarHBondContact O-N 3.28Å; Q154-Y158 VanDerWaalsContact O-N 3.11Å
155L98.4Very high98.4Very high31 Ų3167.5 Ų67.516%0.16235%0.347CS..Hα-helixtrans-64.5-41177.8-69.6176.8000111.7N113 L125 W132 V151 A152 Y158 L159N113-L155 HydrophobicContact CB-CD1 4.18Å; N113-L155 VanDerWaalsContact ND2-CD2 3.3Å; N113-L155 WeakPolarHBondContact ND2-CD2 3.46Å; L125-L155 HydrophobicContact CD2-CB 4.21Å; L125-L155 HydrophobicContact CD2-CD1 4.38Å; W132-L155 HydrophobicContact CH2-CD1 3.42Å; W132-L155 VanDerWaalsContact CH2-CD1 3.42Å; W132-L155 HydrophobicContact CZ2-CD1 3.84Å; V151-L155 HydrophobicContact CG1-CD1 3.97Å; V151-L155 HydrophobicContact CG1-CG 4.23Å; V151-L155 WeakPolarHBondContact O-CG 3.43Å; V151-L155 PolarHBondContact O-N 2.87Å; A152-L155 PolarHBondContact O-N 3.15Å; L155-Y158 PolarHBondContact O-N 3.3Å; L155-L159 WeakPolarHBondContact O-CB 3.49Å; L155-L159 WeakPolarHBondContact O-CG 3.44Å; L155-L159 PolarHBondContact O-N 3.32Å
156R98.5Very high98.5Very high71 Ų7164.7 Ų64.727%0.26833%0.333SS..Hα-helixtrans-60.6-45.3175.5-176.4172.3178.4-127.7-14111.7L129 R130 A152 Q154 Y158 L159 E160L129-R156 HydrophobicContact CB-CB 4.07Å; L129-R156 HydrophobicContact CB-CG 3.87Å; L129-R156 HydrophobicContact CD1-CG 4.22Å; R130-R156 VanDerWaalsContact CZ-NH1 3.32Å; A152-R156 VanDerWaalsContact O-CB 3.23Å; A152-R156 WeakPolarHBondContact O-CB 3.21Å; A152-R156 PolarHBondContact O-N 3.32Å; Q154-R156 VanDerWaalsContact C-N 3.34Å; R156-Y158 VanDerWaalsContact C-N 3.31Å; R156-Y158 PolarHBondContact O-N 2.73Å; R156-L159 PolarHBondContact O-N 3.3Å; R156-E160 HydrophobicContact CG-CG 4.12Å; R156-E160 IonicContact CZ-OE1 3.75Å; R156-E160 VanDerWaalsContact CZ-OE1 3.27Å; R156-E160 IonicContact CZ-OE2 2.89Å; R156-E160 VanDerWaalsContact NE-CD 3.34Å; R156-E160 IonicContact NE-OE1 3.55Å; R156-E160 PolarHBondContact NE-OE1 2.87Å; R156-E160 IonicContact NE-OE2 3.57Å; R156-E160 PolarHBondContact NE-OE2 3.17Å; R156-E160 IonicContact NH2-OE1 3.6Å; R156-E160 PolarHBondContact NH2-OE1 3Å; R156-E160 IonicContact NH2-OE2 2.79Å; R156-E160 PolarHBondContact NH2-OE2 3.29Å; R156-E160 WeakPolarHBondContact O-CB 3.4Å; R156-E160 WeakPolarHBondContact O-CG 3.09Å; R156-E160 PolarHBondContact O-N 2.89Å
157A98.6Very high98.5Very high66 Ų6662 Ų6255%0.54532%0.323SS..Hα-helixtrans-58.7-42.8176.500000112.1E153 Q154 G161E153-A157 PolarHBondContact O-N 3.14Å; Q154-A157 PolarHBondContact O-N 3.01Å; A157-G161 PolarHBondContact O-N 3.05Å
158Y98.5Very high98.5Very high50 Ų5063 Ų6320%0.19632%0.323CS..Hα-helixtrans-64.7-47.5174.5170.4-97.8000112.6Y98 Q154 L155 R156 G161 E162 C163Y98-Y158 AromaticContact CD2-CE1 3.87Å; Y98-Y158 HydrophobicContact CD2-CE1 3.87Å; Y98-Y158 AromaticContact CE2-CE1 3.81Å; Y98-Y158 HydrophobicContact CE2-CE1 3.81Å; Q154-Y158 PolarHBondContact O-N 3.28Å; Q154-Y158 VanDerWaalsContact O-N 3.11Å; L155-Y158 PolarHBondContact O-N 3.3Å; R156-Y158 VanDerWaalsContact C-N 3.31Å; R156-Y158 PolarHBondContact O-N 2.73Å; Y158-G161 CarbonylContact O-C 3.55Å; Y158-G161 PolarHBondContact O-N 2.75Å; Y158-E162 HydrophobicContact CD2-CB 3.84Å; Y158-E162 HydrophobicContact CE2-CB 4.06Å; Y158-E162 PolarHBondContact O-N 3.03Å; Y158-C163 HydrophobicContact CD1-CB 4.26Å; Y158-C163 HydrophobicContact CE1-CB 3.81Å; Y158-C163 WeakPolarHBondContact O-CB 3.35Å; Y158-C163 PolarHBondContact O-N 3.02Å
159L98.7Very high98.5Very high0 Ų064.3 Ų64.30%031%0.308CS..Hα-helixtrans-69.7-37.1-174.7-70.9170.9000112.8G99 L125 L129 L155 R156 V164G99-L159 WeakPolarHBondContact O-CD2 3.04Å; L125-L159 HydrophobicContact CD2-CD1 4.01Å; L129-L159 HydrophobicContact CD1-CB 4.46Å; L129-L159 HydrophobicContact CD2-CD1 3.96Å; L155-L159 WeakPolarHBondContact O-CB 3.49Å; L155-L159 WeakPolarHBondContact O-CG 3.44Å; L155-L159 PolarHBondContact O-N 3.32Å; R156-L159 PolarHBondContact O-N 3.3Å; L159-V164 WeakPolarHBondContact O-CG2 3.47Å
160E98.4Very high98.5Very high92 Ų9261.6 Ų61.643%0.4329%0.286SS..Hα-helixtrans-80.9-24.3176.8-68.6-179.5166.800112.9L108 L129 R156L108-E160 HydrophobicContact CD2-CB 4.42Å; L108-E160 HydrophobicContact CD2-CG 3.69Å; L129-E160 HydrophobicContact CD1-CG 4.23Å; R156-E160 HydrophobicContact CG-CG 4.12Å; R156-E160 IonicContact CZ-OE1 3.75Å; R156-E160 VanDerWaalsContact CZ-OE1 3.27Å; R156-E160 IonicContact CZ-OE2 2.89Å; R156-E160 VanDerWaalsContact NE-CD 3.34Å; R156-E160 IonicContact NE-OE1 3.55Å; R156-E160 PolarHBondContact NE-OE1 2.87Å; R156-E160 IonicContact NE-OE2 3.57Å; R156-E160 PolarHBondContact NE-OE2 3.17Å; R156-E160 IonicContact NH2-OE1 3.6Å; R156-E160 PolarHBondContact NH2-OE1 3Å; R156-E160 IonicContact NH2-OE2 2.79Å; R156-E160 PolarHBondContact NH2-OE2 3.29Å; R156-E160 WeakPolarHBondContact O-CB 3.4Å; R156-E160 WeakPolarHBondContact O-CG 3.09Å; R156-E160 PolarHBondContact O-N 2.89Å
161G98.4Very high98.5Very high21 Ų2154.9 Ų54.922%0.21626%0.261CS..THydrogen-bonded Turntrans-108.2-97.4-178.300000112.8A157 Y158 C163 V164 E165A157-G161 PolarHBondContact O-N 3.05Å; Y158-G161 CarbonylContact O-C 3.55Å; Y158-G161 PolarHBondContact O-N 2.75Å; G161-C163 VanDerWaalsContact C-N 3.29Å; G161-C163 PolarHBondContact O-N 2.88Å; G161-C163 VanDerWaalsContact O-N 3.14Å; G161-V164 PolarHBondContact O-N 3.47Å; G161-E165 WeakPolarHBondContact O-CG 3.46Å; G161-E165 PolarHBondContact O-N 2.95Å
162E98.3Very high98.5Very high100 Ų10058.3 Ų58.347%0.46728%0.276SS..Hα-helixtrans-52-41.7-169.8-70.2-175.1-138.700113.7Y158 V164 E165 W166Y158-E162 HydrophobicContact CD2-CB 3.84Å; Y158-E162 HydrophobicContact CE2-CB 4.06Å; Y158-E162 PolarHBondContact O-N 3.03Å; E162-V164 PolarHBondContact O-N 3.49Å; E162-E165 PolarHBondContact O-N 2.81Å; E162-W166 WeakPolarHBondContact O-CB 3.44Å; E162-W166 PolarHBondContact O-N 3.41Å
163C98.8Very high98.5Very high0 Ų060.3 Ų60.30%029%0.285CS..Hα-helixtrans-58.7-48.2179.1-172.40000111.5M4 C100 Y158 G161 L167M4-C163 HydrophobicContact CE-CB 4.18Å; M4-C163 WeakPolarHBondContact CE-O 3.37Å; M4-C163 VanDerWaalsContact CE-SG 3.51Å; C100-C163 HydrophobicContact CB-CB 3.93Å; C100-C163 WeakPolarHBondContact CB-SG 3.33Å; C100-C163 PolarHBondContact N-SG 3.2Å; C100-C163 WeakPolarHBondContact SG-CB 3.39Å; C100-C163 PolarHBondContact SG-O 3.27Å; C100-C163 VanDerWaalsContact SG-O 3.41Å; C100-C163 CovalentContact SG-SG 2.05Å; C100-C163 PolarHBondContact SG-SG 2.98Å; Y158-C163 HydrophobicContact CD1-CB 4.26Å; Y158-C163 HydrophobicContact CE1-CB 3.81Å; Y158-C163 WeakPolarHBondContact O-CB 3.35Å; Y158-C163 PolarHBondContact O-N 3.02Å; G161-C163 VanDerWaalsContact C-N 3.29Å; G161-C163 PolarHBondContact O-N 2.88Å; G161-C163 VanDerWaalsContact O-N 3.14Å; C163-L167 VanDerWaalsContact O-CB 3.31Å; C163-L167 WeakPolarHBondContact O-CB 3.47Å; C163-L167 PolarHBondContact O-N 3.28Å
164V98.8Very high98.4Very high6 Ų655.2 Ų55.24%0.03626%0.262CS..Hα-helixtrans-68.9-41.2-179.1172.60000110.8C100 V102 G106 L108 L159 G161 E162 L167 R168C100-V164 HydrophobicContact CB-CG2 4.26Å; V102-V164 HydrophobicContact CG1-CB 4.47Å; V102-V164 HydrophobicContact CG1-CG1 4.03Å; V102-V164 HydrophobicContact CG1-CG2 4Å; G106-V164 WeakPolarHBondContact O-CG1 3.43Å; L108-V164 HydrophobicContact CB-CG2 4.07Å; L108-V164 HydrophobicContact CD1-CG2 3.82Å; L159-V164 WeakPolarHBondContact O-CG2 3.47Å; G161-V164 PolarHBondContact O-N 3.47Å; E162-V164 PolarHBondContact O-N 3.49Å; V164-L167 PolarHBondContact O-N 2.87Å; V164-R168 VanDerWaalsContact O-CG 3.31Å; V164-R168 WeakPolarHBondContact O-CG 3.2Å; V164-R168 PolarHBondContact O-N 2.94Å
165E98.6Very high98.4Very high129 Ų12953.6 Ų53.660%0.60325%0.253SS*.Hα-helixtrans-62-47.4178-70.3178.4176.200111.9G161 E162 R168 R169G161-E165 WeakPolarHBondContact O-CG 3.46Å; G161-E165 PolarHBondContact O-N 2.95Å; E162-E165 PolarHBondContact O-N 2.81Å; E165-R168 PolarHBondContact O-N 3.26Å; E165-R169 PolarHBondContact O-N 3.47Å
166W98.6Very high98.3Very high53 Ų5359.7 Ų59.720%0.20128%0.28CS..Hα-helixtrans-65.8-42.6176.6-81.1110000112.2M4 Y58 E162 R168 R169 Y170M4-W166 HydrophobicContact CE-CB 4.12Å; M4-W166 HydrophobicContact SD-CB 4.49Å; Y58-W166 AromaticContact CD2-CH2 3.64Å; Y58-W166 HydrophobicContact CD2-CH2 3.64Å; Y58-W166 HydrophobicContact CD2-CZ2 4.22Å; Y58-W166 HydrophobicContact CD2-CZ3 4.01Å; Y58-W166 HydrophobicContact CE2-CE3 4.38Å; Y58-W166 AromaticContact CE2-CH2 3.91Å; Y58-W166 HydrophobicContact CE2-CH2 3.91Å; Y58-W166 HydrophobicContact CE2-CZ2 4.39Å; Y58-W166 AromaticContact CE2-CZ3 3.89Å; Y58-W166 HydrophobicContact CE2-CZ3 3.89Å; E162-W166 WeakPolarHBondContact O-CB 3.44Å; E162-W166 PolarHBondContact O-N 3.41Å; W166-R168 VanDerWaalsContact C-N 3.32Å; W166-R168 PolarHBondContact O-N 3.24Å; W166-R169 WeakPolarHBondContact O-CB 3.47Å; W166-R169 PolarHBondContact O-N 2.95Å; W166-Y170 HydrophobicContact CB-CE2 3.97Å; 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 4.41Å; W166-Y170 AromaticContact CE3-CZ 3.47Å; W166-Y170 VanDerWaalsContact CE3-CZ 3.47Å; W166-Y170 VanDerWaalsContact CE3-OH 3.26Å; W166-Y170 AromaticContact CZ3-CE1 3.91Å; W166-Y170 HydrophobicContact CZ3-CE1 3.91Å; W166-Y170 VanDerWaalsContact O-CD2 3.26Å; W166-Y170 WeakPolarHBondContact O-CD2 3.46Å; W166-Y170 PolarHBondContact O-N 2.89Å
167L98.8Very high98.1Very high0 Ų058.4 Ų58.40%028%0.28CS..Hα-helixtrans-58.3-45.3176.1174.253.3000111.2H2 M4 V27 V102 C163 V164 R169 Y170 L171H2-L167 HydrophobicContact CB-CD1 4.4Å; M4-L167 HydrophobicContact CB-CB 4.05Å; M4-L167 HydrophobicContact CB-CD1 4.01Å; M4-L167 HydrophobicContact CB-CD2 4.1Å; M4-L167 HydrophobicContact CB-CG 4.26Å; M4-L167 HydrophobicContact CE-CB 4.42Å; V27-L167 HydrophobicContact CG1-CD1 3.61Å; V27-L167 HydrophobicContact CG2-CD1 4.25Å; V102-L167 HydrophobicContact CB-CD2 4.36Å; V102-L167 HydrophobicContact CG1-CD2 3.95Å; V102-L167 HydrophobicContact CG2-CD2 3.59Å; V102-L167 HydrophobicContact CG2-CG 4.23Å; C163-L167 VanDerWaalsContact O-CB 3.31Å; C163-L167 WeakPolarHBondContact O-CB 3.47Å; C163-L167 PolarHBondContact O-N 3.28Å; V164-L167 PolarHBondContact O-N 2.87Å; L167-R169 PolarHBondContact O-N 2.79Å; L167-Y170 PolarHBondContact O-N 2.93Å; L167-L171 HydrophobicContact CD1-CD1 3.92Å; L167-L171 HydrophobicContact CD1-CD2 4.41Å; L167-L171 HydrophobicContact CD1-CG 3.9Å; L167-L171 HydrophobicContact CG-CD1 4.05Å; L167-L171 HydrophobicContact CG-CG 4.48Å; L167-L171 VanDerWaalsContact O-CG 3.27Å; L167-L171 WeakPolarHBondContact O-CG 3.18Å; L167-L171 PolarHBondContact O-N 2.8Å
168R98.5Very high98Very high118 Ų11855.4 Ų55.445%0.44526%0.255SS..Hα-helixtrans-60.4-44175.8-72.2175-174.2177.73.6112.3G106 V164 E165 W166 Y170 L171 E172G106-R168 VanDerWaalsContact C-NH2 3.28Å; G106-R168 PolarHBondContact O-NE 3Å; G106-R168 PolarHBondContact O-NH2 3.38Å; V164-R168 VanDerWaalsContact O-CG 3.31Å; V164-R168 WeakPolarHBondContact O-CG 3.2Å; V164-R168 PolarHBondContact O-N 2.94Å; E165-R168 PolarHBondContact O-N 3.26Å; W166-R168 VanDerWaalsContact C-N 3.32Å; W166-R168 PolarHBondContact O-N 3.24Å; R168-Y170 PolarHBondContact O-N 2.71Å; R168-L171 PolarHBondContact O-N 3.35Å; R168-E172 PolarHBondContact O-N 3.44Å; R168-E172 VanDerWaalsContact O-N 3.07Å
169R98.4Very high97.9Very high115 Ų11558.1 Ų58.143%0.43427%0.27SS..Hα-helixtrans-59.8-45.5175.9177.3177.6172.899.1-6.6111.3E54 E165 W166 L167 E172 N173E54-R169 IonicContact OE1-CZ 2.93Å; E54-R169 IonicContact OE1-NE 2.85Å; E54-R169 PolarHBondContact OE1-NE 3.36Å; E54-R169 IonicContact OE1-NH2 2.9Å; E54-R169 PolarHBondContact OE1-NH2 3.48Å; E54-R169 VanDerWaalsContact OE1-NH2 3.16Å; E54-R169 IonicContact OE2-CZ 3.72Å; E54-R169 IonicContact OE2-NE 3.87Å; E54-R169 PolarHBondContact OE2-NE 2.9Å; E54-R169 IonicContact OE2-NH2 3.71Å; E54-R169 PolarHBondContact OE2-NH2 3.12Å; E165-R169 PolarHBondContact O-N 3.47Å; W166-R169 WeakPolarHBondContact O-CB 3.47Å; W166-R169 PolarHBondContact O-N 2.95Å; L167-R169 PolarHBondContact O-N 2.79Å; R169-E172 PolarHBondContact O-N 2.84Å; R169-N173 WeakPolarHBondContact O-CB 3.44Å; R169-N173 PolarHBondContact O-N 2.93Å; R169-N173 PolarHBondContact O-ND2 3.13Å; R169-N173 PolarHBondContact O-OD1 3.41Å
170Y98.6Very high97.8Very high2 Ų263.6 Ų63.61%0.00829%0.29CS..Hα-helixtrans-65.6-39.1178.9-60-28.5000112.4M4 V27 F32 W50 I51 Y58 W166 L167 R168 E172 N173 G174 L178M4-Y170 HydrophobicContact SD-CD2 3.75Å; M4-Y170 HydrophobicContact SD-CE2 3.52Å; M4-Y170 VanDerWaalsContact SD-CE2 3.52Å; V27-Y170 HydrophobicContact CG2-CD2 3.99Å; F32-Y170 HydrophobicContact CE2-CD2 4.44Å; F32-Y170 AromaticContact CE2-CE2 3.83Å; F32-Y170 HydrophobicContact CE2-CE2 3.83Å; F32-Y170 HydrophobicContact CZ-CD2 4.45Å; F32-Y170 AromaticContact CZ-CE2 3.9Å; F32-Y170 HydrophobicContact CZ-CE2 3.9Å; W50-Y170 HydrophobicContact CE3-CD1 4.3Å; W50-Y170 HydrophobicContact CE3-CG 4.45Å; W50-Y170 HydrophobicContact CH2-CD2 4.43Å; W50-Y170 HydrophobicContact CH2-CG 4.11Å; W50-Y170 AromaticContact CZ3-CD1 3.65Å; W50-Y170 HydrophobicContact CZ3-CD1 3.65Å; W50-Y170 HydrophobicContact CZ3-CD2 4.22Å; W50-Y170 HydrophobicContact CZ3-CE1 4.39Å; W50-Y170 AromaticContact CZ3-CG 3.56Å; W50-Y170 HydrophobicContact CZ3-CG 3.56Å; I51-Y170 HydrophobicContact CD1-CD1 3.84Å; I51-Y170 HydrophobicContact CD1-CE1 3.26Å; Y58-Y170 VanDerWaalsContact CE2-OH 3.32Å; Y58-Y170 WeakPolarHBondContact CE2-OH 3.13Å; Y58-Y170 PolarHBondContact OH-OH 2.82Å; W166-Y170 HydrophobicContact CB-CE2 3.97Å; 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 4.41Å; W166-Y170 AromaticContact CE3-CZ 3.47Å; W166-Y170 VanDerWaalsContact CE3-CZ 3.47Å; W166-Y170 VanDerWaalsContact CE3-OH 3.26Å; W166-Y170 AromaticContact CZ3-CE1 3.91Å; W166-Y170 HydrophobicContact CZ3-CE1 3.91Å; W166-Y170 VanDerWaalsContact O-CD2 3.26Å; W166-Y170 WeakPolarHBondContact O-CD2 3.46Å; W166-Y170 PolarHBondContact O-N 2.89Å; L167-Y170 PolarHBondContact O-N 2.93Å; R168-Y170 PolarHBondContact O-N 2.71Å; Y170-E172 VanDerWaalsContact C-N 3.32Å; Y170-E172 PolarHBondContact O-N 3.21Å; Y170-N173 PolarHBondContact O-N 3.45Å; Y170-G174 WeakPolarHBondContact O-CA 3.34Å; Y170-G174 PolarHBondContact O-N 3.03Å; Y170-L178 WeakPolarHBondContact O-CD1 3.4Å
171L98.5Very high97.8Very high14 Ų1460.7 Ų60.77%0.07328%0.282CS..Hα-helixtrans-63.1-36.8175.2-70.8169.7000112.6H2 V27 L167 R168 K175 L178 Q179H2-L171 HydrophobicContact CB-CD1 3.72Å; H2-L171 HydrophobicContact CB-CD2 3.97Å; H2-L171 HydrophobicContact CB-CG 4.42Å; H2-L171 VanDerWaalsContact CG-CD2 3.47Å; H2-L171 WeakPolarHBondContact ND1-CD2 3.31Å; V27-L171 HydrophobicContact CG1-CD2 4.1Å; L167-L171 HydrophobicContact CD1-CD1 3.92Å; L167-L171 HydrophobicContact CD1-CD2 4.41Å; L167-L171 HydrophobicContact CD1-CG 3.9Å; L167-L171 HydrophobicContact CG-CD1 4.05Å; L167-L171 HydrophobicContact CG-CG 4.48Å; L167-L171 VanDerWaalsContact O-CG 3.27Å; L167-L171 WeakPolarHBondContact O-CG 3.18Å; L167-L171 PolarHBondContact O-N 2.8Å; R168-L171 PolarHBondContact O-N 3.35Å; L171-K175 VanDerWaalsContact O-CA 3.26Å; L171-K175 WeakPolarHBondContact O-CA 3.29Å; L171-K175 WeakPolarHBondContact O-CB 3.37Å; L171-K175 PolarHBondContact O-N 3.47Å; L171-K175 VanDerWaalsContact O-N 3.13Å; L171-L178 HydrophobicContact CD2-CB 4.07Å; L171-L178 HydrophobicContact CD2-CD1 4.38Å; L171-Q179 PolarHBondContact O-NE2 2.9Å
172E98.3Very high97.8Very high102 Ų10261.4 Ų61.448%0.47728%0.281SS..Hα-helixtrans-70.9-48.7174.2-178.355.1-143.200111.2R168 R169 Y170 G174 K175R168-E172 PolarHBondContact O-N 3.44Å; R168-E172 VanDerWaalsContact O-N 3.07Å; R169-E172 PolarHBondContact O-N 2.84Å; Y170-E172 VanDerWaalsContact C-N 3.32Å; Y170-E172 PolarHBondContact O-N 3.21Å; E172-G174 VanDerWaalsContact C-N 3.3Å; E172-G174 PolarHBondContact O-N 3.14Å; E172-K175 WeakPolarHBondContact O-CB 3.35Å; E172-K175 WeakPolarHBondContact O-CG 3.46Å; E172-K175 PolarHBondContact O-N 2.87Å; E172-K175 IonicContact OE1-NZ 3.89Å; E172-K175 PolarHBondContact OE1-NZ 3.39Å
173N98.1Very high97.9Very high50 Ų5059.6 Ų59.627%0.26728%0.278SS..Hα-helixtrans-59.5-40.4179.8-69-10000112.4W50 Q53 E54 R169 Y170W50-N173 HydrophobicContact CB-CB 4.41Å; Q53-N173 VanDerWaalsContact NE2-CB 3.26Å; Q53-N173 PolarHBondContact NE2-ND2 3.36Å; Q53-N173 PolarHBondContact NE2-OD1 2.98Å; Q53-N173 VanDerWaalsContact NE2-OD1 3.13Å; E54-N173 PolarHBondContact OE1-ND2 2.74Å; R169-N173 WeakPolarHBondContact O-CB 3.44Å; R169-N173 PolarHBondContact O-N 2.93Å; R169-N173 PolarHBondContact O-ND2 3.13Å; R169-N173 PolarHBondContact O-OD1 3.41Å; Y170-N173 PolarHBondContact O-N 3.45Å
174G97.8Very high97.9Very high3 Ų360 Ų603%0.03128%0.281CS..THydrogen-bonded Turntrans-100.514-176.300000114.5Y170 E172 E176 T177 L178Y170-G174 WeakPolarHBondContact O-CA 3.34Å; Y170-G174 PolarHBondContact O-N 3.03Å; E172-G174 VanDerWaalsContact C-N 3.3Å; E172-G174 PolarHBondContact O-N 3.14Å; G174-E176 VanDerWaalsContact C-N 3.25Å; G174-E176 PolarHBondContact O-N 3.06Å; G174-E176 VanDerWaalsContact O-N 3.08Å; G174-T177 CarbonylContact O-C 3.59Å; G174-T177 WeakPolarHBondContact O-CA 3.46Å; G174-T177 PolarHBondContact O-N 3.31Å; G174-T177 PolarHBondContact O-OG1 2.63Å; G174-L178 PolarHBondContact O-N 2.85Å
175K96.9Very high97.9Very high103 Ų10367.2 Ų67.245%0.44831%0.312SS..Hα-helixtrans-51.3-37.1-168.965.8-174.5169.6-161.40115.4L171 E172 T177 Q179L171-K175 VanDerWaalsContact O-CA 3.26Å; L171-K175 WeakPolarHBondContact O-CA 3.29Å; L171-K175 WeakPolarHBondContact O-CB 3.37Å; L171-K175 PolarHBondContact O-N 3.47Å; L171-K175 VanDerWaalsContact O-N 3.13Å; E172-K175 WeakPolarHBondContact O-CB 3.35Å; E172-K175 WeakPolarHBondContact O-CG 3.46Å; E172-K175 PolarHBondContact O-N 2.87Å; E172-K175 IonicContact OE1-NZ 3.89Å; E172-K175 PolarHBondContact OE1-NZ 3.39Å; K175-T177 PolarHBondContact O-N 3.25Å; K175-T177 VanDerWaalsContact O-N 3.16Å; K175-Q179 PolarHBondContact O-N 2.84Å
176E95.4Very high97.9Very high158 Ų15862.8 Ų62.874%0.73829%0.293SS*.Hα-helixtrans-62.6-24.1179.7-62-174.2167.300113G174 R180G174-E176 VanDerWaalsContact C-N 3.25Å; G174-E176 PolarHBondContact O-N 3.06Å; G174-E176 VanDerWaalsContact O-N 3.08Å; E176-R180 PolarHBondContact O-NH1 2.86Å
177T95.3Very high97.9Very high44 Ų4464 Ų6427%0.2730%0.301SS..Hα-helixtrans-107-65.1178.655.60000110.3G174 K175 Q179 R180 R238G174-T177 CarbonylContact O-C 3.59Å; G174-T177 WeakPolarHBondContact O-CA 3.46Å; G174-T177 PolarHBondContact O-N 3.31Å; G174-T177 PolarHBondContact O-OG1 2.63Å; K175-T177 PolarHBondContact O-N 3.25Å; K175-T177 VanDerWaalsContact O-N 3.16Å; T177-Q179 VanDerWaalsContact C-N 3.29Å; T177-Q179 PolarHBondContact O-N 2.83Å; T177-R180 WeakPolarHBondContact O-CB 3.42Å; T177-R180 PolarHBondContact O-N 3.09Å; T177-R238 VanDerWaalsContact CB-NH1 3.27Å; T177-R238 PolarHBondContact O-NH1 3.39Å; T177-R238 PolarHBondContact O-NH2 3.18Å
178L96.8Very high97.9Very high4 Ų465.1 Ų65.12%0.02131%0.308CS..Hα-helixtrans-63.3-28.9-168.3-62.5174.1000114.3V27 T30 W50 Y170 L171 G174V27-L178 HydrophobicContact CB-CD1 4.31Å; V27-L178 HydrophobicContact CB-CD2 4.18Å; V27-L178 HydrophobicContact CG1-CD1 3.94Å; V27-L178 HydrophobicContact CG1-CD2 4.1Å; T30-L178 HydrophobicContact CG2-CD2 4.05Å; W50-L178 HydrophobicContact CD2-CD1 4.39Å; W50-L178 HydrophobicContact CH2-CD1 4.42Å; W50-L178 HydrophobicContact CZ2-CD1 3.85Å; W50-L178 HydrophobicContact CZ2-CD2 4.24Å; W50-L178 HydrophobicContact CZ2-CG 4.48Å; Y170-L178 WeakPolarHBondContact O-CD1 3.4Å; L171-L178 HydrophobicContact CD2-CB 4.07Å; L171-L178 HydrophobicContact CD2-CD1 4.38Å; G174-L178 PolarHBondContact O-N 2.85Å
179Q96.4Very high97.9Very high107 Ų10761 Ų6150%0.530%0.296SS..THydrogen-bonded Turntrans-98.511178.5-57.9-175.837.600112.7L171 K175 T177L171-Q179 PolarHBondContact O-NE2 2.9Å; K175-Q179 PolarHBondContact O-N 2.84Å; T177-Q179 VanDerWaalsContact C-N 3.29Å; T177-Q179 PolarHBondContact O-N 2.83Å
180R97.2Very high97.8Very high114 Ų11457.8 Ų57.843%0.4329%0.286SS..  trans-108.2120178-168.9-175.977.4-141.65.6110.2E176 T177 D182 Y208E176-R180 PolarHBondContact O-NH1 2.86Å; T177-R180 WeakPolarHBondContact O-CB 3.42Å; T177-R180 PolarHBondContact O-N 3.09Å; R180-D182 IonicContact CZ-OD1 2.94Å; R180-D182 IonicContact CZ-OD2 2.73Å; R180-D182 IonicContact NE-OD1 2.79Å; R180-D182 PolarHBondContact NE-OD1 2.81Å; R180-D182 IonicContact NE-OD2 3.7Å; R180-D182 IonicContact NH2-OD1 2.67Å; R180-D182 PolarHBondContact NH2-OD1 2.9Å; R180-D182 IonicContact NH2-OD2 3.67Å; R180-D182 PolarHBondContact NH2-OD2 3.07Å; R180-Y208 WeakPolarHBondContact O-CD1 3.47Å
181A98.2Very high97.8Very high32 Ų3261.5 Ų61.526%0.26430%0.303SS..  trans-87.3126.5166.300000109.8Y208 E263A181-Y208 CarbonylContact C-O 3.53Å; A181-Y208 VanDerWaalsContact CA-O 3.28Å; A181-Y208 WeakPolarHBondContact CA-O 3.26Å; A181-E263 HydrophobicContact CB-CG 3.94Å; A181-E263 WeakPolarHBondContact CB-OE1 3.41Å
182D98.4Very high97.7Very high35 Ų3565.6 Ų65.619%0.18733%0.331CS..BIsolated β-bridgetrans-97.3115174.1-67.3-34.9000107.6R180 F207 Y208 H262R180-D182 IonicContact CZ-OD1 2.94Å; R180-D182 IonicContact CZ-OD2 2.73Å; R180-D182 IonicContact NE-OD1 2.79Å; R180-D182 PolarHBondContact NE-OD1 2.81Å; R180-D182 IonicContact NE-OD2 3.7Å; R180-D182 IonicContact NH2-OD1 2.67Å; R180-D182 PolarHBondContact NH2-OD1 2.9Å; R180-D182 IonicContact NH2-OD2 3.67Å; R180-D182 PolarHBondContact NH2-OD2 3.07Å; D182-F207 CarbonylContact O-C 3.51Å; D182-F207 WeakPolarHBondContact O-CA 3.44Å; D182-F207 WeakPolarHBondContact O-CB 3.43Å; D182-Y208 PolarHBondContact N-O 2.9Å; D182-Y208 PolarHBondContact O-N 3.24Å; D182-H262 PolarHBondContact O-CE1 2.9Å
183P98.6Very high97.5Very high62 Ų6265.3 Ų65.340%0.40333%0.331SS..  trans-70.9149.8-176.226.1-33.1000112.7K185 L265P183-K185 PolarHBondContact O-N 3.03Å; P183-L265 HydrophobicContact CB-CD2 3.92Å; P183-L265 HydrophobicContact CB-CG 4.43Å
184P98.8Very high97.4Very high10 Ų1065.3 Ų65.37%0.06534%0.335CS..  trans-67.5132.8179.628.4-35.6000111.9T186 A204 F207 I212 V260 H262 L265P184-T186 HydrophobicContact CB-CG2 3.98Å; P184-T186 HydrophobicContact CG-CG2 4.18Å; P184-T186 PolarHBondContact O-N 2.85Å; P184-A204 HydrophobicContact CB-CB 3.85Å; P184-F207 HydrophobicContact CB-CB 3.85Å; P184-F207 HydrophobicContact CB-CD1 3.94Å; P184-F207 HydrophobicContact CB-CG 4.17Å; P184-I212 HydrophobicContact CB-CD1 4Å; P184-I212 HydrophobicContact CG-CD1 4.06Å; P184-V260 HydrophobicContact CG-CG1 3.94Å; P184-H262 HydrophobicContact CG-CB 4.02Å; P184-L265 HydrophobicContact CG-CD1 3.91Å; P184-L265 HydrophobicContact CG-CD2 4.49Å; P184-L265 HydrophobicContact CG-CG 4.26Å
185K98.8Very high97.2Very high157 Ų15772.4 Ų72.468%0.68337%0.372SS*.EExtended strand (participates in β ladder)trans-77.9114.7162.8-63.3173.6-173.1170.10107.7P183 L205P183-K185 PolarHBondContact O-N 3.03Å; K185-L205 PolarHBondContact N-O 2.81Å; K185-L205 PolarHBondContact O-N 3.39Å
186T98.8Very high97.1Very high35 Ų3574.3 Ų74.322%0.21538%0.383CS..EExtended strand (participates in β ladder)trans-114.4142.1-171.551.10000112P184 W203 A204 V260 L269P184-T186 HydrophobicContact CB-CG2 3.98Å; P184-T186 HydrophobicContact CG-CG2 4.18Å; P184-T186 PolarHBondContact O-N 2.85Å; T186-W203 WeakPolarHBondContact CA-O 3.26Å; T186-A204 HydrophobicContact CG2-CB 4.31Å; T186-V260 HydrophobicContact CG2-CB 4.33Å; T186-V260 HydrophobicContact CG2-CG1 4.05Å; T186-V260 HydrophobicContact CG2-CG2 3.97Å; T186-L269 HydrophobicContact CG2-CD1 4.37Å; T186-L269 WeakPolarHBondContact OG1-CD1 3.49Å
187H98.6Very high97.1Very high80 Ų8071.1 Ų71.137%0.3737%0.368SS..EExtended strand (participates in β ladder)trans-158.7159.4172.564.5-75.4000110.2W203H187-W203 VanDerWaalsContact CE1-CB 3.42Å; H187-W203 WeakPolarHBondContact CE1-CB 3.41Å; H187-W203 AromaticContact CE1-CD1 3.92Å; H187-W203 AromaticContact CE1-CG 3.69Å; H187-W203 PolarHBondContact N-O 2.99Å; H187-W203 AromaticContact NE2-CD1 3.53Å; H187-W203 AromaticContact NE2-CG 3.77Å; H187-W203 PolarHBondContact O-N 2.96Å
188V98.8Very high97.3Very high22 Ų2269 Ų6913%0.13336%0.355CS..EExtended strand (participates in β ladder)trans-110.3134.4175-178.80000108.9L200 R201 C202 W216 L271 W273V188-L200 HydrophobicContact CG1-CB 4.42Å; V188-L200 HydrophobicContact CG1-CD2 4.39Å; V188-R201 CarbonylContact C-O 3.54Å; V188-R201 WeakPolarHBondContact CA-O 3.49Å; V188-C202 HydrophobicContact CG2-CB 4.47Å; V188-W216 HydrophobicContact CG1-CH2 3.86Å; V188-W216 HydrophobicContact CG1-CZ2 4.25Å; V188-W216 HydrophobicContact CG2-CH2 4.22Å; V188-L271 HydrophobicContact CG2-CB 3.83Å; V188-W273 HydrophobicContact CG1-CB 3.9Å
189T98.5Very high97.3Very high32 Ų3269.8 Ų69.820%0.19636%0.36CS..EExtended strand (participates in β ladder)trans-111.9146.3174.150.90000109.6H191 L200 R201 W203T189-H191 PolarHBondContact OG1-NE2 3.22Å; T189-L200 WeakPolarHBondContact O-CA 3.34Å; T189-R201 PolarHBondContact N-O 2.05Å; T189-R201 PolarHBondContact O-N 3.02Å; T189-R201 WeakPolarHBondContact OG1-CB 3.45Å; T189-R201 PolarHBondContact OG1-O 3.41Å; T189-R201 VanDerWaalsContact OG1-O 3.14Å; T189-W203 PolarHBondContact OG1-NE1 3.45Å
190H98.1Very high97.5Very high48 Ų4864.7 Ų64.722%0.22234%0.336CS..EExtended strand (participates in β ladder)trans-121127.3-179.2170.9-93.3000109.7A198 T199 L200 E253 W273H190-A198 WeakPolarHBondContact NE2-CB 3.15Å; H190-T199 WeakPolarHBondContact CA-O 3.5Å; H190-L200 HydrophobicContact CB-CD2 4.05Å; H190-E253 IonicContact NE2-OE1 3.47Å; H190-W273 HydrophobicContact CB-CD2 3.85Å; H190-W273 VanDerWaalsContact CB-CE2 3.44Å; H190-W273 HydrophobicContact CB-CG 3.96Å; H190-W273 HydrophobicContact CB-CZ2 3.96Å; H190-W273 VanDerWaalsContact CB-NE1 3.32Å; H190-W273 AromaticContact CG-CE2 3.72Å; H190-W273 AromaticContact CG-CZ2 3.78Å; H190-W273 AromaticContact ND1-CZ2 3.82Å
191H97.3Very high97.5Very high80 Ų8061.8 Ų61.837%0.3733%0.325SS..EExtended strand (participates in β ladder)trans-130.9105.1-178.2-58.4-73.8000109.9T189 I193 A198 T199 R201T189-H191 PolarHBondContact OG1-NE2 3.22Å; H191-I193 PolarHBondContact O-N 2.81Å; H191-A198 CarbonylContact O-C 3.55Å; H191-A198 WeakPolarHBondContact O-CA 3.27Å; H191-T199 PolarHBondContact N-O 3.43Å; H191-T199 PolarHBondContact O-N 3.42Å; H191-R201 PolarHBondContact CD2-NH1 3.45Å; H191-R201 VanDerWaalsContact CD2-NH1 3.31Å; H191-R201 PolarHBondContact NE2-NH1 3.31Å; H191-R201 VanDerWaalsContact NE2-NH1 3.16Å
192P96.4Very high97.6Very high100 Ų10060.3 Ų60.365%0.64931%0.313SS*.EExtended strand (participates in β ladder)trans-57.2132.1173.1-22.632.6000111.1
193I95.5Very high97.6Very high95 Ų9560.9 Ų60.949%0.48731%0.312SS..  trans-103.1-42.2174.8-58.2164.8000109.6H191 E197 T199 V247H191-I193 PolarHBondContact O-N 2.81Å; I193-E197 PolarHBondContact N-O 2.91Å; I193-T199 WeakPolarHBondContact CD1-OG1 3.46Å; I193-V247 HydrophobicContact CD1-CG1 3.98Å; I193-V247 HydrophobicContact CD1-CG2 3.99Å
194S95.4Very high97.6Very high51 Ų5157.9 Ų57.936%0.35729%0.293SS..SBendtrans-148.3-178.2178.372.20000110.6H196 E197S194-H196 PolarHBondContact O-N 3.15Å; S194-H196 VanDerWaalsContact O-N 3.15Å; S194-H196 PolarHBondContact OG-N 3.28Å; S194-E197 PolarHBondContact N-O 3.27Å; S194-E197 VanDerWaalsContact N-O 3.09Å; S194-E197 PolarHBondContact OG-N 2.98Å
195D92.9Very high97.6Very high151 Ų15160 Ų6081%0.80730%0.304SS*.SBendtrans-65.4-10.1172.6-64.9-20.1000113.3
196H95.1Very high97.6Very high144 Ų14453.7 Ų53.767%0.66728%0.283SS*.SBendtrans-117.4-16.2-175.1-56-43.8000113.6S194 P249 S250S194-H196 PolarHBondContact O-N 3.15Å; S194-H196 VanDerWaalsContact O-N 3.15Å; S194-H196 PolarHBondContact OG-N 3.28Å; H196-P249 CarbonylContact O-C 3.56Å; H196-P249 VanDerWaalsContact O-CA 3.31Å; H196-P249 WeakPolarHBondContact O-CA 3.26Å; H196-S250 VanDerWaalsContact C-OG 3.25Å; H196-S250 PolarHBondContact O-N 3.26Å
197E96.6Very high97.6Very high90 Ų9052 Ų5242%0.42127%0.273SS..EExtended strand (participates in β ladder)trans-143.8146.1-170.1-67-178.3156.500112.5I193 S194 V247 V248 S250I193-E197 PolarHBondContact N-O 2.91Å; S194-E197 PolarHBondContact N-O 3.27Å; S194-E197 VanDerWaalsContact N-O 3.09Å; S194-E197 PolarHBondContact OG-N 2.98Å; E197-V247 HydrophobicContact CB-CG1 3.98Å; E197-V247 HydrophobicContact CG-CG1 4.21Å; E197-V248 VanDerWaalsContact CA-O 3.31Å; E197-V248 WeakPolarHBondContact CA-O 3.41Å; E197-S250 PolarHBondContact N-OG 3.23Å
198A97.7Very high97.6Very high1 Ų148.4 Ų48.41%0.00826%0.256CS..EExtended strand (participates in β ladder)trans-136.7154.5171.400000111.1H190 H191 V247 V248H190-A198 WeakPolarHBondContact NE2-CB 3.15Å; H191-A198 CarbonylContact O-C 3.55Å; H191-A198 WeakPolarHBondContact O-CA 3.27Å; A198-V247 WeakPolarHBondContact O-CA 3.39Å; A198-V248 PolarHBondContact N-O 3.18Å; A198-V248 PolarHBondContact O-N 2.82Å
199T98.4Very high97.6Very high20 Ų2048.1 Ų48.112%0.12325%0.254CS..EExtended strand (participates in β ladder)trans-90.2125.2168.6-53.10000109.8H190 H191 I193 A245 V246H190-T199 WeakPolarHBondContact CA-O 3.5Å; H191-T199 PolarHBondContact N-O 3.43Å; H191-T199 PolarHBondContact O-N 3.42Å; I193-T199 WeakPolarHBondContact CD1-OG1 3.46Å; T199-A245 HydrophobicContact CG2-CB 3.85Å; T199-V246 WeakPolarHBondContact CA-O 3.35Å
200L98.7Very high97.5Very high0 Ų047.5 Ų47.50%025%0.252CS..EExtended strand (participates in β ladder)trans-95.3122.7161.4-63.7-176.6000108.9V188 T189 H190 W216 A245 V246 V248 E253 Y256 W273V188-L200 HydrophobicContact CG1-CB 4.42Å; V188-L200 HydrophobicContact CG1-CD2 4.39Å; T189-L200 WeakPolarHBondContact O-CA 3.34Å; H190-L200 HydrophobicContact CB-CD2 4.05Å; L200-W216 HydrophobicContact CB-CH2 3.7Å; L200-W216 HydrophobicContact CB-CZ2 3.75Å; L200-W216 HydrophobicContact CB-CZ3 4.47Å; L200-W216 HydrophobicContact CD1-CH2 4.05Å; L200-W216 HydrophobicContact CD1-CZ3 4.2Å; L200-A245 CarbonylContact O-C 3.51Å; L200-A245 WeakPolarHBondContact O-CA 3.37Å; L200-V246 HydrophobicContact CB-CG2 4.18Å; L200-V246 PolarHBondContact N-O 2.88Å; L200-V246 PolarHBondContact O-N 3.48Å; L200-V248 HydrophobicContact CD1-CG1 3.99Å; L200-V248 HydrophobicContact CD1-CG2 4.04Å; L200-V248 HydrophobicContact CG-CG1 4.15Å; L200-V248 HydrophobicContact CG-CG2 3.84Å; L200-E253 HydrophobicContact CD1-CB 4.18Å; L200-E253 HydrophobicContact CD2-CG 4.37Å; L200-Y256 HydrophobicContact CD1-CG 4.45Å; L200-W273 HydrophobicContact CD2-CB 3.87Å; L200-W273 HydrophobicContact CD2-CG 4.14Å
201R98.8Very high97.6Very high53 Ų5352.3 Ų52.320%0.228%0.275CS..EExtended strand (participates in β ladder)trans-119.7117.5176.8-179.2-177.8-61.1111.50.2110.4V188 T189 H191 W203 W243 A244 A245V188-R201 CarbonylContact C-O 3.54Å; V188-R201 WeakPolarHBondContact CA-O 3.49Å; T189-R201 PolarHBondContact N-O 2.05Å; T189-R201 PolarHBondContact O-N 3.02Å; T189-R201 WeakPolarHBondContact OG1-CB 3.45Å; T189-R201 PolarHBondContact OG1-O 3.41Å; T189-R201 VanDerWaalsContact OG1-O 3.14Å; H191-R201 PolarHBondContact CD2-NH1 3.45Å; H191-R201 VanDerWaalsContact CD2-NH1 3.31Å; H191-R201 PolarHBondContact NE2-NH1 3.31Å; H191-R201 VanDerWaalsContact NE2-NH1 3.16Å; R201-W203 VanDerWaalsContact CD-CZ2 3.41Å; R201-W203 VanDerWaalsContact CD-NE1 3.35Å; R201-W203 HydrophobicContact CG-CZ2 4.45Å; R201-W243 HydrophobicContact CG-CB 3.98Å; R201-W243 HydrophobicContact CG-CD2 4.16Å; R201-W243 HydrophobicContact CG-CE3 3.97Å; R201-W243 HydrophobicContact CG-CG 4.22Å; R201-A244 WeakPolarHBondContact CA-O 3.22Å; R201-A245 HydrophobicContact CB-CB 4.03Å; R201-A245 HydrophobicContact CG-CB 4.17Å
202C98.8Very high97.6Very high0 Ų049.1 Ų49.10%026%0.26CS..EExtended strand (participates in β ladder)trans-90.7123.2175.1-173.50000109.8V188 W216 W243 A244 C258V188-C202 HydrophobicContact CG2-CB 4.47Å; C202-W216 HydrophobicContact CB-CZ2 3.64Å; C202-W243 CarbonylContact O-C 3.41Å; C202-W243 WeakPolarHBondContact O-CA 3.33Å; C202-W243 VanDerWaalsContact O-CB 3.25Å; C202-W243 WeakPolarHBondContact O-CB 3.32Å; C202-A244 PolarHBondContact N-O 2.96Å; C202-A244 PolarHBondContact O-N 3.03Å; C202-C258 HydrophobicContact CB-CB 3.49Å; C202-C258 VanDerWaalsContact CB-CB 3.49Å; C202-C258 WeakPolarHBondContact CB-SG 3.34Å; C202-C258 WeakPolarHBondContact SG-CB 3.36Å; C202-C258 CovalentContact SG-SG 2.02Å; C202-C258 PolarHBondContact SG-SG 3.38Å
203W98.8Very high97.7Very high47 Ų4747.1 Ų47.118%0.17825%0.246CC..EExtended strand (participates in β ladder)trans-105142.2-179.6-71.991.7000111T186 H187 T189 R201 L205 W243T186-W203 WeakPolarHBondContact CA-O 3.26Å; H187-W203 VanDerWaalsContact CE1-CB 3.42Å; H187-W203 WeakPolarHBondContact CE1-CB 3.41Å; H187-W203 AromaticContact CE1-CD1 3.92Å; H187-W203 AromaticContact CE1-CG 3.69Å; H187-W203 PolarHBondContact N-O 2.99Å; H187-W203 AromaticContact NE2-CD1 3.53Å; H187-W203 AromaticContact NE2-CG 3.77Å; H187-W203 PolarHBondContact O-N 2.96Å; T189-W203 PolarHBondContact OG1-NE1 3.45Å; R201-W203 VanDerWaalsContact CD-CZ2 3.41Å; R201-W203 VanDerWaalsContact CD-NE1 3.35Å; R201-W203 HydrophobicContact CG-CZ2 4.45Å; W203-L205 HydrophobicContact CE3-CD2 3.84Å; W203-L205 HydrophobicContact CZ3-CD2 4.35Å; W203-W243 HydrophobicContact CD2-CB 3.94Å; W203-W243 HydrophobicContact CD2-CG 4.49Å; W203-W243 HydrophobicContact CE3-CB 3.87Å; W203-W243 AromaticContact CE3-CD1 3.93Å; W203-W243 HydrophobicContact CE3-CG 4.23Å; W203-W243 HydrophobicContact CG-CB 4.41Å; W203-W243 AromaticContact CH2-CD1 3.54Å; W203-W243 HydrophobicContact CH2-CG 4.21Å; W203-W243 HydrophobicContact CZ2-CG 4.45Å; W203-W243 HydrophobicContact CZ3-CB 4.24Å; W203-W243 AromaticContact CZ3-CD1 3.4Å; W203-W243 VanDerWaalsContact CZ3-CD1 3.4Å; W203-W243 HydrophobicContact CZ3-CG 4.11Å
204A98.9Very high97.9Very high0 Ų042.9 Ų42.90%023%0.225CC..EExtended strand (participates in β ladder)trans-125.1123.1162.100000108.1P184 T186 F207 I212 L214 Q241 K242P184-A204 HydrophobicContact CB-CB 3.85Å; T186-A204 HydrophobicContact CG2-CB 4.31Å; A204-F207 HydrophobicContact CB-CD1 4.06Å; A204-F207 HydrophobicContact CB-CE1 3.83Å; A204-F207 WeakPolarHBondContact O-CE1 3.47Å; A204-I212 HydrophobicContact CB-CD1 3.63Å; A204-L214 HydrophobicContact CB-CD1 3.97Å; A204-L214 HydrophobicContact CB-CD2 4.1Å; A204-L214 HydrophobicContact CB-CG 4.5Å; A204-Q241 VanDerWaalsContact O-CA 3.3Å; A204-Q241 WeakPolarHBondContact O-CA 3.31Å; A204-K242 PolarHBondContact N-O 2.83Å; A204-K242 PolarHBondContact O-N 3.07Å; A204-K242 VanDerWaalsContact O-O 3.12Å
205L98.8Very high98Very high55 Ų5542.5 Ų42.529%0.28822%0.22SC..EExtended strand (participates in β ladder)trans-130.2148.7-175.2-59.3176.9000111.1K185 W203 F207 Q241K185-L205 PolarHBondContact N-O 2.81Å; K185-L205 PolarHBondContact O-N 3.39Å; W203-L205 HydrophobicContact CE3-CD2 3.84Å; W203-L205 HydrophobicContact CZ3-CD2 4.35Å; L205-F207 VanDerWaalsContact C-N 3.33Å; L205-F207 PolarHBondContact O-N 2.89Å; L205-Q241 HydrophobicContact CD2-CB 3.57Å
206G98.4Very high98.3Very high24 Ų2435.4 Ų35.425%0.24718%0.182CC..EExtended strand (participates in β ladder)trans70.428.4167.300000113.9F240G206-F240 PolarHBondContact N-O 3.06Å
207F98.8Very high98.5Very high0 Ų030.5 Ų30.50%016%0.16CC..EExtended strand (participates in β ladder)trans-100.1153.3-17960.5-89.7000112.7D182 P184 A204 L205 P209 I212 T232 T239 F240 K242 H262D182-F207 CarbonylContact O-C 3.51Å; D182-F207 WeakPolarHBondContact O-CA 3.44Å; D182-F207 WeakPolarHBondContact O-CB 3.43Å; P184-F207 HydrophobicContact CB-CB 3.85Å; P184-F207 HydrophobicContact CB-CD1 3.94Å; P184-F207 HydrophobicContact CB-CG 4.17Å; A204-F207 HydrophobicContact CB-CD1 4.06Å; A204-F207 HydrophobicContact CB-CE1 3.83Å; A204-F207 WeakPolarHBondContact O-CE1 3.47Å; L205-F207 VanDerWaalsContact C-N 3.33Å; L205-F207 PolarHBondContact O-N 2.89Å; F207-P209 VanDerWaalsContact CD2-O 3.3Å; F207-P209 WeakPolarHBondContact CD2-O 3.34Å; F207-I212 HydrophobicContact CD1-CD1 3.83Å; F207-I212 HydrophobicContact CD2-CB 4.3Å; F207-I212 HydrophobicContact CD2-CD1 3.95Å; F207-I212 HydrophobicContact CD2-CG2 4.49Å; F207-I212 HydrophobicContact CE1-CD1 3.74Å; F207-I212 HydrophobicContact CE1-CG2 4.42Å; F207-I212 HydrophobicContact CE2-CB 3.8Å; F207-I212 HydrophobicContact CE2-CD1 3.9Å; F207-I212 HydrophobicContact CE2-CG1 4.44Å; F207-I212 HydrophobicContact CE2-CG2 3.55Å; F207-I212 HydrophobicContact CG-CD1 3.94Å; F207-I212 HydrophobicContact CZ-CB 4.15Å; F207-I212 HydrophobicContact CZ-CD1 3.8Å; F207-I212 HydrophobicContact CZ-CG2 3.51Å; F207-T232 HydrophobicContact CE2-CG2 4.12Å; F207-T232 HydrophobicContact CZ-CG2 3.94Å; F207-T239 CarbonylContact O-C 3.54Å; F207-T239 WeakPolarHBondContact O-CA 3.44Å; F207-F240 VanDerWaalsContact CD1-O 3.3Å; F207-F240 WeakPolarHBondContact CD1-O 3.08Å; F207-F240 HydrophobicContact CD2-CB 3.92Å; F207-F240 HydrophobicContact CE1-CB 4.24Å; F207-F240 WeakPolarHBondContact CE1-O 3.37Å; F207-F240 HydrophobicContact CE2-CB 3.44Å; F207-F240 VanDerWaalsContact CE2-CB 3.44Å; F207-F240 HydrophobicContact CE2-CG 4.42Å; F207-F240 HydrophobicContact CG-CB 4.47Å; F207-F240 HydrophobicContact CZ-CB 3.62Å; F207-F240 PolarHBondContact N-O 3.38Å; F207-F240 PolarHBondContact O-N 3.14Å; F207-K242 HydrophobicContact CE1-CB 4.38Å; F207-K242 HydrophobicContact CZ-CB 4.13Å; F207-H262 AromaticContact CD2-CD2 3.86Å; F207-H262 AromaticContact CD2-NE2 3.81Å
208Y98.6Very high98.5Very high3 Ų329.6 Ų29.61%0.01215%0.152CC..BIsolated β-bridgetrans-148.8137.4171.7177.1-82.3000108D29 T30 R180 A181 D182 R238 F240 H262D29-Y208 HydrophobicContact CB-CE2 3.82Å; T30-Y208 WeakPolarHBondContact OG1-CE2 3.46Å; T30-Y208 PolarHBondContact OG1-OH 2.99Å; R180-Y208 WeakPolarHBondContact O-CD1 3.47Å; A181-Y208 CarbonylContact C-O 3.53Å; A181-Y208 VanDerWaalsContact CA-O 3.28Å; A181-Y208 WeakPolarHBondContact CA-O 3.26Å; D182-Y208 PolarHBondContact N-O 2.9Å; D182-Y208 PolarHBondContact O-N 3.24Å; Y208-R238 HydrophobicContact CD2-CG 3.86Å; Y208-R238 HydrophobicContact CE2-CG 4.05Å; Y208-R238 VanDerWaalsContact CZ-NH2 3.27Å; Y208-F240 HydrophobicContact CD2-CE2 4.12Å; Y208-H262 PolarHBondContact O-CE1 3.1Å; Y208-H262 PolarHBondContact O-NE2 3.06Å
209P98.4Very high98.5Very high17 Ų1734.4 Ų34.411%0.1118%0.178CC..SBendcis-71.2-177.20.130.2-37.3000113.5D29 F207 E211 H262 E263D29-P209 WeakPolarHBondContact OD2-CB 3.35Å; F207-P209 VanDerWaalsContact CD2-O 3.3Å; F207-P209 WeakPolarHBondContact CD2-O 3.34Å; P209-E211 VanDerWaalsContact C-N 3.32Å; P209-E211 PolarHBondContact O-N 2.94Å; P209-H262 PolarHBondContact O-NE2 3.12Å; P209-E263 VanDerWaalsContact CD-CD 3.46Å; P209-E263 WeakPolarHBondContact CD-OE1 3.48Å; P209-E263 HydrophobicContact CG-CG 3.87Å; P209-E263 VanDerWaalsContact CG-OE1 3.24Å; P209-E263 WeakPolarHBondContact CG-OE1 3.37Å
210A98.4Very high98.3Very high18 Ų1835.7 Ų35.715%0.14920%0.196CC..SBendtrans-71.4-24.5-175.900000113.8D29 I212 T232 F240D29-A210 WeakPolarHBondContact OD2-CB 3.4Å; D29-A210 PolarHBondContact OD2-N 3.16Å; A210-I212 PolarHBondContact O-N 3.26Å; A210-T232 HydrophobicContact CB-CG2 4.34Å; A210-F240 HydrophobicContact CB-CD1 3.79Å; A210-F240 HydrophobicContact CB-CD2 3.78Å; A210-F240 HydrophobicContact CB-CE1 3.69Å; A210-F240 HydrophobicContact CB-CE2 3.69Å; A210-F240 HydrophobicContact CB-CG 3.84Å; A210-F240 HydrophobicContact CB-CZ 3.66Å
211E98.4Very high98.2Very high149 Ų14942.5 Ų42.570%0.69623%0.227SC*.  trans-65.5119-178.5-173.259.8-149.900110.7P209 H262P209-E211 VanDerWaalsContact C-N 3.32Å; P209-E211 PolarHBondContact O-N 2.94Å; E211-H262 PolarHBondContact O-CD2 3.5Å; E211-H262 VanDerWaalsContact O-CD2 3.32Å
212I98.7Very high98.2Very high13 Ų1344.5 Ų44.57%0.06724%0.242CC..  trans-154.5144.3-177.8-164169.7000110.6P184 A204 F207 A210 L214 K242 V260 Q261 H262P184-I212 HydrophobicContact CB-CD1 4Å; P184-I212 HydrophobicContact CG-CD1 4.06Å; A204-I212 HydrophobicContact CB-CD1 3.63Å; F207-I212 HydrophobicContact CD1-CD1 3.83Å; F207-I212 HydrophobicContact CD2-CB 4.3Å; F207-I212 HydrophobicContact CD2-CD1 3.95Å; F207-I212 HydrophobicContact CD2-CG2 4.49Å; F207-I212 HydrophobicContact CE1-CD1 3.74Å; F207-I212 HydrophobicContact CE1-CG2 4.42Å; F207-I212 HydrophobicContact CE2-CB 3.8Å; F207-I212 HydrophobicContact CE2-CD1 3.9Å; F207-I212 HydrophobicContact CE2-CG1 4.44Å; F207-I212 HydrophobicContact CE2-CG2 3.55Å; F207-I212 HydrophobicContact CG-CD1 3.94Å; F207-I212 HydrophobicContact CZ-CB 4.15Å; F207-I212 HydrophobicContact CZ-CD1 3.8Å; F207-I212 HydrophobicContact CZ-CG2 3.51Å; A210-I212 PolarHBondContact O-N 3.26Å; I212-L214 HydrophobicContact CB-CD1 4.42Å; I212-L214 HydrophobicContact CD1-CD1 3.63Å; I212-L214 HydrophobicContact CG1-CD1 3.59Å; I212-L214 HydrophobicContact CG2-CD1 4.12Å; I212-K242 HydrophobicContact CG2-CB 4.31Å; I212-K242 HydrophobicContact CG2-CD 3.68Å; I212-V260 HydrophobicContact CD1-CG1 4.12Å; I212-V260 HydrophobicContact CG1-CG1 4.38Å; I212-Q261 VanDerWaalsContact CG1-O 3.32Å; I212-Q261 WeakPolarHBondContact CG1-O 3.38Å; I212-H262 HydrophobicContact CD1-CB 4.42Å; I212-H262 HydrophobicContact CG1-CB 4.2Å
213T98.6Very high98.1Very high58 Ų5845.8 Ų45.836%0.35625%0.248SC..EExtended strand (participates in β ladder)trans-114.6122174.2-53.70000109.6T215 V260 Q261T213-T215 HydrophobicContact CG2-CG2 4.05Å; T213-V260 WeakPolarHBondContact O-CA 3.5Å; T213-Q261 PolarHBondContact N-O 2.87Å; T213-Q261 PolarHBondContact O-N 3.45Å
214L98.5Very high97.8Very high7 Ų748.7 Ų48.74%0.03727%0.271CS..EExtended strand (participates in β ladder)trans-118.7121.6171.5-84.965.3000108.3A204 I212 L229 K242 A244 H259 V260A204-L214 HydrophobicContact CB-CD1 3.97Å; A204-L214 HydrophobicContact CB-CD2 4.1Å; A204-L214 HydrophobicContact CB-CG 4.5Å; I212-L214 HydrophobicContact CB-CD1 4.42Å; I212-L214 HydrophobicContact CD1-CD1 3.63Å; I212-L214 HydrophobicContact CG1-CD1 3.59Å; I212-L214 HydrophobicContact CG2-CD1 4.12Å; L214-L229 HydrophobicContact CB-CD1 4.29Å; L214-K242 HydrophobicContact CD1-CD 4.27Å; L214-K242 HydrophobicContact CD2-CB 4.35Å; L214-K242 HydrophobicContact CD2-CG 4.46Å; L214-A244 HydrophobicContact CB-CB 4.03Å; L214-A244 HydrophobicContact CD2-CB 4.35Å; L214-H259 WeakPolarHBondContact CA-O 3.46Å; L214-V260 HydrophobicContact CD1-CG1 4.2Å; L214-V260 HydrophobicContact CG-CG2 4.36Å
215T98.5Very high97.6Very high43 Ų4357.7 Ų57.726%0.26431%0.313SS..EExtended strand (participates in β ladder)trans-132.3148.2175.558.20000111.4T213 C258 H259T213-T215 HydrophobicContact CG2-CG2 4.05Å; T215-C258 CarbonylContact O-C 3.54Å; T215-C258 WeakPolarHBondContact O-CA 3.5Å; T215-H259 PolarHBondContact N-O 2.99Å; T215-H259 PolarHBondContact O-N 3.2Å
216W98.7Very high97.4Very high1 Ų160.5 Ų60.50%0.00433%0.328CS..EExtended strand (participates in β ladder)trans-102.3137.3168.2-82.8105.3000109.8V188 L200 C202 Q223 A244 V246 T257 C258V188-W216 HydrophobicContact CG1-CH2 3.86Å; V188-W216 HydrophobicContact CG1-CZ2 4.25Å; V188-W216 HydrophobicContact CG2-CH2 4.22Å; L200-W216 HydrophobicContact CB-CH2 3.7Å; L200-W216 HydrophobicContact CB-CZ2 3.75Å; L200-W216 HydrophobicContact CB-CZ3 4.47Å; L200-W216 HydrophobicContact CD1-CH2 4.05Å; L200-W216 HydrophobicContact CD1-CZ3 4.2Å; C202-W216 HydrophobicContact CB-CZ2 3.64Å; W216-Q223 HydrophobicContact CB-CB 4.33Å; W216-Q223 PolarHBondContact O-N 2.92Å; W216-A244 PolarHBondContact NE1-O 2.91Å; W216-V246 HydrophobicContact CB-CG1 3.69Å; W216-V246 HydrophobicContact CB-CG2 4.38Å; W216-V246 HydrophobicContact CD2-CG1 4.46Å; W216-V246 HydrophobicContact CD2-CG2 3.69Å; W216-V246 HydrophobicContact CE3-CG2 4.11Å; W216-V246 HydrophobicContact CG-CB 4.41Å; W216-V246 HydrophobicContact CG-CG1 3.69Å; W216-V246 HydrophobicContact CG-CG2 3.81Å; W216-V246 HydrophobicContact CZ2-CG2 4.43Å; W216-T257 WeakPolarHBondContact CA-O 3.39Å; W216-C258 HydrophobicContact CD2-CB 4.15Å; W216-C258 HydrophobicContact CE3-CB 4.11Å; W216-C258 HydrophobicContact CH2-CB 3.98Å; W216-C258 HydrophobicContact CZ2-CB 4.03Å; W216-C258 HydrophobicContact CZ3-CB 4.01Å
217Q98.6Very high97.3Very high41 Ų4160.6 Ų60.619%0.19232%0.324CS..EExtended strand (participates in β ladder)trans-119.7145170.8-69.5-174.2-9.500110.2E221 D222 Y256 T257 H259Q217-E221 CarbonylContact C-O 3.58Å; Q217-E221 WeakPolarHBondContact CA-O 3.23Å; Q217-D222 WeakPolarHBondContact CG-OD1 3.14Å; Q217-D222 PolarHBondContact NE2-OD1 3.39Å; Q217-Y256 CarbonylContact O-C 3.59Å; Q217-Y256 VanDerWaalsContact O-CA 3.23Å; Q217-Y256 WeakPolarHBondContact O-CA 3.48Å; Q217-T257 PolarHBondContact N-O 3.18Å; Q217-T257 PolarHBondContact O-N 3.06Å; Q217-H259 PolarHBondContact OE1-CE1 3.07Å; Q217-H259 PolarHBondContact OE1-NE2 3.4Å; Q217-H259 VanDerWaalsContact OE1-NE2 3.16Å
218R98.1Very high97.3Very high72 Ų7266.1 Ų66.127%0.27235%0.35SS..EExtended strand (participates in β ladder)trans-116.5119.6167.9-175.9-172.1-176.3178.9-1.5108.1G220 E221 Q223 E252 R255 Y256R218-G220 PolarHBondContact O-N 3.41Å; R218-E221 PolarHBondContact N-O 3.06Å; R218-E221 PolarHBondContact O-N 2.87Å; R218-Q223 HydrophobicContact CB-CG 4.01Å; R218-E252 IonicContact CZ-OE2 3.45Å; R218-E252 IonicContact NE-OE2 2.68Å; R218-E252 IonicContact NH2-OE1 3.35Å; R218-E252 IonicContact NH2-OE2 3.33Å; R218-E252 PolarHBondContact NH2-OE2 3.47Å; R218-R255 WeakPolarHBondContact CA-O 3.33Å; R218-R255 HydrophobicContact CG-CB 4.41Å; R218-Y256 HydrophobicContact CB-CD1 4.04Å; R218-Y256 HydrophobicContact CB-CE1 3.79Å; R218-Y256 WeakPolarHBondContact CD-OH 3.3Å; R218-Y256 HydrophobicContact CG-CD1 4.4Å; R218-Y256 HydrophobicContact CG-CE1 3.95Å; R218-Y256 HydrophobicContact CG-CE2 4.14Å; R218-Y256 PolarHBondContact NE-OH 3.25Å
219D96.9Very high97.2Very high101 Ų10170.1 Ų70.154%0.5437%0.371SS..THydrogen-bonded Turntrans51.128.6-174.9-51.8-52000114.1R255D219-R255 PolarHBondContact N-O 2.85Å; D219-R255 IonicContact OD1-NE 2.73Å; D219-R255 PolarHBondContact OD1-NE 3.34Å; D219-R255 IonicContact OD2-CZ 2.67Å; D219-R255 IonicContact OD2-NE 3.52Å; D219-R255 PolarHBondContact OD2-NE 3.06Å; D219-R255 IonicContact OD2-NH2 3.65Å; D219-R255 PolarHBondContact OD2-NH2 3.46Å
220G94.1Very high97.2Very high48 Ų4870.9 Ų70.950%0.49538%0.375SS..THydrogen-bonded Turntrans91.5-1.5-177.800000115.6R218R218-G220 PolarHBondContact O-N 3.41Å
221E97.4Very high97.2Very high143 Ų14377.9 Ų77.967%0.66841%0.405SS*.EExtended strand (participates in β ladder)trans-99.5128.9177.6-62.9-171.417100112.1Q217 R218 Q223Q217-E221 CarbonylContact C-O 3.58Å; Q217-E221 WeakPolarHBondContact CA-O 3.23Å; R218-E221 PolarHBondContact N-O 3.06Å; R218-E221 PolarHBondContact O-N 2.87Å; E221-Q223 PolarHBondContact O-NE2 3.35Å
222D97.2Very high97.2Very high94 Ų9472.8 Ų72.850%0.50338%0.384SS..EExtended strand (participates in β ladder)trans-62.1132.9-179.1-71.3-19.6000112.4Q217Q217-D222 WeakPolarHBondContact CG-OD1 3.14Å; Q217-D222 PolarHBondContact NE2-OD1 3.39Å
223Q96.8Very high97.2Very high28 Ų2876.8 Ų76.813%0.13140%0.398CS..  trans-101.740.8-177.3-58.2-60.2-7100112.3W216 R218 E221 Q225 D226 T227 V246 Y256W216-Q223 HydrophobicContact CB-CB 4.33Å; W216-Q223 PolarHBondContact O-N 2.92Å; R218-Q223 HydrophobicContact CB-CG 4.01Å; E221-Q223 PolarHBondContact O-NE2 3.35Å; Q223-Q225 VanDerWaalsContact C-N 3.3Å; Q223-Q225 PolarHBondContact O-N 3.09Å; Q223-D226 PolarHBondContact O-N 3.48Å; Q223-D226 VanDerWaalsContact O-N 3.16Å; Q223-T227 WeakPolarHBondContact O-CB 3.38Å; Q223-T227 PolarHBondContact O-N 3.21Å; Q223-T227 PolarHBondContact O-OG1 3.49Å; Q223-V246 HydrophobicContact CB-CG1 4.37Å; Q223-Y256 HydrophobicContact CG-CE1 4.45Å
224T93.8Very high97.2Very high107 Ų10778.5 Ų78.566%0.65641%0.41SS*.THydrogen-bonded Turntrans-59.2-35.5-169.6-530000113.9
225Q94.4Very high97.1Very high190 Ų19080.7 Ų80.789%0.88843%0.429SS*.THydrogen-bonded Turntrans-76.7-29.4-179.7-66.9-173-5.300113Q223Q223-Q225 VanDerWaalsContact C-N 3.3Å; Q223-Q225 PolarHBondContact O-N 3.09Å
226D93.4Very high97Very high113 Ų11382.3 Ų82.360%0.60446%0.455SS*.THydrogen-bonded Turntrans-97.1-2.3-176.4-55.7-60.2000112.6Q223Q223-D226 PolarHBondContact O-N 3.48Å; Q223-D226 VanDerWaalsContact O-N 3.16Å
227T97.1Very high96.9Very high26 Ų2687.4 Ų87.416%0.1648%0.482CS..  trans-90.1119.8179.6-62.20000110.9Q223 L229 A244 A245 V246Q223-T227 WeakPolarHBondContact O-CB 3.38Å; Q223-T227 PolarHBondContact O-N 3.21Å; Q223-T227 PolarHBondContact O-OG1 3.49Å; T227-L229 HydrophobicContact CG2-CB 4.39Å; T227-L229 PolarHBondContact O-N 3.16Å; T227-A244 HydrophobicContact CG2-CB 3.88Å; T227-A245 CarbonylContact C-O 3.5Å; T227-A245 WeakPolarHBondContact CA-O 3.44Å; T227-V246 WeakPolarHBondContact OG1-CG1 3.33Å
228E98Very high96.7Very high116 Ų11688.4 Ų88.454%0.54248%0.484SS..EExtended strand (participates in β ladder)trans-76.3110.1162.5-172.8-174.7-17200108.9W243 A244 A245E228-W243 HydrophobicContact CB-CZ3 4.16Å; E228-W243 HydrophobicContact CG-CH2 3.85Å; E228-W243 HydrophobicContact CG-CZ3 3.81Å; E228-W243 WeakPolarHBondContact OE1-CH2 3.2Å; E228-W243 WeakPolarHBondContact OE2-CH2 3.47Å; E228-A244 CarbonylContact O-C 3.52Å; E228-A244 WeakPolarHBondContact O-CA 3.46Å; E228-A245 HydrophobicContact CB-CB 4.45Å; E228-A245 PolarHBondContact N-O 2.78Å; E228-A245 PolarHBondContact O-N 2.8Å
229L97.9Very high96.7Very high88 Ų8885.8 Ų85.846%0.46148%0.476SS..EExtended strand (participates in β ladder)trans-116.1119.6-179.9-172.768.2000110L214 T227 K242 A244L214-L229 HydrophobicContact CB-CD1 4.29Å; T227-L229 HydrophobicContact CG2-CB 4.39Å; T227-L229 PolarHBondContact O-N 3.16Å; L229-K242 HydrophobicContact CD1-CD 4.43Å; L229-A244 HydrophobicContact CD1-CB 3.64Å
230V97.8Very high96.8Very high33 Ų3382.3 Ų82.320%0.246%0.456CS..PPolyproline II helixtrans-83.6153.5175.5-66.30000112.3K242 W243V230-K242 HydrophobicContact CG2-CG 4.44Å; V230-K242 WeakPolarHBondContact O-CE 3.36Å; V230-K242 WeakPolarHBondContact O-CG 3.2Å; V230-K242 PolarHBondContact O-NZ 2.85Å; V230-W243 HydrophobicContact CB-CD2 4.49Å; V230-W243 HydrophobicContact CB-CZ2 4.38Å; V230-W243 HydrophobicContact CG1-CD2 3.96Å; V230-W243 HydrophobicContact CG1-CE3 4.32Å; V230-W243 HydrophobicContact CG1-CH2 3.6Å; V230-W243 HydrophobicContact CG1-CZ2 3.15Å; V230-W243 HydrophobicContact CG1-CZ3 4.15Å; V230-W243 HydrophobicContact CG2-CD2 3.77Å; V230-W243 HydrophobicContact CG2-CG 3.74Å; V230-W243 HydrophobicContact CG2-CZ2 4.42Å; V230-W243 WeakPolarHBondContact CG2-O 3.5Å; V230-W243 PolarHBondContact N-O 3.15Å
231E97.9Very high97Very high164 Ų16482.2 Ų82.277%0.76644%0.443SS*.PPolyproline II helixtrans-55.2144.2167-71.6-63.717100111.5R233E231-R233 PolarHBondContact O-N 3.42Å
232T98.6Very high97.1Very high42 Ų4276.2 Ų76.226%0.25842%0.415SS..PPolyproline II helixtrans-66.2128173.7-57.90000108.3F207 A210 F240 K242F207-T232 HydrophobicContact CE2-CG2 4.12Å; F207-T232 HydrophobicContact CZ-CG2 3.94Å; A210-T232 HydrophobicContact CB-CG2 4.34Å; T232-F240 HydrophobicContact CG2-CB 3.85Å; T232-F240 HydrophobicContact CG2-CD1 3.93Å; T232-F240 HydrophobicContact CG2-CG 4.16Å; T232-K242 WeakPolarHBondContact OG1-CD 3.44Å; T232-K242 PolarHBondContact OG1-NZ 2.64Å; T232-K242 VanDerWaalsContact OG1-NZ 3.12Å
233R98.4Very high97.2Very high98 Ų9872.9 Ų72.937%0.3740%0.395SS..EExtended strand (participates in β ladder)trans-126.2144.1-173.268.9-169.1-178.4-1732.8111.6E231 F240 Q241E231-R233 PolarHBondContact O-N 3.42Å; R233-F240 WeakPolarHBondContact O-CA 3.05Å; R233-Q241 HydrophobicContact CG-CG 3.58Å; R233-Q241 PolarHBondContact N-O 3.35Å; R233-Q241 WeakPolarHBondContact O-CG 3.39Å; R233-Q241 PolarHBondContact O-N 3.13Å
234P98.3Very high97.3Very high94 Ų9471.6 Ų71.661%0.6139%0.389SS*.EExtended strand (participates in β ladder)trans-69.8145178.929.4-35000111.1F240P234-F240 HydrophobicContact CB-CE1 4.34Å
235A97.8Very high97.5Very high52 Ų5266.6 Ų66.643%0.4336%0.358SS..  trans-88.3-16.6172.400000112.9D237 T239A235-D237 WeakPolarHBondContact CB-OD1 3.13Å; A235-T239 WeakPolarHBondContact CB-O 3.2Å; A235-T239 WeakPolarHBondContact CB-OG1 3.46Å; A235-T239 PolarHBondContact N-O 3.43Å
236G95.8Very high97.7Very high78 Ų7857.7 Ų57.780%0.80432%0.317SS*.SBendtrans95.3-5.5-18000000114.6
237D95.8Very high97.9Very high108 Ų10855.9 Ų55.958%0.57831%0.31SS*.SBendtrans-114.530.4-179.765.1-3.6000112.2A235 T239A235-D237 WeakPolarHBondContact CB-OD1 3.13Å; D237-T239 PolarHBondContact O-N 3.29Å; D237-T239 WeakPolarHBondContact OD1-CB 3.31Å; D237-T239 PolarHBondContact OD1-N 2.95Å; D237-T239 VanDerWaalsContact OD1-N 3.09Å; D237-T239 PolarHBondContact OD1-OG1 3.31Å
238R95.5Very high97.9Very high61 Ų6154.7 Ų54.723%0.2330%0.303CS..SBendtrans76.2-21.8-169.2-174.8-177.4173.9-133.9-11.7115.2T30 T177 Y208T30-R238 PolarHBondContact OG1-NE 2.8Å; T177-R238 VanDerWaalsContact CB-NH1 3.27Å; T177-R238 PolarHBondContact O-NH1 3.39Å; T177-R238 PolarHBondContact O-NH2 3.18Å; Y208-R238 HydrophobicContact CD2-CG 3.86Å; Y208-R238 HydrophobicContact CE2-CG 4.05Å; Y208-R238 VanDerWaalsContact CZ-NH2 3.27Å
239T98.4Very high97.9Very high17 Ų1751.2 Ų51.210%0.10429%0.29CS..  trans-85.8169.4-177.974.90000113F207 A235 D237F207-T239 CarbonylContact O-C 3.54Å; F207-T239 WeakPolarHBondContact O-CA 3.44Å; A235-T239 WeakPolarHBondContact CB-O 3.2Å; A235-T239 WeakPolarHBondContact CB-OG1 3.46Å; A235-T239 PolarHBondContact N-O 3.43Å; D237-T239 PolarHBondContact O-N 3.29Å; D237-T239 WeakPolarHBondContact OD1-CB 3.31Å; D237-T239 PolarHBondContact OD1-N 2.95Å; D237-T239 VanDerWaalsContact OD1-N 3.09Å; D237-T239 PolarHBondContact OD1-OG1 3.31Å
240F98.8Very high97.8Very high28 Ų2849.8 Ų49.812%0.12329%0.287CS..EExtended strand (participates in β ladder)trans-119.4163.2179.6-64.1-88.1000111.7D29 G206 F207 Y208 A210 T232 R233 P234D29-F240 HydrophobicContact CB-CE2 3.8Å; D29-F240 HydrophobicContact CB-CZ 3.79Å; G206-F240 PolarHBondContact N-O 3.06Å; F207-F240 VanDerWaalsContact CD1-O 3.3Å; F207-F240 WeakPolarHBondContact CD1-O 3.08Å; F207-F240 HydrophobicContact CD2-CB 3.92Å; F207-F240 HydrophobicContact CE1-CB 4.24Å; F207-F240 WeakPolarHBondContact CE1-O 3.37Å; F207-F240 HydrophobicContact CE2-CB 3.44Å; F207-F240 VanDerWaalsContact CE2-CB 3.44Å; F207-F240 HydrophobicContact CE2-CG 4.42Å; F207-F240 HydrophobicContact CG-CB 4.47Å; F207-F240 HydrophobicContact CZ-CB 3.62Å; F207-F240 PolarHBondContact N-O 3.38Å; F207-F240 PolarHBondContact O-N 3.14Å; Y208-F240 HydrophobicContact CD2-CE2 4.12Å; A210-F240 HydrophobicContact CB-CD1 3.79Å; A210-F240 HydrophobicContact CB-CD2 3.78Å; A210-F240 HydrophobicContact CB-CE1 3.69Å; A210-F240 HydrophobicContact CB-CE2 3.69Å; A210-F240 HydrophobicContact CB-CG 3.84Å; A210-F240 HydrophobicContact CB-CZ 3.66Å; T232-F240 HydrophobicContact CG2-CB 3.85Å; T232-F240 HydrophobicContact CG2-CD1 3.93Å; T232-F240 HydrophobicContact CG2-CG 4.16Å; R233-F240 WeakPolarHBondContact O-CA 3.05Å; P234-F240 HydrophobicContact CB-CE1 4.34Å
241Q98.7Very high97.7Very high46 Ų4651.4 Ų51.422%0.21531%0.311CS..EExtended strand (participates in β ladder)trans-140.5146.1173.744.3166.8-19.300110.1A204 L205 R233A204-Q241 VanDerWaalsContact O-CA 3.3Å; A204-Q241 WeakPolarHBondContact O-CA 3.31Å; L205-Q241 HydrophobicContact CD2-CB 3.57Å; R233-Q241 HydrophobicContact CG-CG 3.58Å; R233-Q241 PolarHBondContact N-O 3.35Å; R233-Q241 WeakPolarHBondContact O-CG 3.39Å; R233-Q241 PolarHBondContact O-N 3.13Å
242K98.8Very high97.7Very high17 Ų1746 Ų467%0.07429%0.286CS..EExtended strand (participates in β ladder)trans-150154.1176.6-161.5-177-171.769.10108.9A204 F207 I212 L214 L229 V230 T232A204-K242 PolarHBondContact N-O 2.83Å; A204-K242 PolarHBondContact O-N 3.07Å; A204-K242 VanDerWaalsContact O-O 3.12Å; F207-K242 HydrophobicContact CE1-CB 4.38Å; F207-K242 HydrophobicContact CZ-CB 4.13Å; I212-K242 HydrophobicContact CG2-CB 4.31Å; I212-K242 HydrophobicContact CG2-CD 3.68Å; L214-K242 HydrophobicContact CD1-CD 4.27Å; L214-K242 HydrophobicContact CD2-CB 4.35Å; L214-K242 HydrophobicContact CD2-CG 4.46Å; L229-K242 HydrophobicContact CD1-CD 4.43Å; V230-K242 HydrophobicContact CG2-CG 4.44Å; V230-K242 WeakPolarHBondContact O-CE 3.36Å; V230-K242 WeakPolarHBondContact O-CG 3.2Å; V230-K242 PolarHBondContact O-NZ 2.85Å; T232-K242 WeakPolarHBondContact OG1-CD 3.44Å; T232-K242 PolarHBondContact OG1-NZ 2.64Å; T232-K242 VanDerWaalsContact OG1-NZ 3.12Å
243W98.7Very high97.6Very high25 Ų2545.1 Ų45.110%0.09528%0.279CS..EExtended strand (participates in β ladder)trans-142.4155.5168.659.3-99.1000111.4R201 C202 W203 E228 V230 A245R201-W243 HydrophobicContact CG-CB 3.98Å; R201-W243 HydrophobicContact CG-CD2 4.16Å; R201-W243 HydrophobicContact CG-CE3 3.97Å; R201-W243 HydrophobicContact CG-CG 4.22Å; C202-W243 CarbonylContact O-C 3.41Å; C202-W243 WeakPolarHBondContact O-CA 3.33Å; C202-W243 VanDerWaalsContact O-CB 3.25Å; C202-W243 WeakPolarHBondContact O-CB 3.32Å; W203-W243 HydrophobicContact CD2-CB 3.94Å; W203-W243 HydrophobicContact CD2-CG 4.49Å; W203-W243 HydrophobicContact CE3-CB 3.87Å; W203-W243 AromaticContact CE3-CD1 3.93Å; W203-W243 HydrophobicContact CE3-CG 4.23Å; W203-W243 HydrophobicContact CG-CB 4.41Å; W203-W243 AromaticContact CH2-CD1 3.54Å; W203-W243 HydrophobicContact CH2-CG 4.21Å; W203-W243 HydrophobicContact CZ2-CG 4.45Å; W203-W243 HydrophobicContact CZ3-CB 4.24Å; W203-W243 AromaticContact CZ3-CD1 3.4Å; W203-W243 VanDerWaalsContact CZ3-CD1 3.4Å; W203-W243 HydrophobicContact CZ3-CG 4.11Å; E228-W243 HydrophobicContact CB-CZ3 4.16Å; E228-W243 HydrophobicContact CG-CH2 3.85Å; E228-W243 HydrophobicContact CG-CZ3 3.81Å; E228-W243 WeakPolarHBondContact OE1-CH2 3.2Å; E228-W243 WeakPolarHBondContact OE2-CH2 3.47Å; V230-W243 HydrophobicContact CB-CD2 4.49Å; V230-W243 HydrophobicContact CB-CZ2 4.38Å; V230-W243 HydrophobicContact CG1-CD2 3.96Å; V230-W243 HydrophobicContact CG1-CE3 4.32Å; V230-W243 HydrophobicContact CG1-CH2 3.6Å; V230-W243 HydrophobicContact CG1-CZ2 3.15Å; V230-W243 HydrophobicContact CG1-CZ3 4.15Å; V230-W243 HydrophobicContact CG2-CD2 3.77Å; V230-W243 HydrophobicContact CG2-CG 3.74Å; V230-W243 HydrophobicContact CG2-CZ2 4.42Å; V230-W243 WeakPolarHBondContact CG2-O 3.5Å; V230-W243 PolarHBondContact N-O 3.15Å; W243-A245 HydrophobicContact CE3-CB 3.92Å; W243-A245 HydrophobicContact CZ3-CB 3.65Å
244A98.6Very high97.6Very high0 Ų045.6 Ų45.60%029%0.285CS..EExtended strand (participates in β ladder)trans-128.4133173.600000108.4R201 C202 L214 W216 T227 E228 L229R201-A244 WeakPolarHBondContact CA-O 3.22Å; C202-A244 PolarHBondContact N-O 2.96Å; C202-A244 PolarHBondContact O-N 3.03Å; L214-A244 HydrophobicContact CB-CB 4.03Å; L214-A244 HydrophobicContact CD2-CB 4.35Å; W216-A244 PolarHBondContact NE1-O 2.91Å; T227-A244 HydrophobicContact CG2-CB 3.88Å; E228-A244 CarbonylContact O-C 3.52Å; E228-A244 WeakPolarHBondContact O-CA 3.46Å; L229-A244 HydrophobicContact CD1-CB 3.64Å
245A98.6Very high97.6Very high2 Ų245.7 Ų45.72%0.01727%0.273CS..EExtended strand (participates in β ladder)trans-127.6146-179.400000112.3T199 L200 R201 T227 E228 W243T199-A245 HydrophobicContact CG2-CB 3.85Å; L200-A245 CarbonylContact O-C 3.51Å; L200-A245 WeakPolarHBondContact O-CA 3.37Å; R201-A245 HydrophobicContact CB-CB 4.03Å; R201-A245 HydrophobicContact CG-CB 4.17Å; T227-A245 CarbonylContact C-O 3.5Å; T227-A245 WeakPolarHBondContact CA-O 3.44Å; E228-A245 HydrophobicContact CB-CB 4.45Å; E228-A245 PolarHBondContact N-O 2.78Å; E228-A245 PolarHBondContact O-N 2.8Å; W243-A245 HydrophobicContact CE3-CB 3.92Å; W243-A245 HydrophobicContact CZ3-CB 3.65Å
246V98.4Very high97.6Very high4 Ų443.7 Ų43.72%0.02426%0.255CS..EExtended strand (participates in β ladder)trans-131.3145.5172.9-72.50000109.1T199 L200 W216 Q223 T227 V248 Y256T199-V246 WeakPolarHBondContact CA-O 3.35Å; L200-V246 HydrophobicContact CB-CG2 4.18Å; L200-V246 PolarHBondContact N-O 2.88Å; L200-V246 PolarHBondContact O-N 3.48Å; W216-V246 HydrophobicContact CB-CG1 3.69Å; W216-V246 HydrophobicContact CB-CG2 4.38Å; W216-V246 HydrophobicContact CD2-CG1 4.46Å; W216-V246 HydrophobicContact CD2-CG2 3.69Å; W216-V246 HydrophobicContact CE3-CG2 4.11Å; W216-V246 HydrophobicContact CG-CB 4.41Å; W216-V246 HydrophobicContact CG-CG1 3.69Å; W216-V246 HydrophobicContact CG-CG2 3.81Å; W216-V246 HydrophobicContact CZ2-CG2 4.43Å; Q223-V246 HydrophobicContact CB-CG1 4.37Å; T227-V246 WeakPolarHBondContact OG1-CG1 3.33Å; V246-V248 HydrophobicContact CB-CG1 4.4Å; V246-V248 HydrophobicContact CG2-CG1 3.77Å; V246-Y256 HydrophobicContact CG2-CD1 4.06Å; V246-Y256 HydrophobicContact CG2-CE1 4.46Å
247V98.3Very high97.8Very high75 Ų7540.3 Ų40.346%0.45522%0.218SC..EExtended strand (participates in β ladder)trans-88127.5168.5-179.60000107.7I193 E197 A198I193-V247 HydrophobicContact CD1-CG1 3.98Å; I193-V247 HydrophobicContact CD1-CG2 3.99Å; E197-V247 HydrophobicContact CB-CG1 3.98Å; E197-V247 HydrophobicContact CG-CG1 4.21Å; A198-V247 WeakPolarHBondContact O-CA 3.39Å
248V97.7Very high97.9Very high0 Ų035.1 Ų35.10%019%0.191CC..EExtended strand (participates in β ladder)trans-125.6145.7-175.3-52.40000110.5E197 A198 L200 V246 E253 Y256E197-V248 VanDerWaalsContact CA-O 3.31Å; E197-V248 WeakPolarHBondContact CA-O 3.41Å; A198-V248 PolarHBondContact N-O 3.18Å; A198-V248 PolarHBondContact O-N 2.82Å; L200-V248 HydrophobicContact CD1-CG1 3.99Å; L200-V248 HydrophobicContact CD1-CG2 4.04Å; L200-V248 HydrophobicContact CG-CG1 4.15Å; L200-V248 HydrophobicContact CG-CG2 3.84Å; V246-V248 HydrophobicContact CB-CG1 4.4Å; V246-V248 HydrophobicContact CG2-CG1 3.77Å; V248-E253 HydrophobicContact CG2-CG 4.04Å; V248-Y256 HydrophobicContact CB-CD2 4.02Å; V248-Y256 HydrophobicContact CB-CE2 3.66Å; V248-Y256 HydrophobicContact CG1-CD1 3.78Å; V248-Y256 HydrophobicContact CG1-CD2 3.59Å; V248-Y256 HydrophobicContact CG1-CE1 3.67Å; V248-Y256 HydrophobicContact CG1-CE2 3.5Å; V248-Y256 VanDerWaalsContact CG1-CE2 3.5Å; V248-Y256 HydrophobicContact CG1-CG 3.74Å
249P97.7Very high98Very high44 Ų4434 Ų3429%0.28619%0.188SC..EExtended strand (participates in β ladder)trans-62.8140.2170.2-20.432.4000111.3H196 G251 E252H196-P249 CarbonylContact O-C 3.56Å; H196-P249 VanDerWaalsContact O-CA 3.31Å; H196-P249 WeakPolarHBondContact O-CA 3.26Å; P249-G251 PolarHBondContact O-N 3.23Å; P249-E252 HydrophobicContact CB-CB 4.33Å; P249-E252 HydrophobicContact CB-CG 4.09Å; P249-E252 HydrophobicContact CG-CG 4.48Å; P249-E252 WeakPolarHBondContact O-CB 3.34Å; P249-E252 PolarHBondContact O-N 3.24Å
250S95.6Very high98.1Very high57 Ų5733.2 Ų33.240%0.39918%0.183SC..THydrogen-bonded Turntrans-59.4129.8176-61.90000111.2H196 E197 E253H196-S250 VanDerWaalsContact C-OG 3.25Å; H196-S250 PolarHBondContact O-N 3.26Å; E197-S250 PolarHBondContact N-OG 3.23Å; S250-E253 WeakPolarHBondContact CA-OE1 3.5Å
251G95.6Very high98.1Very high67 Ų6736.8 Ų36.869%0.69120%0.2SC*.THydrogen-bonded Turntrans89.5-6.1-176.100000114.7P249 E253P249-G251 PolarHBondContact O-N 3.23Å; G251-E253 WeakPolarHBondContact CA-OE2 3.44Å; G251-E253 VanDerWaalsContact N-CD 3.32Å; G251-E253 PolarHBondContact N-OE1 3.34Å; G251-E253 PolarHBondContact N-OE2 3.07Å
252E97.6Very high98.1Very high52 Ų5235.3 Ų35.324%0.24319%0.193CC..  trans-100.44.8175.8-66.2-160.1-159.900113.8R218 P249 Q254 R255 Y256R218-E252 IonicContact CZ-OE2 3.45Å; R218-E252 IonicContact NE-OE2 2.68Å; R218-E252 IonicContact NH2-OE1 3.35Å; R218-E252 IonicContact NH2-OE2 3.33Å; R218-E252 PolarHBondContact NH2-OE2 3.47Å; P249-E252 HydrophobicContact CB-CB 4.33Å; P249-E252 HydrophobicContact CB-CG 4.09Å; P249-E252 HydrophobicContact CG-CG 4.48Å; P249-E252 WeakPolarHBondContact O-CB 3.34Å; P249-E252 PolarHBondContact O-N 3.24Å; E252-Q254 PolarHBondContact O-N 2.86Å; E252-Q254 VanDerWaalsContact O-N 3.1Å; E252-R255 VanDerWaalsContact CD-NH1 3.32Å; E252-R255 VanDerWaalsContact O-CB 3.32Å; E252-R255 WeakPolarHBondContact O-CB 3.45Å; E252-R255 PolarHBondContact O-N 3.41Å; E252-R255 IonicContact OE1-NH1 3.9Å; E252-R255 IonicContact OE2-CZ 3.14Å; E252-R255 IonicContact OE2-NE 2.69Å; E252-R255 IonicContact OE2-NH1 3.29Å; E252-R255 PolarHBondContact OE2-NH1 3.29Å; E252-Y256 HydrophobicContact CB-CE2 4.33Å; E252-Y256 WeakPolarHBondContact O-CD2 3.23Å
253E97.5Very high98Very high22 Ų2240.7 Ų40.710%0.10322%0.219CC..G310 helixtrans-57.5-35.6-169.4-58.181.6-179.600112.6H190 L200 V248 S250 G251 R255 Y256 W273H190-E253 IonicContact NE2-OE1 3.47Å; L200-E253 HydrophobicContact CD1-CB 4.18Å; L200-E253 HydrophobicContact CD2-CG 4.37Å; V248-E253 HydrophobicContact CG2-CG 4.04Å; S250-E253 WeakPolarHBondContact CA-OE1 3.5Å; G251-E253 WeakPolarHBondContact CA-OE2 3.44Å; G251-E253 VanDerWaalsContact N-CD 3.32Å; G251-E253 PolarHBondContact N-OE1 3.34Å; G251-E253 PolarHBondContact N-OE2 3.07Å; E253-R255 PolarHBondContact O-N 3.41Å; E253-Y256 PolarHBondContact O-N 2.87Å; E253-Y256 VanDerWaalsContact O-N 3.12Å; E253-W273 HydrophobicContact CB-CE3 3.65Å; E253-W273 HydrophobicContact CB-CZ3 4.14Å; E253-W273 HydrophobicContact CG-CE3 3.74Å; E253-W273 HydrophobicContact CG-CZ3 3.88Å
254Q97.5Very high98Very high109 Ų10940.4 Ų40.451%0.50922%0.224SC..G310 helixtrans-71.6-15.8-178.9-64.3-58.2-46.300114.2E252 Y256 R272 W273E252-Q254 PolarHBondContact O-N 2.86Å; E252-Q254 VanDerWaalsContact O-N 3.1Å; Q254-Y256 PolarHBondContact O-N 3.26Å; Q254-R272 PolarHBondContact O-NE 3.11Å; Q254-R272 VanDerWaalsContact O-NE 3.12Å; Q254-W273 PolarHBondContact NE2-O 2.79Å
255R98Very high97.9Very high96 Ų9641.8 Ų41.836%0.36223%0.231SC..G310 helixtrans-73.9-17.4172.3-63.7174.868.4178.46.5112.1R218 D219 E252 E253R218-R255 WeakPolarHBondContact CA-O 3.33Å; R218-R255 HydrophobicContact CG-CB 4.41Å; D219-R255 PolarHBondContact N-O 2.85Å; D219-R255 IonicContact OD1-NE 2.73Å; D219-R255 PolarHBondContact OD1-NE 3.34Å; D219-R255 IonicContact OD2-CZ 2.67Å; D219-R255 IonicContact OD2-NE 3.52Å; D219-R255 PolarHBondContact OD2-NE 3.06Å; D219-R255 IonicContact OD2-NH2 3.65Å; D219-R255 PolarHBondContact OD2-NH2 3.46Å; E252-R255 VanDerWaalsContact CD-NH1 3.32Å; E252-R255 VanDerWaalsContact O-CB 3.32Å; E252-R255 WeakPolarHBondContact O-CB 3.45Å; E252-R255 PolarHBondContact O-N 3.41Å; E252-R255 IonicContact OE1-NH1 3.9Å; E252-R255 IonicContact OE2-CZ 3.14Å; E252-R255 IonicContact OE2-NE 2.69Å; E252-R255 IonicContact OE2-NH1 3.29Å; E252-R255 PolarHBondContact OE2-NH1 3.29Å; E253-R255 PolarHBondContact O-N 3.41Å
256Y98.5Very high97.9Very high9 Ų948 Ų484%0.03527%0.272CS..EExtended strand (participates in β ladder)trans-97.4132-177.3-67.5-97.6000111.5L200 Q217 R218 Q223 V246 V248 E252 E253 Q254L200-Y256 HydrophobicContact CD1-CG 4.45Å; Q217-Y256 CarbonylContact O-C 3.59Å; Q217-Y256 VanDerWaalsContact O-CA 3.23Å; Q217-Y256 WeakPolarHBondContact O-CA 3.48Å; R218-Y256 HydrophobicContact CB-CD1 4.04Å; R218-Y256 HydrophobicContact CB-CE1 3.79Å; R218-Y256 WeakPolarHBondContact CD-OH 3.3Å; R218-Y256 HydrophobicContact CG-CD1 4.4Å; R218-Y256 HydrophobicContact CG-CE1 3.95Å; R218-Y256 HydrophobicContact CG-CE2 4.14Å; R218-Y256 PolarHBondContact NE-OH 3.25Å; Q223-Y256 HydrophobicContact CG-CE1 4.45Å; V246-Y256 HydrophobicContact CG2-CD1 4.06Å; V246-Y256 HydrophobicContact CG2-CE1 4.46Å; V248-Y256 HydrophobicContact CB-CD2 4.02Å; V248-Y256 HydrophobicContact CB-CE2 3.66Å; V248-Y256 HydrophobicContact CG1-CD1 3.78Å; V248-Y256 HydrophobicContact CG1-CD2 3.59Å; V248-Y256 HydrophobicContact CG1-CE1 3.67Å; V248-Y256 HydrophobicContact CG1-CE2 3.5Å; V248-Y256 VanDerWaalsContact CG1-CE2 3.5Å; V248-Y256 HydrophobicContact CG1-CG 3.74Å; E252-Y256 HydrophobicContact CB-CE2 4.33Å; E252-Y256 WeakPolarHBondContact O-CD2 3.23Å; E253-Y256 PolarHBondContact O-N 2.87Å; E253-Y256 VanDerWaalsContact O-N 3.12Å; Q254-Y256 PolarHBondContact O-N 3.26Å
257T98.6Very high97.9Very high7 Ų755 Ų554%0.04330%0.302CS..EExtended strand (participates in β ladder)trans-125.4132.4174.144.80000111.1W216 Q217 H259 T270 L271 R272W216-T257 WeakPolarHBondContact CA-O 3.39Å; Q217-T257 PolarHBondContact N-O 3.18Å; Q217-T257 PolarHBondContact O-N 3.06Å; T257-H259 PolarHBondContact O-CD2 3.01Å; T257-H259 PolarHBondContact OG1-NE2 3.14Å; T257-T270 HydrophobicContact CG2-CG2 3.84Å; T257-L271 CarbonylContact C-O 3.59Å; T257-L271 VanDerWaalsContact CA-O 3.3Å; T257-L271 WeakPolarHBondContact CA-O 3.34Å; T257-R272 HydrophobicContact CG2-CG 3.61Å; T257-R272 VanDerWaalsContact CG2-NE 3.32Å; T257-R272 VanDerWaalsContact CG2-NH2 3.31Å
258C98.7Very high97.9Very high0 Ų055.2 Ų55.20%030%0.304CS..EExtended strand (participates in β ladder)trans-89.7131.1168.1175.80000109.8C202 T215 W216 T270 L271C202-C258 HydrophobicContact CB-CB 3.49Å; C202-C258 VanDerWaalsContact CB-CB 3.49Å; C202-C258 WeakPolarHBondContact CB-SG 3.34Å; C202-C258 WeakPolarHBondContact SG-CB 3.36Å; C202-C258 CovalentContact SG-SG 2.02Å; C202-C258 PolarHBondContact SG-SG 3.38Å; T215-C258 CarbonylContact O-C 3.54Å; T215-C258 WeakPolarHBondContact O-CA 3.5Å; W216-C258 HydrophobicContact CD2-CB 4.15Å; W216-C258 HydrophobicContact CE3-CB 4.11Å; W216-C258 HydrophobicContact CH2-CB 3.98Å; W216-C258 HydrophobicContact CZ2-CB 4.03Å; W216-C258 HydrophobicContact CZ3-CB 4.01Å; C258-T270 CarbonylContact O-C 3.54Å; C258-T270 WeakPolarHBondContact O-CA 3.42Å; C258-L271 HydrophobicContact CB-CB 4.37Å; C258-L271 PolarHBondContact N-O 2.88Å; C258-L271 PolarHBondContact O-N 2.9Å
259H98.6Very high97.9Very high37 Ų3757.6 Ų57.617%0.17132%0.317CS..EExtended strand (participates in β ladder)trans-110.7131.6176.6-63.8-107.1000109.8L214 T215 Q217 T257 L269 T270L214-H259 WeakPolarHBondContact CA-O 3.46Å; T215-H259 PolarHBondContact N-O 2.99Å; T215-H259 PolarHBondContact O-N 3.2Å; Q217-H259 PolarHBondContact OE1-CE1 3.07Å; Q217-H259 PolarHBondContact OE1-NE2 3.4Å; Q217-H259 VanDerWaalsContact OE1-NE2 3.16Å; T257-H259 PolarHBondContact O-CD2 3.01Å; T257-H259 PolarHBondContact OG1-NE2 3.14Å; H259-L269 WeakPolarHBondContact CA-O 3.44Å; H259-T270 PolarHBondContact ND1-OG1 2.89Å
260V98.8Very high97.9Very high0 Ų059.3 Ų59.30%033%0.327CS..EExtended strand (participates in β ladder)trans-125.9124.4-177.9-173.40000110P184 T186 I212 T213 L214 L265 P268 L269 L271P184-V260 HydrophobicContact CG-CG1 3.94Å; T186-V260 HydrophobicContact CG2-CB 4.33Å; T186-V260 HydrophobicContact CG2-CG1 4.05Å; T186-V260 HydrophobicContact CG2-CG2 3.97Å; I212-V260 HydrophobicContact CD1-CG1 4.12Å; I212-V260 HydrophobicContact CG1-CG1 4.38Å; T213-V260 WeakPolarHBondContact O-CA 3.5Å; L214-V260 HydrophobicContact CD1-CG1 4.2Å; L214-V260 HydrophobicContact CG-CG2 4.36Å; V260-L265 HydrophobicContact CG1-CD1 4.26Å; V260-P268 WeakPolarHBondContact O-CA 3.18Å; V260-L269 HydrophobicContact CB-CB 4.36Å; V260-L269 PolarHBondContact N-O 2.71Å; V260-L269 PolarHBondContact O-N 2.91Å; V260-L271 HydrophobicContact CG2-CD1 3.79Å
261Q98.7Very high98.1Very high103 Ų10358 Ų5848%0.48132%0.315SS..EExtended strand (participates in β ladder)trans-120.5132.1173.8-55.7179.4-11.700109.7I212 T213 P268I212-Q261 VanDerWaalsContact CG1-O 3.32Å; I212-Q261 WeakPolarHBondContact CG1-O 3.38Å; T213-Q261 PolarHBondContact N-O 2.87Å; T213-Q261 PolarHBondContact O-N 3.45Å; Q261-P268 HydrophobicContact CG-CB 4.07Å; Q261-P268 HydrophobicContact CG-CG 4.11Å
262H98.7Very high98.1Very high16 Ų1661.5 Ų61.57%0.07431%0.307CS..  trans-158146.5179.7-178.8-95.9000108.6D182 P184 F207 Y208 P209 E211 I212 G264 L265D182-H262 PolarHBondContact O-CE1 2.9Å; P184-H262 HydrophobicContact CG-CB 4.02Å; F207-H262 AromaticContact CD2-CD2 3.86Å; F207-H262 AromaticContact CD2-NE2 3.81Å; Y208-H262 PolarHBondContact O-CE1 3.1Å; Y208-H262 PolarHBondContact O-NE2 3.06Å; P209-H262 PolarHBondContact O-NE2 3.12Å; E211-H262 PolarHBondContact O-CD2 3.5Å; E211-H262 VanDerWaalsContact O-CD2 3.32Å; I212-H262 HydrophobicContact CD1-CB 4.42Å; I212-H262 HydrophobicContact CG1-CB 4.2Å; H262-G264 PolarHBondContact ND1-N 3.05Å; H262-G264 PolarHBondContact O-N 3.29Å; H262-L265 HydrophobicContact CB-CD1 3.99Å; H262-L265 HydrophobicContact CB-CG 4.18Å; H262-L265 WeakPolarHBondContact O-CB 3.49Å; H262-L265 PolarHBondContact O-N 3.31Å
263E97.8Very high98Very high129 Ų12966 Ų6660%0.60332%0.322SS*.THydrogen-bonded Turntrans-63.5-29-17661.6159.3-155.400114A181 P209 L265A181-E263 HydrophobicContact CB-CG 3.94Å; A181-E263 WeakPolarHBondContact CB-OE1 3.41Å; P209-E263 VanDerWaalsContact CD-CD 3.46Å; P209-E263 WeakPolarHBondContact CD-OE1 3.48Å; P209-E263 HydrophobicContact CG-CG 3.87Å; P209-E263 VanDerWaalsContact CG-OE1 3.24Å; P209-E263 WeakPolarHBondContact CG-OE1 3.37Å; E263-L265 PolarHBondContact O-N 3.24Å
264G97.6Very high98Very high20 Ų2068.2 Ų68.221%0.20633%0.333CS..THydrogen-bonded Turntrans-71.1-8.7174.200000114.3H262H262-G264 PolarHBondContact ND1-N 3.05Å; H262-G264 PolarHBondContact O-N 3.29Å
265L98.4Very high98Very high28 Ų2866 Ų6615%0.14732%0.324CS..  trans-94.4127176.9-66.1170.8000110.3P183 P184 V260 H262 E263 K267 L269P183-L265 HydrophobicContact CB-CD2 3.92Å; P183-L265 HydrophobicContact CB-CG 4.43Å; P184-L265 HydrophobicContact CG-CD1 3.91Å; P184-L265 HydrophobicContact CG-CD2 4.49Å; P184-L265 HydrophobicContact CG-CG 4.26Å; V260-L265 HydrophobicContact CG1-CD1 4.26Å; H262-L265 HydrophobicContact CB-CD1 3.99Å; H262-L265 HydrophobicContact CB-CG 4.18Å; H262-L265 WeakPolarHBondContact O-CB 3.49Å; H262-L265 PolarHBondContact O-N 3.31Å; E263-L265 PolarHBondContact O-N 3.24Å; L265-K267 WeakPolarHBondContact CB-O 3.46Å; L265-K267 PolarHBondContact O-N 3.35Å; L265-L269 HydrophobicContact CD1-CD1 4.08Å; L265-L269 HydrophobicContact CD1-CG 3.95Å; L265-L269 HydrophobicContact CD2-CD1 3.8Å; L265-L269 HydrophobicContact CD2-CG 4.05Å
266P97.7Very high98Very high134 Ų13464.3 Ų64.387%0.8732%0.321SS*.SBendtrans-67.4-22.1177.227.7-35000112.8
267K97.7Very high98Very high151 Ų15167.6 Ų67.666%0.65734%0.338SS*.SBendtrans-150.2151.2172.860-178.8179178.50109.4L265L265-K267 WeakPolarHBondContact CB-O 3.46Å; L265-K267 PolarHBondContact O-N 3.35Å
268P98.2Very high97.9Very high78 Ų7871.4 Ų71.451%0.50636%0.357SS..  trans-53.3145.6172.8-26.435.5000112.1V260 Q261V260-P268 WeakPolarHBondContact O-CA 3.18Å; Q261-P268 HydrophobicContact CG-CB 4.07Å; Q261-P268 HydrophobicContact CG-CG 4.11Å
269L98.5Very high97.9Very high51 Ų5176.1 Ų76.127%0.26738%0.381SS..EExtended strand (participates in β ladder)trans-95.8148.6174.1-60.4179000110.3T186 H259 V260 L265 L271T186-L269 HydrophobicContact CG2-CD1 4.37Å; T186-L269 WeakPolarHBondContact OG1-CD1 3.49Å; H259-L269 WeakPolarHBondContact CA-O 3.44Å; V260-L269 HydrophobicContact CB-CB 4.36Å; V260-L269 PolarHBondContact N-O 2.71Å; V260-L269 PolarHBondContact O-N 2.91Å; L265-L269 HydrophobicContact CD1-CD1 4.08Å; L265-L269 HydrophobicContact CD1-CG 3.95Å; L265-L269 HydrophobicContact CD2-CD1 3.8Å; L265-L269 HydrophobicContact CD2-CG 4.05Å; L269-L271 HydrophobicContact CB-CD1 4.06Å
270T98.5Very high97.8Very high80 Ų8078.9 Ų78.949%0.49140%0.395SS..EExtended strand (participates in β ladder)trans-128.6118.4172.4-57.50000107.7T257 C258 H259T257-T270 HydrophobicContact CG2-CG2 3.84Å; C258-T270 CarbonylContact O-C 3.54Å; C258-T270 WeakPolarHBondContact O-CA 3.42Å; H259-T270 PolarHBondContact ND1-OG1 2.89Å
271L98.1Very high97.8Very high30 Ų3085 Ų8516%0.15743%0.426CS..EExtended strand (participates in β ladder)trans-116.4147-176.3-57.7101000110.4V188 T257 C258 V260 L269V188-L271 HydrophobicContact CG2-CB 3.83Å; T257-L271 CarbonylContact C-O 3.59Å; T257-L271 VanDerWaalsContact CA-O 3.3Å; T257-L271 WeakPolarHBondContact CA-O 3.34Å; C258-L271 HydrophobicContact CB-CB 4.37Å; C258-L271 PolarHBondContact N-O 2.88Å; C258-L271 PolarHBondContact O-N 2.9Å; V260-L271 HydrophobicContact CG2-CD1 3.79Å; L269-L271 HydrophobicContact CB-CD1 4.06Å
272R97.1Very high97.7Very high139 Ų13983.5 Ų83.553%0.52542%0.421SS..  trans-123.5165.2165.2-66.9-170.7171.986.72.8108.3Q254 T257Q254-R272 PolarHBondContact O-NE 3.11Å; Q254-R272 VanDerWaalsContact O-NE 3.12Å; T257-R272 HydrophobicContact CG2-CG 3.61Å; T257-R272 VanDerWaalsContact CG2-NE 3.32Å; T257-R272 VanDerWaalsContact CG2-NH2 3.31Å
273W93.9Very high97.6Very high146 Ų14689.6 Ų89.655%0.55345%0.453SS*.  trans-71.20166175.355.2000110.9V188 H190 L200 E253 Q254V188-W273 HydrophobicContact CG1-CB 3.9Å; H190-W273 HydrophobicContact CB-CD2 3.85Å; H190-W273 VanDerWaalsContact CB-CE2 3.44Å; H190-W273 HydrophobicContact CB-CG 3.96Å; H190-W273 HydrophobicContact CB-CZ2 3.96Å; H190-W273 VanDerWaalsContact CB-NE1 3.32Å; H190-W273 AromaticContact CG-CE2 3.72Å; H190-W273 AromaticContact CG-CZ2 3.78Å; H190-W273 AromaticContact ND1-CZ2 3.82Å; L200-W273 HydrophobicContact CD2-CB 3.87Å; L200-W273 HydrophobicContact CD2-CG 4.14Å; E253-W273 HydrophobicContact CB-CE3 3.65Å; E253-W273 HydrophobicContact CB-CZ3 4.14Å; E253-W273 HydrophobicContact CG-CE3 3.74Å; E253-W273 HydrophobicContact CG-CZ3 3.88Å; Q254-W273 PolarHBondContact NE2-O 2.79Å

Retrieved 273 of 273 residues in 186.6 ms (Link to these results)

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