A0A060VCY8_HUMAN Loading...

MHC class I antigen

AlphaFold DB , UniProt , Accession A0A060VCY8, Species HUMAN (Homo sapiens, Human), Gene HLA-A, Length 340 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1S93.6Very high98Very high109 Ų10938.2 Ų38.276%0.76221%0.21SC*.  0160.1040.20000107.4V102S1-V102 WeakPolarHBondContact CA-O 3.38Å; S1-V102 VanDerWaalsContact CB-O 3.28Å; S1-V102 WeakPolarHBondContact CB-O 3.39Å
2H97.2Very high98Very high41 Ų4136.3 Ų36.319%0.1920%0.202CC..EExtended strand (participates in β ladder)trans-135.4159.6-179.6-65.1-77000110.7D28 D101 V102 L167 L171H2-D28 VanDerWaalsContact CA-OD1 3.23Å; H2-D28 WeakPolarHBondContact CA-OD1 3.45Å; H2-D28 IonicContact CE1-OD2 2.8Å; H2-D28 IonicContact CG-OD2 3.05Å; H2-D28 IonicContact ND1-OD1 3.43Å; H2-D28 IonicContact ND1-OD2 3.82Å; H2-D28 PolarHBondContact ND1-OD2 2.92Å; H2-D101 CarbonylContact O-C 3.59Å; H2-D101 WeakPolarHBondContact O-CA 3.23Å; H2-V102 HydrophobicContact CB-CG2 4.02Å; H2-V102 PolarHBondContact N-O 2.93Å; H2-V102 PolarHBondContact O-N 2.66Å; H2-L167 HydrophobicContact CB-CD1 4.41Å; H2-L171 HydrophobicContact CB-CD1 3.67Å; H2-L171 HydrophobicContact CB-CD2 3.98Å; H2-L171 HydrophobicContact CB-CG 4.4Å; H2-L171 WeakPolarHBondContact ND1-CD2 3.39Å
3S98.1Very high97.9Very high22 Ų2238.5 Ų38.515%0.15421%0.205CC..EExtended strand (participates in β ladder)trans-136.8150.2179.665.70000111.5V27 D28 C100 D101S3-V27 CarbonylContact O-C 3.51Å; S3-V27 VanDerWaalsContact O-CA 3.32Å; S3-V27 WeakPolarHBondContact O-CA 3.34Å; S3-D28 PolarHBondContact N-OD1 3.48Å; S3-D28 PolarHBondContact O-N 3.42Å; S3-D28 PolarHBondContact OG-OD1 3.03Å; S3-C100 WeakPolarHBondContact CA-O 3.32Å; S3-D101 WeakPolarHBondContact CB-OD1 3.44Å
4M98.7Very high97.5Very high0 Ų039.4 Ų39.40%021%0.214CC..EExtended strand (participates in β ladder)trans-122.9123.6166.4-176.9173.960.200108.4Y6 Y26 V27 F32 G99 C100 C163 W166 L167 Y170M4-Y6 HydrophobicContact CE-CE2 4.05Å; M4-Y6 HydrophobicContact CG-CE2 3.97Å; M4-Y6 HydrophobicContact SD-CE2 3.85Å; M4-Y26 CarbonylContact C-O 3.51Å; M4-Y26 WeakPolarHBondContact CA-O 3.42Å; M4-V27 HydrophobicContact CG-CG2 4.39Å; M4-F32 HydrophobicContact CG-CE1 4.38Å; M4-F32 HydrophobicContact CG-CZ 4.47Å; M4-F32 HydrophobicContact SD-CZ 4.23Å; M4-G99 CarbonylContact O-C 3.57Å; M4-G99 WeakPolarHBondContact O-CA 3.48Å; M4-C100 PolarHBondContact N-O 3.34Å; M4-C100 PolarHBondContact O-N 2.93Å; M4-C163 HydrophobicContact CE-CB 4.15Å; M4-C163 VanDerWaalsContact CE-O 3.23Å; M4-C163 WeakPolarHBondContact CE-O 3.4Å; M4-C163 WeakPolarHBondContact CE-SG 3.22Å; M4-W166 HydrophobicContact CE-CB 4.03Å; M4-W166 HydrophobicContact SD-CB 4.36Å; M4-L167 HydrophobicContact CB-CB 4.09Å; M4-L167 HydrophobicContact CB-CD1 4.02Å; M4-L167 HydrophobicContact CB-CD2 4.14Å; M4-L167 HydrophobicContact CB-CG 4.3Å; M4-L167 HydrophobicContact CE-CB 4.49Å; M4-Y170 HydrophobicContact SD-CD2 3.77Å; M4-Y170 HydrophobicContact SD-CE2 3.53Å; M4-Y170 VanDerWaalsContact SD-CE2 3.53Å
5R98.7Very high97Very high48 Ų4842.7 Ų42.718%0.18126%0.261CS..EExtended strand (participates in β ladder)trans-130.3136.1-177.2-56.2-62.117976.55.3111F7 G25 Y26 Y98 D101 Y112R5-F7 HydrophobicContact CB-CD2 4.46Å; R5-F7 HydrophobicContact CB-CE2 3.62Å; R5-F7 HydrophobicContact CB-CZ 3.99Å; R5-G25 CarbonylContact O-C 3.57Å; R5-G25 WeakPolarHBondContact O-CA 3.36Å; R5-Y26 PolarHBondContact N-O 2.9Å; R5-Y26 PolarHBondContact O-N 3.31Å; R5-Y98 WeakPolarHBondContact CA-O 3.29Å; R5-D101 IonicContact CZ-OD1 3.88Å; R5-D101 IonicContact NE-OD1 2.69Å; R5-D101 PolarHBondContact NE-OD1 3.48Å; R5-D101 VanDerWaalsContact NH2-CG 3.32Å; R5-D101 IonicContact NH2-OD1 3.21Å; R5-D101 PolarHBondContact NH2-OD1 3.45Å; R5-D101 IonicContact NH2-OD2 2.7Å; R5-D101 PolarHBondContact NH2-OD2 3.39Å; R5-D101 VanDerWaalsContact NH2-OD2 3.12Å; R5-Y112 VanDerWaalsContact NH2-CZ 3.3Å; R5-Y112 PolarHBondContact NH2-OH 2.96Å
6Y98.8Very high96.8Very high9 Ų953.6 Ų53.64%0.03530%0.296CS..EExtended strand (participates in β ladder)trans-113.9138.8170.5-68.2-89.2000109.5M4 Y8 V24 F32 V33 M97 Y98M4-Y6 HydrophobicContact CE-CE2 4.05Å; M4-Y6 HydrophobicContact CG-CE2 3.97Å; M4-Y6 HydrophobicContact SD-CE2 3.85Å; Y6-Y8 HydrophobicContact CD1-CE1 4.41Å; Y6-V24 CarbonylContact C-O 3.55Å; Y6-V24 WeakPolarHBondContact CA-O 3.48Å; Y6-F32 AromaticContact CE1-CZ 3.87Å; Y6-F32 HydrophobicContact CE1-CZ 3.87Å; Y6-F32 AromaticContact CZ-CZ 3.68Å; Y6-F32 WeakPolarHBondContact OH-CZ 3.29Å; Y6-V33 HydrophobicContact CE1-CG2 3.97Å; Y6-M97 WeakPolarHBondContact O-CA 3.48Å; Y6-Y98 VanDerWaalsContact CB-CZ 3.46Å; Y6-Y98 HydrophobicContact CD2-CD2 4.28Å; Y6-Y98 AromaticContact CD2-CE2 3.44Å; Y6-Y98 HydrophobicContact CD2-CE2 3.44Å; Y6-Y98 VanDerWaalsContact CD2-CE2 3.44Å; Y6-Y98 AromaticContact CD2-CZ 3.6Å; Y6-Y98 WeakPolarHBondContact CD2-OH 3.35Å; Y6-Y98 HydrophobicContact CE2-CE2 4.21Å; Y6-Y98 HydrophobicContact CG-CE1 4.27Å; Y6-Y98 AromaticContact CG-CE2 3.98Å; Y6-Y98 HydrophobicContact CG-CE2 3.98Å; Y6-Y98 AromaticContact CG-CZ 3.65Å; Y6-Y98 PolarHBondContact N-O 3.18Å; Y6-Y98 PolarHBondContact O-N 3.02Å; Y6-Y98 VanDerWaalsContact O-N 3.1Å
7F98.8Very high96.5Very high84 Ų8454 Ų5437%0.36832%0.315SS..EExtended strand (participates in β ladder)trans-126.3120.3178.2-57.2-97.1000109.2R5 A23 V24 Y26 M96 M97R5-F7 HydrophobicContact CB-CD2 4.46Å; R5-F7 HydrophobicContact CB-CE2 3.62Å; R5-F7 HydrophobicContact CB-CZ 3.99Å; F7-A23 WeakPolarHBondContact O-CA 3.34Å; F7-V24 HydrophobicContact CB-CG2 3.82Å; F7-V24 HydrophobicContact CD2-CG2 4.32Å; F7-V24 PolarHBondContact N-O 2.96Å; F7-V24 PolarHBondContact O-N 3.01Å; F7-Y26 HydrophobicContact CD2-CD2 4.21Å; F7-Y26 HydrophobicContact CE2-CD2 4.26Å; F7-M96 CarbonylContact C-O 3.57Å; F7-M96 WeakPolarHBondContact CA-O 3.5Å; F7-M97 HydrophobicContact CD1-CB 3.95Å; F7-M97 HydrophobicContact CD1-CG 3.59Å; F7-M97 HydrophobicContact CE1-CB 4.09Å; F7-M97 HydrophobicContact CE1-CG 3.32Å; F7-M97 HydrophobicContact CG-CG 4.39Å; F7-M97 HydrophobicContact CZ-CG 3.92Å
8Y98.8Very high96.4Very high15 Ų1557.1 Ų57.16%0.05933%0.326CS..EExtended strand (participates in β ladder)trans-111.9142.9176.9-57-15.3000109.3Y6 F21 I22 A23 Q69 Q95 M96 Y98Y6-Y8 HydrophobicContact CD1-CE1 4.41Å; Y8-F21 HydrophobicContact CD1-CZ 4.3Å; Y8-F21 HydrophobicContact CD2-CE2 4.41Å; Y8-F21 HydrophobicContact CD2-CZ 4.01Å; Y8-F21 HydrophobicContact CG-CE2 4.31Å; Y8-F21 AromaticContact CG-CZ 3.86Å; Y8-F21 HydrophobicContact CG-CZ 3.86Å; Y8-I22 CarbonylContact C-O 3.58Å; Y8-I22 WeakPolarHBondContact CA-O 3.45Å; Y8-A23 HydrophobicContact CD1-CB 3.25Å; Y8-A23 HydrophobicContact CE1-CB 3.42Å; Y8-A23 VanDerWaalsContact CE1-CB 3.42Å; Y8-A23 HydrophobicContact CG-CB 4.18Å; Y8-Q69 HydrophobicContact CD2-CG 3.62Å; Y8-Q69 HydrophobicContact CE2-CB 4.31Å; Y8-Q69 HydrophobicContact CE2-CG 3.76Å; Y8-Q95 WeakPolarHBondContact O-CA 3.49Å; Y8-M96 HydrophobicContact CD2-CE 4.4Å; Y8-M96 HydrophobicContact CD2-CG 3.95Å; Y8-M96 HydrophobicContact CD2-SD 3.93Å; Y8-M96 HydrophobicContact CG-CG 4.34Å; Y8-M96 PolarHBondContact N-O 3.42Å; Y8-M96 PolarHBondContact O-N 2.83Å; Y8-Y98 HydrophobicContact CD2-CE1 4.29Å; Y8-Y98 HydrophobicContact CE1-CE1 4.23Å; Y8-Y98 AromaticContact CE2-CE1 3.65Å; Y8-Y98 HydrophobicContact CE2-CE1 3.65Å; Y8-Y98 AromaticContact CZ-CE1 3.63Å; Y8-Y98 PolarHBondContact OH-OH 3.16Å
9T98.8Very high96.4Very high42 Ų4255.4 Ų55.426%0.25832%0.317SS..EExtended strand (participates in β ladder)trans-141.6124.8178.3-58.70000109.6V11 F21 I22 T93 I94 Q95T9-V11 HydrophobicContact CG2-CG2 4.12Å; T9-F21 WeakPolarHBondContact O-CA 3.47Å; T9-I22 PolarHBondContact N-O 3.36Å; T9-I22 PolarHBondContact O-N 3.33Å; T9-T93 HydrophobicContact CG2-CG2 3.89Å; T9-I94 WeakPolarHBondContact CA-O 3.26Å; T9-Q95 HydrophobicContact CG2-CG 4.14Å
10S98.6Very high96.5Very high1 Ų157 Ų571%0.00732%0.318CS..EExtended strand (participates in β ladder)trans-118.5121.3178-74.60000110.2R20 F21 D73 T93 I94S10-R20 CarbonylContact C-O 3.59Å; S10-R20 VanDerWaalsContact CA-O 3.28Å; S10-R20 WeakPolarHBondContact CA-O 3.28Å; S10-F21 WeakPolarHBondContact OG-CD2 3.43Å; S10-D73 WeakPolarHBondContact CB-OD2 3.43Å; S10-D73 WeakPolarHBondContact OG-CB 3.03Å; S10-D73 VanDerWaalsContact OG-CG 3.31Å; S10-D73 PolarHBondContact OG-OD2 3.04Å; S10-T93 CarbonylContact O-C 3.57Å; S10-T93 VanDerWaalsContact O-CA 3.27Å; S10-T93 WeakPolarHBondContact O-CA 3.39Å; S10-I94 PolarHBondContact N-O 3.35Å; S10-I94 PolarHBondContact O-N 3.45Å
11V98.4Very high96.6Very high49 Ų4954.3 Ų54.330%0.29730%0.303SS..EExtended strand (participates in β ladder)trans-116.7116.1-179.4-174.60000109.2T9 P19 R20 T93T9-V11 HydrophobicContact CG2-CG2 4.12Å; V11-P19 CarbonylContact O-C 3.55Å; V11-P19 WeakPolarHBondContact O-CA 3.33Å; V11-P19 WeakPolarHBondContact O-CB 3.35Å; V11-R20 PolarHBondContact N-O 3.38Å; V11-R20 PolarHBondContact O-N 3.48Å; V11-T93 HydrophobicContact CG2-CG2 4.1Å
12S97.6Very high96.8Very high16 Ų1651 Ų5111%0.11228%0.276CS..  trans-69145.3175.476.80000111S91 H92S12-S91 WeakPolarHBondContact O-CB 3.4Å; S12-S91 PolarHBondContact O-OG 2.86Å; S12-S91 WeakPolarHBondContact OG-CA 3.48Å; S12-H92 PolarHBondContact N-O 2.97Å; S12-H92 PolarHBondContact OG-N 2.93Å; S12-H92 PolarHBondContact OG-O 2.98Å
13R96.3Very high96.9Very high64 Ų6449 Ų4924%0.24227%0.267CS..  trans-131.170.4-174.8-62.1-175.4-76.3-163-9.4111.1G15 R16 E18 D38R13-G15 PolarHBondContact O-N 3.31Å; R13-R16 HydrophobicContact CB-CB 4.1Å; R13-R16 PolarHBondContact O-N 2.66Å; R13-E18 PolarHBondContact NE-O 3.49Å; R13-E18 PolarHBondContact NH2-O 3.33Å; R13-D38 IonicContact CZ-OD1 3.75Å; R13-D38 IonicContact CZ-OD2 3.51Å; R13-D38 IonicContact NH1-OD1 2.83Å; R13-D38 PolarHBondContact NH1-OD1 2.9Å; R13-D38 IonicContact NH1-OD2 2.8Å; R13-D38 PolarHBondContact NH1-OD2 3.49Å; R13-D38 IonicContact NH2-OD1 3.65Å; R13-D38 PolarHBondContact NH2-OD1 3.38Å; R13-D38 IonicContact NH2-OD2 3.12Å
14P92.5Very high96.9Very high52 Ų5249.1 Ų49.134%0.33827%0.267SS..THydrogen-bonded Turntrans-50.3126.6-177.5-25.432.9000112.2R16 E88 G90P14-R16 PolarHBondContact O-N 2.88Å; P14-E88 WeakPolarHBondContact CB-O 3.3Å; P14-E88 WeakPolarHBondContact CG-O 3.44Å; P14-G90 WeakPolarHBondContact CG-O 3.45Å
15G90.8Very high96.9Very high88 Ų8849.1 Ų49.191%0.90727%0.267SS*.THydrogen-bonded Turntrans71.15.5-178.800000116R13R13-G15 PolarHBondContact O-N 3.31Å
16R92.8Very high96.9Very high217 Ų21750.1 Ų50.182%0.81927%0.271SS*.SBendtrans-127.324.6-178.6-59.3-177.8-177.2-178.91.1113.3R13 P14R13-R16 HydrophobicContact CB-CB 4.1Å; R13-R16 PolarHBondContact O-N 2.66Å; P14-R16 PolarHBondContact O-N 2.88Å
17G91.7Very high96.9Very high61 Ų6149.7 Ų49.763%0.62927%0.27SS*.SBendtrans95.5-160.1177.300000114
18E94.3Very high96.8Very high110 Ų11047.2 Ų47.251%0.51426%0.26SS..SBendtrans-66.9154-178.1-65.2-67163.300112R13 R20 R74R13-E18 PolarHBondContact NE-O 3.49Å; R13-E18 PolarHBondContact NH2-O 3.33Å; E18-R20 PolarHBondContact O-N 3.47Å; E18-R74 IonicContact OE1-NH1 2.72Å; E18-R74 PolarHBondContact OE1-NH1 2.86Å; E18-R74 WeakPolarHBondContact OE2-CD 3.21Å; E18-R74 IonicContact OE2-CZ 2.71Å; E18-R74 IonicContact OE2-NE 2.71Å; E18-R74 IonicContact OE2-NH1 3.12Å; E18-R74 PolarHBondContact OE2-NH1 3Å
19P96.9Very high96.6Very high24 Ų2449.6 Ų49.616%0.15627%0.274CS..PPolyproline II helixtrans-52.6141.7172-25.635.1000112.2V11 R74 L77V11-P19 CarbonylContact O-C 3.55Å; V11-P19 WeakPolarHBondContact O-CA 3.33Å; V11-P19 WeakPolarHBondContact O-CB 3.35Å; P19-R74 HydrophobicContact CG-CB 4.41Å; P19-R74 HydrophobicContact CG-CG 4.17Å; P19-L77 HydrophobicContact CB-CD1 3.61Å; P19-L77 HydrophobicContact CG-CD1 3.64Å
20R98.2Very high96.4Very high87 Ų8748.7 Ų48.733%0.32827%0.268SS..EExtended strand (participates in β ladder)trans-79.5126.2171.6-169.6175.9178.1-176.5-1.8108.5S10 V11 E18 I22 D36 S37 D38S10-R20 CarbonylContact C-O 3.59Å; S10-R20 VanDerWaalsContact CA-O 3.28Å; S10-R20 WeakPolarHBondContact CA-O 3.28Å; V11-R20 PolarHBondContact N-O 3.38Å; V11-R20 PolarHBondContact O-N 3.48Å; E18-R20 PolarHBondContact O-N 3.47Å; R20-I22 HydrophobicContact CG-CG1 4.31Å; R20-D36 IonicContact CZ-OD1 3.93Å; R20-D36 IonicContact CZ-OD2 3.54Å; R20-D36 IonicContact NE-OD1 3.45Å; R20-D36 PolarHBondContact NE-OD1 2.97Å; R20-D36 VanDerWaalsContact NE-OD1 3.12Å; R20-D36 IonicContact NE-OD2 3.69Å; R20-D36 IonicContact NH2-OD1 3.72Å; R20-D36 IonicContact NH2-OD2 3.32Å; R20-D36 PolarHBondContact NH2-OD2 3.49Å; R20-S37 WeakPolarHBondContact CA-OG 3.43Å; R20-D38 VanDerWaalsContact CD-OD2 3.3Å; R20-D38 WeakPolarHBondContact CD-OD2 3.27Å; R20-D38 IonicContact NE-OD2 3.88Å
21F98.7Very high96.4Very high1 Ų151 Ų510%0.00428%0.279CS..EExtended strand (participates in β ladder)trans-111.4125.6174.6178.5-86.3000109.9Y8 T9 S10 A23 F35 S37 V66 Q69 S70 D73Y8-F21 HydrophobicContact CD1-CZ 4.3Å; Y8-F21 HydrophobicContact CD2-CE2 4.41Å; Y8-F21 HydrophobicContact CD2-CZ 4.01Å; Y8-F21 HydrophobicContact CG-CE2 4.31Å; Y8-F21 AromaticContact CG-CZ 3.86Å; Y8-F21 HydrophobicContact CG-CZ 3.86Å; T9-F21 WeakPolarHBondContact O-CA 3.47Å; S10-F21 WeakPolarHBondContact OG-CD2 3.43Å; F21-A23 HydrophobicContact CE1-CB 3.59Å; F21-A23 HydrophobicContact CZ-CB 3.97Å; F21-F35 AromaticContact CD1-CD1 3.67Å; F21-F35 HydrophobicContact CD1-CD1 3.67Å; F21-F35 AromaticContact CD1-CE1 3.77Å; F21-F35 HydrophobicContact CD1-CE1 3.77Å; F21-F35 AromaticContact CE1-CD1 3.98Å; F21-F35 HydrophobicContact CE1-CD1 3.98Å; F21-F35 HydrophobicContact CE1-CE1 4.36Å; F21-S37 PolarHBondContact N-OG 3.45Å; F21-S37 PolarHBondContact O-N 3.44Å; F21-S37 PolarHBondContact O-OG 3.42Å; F21-V66 HydrophobicContact CE1-CB 4.05Å; F21-Q69 HydrophobicContact CE2-CB 4.38Å; F21-Q69 HydrophobicContact CE2-CG 3.97Å; F21-Q69 HydrophobicContact CZ-CB 4.24Å; F21-Q69 HydrophobicContact CZ-CG 4.1Å; F21-S70 WeakPolarHBondContact CB-OG 2.94Å; F21-D73 WeakPolarHBondContact CE2-OD2 3.24Å
22I98.8Very high96.4Very high39 Ų3948.7 Ų48.720%0.227%0.265CS..EExtended strand (participates in β ladder)trans-122.6132.3173.8-57.9175000107.9Y8 T9 R20 V24 F35Y8-I22 CarbonylContact C-O 3.58Å; Y8-I22 WeakPolarHBondContact CA-O 3.45Å; T9-I22 PolarHBondContact N-O 3.36Å; T9-I22 PolarHBondContact O-N 3.33Å; R20-I22 HydrophobicContact CG-CG1 4.31Å; I22-V24 HydrophobicContact CG2-CG1 4.37Å; I22-F35 WeakPolarHBondContact CA-O 3.32Å
23A98.8Very high96.4Very high1 Ų148 Ų481%0.00826%0.26CS..EExtended strand (participates in β ladder)trans-125.1137.2171.500000110.4F7 Y8 F21 R34 F35 V66F7-A23 WeakPolarHBondContact O-CA 3.34Å; Y8-A23 HydrophobicContact CD1-CB 3.25Å; Y8-A23 HydrophobicContact CE1-CB 3.42Å; Y8-A23 VanDerWaalsContact CE1-CB 3.42Å; Y8-A23 HydrophobicContact CG-CB 4.18Å; F21-A23 HydrophobicContact CE1-CB 3.59Å; F21-A23 HydrophobicContact CZ-CB 3.97Å; A23-R34 CarbonylContact O-C 3.55Å; A23-R34 VanDerWaalsContact O-CA 3.3Å; A23-R34 WeakPolarHBondContact O-CA 3.37Å; A23-F35 HydrophobicContact CB-CB 4.24Å; A23-F35 PolarHBondContact N-O 2.96Å; A23-F35 PolarHBondContact O-N 3.45Å; A23-V66 HydrophobicContact CB-CG1 4.15Å
24V98.8Very high96.5Very high24 Ų2448 Ų4815%0.14526%0.26CS..EExtended strand (participates in β ladder)trans-133.8146.2174.5-62.40000110.1Y6 F7 I22 Y26 Q31 V33 R34Y6-V24 CarbonylContact C-O 3.55Å; Y6-V24 WeakPolarHBondContact CA-O 3.48Å; F7-V24 HydrophobicContact CB-CG2 3.82Å; F7-V24 HydrophobicContact CD2-CG2 4.32Å; F7-V24 PolarHBondContact N-O 2.96Å; F7-V24 PolarHBondContact O-N 3.01Å; I22-V24 HydrophobicContact CG2-CG1 4.37Å; V24-Y26 HydrophobicContact CB-CE2 4.04Å; V24-Y26 HydrophobicContact CG2-CD2 4.34Å; V24-Y26 HydrophobicContact CG2-CE2 3.79Å; V24-Q31 VanDerWaalsContact CG1-NE2 3.26Å; V24-V33 WeakPolarHBondContact CA-O 3.43Å; V24-R34 HydrophobicContact CG1-CB 4.5Å; V24-R34 HydrophobicContact CG1-CG 4.22Å
25G98.7Very high96.8Very high0 Ų045.8 Ų45.80%025%0.245CC..EExtended strand (participates in β ladder)trans-124.8138.2176.200000110.7R5 Q31 F32 V33R5-G25 CarbonylContact O-C 3.57Å; R5-G25 WeakPolarHBondContact O-CA 3.36Å; G25-Q31 WeakPolarHBondContact O-CA 3.33Å; G25-F32 WeakPolarHBondContact O-CD1 3.43Å; G25-F32 PolarHBondContact O-N 2.91Å; G25-V33 PolarHBondContact N-O 3.24Å; G25-V33 VanDerWaalsContact N-O 3.09Å; G25-V33 PolarHBondContact O-N 2.89Å
26Y98.6Very high97.2Very high69 Ų6942.5 Ų42.527%0.27121%0.207SC..EExtended strand (participates in β ladder)trans-125.6141179-73.7-102.1000110.6M4 R5 F7 V24 T30 Q31 F32M4-Y26 CarbonylContact C-O 3.51Å; M4-Y26 WeakPolarHBondContact CA-O 3.42Å; R5-Y26 PolarHBondContact N-O 2.9Å; R5-Y26 PolarHBondContact O-N 3.31Å; F7-Y26 HydrophobicContact CD2-CD2 4.21Å; F7-Y26 HydrophobicContact CE2-CD2 4.26Å; V24-Y26 HydrophobicContact CB-CE2 4.04Å; V24-Y26 HydrophobicContact CG2-CD2 4.34Å; V24-Y26 HydrophobicContact CG2-CE2 3.79Å; Y26-T30 WeakPolarHBondContact CA-O 3.44Å; Y26-T30 VanDerWaalsContact CD1-C 3.46Å; Y26-Q31 HydrophobicContact CD1-CB 3.98Å; Y26-Q31 VanDerWaalsContact CD1-N 3.28Å; Y26-Q31 HydrophobicContact CD2-CG 4.42Å; Y26-Q31 HydrophobicContact CE1-CB 3.48Å; Y26-Q31 VanDerWaalsContact CE1-CB 3.48Å; Y26-Q31 HydrophobicContact CE1-CG 4.18Å; Y26-Q31 HydrophobicContact CE2-CB 4.16Å; Y26-Q31 HydrophobicContact CE2-CG 3.92Å; Y26-Q31 HydrophobicContact CG-CB 4.49Å; Y26-F32 VanDerWaalsContact N-CE1 3.35Å
27V98.4Very high97.5Very high0 Ų033 Ų330%017%0.173CC..EExtended strand (participates in β ladder)trans-107.6119.7156.6176.80000105.9S3 M4 D29 T30 F32 W50 L167 Y170 L171 L178S3-V27 CarbonylContact O-C 3.51Å; S3-V27 VanDerWaalsContact O-CA 3.32Å; S3-V27 WeakPolarHBondContact O-CA 3.34Å; M4-V27 HydrophobicContact CG-CG2 4.39Å; V27-D29 PolarHBondContact O-N 3.32Å; V27-T30 PolarHBondContact N-O 3.48Å; V27-T30 WeakPolarHBondContact O-CB 3.27Å; V27-T30 PolarHBondContact O-N 2.92Å; V27-F32 HydrophobicContact CG2-CD1 4Å; V27-F32 HydrophobicContact CG2-CE1 3.99Å; V27-W50 HydrophobicContact CB-CH2 4.46Å; V27-W50 HydrophobicContact CG2-CH2 3.95Å; V27-L167 HydrophobicContact CG1-CD1 3.64Å; V27-L167 HydrophobicContact CG2-CD1 4.28Å; V27-Y170 HydrophobicContact CG2-CD2 3.96Å; V27-Y170 HydrophobicContact CG2-CG 4.48Å; V27-L171 HydrophobicContact CG1-CD2 4.05Å; V27-L178 HydrophobicContact CB-CD1 4.27Å; V27-L178 HydrophobicContact CB-CD2 4.13Å; V27-L178 HydrophobicContact CG1-CD1 3.91Å; V27-L178 HydrophobicContact CG1-CD2 4.1Å
28D96.2Very high97.7Very high31 Ų3133.8 Ų33.817%0.16616%0.163CC..THydrogen-bonded Turntrans47.7-123.6-166.5-54.5-42000110.5H2 S3 T30H2-D28 VanDerWaalsContact CA-OD1 3.23Å; H2-D28 WeakPolarHBondContact CA-OD1 3.45Å; H2-D28 IonicContact CE1-OD2 2.8Å; H2-D28 IonicContact CG-OD2 3.05Å; H2-D28 IonicContact ND1-OD1 3.43Å; H2-D28 IonicContact ND1-OD2 3.82Å; H2-D28 PolarHBondContact ND1-OD2 2.92Å; S3-D28 PolarHBondContact N-OD1 3.48Å; S3-D28 PolarHBondContact O-N 3.42Å; S3-D28 PolarHBondContact OG-OD1 3.03Å; D28-T30 VanDerWaalsContact C-N 3.33Å
29D94.4Very high97.9Very high66 Ų6630.1 Ų30.135%0.35315%0.151SC..THydrogen-bonded Turntrans-92.510.5-179.7-51.6-57.9000113.4V27 A210 F240V27-D29 PolarHBondContact O-N 3.32Å; D29-A210 HydrophobicContact CB-CB 4.12Å; D29-A210 VanDerWaalsContact CG-CB 3.45Å; D29-A210 VanDerWaalsContact OD2-CB 3.31Å; D29-A210 WeakPolarHBondContact OD2-CB 3.43Å; D29-A210 PolarHBondContact OD2-N 3.01Å; D29-F240 HydrophobicContact CB-CE1 4.48Å; D29-F240 HydrophobicContact CB-CE2 3.83Å; D29-F240 HydrophobicContact CB-CZ 3.49Å; D29-F240 VanDerWaalsContact CB-CZ 3.49Å
30T96.1Very high97.8Very high22 Ų2234.4 Ų34.414%0.13519%0.189CC..EExtended strand (participates in β ladder)trans-109.8113.8-173.5-54.10000112Y26 V27 D28 F32 L178 Y208Y26-T30 WeakPolarHBondContact CA-O 3.44Å; Y26-T30 VanDerWaalsContact CD1-C 3.46Å; V27-T30 PolarHBondContact N-O 3.48Å; V27-T30 WeakPolarHBondContact O-CB 3.27Å; V27-T30 PolarHBondContact O-N 2.92Å; D28-T30 VanDerWaalsContact C-N 3.33Å; T30-F32 PolarHBondContact O-N 3.34Å; T30-L178 HydrophobicContact CG2-CD2 4.09Å; T30-Y208 WeakPolarHBondContact OG1-CE2 3.34Å; T30-Y208 PolarHBondContact OG1-OH 3.15Å
31Q97.4Very high97.6Very high50 Ų5032.8 Ų32.823%0.23419%0.191CC..EExtended strand (participates in β ladder)trans-67.7130.6175.1-165.8179.14.500110.4V24 G25 Y26 V33 R47V24-Q31 VanDerWaalsContact CG1-NE2 3.26Å; G25-Q31 WeakPolarHBondContact O-CA 3.33Å; Y26-Q31 HydrophobicContact CD1-CB 3.98Å; Y26-Q31 VanDerWaalsContact CD1-N 3.28Å; Y26-Q31 HydrophobicContact CD2-CG 4.42Å; Y26-Q31 HydrophobicContact CE1-CB 3.48Å; Y26-Q31 VanDerWaalsContact CE1-CB 3.48Å; Y26-Q31 HydrophobicContact CE1-CG 4.18Å; Y26-Q31 HydrophobicContact CE2-CB 4.16Å; Y26-Q31 HydrophobicContact CE2-CG 3.92Å; Y26-Q31 HydrophobicContact CG-CB 4.49Å; Q31-V33 PolarHBondContact NE2-O 3.26Å; Q31-R47 HydrophobicContact CB-CB 4.47Å; Q31-R47 HydrophobicContact CG-CB 4.1Å; Q31-R47 HydrophobicContact CG-CG 4.34Å
32F98.2Very high97.5Very high0 Ų037.1 Ų37.10%021%0.211CC..EExtended strand (participates in β ladder)trans-120.7-21.5179.573.5-82.9000114.2M4 Y6 G25 Y26 V27 T30 R47 A48 W50 I51 Y170M4-F32 HydrophobicContact CG-CE1 4.38Å; M4-F32 HydrophobicContact CG-CZ 4.47Å; M4-F32 HydrophobicContact SD-CZ 4.23Å; Y6-F32 AromaticContact CE1-CZ 3.87Å; Y6-F32 HydrophobicContact CE1-CZ 3.87Å; Y6-F32 AromaticContact CZ-CZ 3.68Å; Y6-F32 WeakPolarHBondContact OH-CZ 3.29Å; G25-F32 WeakPolarHBondContact O-CD1 3.43Å; G25-F32 PolarHBondContact O-N 2.91Å; Y26-F32 VanDerWaalsContact N-CE1 3.35Å; V27-F32 HydrophobicContact CG2-CD1 4Å; V27-F32 HydrophobicContact CG2-CE1 3.99Å; T30-F32 PolarHBondContact O-N 3.34Å; F32-R47 PolarHBondContact O-N 3.16Å; F32-A48 HydrophobicContact CB-CB 4.17Å; F32-W50 HydrophobicContact CB-CH2 3.13Å; F32-W50 HydrophobicContact CB-CZ2 3.37Å; F32-W50 HydrophobicContact CB-CZ3 3.95Å; F32-W50 HydrophobicContact CD1-CH2 4.09Å; F32-W50 AromaticContact CD2-CH2 3.88Å; F32-W50 HydrophobicContact CD2-CH2 3.88Å; F32-W50 HydrophobicContact CD2-CZ3 4.16Å; F32-W50 AromaticContact CG-CH2 3.47Å; F32-W50 HydrophobicContact CG-CH2 3.47Å; F32-W50 VanDerWaalsContact CG-CH2 3.47Å; F32-W50 HydrophobicContact CG-CZ2 4.16Å; F32-W50 HydrophobicContact CG-CZ3 4.2Å; F32-I51 HydrophobicContact CD2-CB 4.48Å; F32-I51 HydrophobicContact CD2-CD1 3.93Å; F32-I51 HydrophobicContact CD2-CG1 4.01Å; F32-I51 HydrophobicContact CE2-CD1 4.33Å; F32-I51 VanDerWaalsContact O-CG2 3.23Å; F32-I51 WeakPolarHBondContact O-CG2 3.44Å; F32-Y170 HydrophobicContact CD2-CE2 4.48Å; F32-Y170 HydrophobicContact CE2-CD2 4.25Å; F32-Y170 AromaticContact CE2-CE2 3.66Å; F32-Y170 HydrophobicContact CE2-CE2 3.66Å; F32-Y170 AromaticContact CE2-CZ 3.97Å; F32-Y170 HydrophobicContact CZ-CD2 4.31Å; F32-Y170 AromaticContact CZ-CE2 3.82Å; F32-Y170 HydrophobicContact CZ-CE2 3.82Å
33V98.6Very high97.4Very high1 Ų142.7 Ų42.71%0.00623%0.23CC..EExtended strand (participates in β ladder)trans-141.1153.6176.4-72.30000112.8Y6 V24 G25 Q31 M44 E45 I51 W59Y6-V33 HydrophobicContact CE1-CG2 3.97Å; V24-V33 WeakPolarHBondContact CA-O 3.43Å; G25-V33 PolarHBondContact N-O 3.24Å; G25-V33 VanDerWaalsContact N-O 3.09Å; G25-V33 PolarHBondContact O-N 2.89Å; Q31-V33 PolarHBondContact NE2-O 3.26Å; V33-M44 HydrophobicContact CB-CG 4.15Å; V33-M44 HydrophobicContact CB-SD 3.67Å; V33-M44 HydrophobicContact CG1-CG 4.18Å; V33-M44 HydrophobicContact CG1-SD 4.35Å; V33-M44 HydrophobicContact CG2-SD 4.12Å; V33-E45 WeakPolarHBondContact CA-O 3.31Å; V33-I51 HydrophobicContact CG1-CG1 4.35Å; V33-W59 HydrophobicContact CG1-CH2 4.16Å; V33-W59 HydrophobicContact CG1-CZ3 3.93Å
34R98.6Very high97.4Very high66 Ų6643 Ų4325%0.24923%0.231CC..EExtended strand (participates in β ladder)trans-145.1144.3172.4179.9173.7170.899.15.4111.4A23 V24 D36 M44 E45 R47A23-R34 CarbonylContact O-C 3.55Å; A23-R34 VanDerWaalsContact O-CA 3.3Å; A23-R34 WeakPolarHBondContact O-CA 3.37Å; V24-R34 HydrophobicContact CG1-CB 4.5Å; V24-R34 HydrophobicContact CG1-CG 4.22Å; R34-D36 IonicContact CZ-OD2 3.11Å; R34-D36 IonicContact NH2-OD2 2.72Å; R34-D36 PolarHBondContact NH2-OD2 2.99Å; R34-M44 VanDerWaalsContact C-SD 3.57Å; R34-E45 PolarHBondContact N-O 2.98Å; R34-E45 PolarHBondContact O-N 3.39Å; R34-R47 HydrophobicContact CB-CG 3.87Å
35F98.8Very high97.4Very high4 Ų444.7 Ų44.72%0.01824%0.237CC..EExtended strand (participates in β ladder)trans-130.5144.2164.4175.9-82.3000109.5F21 I22 A23 Q42 R43 M44 V66 K67F21-F35 AromaticContact CD1-CD1 3.67Å; F21-F35 HydrophobicContact CD1-CD1 3.67Å; F21-F35 AromaticContact CD1-CE1 3.77Å; F21-F35 HydrophobicContact CD1-CE1 3.77Å; F21-F35 AromaticContact CE1-CD1 3.98Å; F21-F35 HydrophobicContact CE1-CD1 3.98Å; F21-F35 HydrophobicContact CE1-CE1 4.36Å; I22-F35 WeakPolarHBondContact CA-O 3.32Å; A23-F35 HydrophobicContact CB-CB 4.24Å; A23-F35 PolarHBondContact N-O 2.96Å; A23-F35 PolarHBondContact O-N 3.45Å; F35-Q42 VanDerWaalsContact CE2-C 3.46Å; F35-Q42 HydrophobicContact CE2-CB 4.46Å; F35-Q42 WeakPolarHBondContact CE2-O 3.37Å; F35-Q42 HydrophobicContact CZ-CB 4.46Å; F35-R43 WeakPolarHBondContact CD2-O 3.27Å; F35-M44 HydrophobicContact CB-CE 4.39Å; F35-M44 HydrophobicContact CB-SD 4.03Å; F35-V66 HydrophobicContact CB-CG2 4.01Å; F35-V66 HydrophobicContact CD1-CG2 4.14Å; F35-V66 HydrophobicContact CD2-CG2 3.39Å; F35-V66 HydrophobicContact CE1-CG2 4.5Å; F35-V66 HydrophobicContact CE2-CG2 3.8Å; F35-V66 HydrophobicContact CG-CB 4.33Å; F35-V66 HydrophobicContact CG-CG2 3.58Å; F35-V66 HydrophobicContact CZ-CG2 4.35Å; F35-K67 HydrophobicContact CE2-CG 4.15Å; F35-K67 HydrophobicContact CZ-CG 4.04Å
36D98.6Very high97.4Very high20 Ų2046.8 Ų46.811%0.10725%0.251CS..EExtended strand (participates in β ladder)trans-138.9122.7174.3-163.1-31.5000109.1R20 R34 D38 A39R20-D36 IonicContact CZ-OD1 3.93Å; R20-D36 IonicContact CZ-OD2 3.54Å; R20-D36 IonicContact NE-OD1 3.45Å; R20-D36 PolarHBondContact NE-OD1 2.97Å; R20-D36 VanDerWaalsContact NE-OD1 3.12Å; R20-D36 IonicContact NE-OD2 3.69Å; R20-D36 IonicContact NH2-OD1 3.72Å; R20-D36 IonicContact NH2-OD2 3.32Å; R20-D36 PolarHBondContact NH2-OD2 3.49Å; R34-D36 IonicContact CZ-OD2 3.11Å; R34-D36 IonicContact NH2-OD2 2.72Å; R34-D36 PolarHBondContact NH2-OD2 2.99Å; D36-D38 PolarHBondContact O-N 3.09Å; D36-D38 PolarHBondContact OD1-N 2.91Å; D36-A39 HydrophobicContact CB-CB 4.14Å; D36-A39 WeakPolarHBondContact O-CB 3.07Å; D36-A39 PolarHBondContact O-N 3.33Å; D36-A39 VanDerWaalsContact O-N 3.12Å
37S98.1Very high97.3Very high16 Ų1648.3 Ų48.311%0.11226%0.256CS..THydrogen-bonded Turntrans-63.8-23.8-179.3640000113.1R20 F21 Q42R20-S37 WeakPolarHBondContact CA-OG 3.43Å; F21-S37 PolarHBondContact N-OG 3.45Å; F21-S37 PolarHBondContact O-N 3.44Å; F21-S37 PolarHBondContact O-OG 3.42Å; S37-Q42 PolarHBondContact O-NE2 3.47Å
38D97.3Very high97.2Very high79 Ų7948.5 Ų48.542%0.42226%0.258SS..THydrogen-bonded Turntrans-87-8.7179.6-69.1-0.1000112.3R13 R20 D36R13-D38 IonicContact CZ-OD1 3.75Å; R13-D38 IonicContact CZ-OD2 3.51Å; R13-D38 IonicContact NH1-OD1 2.83Å; R13-D38 PolarHBondContact NH1-OD1 2.9Å; R13-D38 IonicContact NH1-OD2 2.8Å; R13-D38 PolarHBondContact NH1-OD2 3.49Å; R13-D38 IonicContact NH2-OD1 3.65Å; R13-D38 PolarHBondContact NH2-OD1 3.38Å; R13-D38 IonicContact NH2-OD2 3.12Å; R20-D38 VanDerWaalsContact CD-OD2 3.3Å; R20-D38 WeakPolarHBondContact CD-OD2 3.27Å; R20-D38 IonicContact NE-OD2 3.88Å; D36-D38 PolarHBondContact O-N 3.09Å; D36-D38 PolarHBondContact OD1-N 2.91Å
39A97.1Very high97.2Very high32 Ų3252 Ų5226%0.26428%0.283SS..SBendtrans-71142.7176.200000111.1D36 S41 Q42D36-A39 HydrophobicContact CB-CB 4.14Å; D36-A39 WeakPolarHBondContact O-CB 3.07Å; D36-A39 PolarHBondContact O-N 3.33Å; D36-A39 VanDerWaalsContact O-N 3.12Å; A39-S41 VanDerWaalsContact C-N 3.26Å; A39-S41 PolarHBondContact O-N 3.06Å; A39-Q42 WeakPolarHBondContact O-CG 3.3Å; A39-Q42 PolarHBondContact O-N 3.16Å; A39-Q42 VanDerWaalsContact O-N 3.12Å
40A96.3Very high97.3Very high114 Ų11449.6 Ų49.694%0.94227%0.269SS*.THydrogen-bonded Turntrans-61-33-179.300000113.5
41S93.8Very high97.4Very high54 Ų5448.6 Ų48.638%0.37826%0.262SS..THydrogen-bonded Turntrans-71.3-32.3178.662.10000112.3A39 R43 E45A39-S41 VanDerWaalsContact C-N 3.26Å; A39-S41 PolarHBondContact O-N 3.06Å; S41-R43 WeakPolarHBondContact O-CG 3.27Å; S41-R43 PolarHBondContact O-N 2.89Å; S41-R43 VanDerWaalsContact O-N 3.16Å; S41-E45 PolarHBondContact OG-OE1 2.81Å
42Q96Very high97.4Very high91 Ų9152.1 Ų52.143%0.42528%0.279SS..  trans37.350.6-167.4-60.2-172.1-25.900111.8F35 S37 A39 K67F35-Q42 VanDerWaalsContact CE2-C 3.46Å; F35-Q42 HydrophobicContact CE2-CB 4.46Å; F35-Q42 WeakPolarHBondContact CE2-O 3.37Å; F35-Q42 HydrophobicContact CZ-CB 4.46Å; S37-Q42 PolarHBondContact O-NE2 3.47Å; A39-Q42 WeakPolarHBondContact O-CG 3.3Å; A39-Q42 PolarHBondContact O-N 3.16Å; A39-Q42 VanDerWaalsContact O-N 3.12Å; Q42-K67 WeakPolarHBondContact O-CE 3.38Å; Q42-K67 PolarHBondContact O-NZ 3.15Å
43R97.9Very high97.2Very high156 Ų15657.8 Ų57.859%0.58931%0.305SS*.SBendtrans-125.5155.8179.7-82.6175.7174.5163.4-0.1110.1F35 S41 E45 T63F35-R43 WeakPolarHBondContact CD2-O 3.27Å; S41-R43 WeakPolarHBondContact O-CG 3.27Å; S41-R43 PolarHBondContact O-N 2.89Å; S41-R43 VanDerWaalsContact O-N 3.16Å; R43-E45 PolarHBondContact O-N 3.47Å; R43-T63 HydrophobicContact CB-CG2 4.48Å; R43-T63 HydrophobicContact CG-CG2 4.11Å
44M98.3Very high97.2Very high9 Ų958.2 Ų58.24%0.04431%0.307CS..  trans-68.2127.6167-174.165.783.300108.1V33 R34 F35 W59 N62 T63 V66V33-M44 HydrophobicContact CB-CG 4.15Å; V33-M44 HydrophobicContact CB-SD 3.67Å; V33-M44 HydrophobicContact CG1-CG 4.18Å; V33-M44 HydrophobicContact CG1-SD 4.35Å; V33-M44 HydrophobicContact CG2-SD 4.12Å; R34-M44 VanDerWaalsContact C-SD 3.57Å; F35-M44 HydrophobicContact CB-CE 4.39Å; F35-M44 HydrophobicContact CB-SD 4.03Å; M44-W59 HydrophobicContact CB-CE3 4.27Å; M44-W59 HydrophobicContact CG-CE3 4.12Å; M44-W59 HydrophobicContact CG-CZ3 3.99Å; M44-N62 HydrophobicContact CB-CB 4.27Å; M44-N62 HydrophobicContact CE-CB 4.35Å; M44-N62 HydrophobicContact CG-CB 4.18Å; M44-T63 PolarHBondContact N-OG1 3.37Å; M44-V66 HydrophobicContact CE-CB 4.39Å; M44-V66 HydrophobicContact CE-CG1 3.36Å; M44-V66 HydrophobicContact CE-CG2 4.19Å
45E98.2Very high97.1Very high58 Ų5856.8 Ų56.827%0.27131%0.313SS..EExtended strand (participates in β ladder)trans-117.7142.9-175.1-63.5176.3173.400111V33 R34 S41 R43 R47V33-E45 WeakPolarHBondContact CA-O 3.31Å; R34-E45 PolarHBondContact N-O 2.98Å; R34-E45 PolarHBondContact O-N 3.39Å; S41-E45 PolarHBondContact OG-OE1 2.81Å; R43-E45 PolarHBondContact O-N 3.47Å; E45-R47 IonicContact OE2-CZ 2.73Å; E45-R47 IonicContact OE2-NH1 2.79Å; E45-R47 PolarHBondContact OE2-NH1 3.18Å; E45-R47 VanDerWaalsContact OE2-NH1 3.11Å; E45-R47 IonicContact OE2-NH2 3.75Å; E45-R47 PolarHBondContact OE2-NH2 3.05Å
46P98.2Very high97Very high44 Ų4461.3 Ų61.329%0.28634%0.342SS..EExtended strand (participates in β ladder)trans-67.3147.9174.428.6-34.2000111.3I51 E52 W59P46-I51 HydrophobicContact CB-CG2 3.63Å; P46-E52 HydrophobicContact CB-CG 3.76Å; P46-E52 HydrophobicContact CG-CG 4.01Å; P46-W59 HydrophobicContact CB-CH2 3.62Å; P46-W59 HydrophobicContact CB-CZ2 4.05Å; P46-W59 HydrophobicContact CB-CZ3 4.47Å; P46-W59 HydrophobicContact CG-CH2 4.24Å; P46-W59 HydrophobicContact CG-CZ2 4.46Å
47R97.4Very high97Very high101 Ų10168.3 Ų68.338%0.38138%0.375SS..  trans-129.61.9172.3-65.4-63.9-178.7-91.52.8113.3Q31 F32 R34 E45Q31-R47 HydrophobicContact CB-CB 4.47Å; Q31-R47 HydrophobicContact CG-CB 4.1Å; Q31-R47 HydrophobicContact CG-CG 4.34Å; F32-R47 PolarHBondContact O-N 3.16Å; R34-R47 HydrophobicContact CB-CG 3.87Å; E45-R47 IonicContact OE2-CZ 2.73Å; E45-R47 IonicContact OE2-NH1 2.79Å; E45-R47 PolarHBondContact OE2-NH1 3.18Å; E45-R47 VanDerWaalsContact OE2-NH1 3.11Å; E45-R47 IonicContact OE2-NH2 3.75Å; E45-R47 PolarHBondContact OE2-NH2 3.05Å
48A96.1Very high97Very high5 Ų568.1 Ų68.14%0.04137%0.371CS..SBendtrans-139.8143.3173.700000110.7F32 W50 I51F32-A48 HydrophobicContact CB-CB 4.17Å; A48-W50 VanDerWaalsContact C-N 3.29Å; A48-W50 HydrophobicContact CB-CD2 4.15Å; A48-W50 HydrophobicContact CB-CG 4.35Å; A48-W50 HydrophobicContact CB-CZ2 3.98Å; A48-W50 PolarHBondContact O-N 3.23Å; A48-I51 WeakPolarHBondContact O-CG2 3.42Å; A48-I51 PolarHBondContact O-N 3.17Å
49P96.3Very high97.1Very high104 Ų10466.4 Ų66.468%0.67536%0.359SS*.G310 helixtrans-58.5-38-177.4-26.635000113.7I51 E52P49-I51 PolarHBondContact O-N 3.33Å; P49-E52 WeakPolarHBondContact O-CB 3.37Å; P49-E52 PolarHBondContact O-N 3.02Å; P49-E52 VanDerWaalsContact O-N 3.09Å
50W96.4Very high97.1Very high16 Ų1668.9 Ų68.96%0.06137%0.368CS..G310 helixtrans-68.8-14.4-176.854.2-105.3000114.3V27 F32 A48 Q53 Y170 N173 L178V27-W50 HydrophobicContact CB-CH2 4.46Å; V27-W50 HydrophobicContact CG2-CH2 3.95Å; F32-W50 HydrophobicContact CB-CH2 3.13Å; F32-W50 HydrophobicContact CB-CZ2 3.37Å; F32-W50 HydrophobicContact CB-CZ3 3.95Å; F32-W50 HydrophobicContact CD1-CH2 4.09Å; F32-W50 AromaticContact CD2-CH2 3.88Å; F32-W50 HydrophobicContact CD2-CH2 3.88Å; F32-W50 HydrophobicContact CD2-CZ3 4.16Å; F32-W50 AromaticContact CG-CH2 3.47Å; F32-W50 HydrophobicContact CG-CH2 3.47Å; F32-W50 VanDerWaalsContact CG-CH2 3.47Å; F32-W50 HydrophobicContact CG-CZ2 4.16Å; F32-W50 HydrophobicContact CG-CZ3 4.2Å; A48-W50 VanDerWaalsContact C-N 3.29Å; A48-W50 HydrophobicContact CB-CD2 4.15Å; A48-W50 HydrophobicContact CB-CG 4.35Å; A48-W50 HydrophobicContact CB-CZ2 3.98Å; A48-W50 PolarHBondContact O-N 3.23Å; W50-Q53 WeakPolarHBondContact O-CG 3.27Å; W50-Q53 PolarHBondContact O-NE2 2.71Å; W50-Y170 HydrophobicContact CH2-CG 4.29Å; W50-Y170 AromaticContact CZ3-CD1 3.83Å; W50-Y170 HydrophobicContact CZ3-CD1 3.83Å; W50-Y170 HydrophobicContact CZ3-CD2 4.44Å; W50-Y170 AromaticContact CZ3-CG 3.73Å; W50-Y170 HydrophobicContact CZ3-CG 3.73Å; W50-N173 WeakPolarHBondContact CB-O 3.16Å; W50-L178 HydrophobicContact CD2-CD1 4.45Å; W50-L178 HydrophobicContact CH2-CD1 4.27Å; W50-L178 HydrophobicContact CZ2-CD1 3.82Å; W50-L178 HydrophobicContact CZ2-CD2 4.04Å; W50-L178 HydrophobicContact CZ2-CG 4.31Å
51I97.9Very high97.2Very high0 Ų068.1 Ų68.10%034%0.341CS..G310 helixtrans-88.9-19.4173.8-162.670.6000112F32 V33 P46 A48 P49 Q53 E54 Y58 W59 Y170F32-I51 HydrophobicContact CD2-CB 4.48Å; F32-I51 HydrophobicContact CD2-CD1 3.93Å; F32-I51 HydrophobicContact CD2-CG1 4.01Å; F32-I51 HydrophobicContact CE2-CD1 4.33Å; F32-I51 VanDerWaalsContact O-CG2 3.23Å; F32-I51 WeakPolarHBondContact O-CG2 3.44Å; V33-I51 HydrophobicContact CG1-CG1 4.35Å; P46-I51 HydrophobicContact CB-CG2 3.63Å; A48-I51 WeakPolarHBondContact O-CG2 3.42Å; A48-I51 PolarHBondContact O-N 3.17Å; P49-I51 PolarHBondContact O-N 3.33Å; I51-Q53 PolarHBondContact O-N 2.85Å; I51-E54 HydrophobicContact CD1-CG 3.71Å; I51-E54 HydrophobicContact CG1-CG 4.24Å; I51-E54 WeakPolarHBondContact O-CB 3.35Å; I51-E54 WeakPolarHBondContact O-CG 3.39Å; I51-E54 PolarHBondContact O-N 3.08Å; I51-Y58 HydrophobicContact CD1-CE1 4.2Å; I51-Y58 HydrophobicContact CG1-CE1 4.18Å; I51-W59 HydrophobicContact CG1-CH2 3.83Å; I51-W59 HydrophobicContact CG1-CZ2 4.12Å; I51-W59 HydrophobicContact CG2-CH2 4.02Å; I51-W59 HydrophobicContact CG2-CZ2 4.43Å; I51-W59 WeakPolarHBondContact O-CZ2 3.44Å; I51-Y170 HydrophobicContact CD1-CD1 3.79Å; I51-Y170 HydrophobicContact CD1-CE1 3.3Å
52E96.8Very high97.4Very high125 Ų12566.5 Ų66.558%0.58433%0.328SS*.THydrogen-bonded Turntrans-65-23.3-176.1-64.5-178.9-174.100113.1P46 P49 E54P46-E52 HydrophobicContact CB-CG 3.76Å; P46-E52 HydrophobicContact CG-CG 4.01Å; P49-E52 WeakPolarHBondContact O-CB 3.37Å; P49-E52 PolarHBondContact O-N 3.02Å; P49-E52 VanDerWaalsContact O-N 3.09Å; E52-E54 PolarHBondContact O-N 3.41Å
53Q95.5Very high97.5Very high119 Ų11962.8 Ų62.856%0.55631%0.311SS*.THydrogen-bonded Turntrans-69.6-13.217570.1-173.3-37.200114W50 I51 N173W50-Q53 WeakPolarHBondContact O-CG 3.27Å; W50-Q53 PolarHBondContact O-NE2 2.71Å; I51-Q53 PolarHBondContact O-N 2.85Å; Q53-N173 PolarHBondContact NE2-ND2 3.01Å
54E97.4Very high97.5Very high10 Ų1063.1 Ų63.15%0.04731%0.313CS..SBendtrans-65.8137.4176.5-67.4-62.5162.400111.1I51 E52 Y58 W59 R169 N173I51-E54 HydrophobicContact CD1-CG 3.71Å; I51-E54 HydrophobicContact CG1-CG 4.24Å; I51-E54 WeakPolarHBondContact O-CB 3.35Å; I51-E54 WeakPolarHBondContact O-CG 3.39Å; I51-E54 PolarHBondContact O-N 3.08Å; E52-E54 PolarHBondContact O-N 3.41Å; E54-Y58 HydrophobicContact CB-CD1 3.52Å; E54-Y58 HydrophobicContact CB-CD2 4.45Å; E54-Y58 HydrophobicContact CB-CE1 4.15Å; E54-Y58 HydrophobicContact CB-CG 3.71Å; E54-Y58 HydrophobicContact CG-CD1 4.02Å; E54-Y58 HydrophobicContact CG-CD2 4.36Å; E54-Y58 HydrophobicContact CG-CE1 4.23Å; E54-Y58 HydrophobicContact CG-CG 4.09Å; E54-W59 HydrophobicContact CB-CZ2 4.49Å; E54-W59 PolarHBondContact O-NE1 3.39Å; E54-R169 IonicContact OE1-CZ 3.53Å; E54-R169 IonicContact OE1-NE 3.9Å; E54-R169 PolarHBondContact OE1-NE 2.87Å; E54-R169 IonicContact OE1-NH2 2.76Å; E54-R169 PolarHBondContact OE1-NH2 3.48Å; E54-R169 IonicContact OE2-CZ 3.29Å; E54-R169 IonicContact OE2-NE 3.72Å; E54-R169 IonicContact OE2-NH2 3.42Å; E54-R169 PolarHBondContact OE2-NH2 2.82Å; E54-N173 PolarHBondContact OE1-ND2 3.01Å
55G97Very high97.5Very high35 Ų3566.8 Ų66.836%0.36133%0.332SS..  trans-70.9169.3-175.200000114.4E57 Y58 W59G55-E57 PolarHBondContact O-N 2.97Å; G55-Y58 WeakPolarHBondContact O-CB 3.48Å; G55-Y58 PolarHBondContact O-N 2.94Å; G55-W59 VanDerWaalsContact O-CD1 3.26Å; G55-W59 PolarHBondContact O-N 2.93Å
56P97.5Very high97.5Very high99 Ų9964 Ų6464%0.64332%0.32SS*.Hα-helixtrans-57.4-35.1-177.822.7-33.5000113.4Y58 W59 D60P56-Y58 VanDerWaalsContact C-N 3.26Å; P56-Y58 PolarHBondContact O-N 3.29Å; P56-W59 PolarHBondContact O-N 3.42Å; P56-W59 VanDerWaalsContact O-N 3.16Å; P56-D60 WeakPolarHBondContact O-CB 3.3Å; P56-D60 PolarHBondContact O-N 2.93Å
57E97.8Very high97.5Very high168 Ų16865.9 Ų65.979%0.78532%0.323SS*.Hα-helixtrans-59.9-36.2177.3-64.3-176.1175.700112.8G55 R61G55-E57 PolarHBondContact O-N 2.97Å; E57-R61 WeakPolarHBondContact O-CB 3.13Å; E57-R61 PolarHBondContact O-N 2.86Å
58Y97.9Very high97.5Very high11 Ų1163.7 Ų63.74%0.04333%0.327CS..Hα-helixtrans-64.1-49.2175.4171.1-92000110.5I51 E54 G55 P56 R61 N62 W166 Y170I51-Y58 HydrophobicContact CD1-CE1 4.2Å; I51-Y58 HydrophobicContact CG1-CE1 4.18Å; E54-Y58 HydrophobicContact CB-CD1 3.52Å; E54-Y58 HydrophobicContact CB-CD2 4.45Å; E54-Y58 HydrophobicContact CB-CE1 4.15Å; E54-Y58 HydrophobicContact CB-CG 3.71Å; E54-Y58 HydrophobicContact CG-CD1 4.02Å; E54-Y58 HydrophobicContact CG-CD2 4.36Å; E54-Y58 HydrophobicContact CG-CE1 4.23Å; E54-Y58 HydrophobicContact CG-CG 4.09Å; G55-Y58 WeakPolarHBondContact O-CB 3.48Å; G55-Y58 PolarHBondContact O-N 2.94Å; P56-Y58 VanDerWaalsContact C-N 3.26Å; P56-Y58 PolarHBondContact O-N 3.29Å; Y58-R61 PolarHBondContact O-N 3.46Å; Y58-N62 WeakPolarHBondContact CD2-ND2 3.03Å; Y58-N62 WeakPolarHBondContact CE2-ND2 3.28Å; Y58-N62 WeakPolarHBondContact O-CB 3.27Å; Y58-N62 PolarHBondContact O-N 3.4Å; Y58-N62 PolarHBondContact O-ND2 3.42Å; Y58-W166 AromaticContact CD2-CH2 3.69Å; Y58-W166 HydrophobicContact CD2-CH2 3.69Å; Y58-W166 HydrophobicContact CD2-CZ2 4.4Å; Y58-W166 AromaticContact CD2-CZ3 3.8Å; Y58-W166 HydrophobicContact CD2-CZ3 3.8Å; Y58-W166 HydrophobicContact CE2-CE3 4.24Å; Y58-W166 HydrophobicContact CE2-CH2 4.09Å; Y58-W166 AromaticContact CE2-CZ3 3.82Å; Y58-W166 HydrophobicContact CE2-CZ3 3.82Å; Y58-Y170 WeakPolarHBondContact CE2-OH 3.43Å; Y58-Y170 PolarHBondContact OH-OH 3.06Å
59W98.4Very high97.6Very high43 Ų4365.4 Ų65.416%0.16333%0.334CS..Hα-helixtrans-66-41.3-178.4-64111.2000112.4V33 M44 P46 I51 E54 G55 P56 T63V33-W59 HydrophobicContact CG1-CH2 4.16Å; V33-W59 HydrophobicContact CG1-CZ3 3.93Å; M44-W59 HydrophobicContact CB-CE3 4.27Å; M44-W59 HydrophobicContact CG-CE3 4.12Å; M44-W59 HydrophobicContact CG-CZ3 3.99Å; P46-W59 HydrophobicContact CB-CH2 3.62Å; P46-W59 HydrophobicContact CB-CZ2 4.05Å; P46-W59 HydrophobicContact CB-CZ3 4.47Å; P46-W59 HydrophobicContact CG-CH2 4.24Å; P46-W59 HydrophobicContact CG-CZ2 4.46Å; I51-W59 HydrophobicContact CG1-CH2 3.83Å; I51-W59 HydrophobicContact CG1-CZ2 4.12Å; I51-W59 HydrophobicContact CG2-CH2 4.02Å; I51-W59 HydrophobicContact CG2-CZ2 4.43Å; I51-W59 WeakPolarHBondContact O-CZ2 3.44Å; E54-W59 HydrophobicContact CB-CZ2 4.49Å; E54-W59 PolarHBondContact O-NE1 3.39Å; G55-W59 VanDerWaalsContact O-CD1 3.26Å; G55-W59 PolarHBondContact O-N 2.93Å; P56-W59 PolarHBondContact O-N 3.42Å; P56-W59 VanDerWaalsContact O-N 3.16Å; W59-T63 WeakPolarHBondContact O-CB 3.2Å; W59-T63 PolarHBondContact O-N 2.89Å; W59-T63 PolarHBondContact O-OG1 2.94Å
60D98.3Very high97.7Very high84 Ų8461.3 Ų61.345%0.44931%0.308SS..Hα-helixtrans-66.3-44.5177.2-76.7-19.7000111.6P56 T63 R64P56-D60 WeakPolarHBondContact O-CB 3.3Å; P56-D60 PolarHBondContact O-N 2.93Å; D60-T63 PolarHBondContact O-N 3.02Å; D60-R64 WeakPolarHBondContact O-CB 3.39Å; D60-R64 PolarHBondContact O-N 3Å
61R98Very high97.8Very high98 Ų9865 Ų6537%0.3733%0.326SS..Hα-helixtrans-62.4-49.2176.9-175.2-175.167-163.3-3.6111.2E57 Y58 T63 R64 N65E57-R61 WeakPolarHBondContact O-CB 3.13Å; E57-R61 PolarHBondContact O-N 2.86Å; Y58-R61 PolarHBondContact O-N 3.46Å; R61-T63 PolarHBondContact O-N 3.03Å; R61-R64 PolarHBondContact O-N 2.96Å; R61-N65 PolarHBondContact O-N 2.91Å; R61-N65 PolarHBondContact O-OD1 2.98Å
62N98Very high97.8Very high20 Ų2068.1 Ų68.111%0.10735%0.345CS..Hα-helixtrans-65.5-39.6-179.7-77.5-70.2000112M44 Y58 R64 N65 V66M44-N62 HydrophobicContact CB-CB 4.27Å; M44-N62 HydrophobicContact CE-CB 4.35Å; M44-N62 HydrophobicContact CG-CB 4.18Å; Y58-N62 WeakPolarHBondContact CD2-ND2 3.03Å; Y58-N62 WeakPolarHBondContact CE2-ND2 3.28Å; Y58-N62 WeakPolarHBondContact O-CB 3.27Å; Y58-N62 PolarHBondContact O-N 3.4Å; Y58-N62 PolarHBondContact O-ND2 3.42Å; N62-R64 VanDerWaalsContact C-N 3.35Å; N62-R64 PolarHBondContact O-N 2.94Å; N62-N65 PolarHBondContact O-N 2.62Å; N62-V66 WeakPolarHBondContact O-CG2 3.48Å; N62-V66 PolarHBondContact O-N 2.8Å
63T98.6Very high97.8Very high13 Ų1362.3 Ų62.38%0.0832%0.318CS..Hα-helixtrans-59.9-44.7173.5-62.90000111.4R43 M44 W59 D60 R61 N65 V66 K67R43-T63 HydrophobicContact CB-CG2 4.48Å; R43-T63 HydrophobicContact CG-CG2 4.11Å; M44-T63 PolarHBondContact N-OG1 3.37Å; W59-T63 WeakPolarHBondContact O-CB 3.2Å; W59-T63 PolarHBondContact O-N 2.89Å; W59-T63 PolarHBondContact O-OG1 2.94Å; D60-T63 PolarHBondContact O-N 3.02Å; R61-T63 PolarHBondContact O-N 3.03Å; T63-N65 PolarHBondContact O-N 3.37Å; T63-V66 WeakPolarHBondContact O-CG2 3.34Å; T63-K67 HydrophobicContact CG2-CD 4.22Å; T63-K67 WeakPolarHBondContact O-CB 3.47Å; T63-K67 WeakPolarHBondContact O-CG 3.18Å; T63-K67 PolarHBondContact O-N 3.02Å
64R98.4Very high97.9Very high164 Ų16461.3 Ų61.362%0.61931%0.309SS*.Hα-helixtrans-61.8-44.3177.1-171.2-175.8-60.1115.63111.4D60 R61 N62 K67 A68D60-R64 WeakPolarHBondContact O-CB 3.39Å; D60-R64 PolarHBondContact O-N 3Å; R61-R64 PolarHBondContact O-N 2.96Å; N62-R64 VanDerWaalsContact C-N 3.35Å; N62-R64 PolarHBondContact O-N 2.94Å; R64-K67 PolarHBondContact O-N 2.79Å; R64-A68 WeakPolarHBondContact O-CB 3.42Å; R64-A68 PolarHBondContact O-N 3.28Å
65N97.6Very high97.9Very high85 Ų8565.2 Ų65.246%0.45533%0.333SS..Hα-helixtrans-62.1-48.4-179.3-68.7-4.5000111.8R61 N62 T63 K67 A68 Q69R61-N65 PolarHBondContact O-N 2.91Å; R61-N65 PolarHBondContact O-OD1 2.98Å; N62-N65 PolarHBondContact O-N 2.62Å; T63-N65 PolarHBondContact O-N 3.37Å; N65-K67 VanDerWaalsContact C-N 3.34Å; N65-K67 PolarHBondContact O-N 2.94Å; N65-A68 PolarHBondContact O-N 2.96Å; N65-Q69 PolarHBondContact O-N 3.11Å
66V98Very high97.9Very high1 Ų166.3 Ų66.31%0.00633%0.331CS..Hα-helixtrans-69.5-30.9179.1-63.60000113F21 A23 F35 M44 N62 T63 Q69 S70F21-V66 HydrophobicContact CE1-CB 4.05Å; A23-V66 HydrophobicContact CB-CG1 4.15Å; F35-V66 HydrophobicContact CB-CG2 4.01Å; F35-V66 HydrophobicContact CD1-CG2 4.14Å; F35-V66 HydrophobicContact CD2-CG2 3.39Å; F35-V66 HydrophobicContact CE1-CG2 4.5Å; F35-V66 HydrophobicContact CE2-CG2 3.8Å; F35-V66 HydrophobicContact CG-CB 4.33Å; F35-V66 HydrophobicContact CG-CG2 3.58Å; F35-V66 HydrophobicContact CZ-CG2 4.35Å; M44-V66 HydrophobicContact CE-CB 4.39Å; M44-V66 HydrophobicContact CE-CG1 3.36Å; M44-V66 HydrophobicContact CE-CG2 4.19Å; N62-V66 WeakPolarHBondContact O-CG2 3.48Å; N62-V66 PolarHBondContact O-N 2.8Å; T63-V66 WeakPolarHBondContact O-CG2 3.34Å; V66-Q69 PolarHBondContact O-N 2.94Å; V66-S70 WeakPolarHBondContact O-CB 3.48Å; V66-S70 PolarHBondContact O-N 3.06Å
67K98.3Very high97.9Very high83 Ų8362 Ų6236%0.36130%0.302SS..Hα-helixtrans-66.5-42171.1-76.8-173.6178.8-174.40111.9F35 Q42 T63 R64 N65 S70 Q71F35-K67 HydrophobicContact CE2-CG 4.15Å; F35-K67 HydrophobicContact CZ-CG 4.04Å; Q42-K67 WeakPolarHBondContact O-CE 3.38Å; Q42-K67 PolarHBondContact O-NZ 3.15Å; T63-K67 HydrophobicContact CG2-CD 4.22Å; T63-K67 WeakPolarHBondContact O-CB 3.47Å; T63-K67 WeakPolarHBondContact O-CG 3.18Å; T63-K67 PolarHBondContact O-N 3.02Å; R64-K67 PolarHBondContact O-N 2.79Å; N65-K67 VanDerWaalsContact C-N 3.34Å; N65-K67 PolarHBondContact O-N 2.94Å; K67-S70 PolarHBondContact O-N 3.27Å; K67-Q71 WeakPolarHBondContact O-CG 3.37Å; K67-Q71 PolarHBondContact O-N 2.95Å; K67-Q71 VanDerWaalsContact O-N 3.16Å
68A98.3Very high97.8Very high55 Ų5555.9 Ų55.946%0.45528%0.284SS..Hα-helixtrans-61.7-46.1174.900000110.9R64 N65 S70 Q71 T72R64-A68 WeakPolarHBondContact O-CB 3.42Å; R64-A68 PolarHBondContact O-N 3.28Å; N65-A68 PolarHBondContact O-N 2.96Å; A68-S70 PolarHBondContact O-N 3.25Å; A68-Q71 WeakPolarHBondContact O-CB 3.38Å; A68-Q71 PolarHBondContact O-N 2.89Å; A68-Q71 VanDerWaalsContact O-N 3.13Å; A68-T72 PolarHBondContact O-N 2.71Å; A68-T72 PolarHBondContact O-OG1 3.04Å
69Q98Very high97.8Very high40 Ų4057.8 Ų57.819%0.18730%0.297CS..Hα-helixtrans-60.5-43175.6-172.564.951.200112.3Y8 F21 N65 V66 Q71 T72 D73Y8-Q69 HydrophobicContact CD2-CG 3.62Å; Y8-Q69 HydrophobicContact CE2-CB 4.31Å; Y8-Q69 HydrophobicContact CE2-CG 3.76Å; F21-Q69 HydrophobicContact CE2-CB 4.38Å; F21-Q69 HydrophobicContact CE2-CG 3.97Å; F21-Q69 HydrophobicContact CZ-CB 4.24Å; F21-Q69 HydrophobicContact CZ-CG 4.1Å; N65-Q69 PolarHBondContact O-N 3.11Å; V66-Q69 PolarHBondContact O-N 2.94Å; Q69-Q71 PolarHBondContact O-N 2.77Å; Q69-T72 WeakPolarHBondContact O-CA 3.25Å; Q69-T72 WeakPolarHBondContact O-CB 3.47Å; Q69-T72 PolarHBondContact O-N 2.73Å; Q69-D73 PolarHBondContact NE2-OD1 2.91Å; Q69-D73 PolarHBondContact O-N 2.87Å
70S97.8Very high97.7Very high19 Ų1956.3 Ų56.313%0.13329%0.292CS..Hα-helixtrans-57.6-35.2175.6172.10000112.9F21 V66 K67 A68 R74F21-S70 WeakPolarHBondContact CB-OG 2.94Å; V66-S70 WeakPolarHBondContact O-CB 3.48Å; V66-S70 PolarHBondContact O-N 3.06Å; K67-S70 PolarHBondContact O-N 3.27Å; A68-S70 PolarHBondContact O-N 3.25Å; S70-R74 PolarHBondContact O-N 3.36Å
71Q97.8Very high97.6Very high93 Ų9355.7 Ų55.744%0.43528%0.283SS..Hα-helixtrans-72.8-38.6174.5-64.4-55.8-53.500112.2K67 A68 Q69 R74 V75K67-Q71 WeakPolarHBondContact O-CG 3.37Å; K67-Q71 PolarHBondContact O-N 2.95Å; K67-Q71 VanDerWaalsContact O-N 3.16Å; A68-Q71 WeakPolarHBondContact O-CB 3.38Å; A68-Q71 PolarHBondContact O-N 2.89Å; A68-Q71 VanDerWaalsContact O-N 3.13Å; Q69-Q71 PolarHBondContact O-N 2.77Å; Q71-R74 WeakPolarHBondContact O-CB 3.35Å; Q71-R74 PolarHBondContact O-N 3.02Å; Q71-V75 PolarHBondContact O-N 2.87Å
72T97.8Very high97.5Very high66 Ų6653 Ų5341%0.40529%0.286SS..Hα-helixtrans-59.7-52.4172.9-58.10000110.7A68 Q69 R74 V75 D76A68-T72 PolarHBondContact O-N 2.71Å; A68-T72 PolarHBondContact O-OG1 3.04Å; Q69-T72 WeakPolarHBondContact O-CA 3.25Å; Q69-T72 WeakPolarHBondContact O-CB 3.47Å; Q69-T72 PolarHBondContact O-N 2.73Å; T72-R74 PolarHBondContact O-N 2.83Å; T72-V75 WeakPolarHBondContact O-CB 3.11Å; T72-V75 PolarHBondContact O-N 3.38Å; T72-D76 PolarHBondContact O-N 2.91Å
73D97.5Very high97.5Very high2 Ų255.1 Ų55.11%0.01129%0.293CS..Hα-helixtrans-58.9-34.7179.6-76.222.1000112.4S10 F21 Q69 D76 L77S10-D73 WeakPolarHBondContact CB-OD2 3.43Å; S10-D73 WeakPolarHBondContact OG-CB 3.03Å; S10-D73 VanDerWaalsContact OG-CG 3.31Å; S10-D73 PolarHBondContact OG-OD2 3.04Å; F21-D73 WeakPolarHBondContact CE2-OD2 3.24Å; Q69-D73 PolarHBondContact NE2-OD1 2.91Å; Q69-D73 PolarHBondContact O-N 2.87Å; D73-D76 PolarHBondContact O-N 2.88Å; D73-L77 WeakPolarHBondContact O-CB 3.31Å; D73-L77 VanDerWaalsContact O-CG 3.3Å; D73-L77 WeakPolarHBondContact O-CG 3.45Å; D73-L77 PolarHBondContact O-N 3.18Å
74R97Very high97.4Very high99 Ų9957.7 Ų57.737%0.37430%0.302SS..Hα-helixtrans-61.1-45174.3176.4176.572.2159.73112E18 P19 S70 Q71 T72E18-R74 IonicContact OE1-NH1 2.72Å; E18-R74 PolarHBondContact OE1-NH1 2.86Å; E18-R74 WeakPolarHBondContact OE2-CD 3.21Å; E18-R74 IonicContact OE2-CZ 2.71Å; E18-R74 IonicContact OE2-NE 2.71Å; E18-R74 IonicContact OE2-NH1 3.12Å; E18-R74 PolarHBondContact OE2-NH1 3Å; P19-R74 HydrophobicContact CG-CB 4.41Å; P19-R74 HydrophobicContact CG-CG 4.17Å; S70-R74 PolarHBondContact O-N 3.36Å; Q71-R74 WeakPolarHBondContact O-CB 3.35Å; Q71-R74 PolarHBondContact O-N 3.02Å; T72-R74 PolarHBondContact O-N 2.83Å
75V97.4Very high97.3Very high91 Ų9157 Ų5755%0.55231%0.311SS*.Hα-helixtrans-68.7-39.9177.5176.20000110.2Q71 T72 L77 G78 T79Q71-V75 PolarHBondContact O-N 2.87Å; T72-V75 WeakPolarHBondContact O-CB 3.11Å; T72-V75 PolarHBondContact O-N 3.38Å; V75-L77 PolarHBondContact O-N 2.87Å; V75-G78 PolarHBondContact O-N 3.34Å; V75-T79 PolarHBondContact O-N 2.87Å; V75-T79 PolarHBondContact O-OG1 3.36Å
76D97.8Very high97.3Very high59 Ų5955.9 Ų55.932%0.31630%0.303SS..Hα-helixtrans-65.9-37.7179.5-70.4-17000111.7T72 D73 G78 T79 L80 I94T72-D76 PolarHBondContact O-N 2.91Å; D73-D76 PolarHBondContact O-N 2.88Å; D76-G78 VanDerWaalsContact C-N 3.28Å; D76-G78 PolarHBondContact O-N 2.86Å; D76-T79 PolarHBondContact O-N 2.89Å; D76-T79 VanDerWaalsContact O-N 3.1Å; D76-L80 WeakPolarHBondContact O-CB 3.39Å; D76-L80 VanDerWaalsContact O-CG 3.3Å; D76-L80 WeakPolarHBondContact O-CG 3.44Å; D76-L80 PolarHBondContact O-N 3.36Å; D76-I94 HydrophobicContact CB-CD1 3.63Å
77L97.6Very high97.1Very high9 Ų959.5 Ų59.55%0.04733%0.328CS..Hα-helixtrans-57-41.7173.9-82.2165.5000111.8P19 D73 V75 R81 H92 I94 Y117P19-L77 HydrophobicContact CB-CD1 3.61Å; P19-L77 HydrophobicContact CG-CD1 3.64Å; D73-L77 WeakPolarHBondContact O-CB 3.31Å; D73-L77 VanDerWaalsContact O-CG 3.3Å; D73-L77 WeakPolarHBondContact O-CG 3.45Å; D73-L77 PolarHBondContact O-N 3.18Å; V75-L77 PolarHBondContact O-N 2.87Å; L77-R81 VanDerWaalsContact O-CB 3.29Å; L77-R81 WeakPolarHBondContact O-CB 3.39Å; L77-R81 PolarHBondContact O-N 3.02Å; L77-H92 HydrophobicContact CD2-CB 4.07Å; L77-I94 HydrophobicContact CB-CD1 4.38Å; L77-I94 HydrophobicContact CD2-CD1 3.98Å; L77-I94 HydrophobicContact CD2-CG1 3.78Å; L77-I94 HydrophobicContact CG-CD1 3.74Å; L77-I94 HydrophobicContact CG-CG1 4.08Å; L77-Y117 HydrophobicContact CD2-CE2 4.37Å
78G95.7Very high96.7Very high39 Ų3962.1 Ų62.140%0.40234%0.342SS..Hα-helixtrans-69.4-39.6175.200000112.8V75 D76 G82V75-G78 PolarHBondContact O-N 3.34Å; D76-G78 VanDerWaalsContact C-N 3.28Å; D76-G78 PolarHBondContact O-N 2.86Å; G78-G82 PolarHBondContact O-N 3.13Å
79T97.1Very high96.3Very high51 Ų5163.7 Ų63.731%0.31336%0.355SS..Hα-helixtrans-66.1-49179.6-59.50000111.7V75 D76 G82 Y83V75-T79 PolarHBondContact O-N 2.87Å; V75-T79 PolarHBondContact O-OG1 3.36Å; D76-T79 PolarHBondContact O-N 2.89Å; D76-T79 VanDerWaalsContact O-N 3.1Å; T79-G82 WeakPolarHBondContact O-CA 3.5Å; T79-G82 PolarHBondContact O-N 3.42Å; T79-G82 VanDerWaalsContact O-N 3.12Å; T79-Y83 HydrophobicContact CG2-CD1 4.39Å; T79-Y83 HydrophobicContact CG2-CD2 4.46Å; T79-Y83 HydrophobicContact CG2-CE1 3.81Å; T79-Y83 HydrophobicContact CG2-CE2 3.89Å; T79-Y83 PolarHBondContact O-N 2.03Å
80L97.6Very high96.1Very high11 Ų1162.8 Ų62.86%0.05836%0.356CS..Hα-helixtrans-63.5-43.9179.4-67.6176.7000111.1D76 G82 Y83 Y84 I94 Y117 Y122D76-L80 WeakPolarHBondContact O-CB 3.39Å; D76-L80 VanDerWaalsContact O-CG 3.3Å; D76-L80 WeakPolarHBondContact O-CG 3.44Å; D76-L80 PolarHBondContact O-N 3.36Å; L80-G82 PolarHBondContact O-N 3.42Å; L80-Y83 HydrophobicContact CD2-CD2 4.23Å; L80-Y83 PolarHBondContact O-N 2.8Å; L80-Y84 HydrophobicContact CD2-CE2 4.47Å; L80-Y84 VanDerWaalsContact O-CD2 3.24Å; L80-Y84 WeakPolarHBondContact O-CD2 3.5Å; L80-Y84 PolarHBondContact O-N 2.97Å; L80-I94 HydrophobicContact CD1-CD1 3.58Å; L80-I94 HydrophobicContact CD1-CG1 3.71Å; L80-Y117 HydrophobicContact CB-CD1 4.39Å; L80-Y117 HydrophobicContact CB-CD2 4.17Å; L80-Y117 HydrophobicContact CB-CE1 4.04Å; L80-Y117 HydrophobicContact CB-CE2 3.81Å; L80-Y117 HydrophobicContact CB-CG 4.44Å; L80-Y117 HydrophobicContact CD1-CD2 3.46Å; L80-Y117 VanDerWaalsContact CD1-CD2 3.46Å; L80-Y117 HydrophobicContact CD1-CE2 3.85Å; L80-Y117 HydrophobicContact CD1-CG 3.84Å; L80-Y117 HydrophobicContact CG-CD2 4.44Å; L80-Y117 HydrophobicContact CG-CE2 4.5Å; L80-Y122 HydrophobicContact CD2-CD2 4.34Å; L80-Y122 HydrophobicContact CD2-CE1 3.85Å; L80-Y122 HydrophobicContact CD2-CE2 3.56Å; L80-Y122 VanDerWaalsContact CD2-OH 3.27Å; L80-Y122 WeakPolarHBondContact CD2-OH 3.3Å
81R96.4Very high96.1Very high71 Ų7165.4 Ų65.427%0.26838%0.375SS..Hα-helixtrans-52.9-41.5173.1-174.2-174.468.1170.311.8111.7L77 N85 Q86 E88L77-R81 VanDerWaalsContact O-CB 3.29Å; L77-R81 WeakPolarHBondContact O-CB 3.39Å; L77-R81 PolarHBondContact O-N 3.02Å; R81-N85 PolarHBondContact O-N 3.39Å; R81-N85 VanDerWaalsContact O-N 3.14Å; R81-Q86 HydrophobicContact CG-CB 3.83Å; R81-Q86 WeakPolarHBondContact CG-O 3.17Å; R81-Q86 PolarHBondContact O-N 2.89Å; R81-E88 IonicContact CZ-OE1 2.99Å; R81-E88 IonicContact NH1-OE1 3.08Å; R81-E88 PolarHBondContact NH1-OE1 2.81Å; R81-E88 IonicContact NH2-OE1 3.01Å; R81-E88 PolarHBondContact NH2-OE1 2.94Å
82G95.9Very high96.1Very high42 Ų4261.7 Ų61.743%0.43336%0.357SS..Hα-helixtrans-65.4-47174.700000113.2G78 T79 L80 Y84 N85G78-G82 PolarHBondContact O-N 3.13Å; T79-G82 WeakPolarHBondContact O-CA 3.5Å; T79-G82 PolarHBondContact O-N 3.42Å; T79-G82 VanDerWaalsContact O-N 3.12Å; L80-G82 PolarHBondContact O-N 3.42Å; G82-Y84 VanDerWaalsContact C-N 3.26Å; G82-Y84 PolarHBondContact O-N 2.89Å; G82-N85 PolarHBondContact O-N 3.01Å; G82-N85 VanDerWaalsContact O-N 3.13Å
83Y96.9Very high96.1Very high65 Ų6560.2 Ų60.226%0.25535%0.348SS..Hα-helixtrans-59.8-36.4178.3-68.6-7.7000113T79 L80 A138 T141 K145T79-Y83 HydrophobicContact CG2-CD1 4.39Å; T79-Y83 HydrophobicContact CG2-CD2 4.46Å; T79-Y83 HydrophobicContact CG2-CE1 3.81Å; T79-Y83 HydrophobicContact CG2-CE2 3.89Å; T79-Y83 PolarHBondContact O-N 2.03Å; L80-Y83 HydrophobicContact CD2-CD2 4.23Å; L80-Y83 PolarHBondContact O-N 2.8Å; Y83-A138 HydrophobicContact CD2-CB 4.5Å; Y83-T141 HydrophobicContact CE1-CG2 4.25Å; Y83-T141 HydrophobicContact CE2-CG2 4.08Å; Y83-K145 PolarHBondContact OH-NZ 3.12Å
84Y97.2Very high96.2Very high66 Ų6660.6 Ų60.626%0.25935%0.35SS..THydrogen-bonded Turntrans-91.43.7179.3-69.4-72.6000114L80 G82 Q86 Y117 Y122 D136 A138L80-Y84 HydrophobicContact CD2-CE2 4.47Å; L80-Y84 VanDerWaalsContact O-CD2 3.24Å; L80-Y84 WeakPolarHBondContact O-CD2 3.5Å; L80-Y84 PolarHBondContact O-N 2.97Å; G82-Y84 VanDerWaalsContact C-N 3.26Å; G82-Y84 PolarHBondContact O-N 2.89Å; Y84-Q86 PolarHBondContact O-N 2.81Å; Y84-Y117 AromaticContact CD2-CD1 3.71Å; Y84-Y117 HydrophobicContact CD2-CD1 3.71Å; Y84-Y117 AromaticContact CD2-CE1 3.5Å; Y84-Y117 HydrophobicContact CD2-CE1 3.5Å; Y84-Y117 AromaticContact CE2-CD1 3.51Å; Y84-Y117 HydrophobicContact CE2-CD1 3.51Å; Y84-Y117 AromaticContact CE2-CE1 3.84Å; Y84-Y117 HydrophobicContact CE2-CE1 3.84Å; Y84-Y117 HydrophobicContact CE2-CG 4.48Å; Y84-Y117 HydrophobicContact CG-CE1 4.38Å; Y84-Y122 HydrophobicContact CE2-CD2 4.4Å; Y84-Y122 HydrophobicContact CE2-CE2 4.1Å; Y84-Y122 WeakPolarHBondContact OH-CD2 3.4Å; Y84-Y122 WeakPolarHBondContact OH-CE2 3.29Å; Y84-D136 VanDerWaalsContact CE1-OD2 3.23Å; Y84-D136 WeakPolarHBondContact CE1-OD2 3.47Å; Y84-D136 VanDerWaalsContact OH-CG 3.25Å; Y84-D136 PolarHBondContact OH-OD1 2.73Å; Y84-D136 PolarHBondContact OH-OD2 2.71Å; Y84-A138 HydrophobicContact CD1-CB 4.18Å; Y84-A138 HydrophobicContact CD2-CB 4.44Å; Y84-A138 HydrophobicContact CE1-CB 3.62Å; Y84-A138 HydrophobicContact CE2-CB 3.9Å; Y84-A138 VanDerWaalsContact CZ-CB 3.46Å
85N95.9Very high96.3Very high151 Ų15159.7 Ų59.781%0.80735%0.35SS*.THydrogen-bonded Turntrans51.940.3-177.5-58.7-58.2000113.5R81 G82R81-N85 PolarHBondContact O-N 3.39Å; R81-N85 VanDerWaalsContact O-N 3.14Å; G82-N85 PolarHBondContact O-N 3.01Å; G82-N85 VanDerWaalsContact O-N 3.13Å
86Q96.4Very high96.3Very high60 Ų6055.6 Ų55.628%0.2833%0.325SS..  trans-88.9152.4-176.5-70.5166.2-35.900112.1R81 Y84 H92 Y117 D118R81-Q86 HydrophobicContact CG-CB 3.83Å; R81-Q86 WeakPolarHBondContact CG-O 3.17Å; R81-Q86 PolarHBondContact O-N 2.89Å; Y84-Q86 PolarHBondContact O-N 2.81Å; Q86-H92 PolarHBondContact NE2-CE1 3.24Å; Q86-H92 PolarHBondContact OE1-CE1 2.81Å; Q86-H92 VanDerWaalsContact OE1-CE1 3.24Å; Q86-Y117 PolarHBondContact OE1-OH 2.88Å; Q86-D118 PolarHBondContact NE2-OD2 3.42Å
87S93.9Very high96.3Very high78 Ų7853.7 Ų53.755%0.54531%0.314SS..  trans-71152.4-178.275.20000113.1A89 G90S87-A89 PolarHBondContact O-N 2.91Å; S87-G90 PolarHBondContact O-N 3.43Å
88E90.4Very high96.4Very high137 Ų13754 Ų5464%0.6432%0.315SS*.THydrogen-bonded Turntrans-69.4-20.7177.8-53.7-153.7123.900114.7P14 R81 G90P14-E88 WeakPolarHBondContact CB-O 3.3Å; P14-E88 WeakPolarHBondContact CG-O 3.44Å; R81-E88 IonicContact CZ-OE1 2.99Å; R81-E88 IonicContact NH1-OE1 3.08Å; R81-E88 PolarHBondContact NH1-OE1 2.81Å; R81-E88 IonicContact NH2-OE1 3.01Å; R81-E88 PolarHBondContact NH2-OE1 2.94Å; E88-G90 VanDerWaalsContact C-N 3.27Å; E88-G90 PolarHBondContact O-N 3.4Å
89A91.3Very high96.5Very high88 Ų8852.2 Ų52.273%0.72730%0.296SS*.THydrogen-bonded Turntrans-77.2-14.7-179.800000113.1S87S87-A89 PolarHBondContact O-N 2.91Å
90G92.6Very high96.6Very high22 Ų2249.8 Ų49.823%0.22728%0.281CS..  trans-76.1134.5-179.200000112.6P14 S87 E88 H92P14-G90 WeakPolarHBondContact CG-O 3.45Å; S87-G90 PolarHBondContact O-N 3.43Å; E88-G90 VanDerWaalsContact C-N 3.27Å; E88-G90 PolarHBondContact O-N 3.4Å; G90-H92 PolarHBondContact O-CD2 3.31Å
91S97Very high96.7Very high74 Ų7450.5 Ų50.552%0.51729%0.285SS..  trans-82.9133.9164.8-179.30000108.8S12S12-S91 WeakPolarHBondContact O-CB 3.4Å; S12-S91 PolarHBondContact O-OG 2.86Å; S12-S91 WeakPolarHBondContact OG-CA 3.48Å
92H98.2Very high96.8Very high15 Ų1547.2 Ų47.27%0.06927%0.273CS..  trans-130.8152.4-174.7-64.8-73000110.2S12 L77 Q86 G90 Y117 D118S12-H92 PolarHBondContact N-O 2.97Å; S12-H92 PolarHBondContact OG-N 2.93Å; S12-H92 PolarHBondContact OG-O 2.98Å; L77-H92 HydrophobicContact CD2-CB 4.07Å; Q86-H92 PolarHBondContact NE2-CE1 3.24Å; Q86-H92 PolarHBondContact OE1-CE1 2.81Å; Q86-H92 VanDerWaalsContact OE1-CE1 3.24Å; G90-H92 PolarHBondContact O-CD2 3.31Å; H92-Y117 HydrophobicContact CB-CE2 3.87Å; H92-Y117 WeakPolarHBondContact CB-OH 3.45Å; H92-Y117 VanDerWaalsContact CG-OH 3.25Å; H92-Y117 AromaticContact ND1-CZ 3.94Å; H92-Y117 PolarHBondContact ND1-OH 3.2Å; H92-D118 WeakPolarHBondContact CA-OD1 3.43Å; H92-D118 WeakPolarHBondContact CB-OD1 3.43Å; H92-D118 IonicContact CE1-OD2 3.01Å; H92-D118 IonicContact CG-OD1 3.88Å; H92-D118 IonicContact CG-OD2 3.15Å; H92-D118 IonicContact ND1-OD1 2.59Å; H92-D118 IonicContact ND1-OD2 3.58Å; H92-D118 PolarHBondContact ND1-OD2 3.3Å
93T98.6Very high96.8Very high35 Ų3545.6 Ų45.622%0.21526%0.257CS..EExtended strand (participates in β ladder)trans-126129.5-175.8-53.10000111.2T9 S10 V11 Q95 Y117 D118T9-T93 HydrophobicContact CG2-CG2 3.89Å; S10-T93 CarbonylContact O-C 3.57Å; S10-T93 VanDerWaalsContact O-CA 3.27Å; S10-T93 WeakPolarHBondContact O-CA 3.39Å; V11-T93 HydrophobicContact CG2-CG2 4.1Å; T93-Q95 HydrophobicContact CG2-CG 3.89Å; T93-Y117 CarbonylContact O-C 3.58Å; T93-Y117 WeakPolarHBondContact O-CA 3.49Å; T93-Y117 VanDerWaalsContact O-CD2 3.27Å; T93-Y117 WeakPolarHBondContact O-CD2 3.44Å; T93-D118 PolarHBondContact N-OD1 3.19Å; T93-D118 PolarHBondContact O-N 2.98Å
94I98.6Very high96.6Very high10 Ų1048.2 Ų48.25%0.05129%0.285CS..EExtended strand (participates in β ladder)trans-104.4134.5163.5-65.4174.5000107.9T9 S10 D76 L77 L80 A116 Y117T9-I94 WeakPolarHBondContact CA-O 3.26Å; S10-I94 PolarHBondContact N-O 3.35Å; S10-I94 PolarHBondContact O-N 3.45Å; D76-I94 HydrophobicContact CB-CD1 3.63Å; L77-I94 HydrophobicContact CB-CD1 4.38Å; L77-I94 HydrophobicContact CD2-CD1 3.98Å; L77-I94 HydrophobicContact CD2-CG1 3.78Å; L77-I94 HydrophobicContact CG-CD1 3.74Å; L77-I94 HydrophobicContact CG-CG1 4.08Å; L80-I94 HydrophobicContact CD1-CD1 3.58Å; L80-I94 HydrophobicContact CD1-CG1 3.71Å; I94-A116 WeakPolarHBondContact CA-O 3.31Å; I94-Y117 HydrophobicContact CG1-CD2 3.84Å; I94-Y117 HydrophobicContact CG1-CE2 4.24Å
95Q98.8Very high96.5Very high80 Ų8049.2 Ų49.237%0.37429%0.294SS..EExtended strand (participates in β ladder)trans-125.5141.2172.7-59.9174.4-93.300109.3Y8 T9 T93 D115 A116Y8-Q95 WeakPolarHBondContact O-CA 3.49Å; T9-Q95 HydrophobicContact CG2-CG 4.14Å; T93-Q95 HydrophobicContact CG2-CG 3.89Å; Q95-D115 CarbonylContact O-C 3.53Å; Q95-D115 VanDerWaalsContact O-CA 3.26Å; Q95-D115 WeakPolarHBondContact O-CA 3.17Å; Q95-A116 HydrophobicContact CB-CB 4.32Å; Q95-A116 PolarHBondContact N-O 3.29Å; Q95-A116 PolarHBondContact O-N 2.84Å
96M98.4Very high96.4Very high5 Ų542.8 Ų42.83%0.02526%0.263CS..EExtended strand (participates in β ladder)trans-136.7126.9-175.3152.3158.4-165.400108.8F7 Y8 Y98 R113 Q114 D115 W155F7-M96 CarbonylContact C-O 3.57Å; F7-M96 WeakPolarHBondContact CA-O 3.5Å; Y8-M96 HydrophobicContact CD2-CE 4.4Å; Y8-M96 HydrophobicContact CD2-CG 3.95Å; Y8-M96 HydrophobicContact CD2-SD 3.93Å; Y8-M96 HydrophobicContact CG-CG 4.34Å; Y8-M96 PolarHBondContact N-O 3.42Å; Y8-M96 PolarHBondContact O-N 2.83Å; M96-Y98 HydrophobicContact CE-CD1 3.8Å; M96-Y98 HydrophobicContact CE-CE1 4.18Å; M96-Y98 HydrophobicContact CG-CD1 4.28Å; M96-R113 PolarHBondContact SD-NH1 3.4Å; M96-R113 PolarHBondContact SD-NH2 2.88Å; M96-Q114 WeakPolarHBondContact CA-O 3.49Å; M96-D115 WeakPolarHBondContact CA-OD1 3.49Å; M96-D115 VanDerWaalsContact CB-OD1 3.27Å; M96-D115 WeakPolarHBondContact CB-OD1 3.27Å; M96-W155 HydrophobicContact CE-CH2 3.72Å; M96-W155 HydrophobicContact CE-CZ2 3.8Å
97M98.6Very high96.4Very high18 Ų1847.9 Ų47.99%0.08928%0.28CS..EExtended strand (participates in β ladder)trans-122132.1171.4-172.4-78.9-70.900109.4Y6 F7 Y112 R113 Q114Y6-M97 WeakPolarHBondContact O-CA 3.48Å; F7-M97 HydrophobicContact CD1-CB 3.95Å; F7-M97 HydrophobicContact CD1-CG 3.59Å; F7-M97 HydrophobicContact CE1-CB 4.09Å; F7-M97 HydrophobicContact CE1-CG 3.32Å; F7-M97 HydrophobicContact CG-CG 4.39Å; F7-M97 HydrophobicContact CZ-CG 3.92Å; M97-Y112 HydrophobicContact CE-CD1 4.26Å; M97-Y112 HydrophobicContact CE-CG 4.16Å; M97-R113 CarbonylContact O-C 3.58Å; M97-R113 WeakPolarHBondContact O-CA 3.16Å; M97-Q114 HydrophobicContact CB-CG 3.96Å; M97-Q114 VanDerWaalsContact CE-CD 3.4Å; M97-Q114 HydrophobicContact CE-CG 3.89Å; M97-Q114 PolarHBondContact N-O 2.93Å; M97-Q114 PolarHBondContact O-N 2.84Å
98Y98.8Very high96.6Very high17 Ų1747.1 Ų47.17%0.06727%0.267CS..EExtended strand (participates in β ladder)trans-146159.6169.772-91.8000111.2R5 Y6 Y8 M96 Y112 W155 Y158R5-Y98 WeakPolarHBondContact CA-O 3.29Å; Y6-Y98 VanDerWaalsContact CB-CZ 3.46Å; Y6-Y98 HydrophobicContact CD2-CD2 4.28Å; Y6-Y98 AromaticContact CD2-CE2 3.44Å; Y6-Y98 HydrophobicContact CD2-CE2 3.44Å; Y6-Y98 VanDerWaalsContact CD2-CE2 3.44Å; Y6-Y98 AromaticContact CD2-CZ 3.6Å; Y6-Y98 WeakPolarHBondContact CD2-OH 3.35Å; Y6-Y98 HydrophobicContact CE2-CE2 4.21Å; Y6-Y98 HydrophobicContact CG-CE1 4.27Å; Y6-Y98 AromaticContact CG-CE2 3.98Å; Y6-Y98 HydrophobicContact CG-CE2 3.98Å; Y6-Y98 AromaticContact CG-CZ 3.65Å; Y6-Y98 PolarHBondContact N-O 3.18Å; Y6-Y98 PolarHBondContact O-N 3.02Å; Y6-Y98 VanDerWaalsContact O-N 3.1Å; Y8-Y98 HydrophobicContact CD2-CE1 4.29Å; Y8-Y98 HydrophobicContact CE1-CE1 4.23Å; Y8-Y98 AromaticContact CE2-CE1 3.65Å; Y8-Y98 HydrophobicContact CE2-CE1 3.65Å; Y8-Y98 AromaticContact CZ-CE1 3.63Å; Y8-Y98 PolarHBondContact OH-OH 3.16Å; M96-Y98 HydrophobicContact CE-CD1 3.8Å; M96-Y98 HydrophobicContact CE-CE1 4.18Å; M96-Y98 HydrophobicContact CG-CD1 4.28Å; Y98-Y112 WeakPolarHBondContact CA-O 3.47Å; Y98-Y112 VanDerWaalsContact CB-O 3.3Å; Y98-Y112 WeakPolarHBondContact CB-O 3.27Å; Y98-W155 HydrophobicContact CD1-CH2 4.21Å; Y98-W155 HydrophobicContact CD1-CZ3 4.4Å; Y98-W155 HydrophobicContact CD2-CH2 4.44Å; Y98-W155 AromaticContact CD2-CZ3 3.86Å; Y98-W155 HydrophobicContact CD2-CZ3 3.86Å; Y98-W155 HydrophobicContact CE2-CZ3 4.41Å; Y98-W155 HydrophobicContact CG-CH2 4.13Å; Y98-W155 AromaticContact CG-CZ3 3.86Å; Y98-W155 HydrophobicContact CG-CZ3 3.86Å; Y98-Y158 AromaticContact CD2-CE1 3.86Å; Y98-Y158 HydrophobicContact CD2-CE1 3.86Å; Y98-Y158 AromaticContact CE2-CE1 3.72Å; Y98-Y158 HydrophobicContact CE2-CE1 3.72Å; Y98-Y158 AromaticContact CE2-CZ 3.98Å
99G98.6Very high97Very high0 Ų045.8 Ų45.80%026%0.264CS..EExtended strand (participates in β ladder)trans160.4-177178.800000113.8M4 G111 Y112 L159M4-G99 CarbonylContact O-C 3.57Å; M4-G99 WeakPolarHBondContact O-CA 3.48Å; G99-G111 CarbonylContact O-C 3.59Å; G99-G111 WeakPolarHBondContact O-CA 3.29Å; G99-Y112 PolarHBondContact N-O 3.28Å; G99-Y112 PolarHBondContact O-N 3.14Å; G99-L159 WeakPolarHBondContact O-CD2 3.42Å
100C98.8Very high97.3Very high0 Ų046 Ų460%025%0.246CC..EExtended strand (participates in β ladder)trans-136.1152.4-176.156.70000111.6S3 M4 F108 R110 C163S3-C100 WeakPolarHBondContact CA-O 3.32Å; M4-C100 PolarHBondContact N-O 3.34Å; M4-C100 PolarHBondContact O-N 2.93Å; C100-F108 HydrophobicContact CB-CD2 4.43Å; C100-F108 HydrophobicContact CB-CE2 4.15Å; C100-R110 CarbonylContact C-O 3.45Å; C100-R110 VanDerWaalsContact CA-O 3.29Å; C100-R110 WeakPolarHBondContact CA-O 3.12Å; C100-C163 HydrophobicContact CB-CB 3.9Å; C100-C163 WeakPolarHBondContact CB-SG 3.44Å; C100-C163 PolarHBondContact N-SG 3.21Å; C100-C163 WeakPolarHBondContact SG-CB 2.86Å; C100-C163 CovalentContact SG-SG 2.04Å; C100-C163 PolarHBondContact SG-SG 3.37Å
101D98.6Very high97.6Very high27 Ų2745.2 Ų45.214%0.14424%0.237CC..EExtended strand (participates in β ladder)trans-113.1142.8173.4-59.8-13000109.6H2 S3 R5 L109 R110 Y112H2-D101 CarbonylContact O-C 3.59Å; H2-D101 WeakPolarHBondContact O-CA 3.23Å; S3-D101 WeakPolarHBondContact CB-OD1 3.44Å; R5-D101 IonicContact CZ-OD1 3.88Å; R5-D101 IonicContact NE-OD1 2.69Å; R5-D101 PolarHBondContact NE-OD1 3.48Å; R5-D101 VanDerWaalsContact NH2-CG 3.32Å; R5-D101 IonicContact NH2-OD1 3.21Å; R5-D101 PolarHBondContact NH2-OD1 3.45Å; R5-D101 IonicContact NH2-OD2 2.7Å; R5-D101 PolarHBondContact NH2-OD2 3.39Å; R5-D101 VanDerWaalsContact NH2-OD2 3.12Å; D101-L109 HydrophobicContact CB-CB 4.35Å; D101-L109 PolarHBondContact O-N 2.87Å; D101-R110 HydrophobicContact CB-CB 4.38Å; D101-R110 PolarHBondContact N-O 3.14Å; D101-Y112 WeakPolarHBondContact OD2-CE2 3.38Å; D101-Y112 PolarHBondContact OD2-OH 3.31Å
102V98.4Very high97.6Very high1 Ų143.7 Ų43.71%0.00622%0.221CC..EExtended strand (participates in β ladder)trans-125.8147.4175.4-61.60000111.8S1 H2 R107 V164 L167 L171S1-V102 WeakPolarHBondContact CA-O 3.38Å; S1-V102 VanDerWaalsContact CB-O 3.28Å; S1-V102 WeakPolarHBondContact CB-O 3.39Å; H2-V102 HydrophobicContact CB-CG2 4.02Å; H2-V102 PolarHBondContact N-O 2.93Å; H2-V102 PolarHBondContact O-N 2.66Å; V102-R107 CarbonylContact C-O 3.57Å; V102-R107 WeakPolarHBondContact CA-O 3.34Å; V102-R107 WeakPolarHBondContact CB-O 3.24Å; V102-V164 HydrophobicContact CG1-CB 4.41Å; V102-V164 HydrophobicContact CG1-CG1 3.9Å; V102-V164 HydrophobicContact CG1-CG2 4.07Å; V102-L167 HydrophobicContact CB-CD2 4.34Å; V102-L167 HydrophobicContact CG1-CD2 3.93Å; V102-L167 HydrophobicContact CG2-CD2 3.62Å; V102-L167 HydrophobicContact CG2-CG 4.16Å; V102-L171 HydrophobicContact CG2-CD1 4.46Å
103G97.2Very high97.6Very high9 Ų943.5 Ų43.59%0.09322%0.219CC..  trans-67.4173.6173.300000112.1D105 G106 R107G103-D105 PolarHBondContact O-N 3.33Å; G103-G106 WeakPolarHBondContact O-CA 3.43Å; G103-G106 PolarHBondContact O-N 2.83Å; G103-R107 PolarHBondContact N-O 2.61Å
104S92.9Very high97.6Very high120 Ų12045.7 Ų45.784%0.83923%0.227SC*.THydrogen-bonded Turntrans-61.6-24.4171.747.50000112.8G106S104-G106 PolarHBondContact O-N 2.86Å
105D93.8Very high97.6Very high87 Ų8746.1 Ų46.147%0.46523%0.229SC..THydrogen-bonded Turntrans-834.3171.761.97.9000113.4G103 R107G103-D105 PolarHBondContact O-N 3.33Å; D105-R107 PolarHBondContact O-N 2.83Å; D105-R107 WeakPolarHBondContact OD1-CB 3Å; D105-R107 PolarHBondContact OD1-N 3.42Å; D105-R107 IonicContact OD1-NE 3.4Å; D105-R107 IonicContact OD2-CZ 3.54Å; D105-R107 IonicContact OD2-NE 3.46Å; D105-R107 PolarHBondContact OD2-NE 3Å; D105-R107 IonicContact OD2-NH2 3.44Å; D105-R107 PolarHBondContact OD2-NH2 2.62Å
106G94.2Very high97.6Very high15 Ų1543.1 Ų43.116%0.15522%0.218CC..  trans72.63.9-178.500000114.6G103 S104 R168G103-G106 WeakPolarHBondContact O-CA 3.43Å; G103-G106 PolarHBondContact O-N 2.83Å; S104-G106 PolarHBondContact O-N 2.86Å; G106-R168 PolarHBondContact O-NE 3.3Å; G106-R168 PolarHBondContact O-NH2 2.81Å
107R97.2Very high97.6Very high167 Ų16743.4 Ų43.463%0.6322%0.219SC*.  trans-76147.9178.3-68.7-170.7-68.8165.5-2.5111.4V102 G103 D105 L109V102-R107 CarbonylContact C-O 3.57Å; V102-R107 WeakPolarHBondContact CA-O 3.34Å; V102-R107 WeakPolarHBondContact CB-O 3.24Å; G103-R107 PolarHBondContact N-O 2.61Å; D105-R107 PolarHBondContact O-N 2.83Å; D105-R107 WeakPolarHBondContact OD1-CB 3Å; D105-R107 PolarHBondContact OD1-N 3.42Å; D105-R107 IonicContact OD1-NE 3.4Å; D105-R107 IonicContact OD2-CZ 3.54Å; D105-R107 IonicContact OD2-NE 3.46Å; D105-R107 PolarHBondContact OD2-NE 3Å; D105-R107 IonicContact OD2-NH2 3.44Å; D105-R107 PolarHBondContact OD2-NH2 2.62Å; R107-L109 PolarHBondContact O-N 2.89Å
108F98.4Very high97.6Very high63 Ų6345.4 Ų45.428%0.27623%0.23SC..EExtended strand (participates in β ladder)trans-55.5131.7175.6179.7-101.2000111.2C100 R110 G111 L129 L159 E160 V164C100-F108 HydrophobicContact CB-CD2 4.43Å; C100-F108 HydrophobicContact CB-CE2 4.15Å; F108-R110 VanDerWaalsContact CE2-C 3.44Å; F108-R110 VanDerWaalsContact CE2-O 3.32Å; F108-R110 WeakPolarHBondContact CE2-O 3.21Å; F108-G111 VanDerWaalsContact CZ-N 3.31Å; F108-L129 HydrophobicContact CE1-CD1 4.17Å; F108-L129 HydrophobicContact CZ-CD1 3.8Å; F108-L159 WeakPolarHBondContact CE2-O 3.49Å; F108-E160 HydrophobicContact CD1-CG 4.23Å; F108-E160 HydrophobicContact CE1-CG 3.99Å; F108-E160 HydrophobicContact CE2-CG 4.43Å; F108-E160 HydrophobicContact CZ-CG 4.1Å; F108-V164 HydrophobicContact CB-CG2 4.02Å; F108-V164 HydrophobicContact CD2-CG2 3.66Å; F108-V164 HydrophobicContact CG-CG2 4.32Å
109L97.9Very high97.5Very high108 Ų10847.3 Ų47.357%0.56526%0.255SS*.EExtended strand (participates in β ladder)trans-112.2-48.6174-66.8-179.2000111.9D101 R107D101-L109 HydrophobicContact CB-CB 4.35Å; D101-L109 PolarHBondContact O-N 2.87Å; R107-L109 PolarHBondContact O-N 2.89Å
110R97.9Very high97.5Very high93 Ų9354.9 Ų54.935%0.35129%0.288SS..EExtended strand (participates in β ladder)trans-156.2148.2-171.7-172162.9169.71436111.4C100 D101 F108 Y112 E127C100-R110 CarbonylContact C-O 3.45Å; C100-R110 VanDerWaalsContact CA-O 3.29Å; C100-R110 WeakPolarHBondContact CA-O 3.12Å; D101-R110 HydrophobicContact CB-CB 4.38Å; D101-R110 PolarHBondContact N-O 3.14Å; F108-R110 VanDerWaalsContact CE2-C 3.44Å; F108-R110 VanDerWaalsContact CE2-O 3.32Å; F108-R110 WeakPolarHBondContact CE2-O 3.21Å; R110-Y112 HydrophobicContact CB-CE2 4.16Å; R110-Y112 WeakPolarHBondContact CD-OH 3.43Å; R110-Y112 HydrophobicContact CG-CE1 4.12Å; R110-Y112 HydrophobicContact CG-CE2 3.81Å; R110-Y112 VanDerWaalsContact NE-CE1 3.26Å; R110-Y112 PolarHBondContact NE-OH 3.13Å; R110-E127 VanDerWaalsContact CZ-CD 3.47Å; R110-E127 IonicContact CZ-OE1 2.71Å; R110-E127 IonicContact NH1-OE1 3.74Å; R110-E127 PolarHBondContact NH1-OE1 2.99Å; R110-E127 IonicContact NH1-OE2 3.13Å; R110-E127 VanDerWaalsContact NH2-CD 3.35Å; R110-E127 IonicContact NH2-OE1 3.79Å; R110-E127 PolarHBondContact NH2-OE1 2.92Å
111G98.3Very high97.5Very high5 Ų561 Ų615%0.05232%0.32CS..EExtended strand (participates in β ladder)trans-123.5151.7175.300000110.7G99 F108G99-G111 CarbonylContact O-C 3.59Å; G99-G111 WeakPolarHBondContact O-CA 3.29Å; F108-G111 VanDerWaalsContact CZ-N 3.31Å
112Y98.1Very high97.5Very high42 Ų4260.2 Ų60.217%0.16532%0.316CS..EExtended strand (participates in β ladder)trans-134.4142-177.8-52.5-97000110.1R5 M97 Y98 G99 D101 R110R5-Y112 VanDerWaalsContact NH2-CZ 3.3Å; R5-Y112 PolarHBondContact NH2-OH 2.96Å; M97-Y112 HydrophobicContact CE-CD1 4.26Å; M97-Y112 HydrophobicContact CE-CG 4.16Å; Y98-Y112 WeakPolarHBondContact CA-O 3.47Å; Y98-Y112 VanDerWaalsContact CB-O 3.3Å; Y98-Y112 WeakPolarHBondContact CB-O 3.27Å; G99-Y112 PolarHBondContact N-O 3.28Å; G99-Y112 PolarHBondContact O-N 3.14Å; D101-Y112 WeakPolarHBondContact OD2-CE2 3.38Å; D101-Y112 PolarHBondContact OD2-OH 3.31Å; R110-Y112 HydrophobicContact CB-CE2 4.16Å; R110-Y112 WeakPolarHBondContact CD-OH 3.43Å; R110-Y112 HydrophobicContact CG-CE1 4.12Å; R110-Y112 HydrophobicContact CG-CE2 3.81Å; R110-Y112 VanDerWaalsContact NE-CE1 3.26Å; R110-Y112 PolarHBondContact NE-OH 3.13Å
113R98.3Very high97.5Very high11 Ų1160.4 Ų60.44%0.04232%0.316CS..EExtended strand (participates in β ladder)trans-156108.6168.3171.870.3-170.3112.31.1107.2M96 M97 D115 L125 W132 W155M96-R113 PolarHBondContact SD-NH1 3.4Å; M96-R113 PolarHBondContact SD-NH2 2.88Å; M97-R113 CarbonylContact O-C 3.58Å; M97-R113 WeakPolarHBondContact O-CA 3.16Å; R113-D115 IonicContact CZ-OD1 3.27Å; R113-D115 IonicContact CZ-OD2 2.89Å; R113-D115 IonicContact NH1-OD1 3.49Å; R113-D115 PolarHBondContact NH1-OD1 3.24Å; R113-D115 IonicContact NH1-OD2 3.42Å; R113-D115 VanDerWaalsContact NH2-CG 3.28Å; R113-D115 IonicContact NH2-OD1 3.8Å; R113-D115 PolarHBondContact NH2-OD1 2.82Å; R113-D115 IonicContact NH2-OD2 3.7Å; R113-D115 PolarHBondContact NH2-OD2 3.32Å; R113-L125 HydrophobicContact CB-CB 3.86Å; R113-L125 HydrophobicContact CB-CD2 4.1Å; R113-L125 HydrophobicContact CG-CB 4.47Å; R113-L125 WeakPolarHBondContact O-CB 3.23Å; R113-L125 PolarHBondContact O-N 3.22Å; R113-W132 HydrophobicContact CG-CH2 3.87Å; R113-W132 HydrophobicContact CG-CZ3 3.94Å; R113-W155 HydrophobicContact CB-CD2 4.48Å; R113-W155 VanDerWaalsContact CD-CE2 3.47Å; R113-W155 VanDerWaalsContact CD-CZ2 3.48Å; R113-W155 HydrophobicContact CG-CD2 4Å; R113-W155 HydrophobicContact CG-CE3 4.46Å; R113-W155 HydrophobicContact CG-CG 4.23Å; R113-W155 HydrophobicContact CG-CZ2 4.48Å; R113-W155 VanDerWaalsContact NE-CZ2 3.26Å
114Q98.4Very high97.6Very high81 Ų8161.5 Ų61.538%0.37933%0.325SS..EExtended strand (participates in β ladder)trans-141.4143-17964-166.551.400110.9M96 M97 I123 A124M96-Q114 WeakPolarHBondContact CA-O 3.49Å; M97-Q114 HydrophobicContact CB-CG 3.96Å; M97-Q114 VanDerWaalsContact CE-CD 3.4Å; M97-Q114 HydrophobicContact CE-CG 3.89Å; M97-Q114 PolarHBondContact N-O 2.93Å; M97-Q114 PolarHBondContact O-N 2.84Å; Q114-I123 WeakPolarHBondContact CA-O 3.43Å; Q114-A124 HydrophobicContact CB-CB 3.94Å
115D98.6Very high97.9Very high19 Ų1956.5 Ų56.510%0.10229%0.288CS..EExtended strand (participates in β ladder)trans-121.6144.5177.1-65.6-32.3000110.5Q95 M96 R113 Y122 I123 W146Q95-D115 CarbonylContact O-C 3.53Å; Q95-D115 VanDerWaalsContact O-CA 3.26Å; Q95-D115 WeakPolarHBondContact O-CA 3.17Å; M96-D115 WeakPolarHBondContact CA-OD1 3.49Å; M96-D115 VanDerWaalsContact CB-OD1 3.27Å; M96-D115 WeakPolarHBondContact CB-OD1 3.27Å; R113-D115 IonicContact CZ-OD1 3.27Å; R113-D115 IonicContact CZ-OD2 2.89Å; R113-D115 IonicContact NH1-OD1 3.49Å; R113-D115 PolarHBondContact NH1-OD1 3.24Å; R113-D115 IonicContact NH1-OD2 3.42Å; R113-D115 VanDerWaalsContact NH2-CG 3.28Å; R113-D115 IonicContact NH2-OD1 3.8Å; R113-D115 PolarHBondContact NH2-OD1 2.82Å; R113-D115 IonicContact NH2-OD2 3.7Å; R113-D115 PolarHBondContact NH2-OD2 3.32Å; D115-Y122 WeakPolarHBondContact O-CA 3.47Å; D115-Y122 WeakPolarHBondContact O-CB 3.41Å; D115-Y122 PolarHBondContact O-N 2.85Å; D115-I123 HydrophobicContact CB-CG2 4.11Å; D115-I123 PolarHBondContact N-O 2.91Å; D115-I123 PolarHBondContact O-N 3.45Å; D115-W146 WeakPolarHBondContact OD2-CH2 3.36Å
116A98.8Very high98.1Very high17 Ų1756.4 Ų56.414%0.1428%0.284CS..EExtended strand (participates in β ladder)trans-127.8148.4173.400000110.3I94 Q95 K120I94-A116 WeakPolarHBondContact CA-O 3.31Å; Q95-A116 HydrophobicContact CB-CB 4.32Å; Q95-A116 PolarHBondContact N-O 3.29Å; Q95-A116 PolarHBondContact O-N 2.84Å; A116-K120 CarbonylContact C-O 3.59Å; A116-K120 WeakPolarHBondContact CA-O 3.45Å; A116-K120 WeakPolarHBondContact CB-O 3.16Å
117Y98.6Very high98.3Very high11 Ų1162.2 Ų62.24%0.04331%0.307CS..EExtended strand (participates in β ladder)trans-126.9128.2176.9-174.7-120000110L77 L80 Y84 Q86 H92 T93 I94 G119 K120L77-Y117 HydrophobicContact CD2-CE2 4.37Å; L80-Y117 HydrophobicContact CB-CD1 4.39Å; L80-Y117 HydrophobicContact CB-CD2 4.17Å; L80-Y117 HydrophobicContact CB-CE1 4.04Å; L80-Y117 HydrophobicContact CB-CE2 3.81Å; L80-Y117 HydrophobicContact CB-CG 4.44Å; L80-Y117 HydrophobicContact CD1-CD2 3.46Å; L80-Y117 VanDerWaalsContact CD1-CD2 3.46Å; L80-Y117 HydrophobicContact CD1-CE2 3.85Å; L80-Y117 HydrophobicContact CD1-CG 3.84Å; L80-Y117 HydrophobicContact CG-CD2 4.44Å; L80-Y117 HydrophobicContact CG-CE2 4.5Å; Y84-Y117 AromaticContact CD2-CD1 3.71Å; Y84-Y117 HydrophobicContact CD2-CD1 3.71Å; Y84-Y117 AromaticContact CD2-CE1 3.5Å; Y84-Y117 HydrophobicContact CD2-CE1 3.5Å; Y84-Y117 AromaticContact CE2-CD1 3.51Å; Y84-Y117 HydrophobicContact CE2-CD1 3.51Å; Y84-Y117 AromaticContact CE2-CE1 3.84Å; Y84-Y117 HydrophobicContact CE2-CE1 3.84Å; Y84-Y117 HydrophobicContact CE2-CG 4.48Å; Y84-Y117 HydrophobicContact CG-CE1 4.38Å; Q86-Y117 PolarHBondContact OE1-OH 2.88Å; H92-Y117 HydrophobicContact CB-CE2 3.87Å; H92-Y117 WeakPolarHBondContact CB-OH 3.45Å; H92-Y117 VanDerWaalsContact CG-OH 3.25Å; H92-Y117 AromaticContact ND1-CZ 3.94Å; H92-Y117 PolarHBondContact ND1-OH 3.2Å; T93-Y117 CarbonylContact O-C 3.58Å; T93-Y117 WeakPolarHBondContact O-CA 3.49Å; T93-Y117 VanDerWaalsContact O-CD2 3.27Å; T93-Y117 WeakPolarHBondContact O-CD2 3.44Å; I94-Y117 HydrophobicContact CG1-CD2 3.84Å; I94-Y117 HydrophobicContact CG1-CE2 4.24Å; Y117-G119 PolarHBondContact O-N 3.45Å; Y117-K120 PolarHBondContact N-O 3.43Å; Y117-K120 PolarHBondContact O-N 3.21Å
118D98.1Very high98.3Very high61 Ų6157.9 Ų57.933%0.32630%0.296SS..THydrogen-bonded Turntrans49.340.2-175.4-67.1-20.6000113.2Q86 H92 T93 K120Q86-D118 PolarHBondContact NE2-OD2 3.42Å; H92-D118 WeakPolarHBondContact CA-OD1 3.43Å; H92-D118 WeakPolarHBondContact CB-OD1 3.43Å; H92-D118 IonicContact CE1-OD2 3.01Å; H92-D118 IonicContact CG-OD1 3.88Å; H92-D118 IonicContact CG-OD2 3.15Å; H92-D118 IonicContact ND1-OD1 2.59Å; H92-D118 IonicContact ND1-OD2 3.58Å; H92-D118 PolarHBondContact ND1-OD2 3.3Å; T93-D118 PolarHBondContact N-OD1 3.19Å; T93-D118 PolarHBondContact O-N 2.98Å; D118-K120 VanDerWaalsContact C-N 3.29Å; D118-K120 PolarHBondContact O-N 2.82Å
119G97.4Very high98.2Very high56 Ų5655.1 Ų55.158%0.57729%0.285SS*.THydrogen-bonded Turntrans76.48.2178.400000115.3Y117Y117-G119 PolarHBondContact O-N 3.45Å
120K98.4Very high98.2Very high160 Ų16057.9 Ų57.970%0.69629%0.287SS*.EExtended strand (participates in β ladder)trans-114144.7176.5-62179.1-176.8176.20110.6A116 Y117 D118 Y122A116-K120 CarbonylContact C-O 3.59Å; A116-K120 WeakPolarHBondContact CA-O 3.45Å; A116-K120 WeakPolarHBondContact CB-O 3.16Å; Y117-K120 PolarHBondContact N-O 3.43Å; Y117-K120 PolarHBondContact O-N 3.21Å; D118-K120 VanDerWaalsContact C-N 3.29Å; D118-K120 PolarHBondContact O-N 2.82Å; K120-Y122 PolarHBondContact O-N 2.84Å
121D98.6Very high98.2Very high128 Ų12854.7 Ų54.768%0.68428%0.279SS*.EExtended strand (participates in β ladder)trans-52.5136173.9-68-24.7000110.6A135D121-A135 HydrophobicContact CB-CB 4.29Å; D121-A135 WeakPolarHBondContact O-CB 3.3Å
122Y98.7Very high98.2Very high11 Ų1154.5 Ų54.54%0.04328%0.277CS..EExtended strand (participates in β ladder)trans-114.9-63.8179-179-109.5000110.5L80 Y84 D115 K120 A135 A138 A139 T142L80-Y122 HydrophobicContact CD2-CD2 4.34Å; L80-Y122 HydrophobicContact CD2-CE1 3.85Å; L80-Y122 HydrophobicContact CD2-CE2 3.56Å; L80-Y122 VanDerWaalsContact CD2-OH 3.27Å; L80-Y122 WeakPolarHBondContact CD2-OH 3.3Å; Y84-Y122 HydrophobicContact CE2-CD2 4.4Å; Y84-Y122 HydrophobicContact CE2-CE2 4.1Å; Y84-Y122 WeakPolarHBondContact OH-CD2 3.4Å; Y84-Y122 WeakPolarHBondContact OH-CE2 3.29Å; D115-Y122 WeakPolarHBondContact O-CA 3.47Å; D115-Y122 WeakPolarHBondContact O-CB 3.41Å; D115-Y122 PolarHBondContact O-N 2.85Å; K120-Y122 PolarHBondContact O-N 2.84Å; Y122-A135 WeakPolarHBondContact O-CB 3.41Å; Y122-A135 PolarHBondContact O-N 3.12Å; Y122-A138 PolarHBondContact OH-O 3.3Å; Y122-A139 HydrophobicContact CD2-CB 3.79Å; Y122-A139 HydrophobicContact CE1-CB 4.46Å; Y122-A139 HydrophobicContact CE2-CB 3.64Å; Y122-A139 HydrophobicContact CG-CB 4.26Å; Y122-A139 WeakPolarHBondContact O-CB 3.35Å; Y122-T142 HydrophobicContact CE1-CG2 4.15Å; Y122-T142 WeakPolarHBondContact OH-CB 3.36Å; Y122-T142 PolarHBondContact OH-OG1 2.89Å
123I98.7Very high98.2Very high4 Ų456 Ų562%0.02129%0.291CS..EExtended strand (participates in β ladder)trans-147.6141.3178.7-162.7173.8000110.9Q114 D115 W132 T133 T142 K143 W146Q114-I123 WeakPolarHBondContact CA-O 3.43Å; D115-I123 HydrophobicContact CB-CG2 4.11Å; D115-I123 PolarHBondContact N-O 2.91Å; D115-I123 PolarHBondContact O-N 3.45Å; I123-W132 HydrophobicContact CD1-CB 4.14Å; I123-W132 HydrophobicContact CD1-CD2 4.37Å; I123-W132 HydrophobicContact CD1-CE3 4.22Å; I123-W132 HydrophobicContact CD1-CG 4.36Å; I123-W132 HydrophobicContact CG1-CB 4.22Å; I123-W132 HydrophobicContact CG1-CE3 4.07Å; I123-T133 CarbonylContact C-O 3.56Å; I123-T133 WeakPolarHBondContact CA-O 3.38Å; I123-T133 WeakPolarHBondContact CG1-O 3.49Å; I123-T142 HydrophobicContact CD1-CG2 4.07Å; I123-K143 HydrophobicContact CD1-CB 3.87Å; I123-W146 HydrophobicContact CD1-CE3 4.02Å; I123-W146 HydrophobicContact CD1-CZ3 4.32Å; I123-W146 HydrophobicContact CG2-CH2 4.14Å; I123-W146 HydrophobicContact CG2-CZ3 3.84Å
124A98.8Very high98.2Very high32 Ų3256.3 Ų56.326%0.26430%0.295SS..EExtended strand (participates in β ladder)trans-136.8137.6179.400000112Q114 W132 T133Q114-A124 HydrophobicContact CB-CB 3.94Å; A124-W132 CarbonylContact O-C 3.49Å; A124-W132 WeakPolarHBondContact O-CA 3.27Å; A124-T133 PolarHBondContact N-O 2.83Å; A124-T133 PolarHBondContact O-N 3.21Å
125L98.8Very high98.2Very high15 Ų1555.3 Ų55.38%0.07930%0.301CS..EExtended strand (participates in β ladder)trans-71129.1169.6-173.664.2000108.4R113 L129 W132 A152 W155 L159R113-L125 HydrophobicContact CB-CB 3.86Å; R113-L125 HydrophobicContact CB-CD2 4.1Å; R113-L125 HydrophobicContact CG-CB 4.47Å; R113-L125 WeakPolarHBondContact O-CB 3.23Å; R113-L125 PolarHBondContact O-N 3.22Å; L125-L129 HydrophobicContact CD2-CB 4.43Å; L125-L129 HydrophobicContact CD2-CD2 3.69Å; L125-L129 HydrophobicContact CG-CD2 4.21Å; L125-W132 HydrophobicContact CB-CE3 3.94Å; L125-W132 HydrophobicContact CB-CH2 4.05Å; L125-W132 HydrophobicContact CB-CZ3 3.61Å; L125-W132 HydrophobicContact CD1-CD2 4.1Å; L125-W132 HydrophobicContact CD1-CE3 4.25Å; L125-W132 HydrophobicContact CD1-CH2 4.06Å; L125-W132 HydrophobicContact CD1-CZ2 3.89Å; L125-W132 HydrophobicContact CD1-CZ3 4.22Å; L125-W132 HydrophobicContact CG-CH2 4.5Å; L125-W132 HydrophobicContact CG-CZ3 4.47Å; L125-A152 HydrophobicContact CD1-CB 3.95Å; L125-W155 HydrophobicContact CD2-CB 4.09Å; L125-L159 HydrophobicContact CD2-CD1 4Å
126K98.4Very high98.2Very high86 Ų8657.2 Ų57.237%0.37431%0.311SS..  trans-72.3165.5178.2-63.8-164.9-154.4156.80111.4D128 L129 S131 T133K126-D128 PolarHBondContact O-N 2.89Å; K126-D128 VanDerWaalsContact O-N 3.1Å; K126-L129 PolarHBondContact O-N 3.17Å; K126-S131 WeakPolarHBondContact CB-O 3.38Å; K126-S131 VanDerWaalsContact CD-OG 3.22Å; K126-S131 WeakPolarHBondContact CD-OG 3.34Å; K126-S131 WeakPolarHBondContact CE-OG 3.48Å; K126-S131 WeakPolarHBondContact CG-O 3.03Å; K126-S131 PolarHBondContact N-O 3.24Å; K126-S131 PolarHBondContact NZ-OG 2.89Å; K126-T133 VanDerWaalsContact CE-OG1 3.23Å; K126-T133 WeakPolarHBondContact CE-OG1 3.46Å; K126-T133 WeakPolarHBondContact CG-OG1 3.43Å
127E97.3Very high98.1Very high136 Ų13663.7 Ų63.764%0.63634%0.34SS*.THydrogen-bonded Turntrans-58.5-23.3177.8-62.7-177.4-174.100113.5R110 L129R110-E127 VanDerWaalsContact CZ-CD 3.47Å; R110-E127 IonicContact CZ-OE1 2.71Å; R110-E127 IonicContact NH1-OE1 3.74Å; R110-E127 PolarHBondContact NH1-OE1 2.99Å; R110-E127 IonicContact NH1-OE2 3.13Å; R110-E127 VanDerWaalsContact NH2-CD 3.35Å; R110-E127 IonicContact NH2-OE1 3.79Å; R110-E127 PolarHBondContact NH2-OE1 2.92Å; E127-L129 PolarHBondContact O-N 3.14Å
128D97.2Very high98Very high77 Ų7763.8 Ų63.841%0.41234%0.343SS..THydrogen-bonded Turntrans-70.4-11174.567.213.6000114K126 R130 S131K126-D128 PolarHBondContact O-N 2.89Å; K126-D128 VanDerWaalsContact O-N 3.1Å; D128-R130 WeakPolarHBondContact O-CG 3.22Å; D128-R130 PolarHBondContact O-N 3.48Å; D128-R130 VanDerWaalsContact O-N 3.16Å; D128-R130 PolarHBondContact OD1-N 3.19Å; D128-S131 PolarHBondContact OD1-N 3.32Å; D128-S131 PolarHBondContact OD1-OG 3.21Å; D128-S131 PolarHBondContact OD2-OG 2.7Å
129L98Very high98Very high5 Ų560.9 Ų60.93%0.02633%0.328CS..SBendtrans52.926.6-174.2-53.1-179.5000114.2F108 L125 K126 E127 R156 L159 E160F108-L129 HydrophobicContact CE1-CD1 4.17Å; F108-L129 HydrophobicContact CZ-CD1 3.8Å; L125-L129 HydrophobicContact CD2-CB 4.43Å; L125-L129 HydrophobicContact CD2-CD2 3.69Å; L125-L129 HydrophobicContact CG-CD2 4.21Å; K126-L129 PolarHBondContact O-N 3.17Å; E127-L129 PolarHBondContact O-N 3.14Å; L129-R156 HydrophobicContact CB-CB 4.05Å; L129-R156 HydrophobicContact CB-CG 3.87Å; L129-R156 HydrophobicContact CD1-CG 4.11Å; L129-L159 HydrophobicContact CD2-CD1 4.07Å; L129-E160 HydrophobicContact CD1-CG 3.98Å
130R97.4Very high98Very high166 Ų16660.9 Ų60.963%0.62631%0.313SS*.SBendtrans-129.9-30.5-175.7-70.2173.5-170.6-148.34.6112.6D128 A152D128-R130 WeakPolarHBondContact O-CG 3.22Å; D128-R130 PolarHBondContact O-N 3.48Å; D128-R130 VanDerWaalsContact O-N 3.16Å; D128-R130 PolarHBondContact OD1-N 3.19Å; R130-A152 WeakPolarHBondContact O-CB 3.41Å
131S97.1Very high98Very high25 Ų2556 Ų5618%0.17530%0.297CS..  trans-122.5158.5-176.170.90000112.5K126 D128K126-S131 WeakPolarHBondContact CB-O 3.38Å; K126-S131 VanDerWaalsContact CD-OG 3.22Å; K126-S131 WeakPolarHBondContact CD-OG 3.34Å; K126-S131 WeakPolarHBondContact CE-OG 3.48Å; K126-S131 WeakPolarHBondContact CG-O 3.03Å; K126-S131 PolarHBondContact N-O 3.24Å; K126-S131 PolarHBondContact NZ-OG 2.89Å; D128-S131 PolarHBondContact OD1-N 3.32Å; D128-S131 PolarHBondContact OD1-OG 3.21Å; D128-S131 PolarHBondContact OD2-OG 2.7Å
132W98.6Very high98Very high2 Ų250.8 Ų50.81%0.00827%0.269CS..EExtended strand (participates in β ladder)trans-112.8144.2-177.6-59.391.6000111.8R113 I123 A124 L125 K143 W146 V151 A152 W155R113-W132 HydrophobicContact CG-CH2 3.87Å; R113-W132 HydrophobicContact CG-CZ3 3.94Å; I123-W132 HydrophobicContact CD1-CB 4.14Å; I123-W132 HydrophobicContact CD1-CD2 4.37Å; I123-W132 HydrophobicContact CD1-CE3 4.22Å; I123-W132 HydrophobicContact CD1-CG 4.36Å; I123-W132 HydrophobicContact CG1-CB 4.22Å; I123-W132 HydrophobicContact CG1-CE3 4.07Å; A124-W132 CarbonylContact O-C 3.49Å; A124-W132 WeakPolarHBondContact O-CA 3.27Å; L125-W132 HydrophobicContact CB-CE3 3.94Å; L125-W132 HydrophobicContact CB-CH2 4.05Å; L125-W132 HydrophobicContact CB-CZ3 3.61Å; L125-W132 HydrophobicContact CD1-CD2 4.1Å; L125-W132 HydrophobicContact CD1-CE3 4.25Å; L125-W132 HydrophobicContact CD1-CH2 4.06Å; L125-W132 HydrophobicContact CD1-CZ2 3.89Å; L125-W132 HydrophobicContact CD1-CZ3 4.22Å; L125-W132 HydrophobicContact CG-CH2 4.5Å; L125-W132 HydrophobicContact CG-CZ3 4.47Å; W132-K143 HydrophobicContact CB-CD 4.29Å; W132-K143 HydrophobicContact CB-CG 4.09Å; W132-K143 WeakPolarHBondContact O-CE 3.34Å; W132-K143 PolarHBondContact O-NZ 2.96Å; W132-W146 AromaticContact CD2-CE3 3.87Å; W132-W146 HydrophobicContact CD2-CE3 3.87Å; W132-W146 HydrophobicContact CD2-CZ3 4.38Å; 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 AromaticContact CH2-CE3 3.44Å; W132-W146 HydrophobicContact CH2-CE3 3.44Å; W132-W146 VanDerWaalsContact CH2-CE3 3.44Å; W132-W146 AromaticContact CH2-CZ3 3.36Å; W132-W146 HydrophobicContact CH2-CZ3 3.36Å; W132-W146 HydrophobicContact CZ2-CD2 4.48Å; W132-W146 AromaticContact CZ2-CE3 3.51Å; W132-W146 HydrophobicContact CZ2-CE3 3.51Å; W132-W146 AromaticContact CZ2-CZ3 3.96Å; W132-W146 HydrophobicContact CZ2-CZ3 3.96Å; W132-W146 AromaticContact CZ3-CE3 3.6Å; W132-W146 HydrophobicContact CZ3-CE3 3.6Å; W132-W146 AromaticContact CZ3-CZ3 3.3Å; W132-W146 HydrophobicContact CZ3-CZ3 3.3Å; W132-V151 HydrophobicContact CZ2-CB 4.34Å; W132-V151 HydrophobicContact CZ2-CG1 3.99Å; W132-A152 HydrophobicContact CZ2-CB 4.28Å; W132-W155 AromaticContact CH2-CD1 3.96Å
133T98.6Very high97.9Very high74 Ų7452.2 Ų52.245%0.45428%0.276SS..EExtended strand (participates in β ladder)trans-103.2121.1166.5-60.70000108.2I123 A124 K126I123-T133 CarbonylContact C-O 3.56Å; I123-T133 WeakPolarHBondContact CA-O 3.38Å; I123-T133 WeakPolarHBondContact CG1-O 3.49Å; A124-T133 PolarHBondContact N-O 2.83Å; A124-T133 PolarHBondContact O-N 3.21Å; K126-T133 VanDerWaalsContact CE-OG1 3.23Å; K126-T133 WeakPolarHBondContact CE-OG1 3.46Å; K126-T133 WeakPolarHBondContact CG-OG1 3.43Å
134A98.6Very high97.9Very high17 Ų1757.6 Ų57.614%0.1430%0.301CS..EExtended strand (participates in β ladder)trans-102.5135.8174.700000109.3A139 Q140 K143A134-A139 HydrophobicContact CB-CB 3.7Å; A134-Q140 HydrophobicContact CB-CG 4.35Å; A134-K143 HydrophobicContact CB-CB 4.26Å; A134-K143 HydrophobicContact CB-CD 4.18Å
135A98.3Very high97.9Very high60 Ų6061.9 Ų61.950%0.49631%0.313SS..SBendtrans-77.5-31.8-174.400000113.4D121 Y122D121-A135 HydrophobicContact CB-CB 4.29Å; D121-A135 WeakPolarHBondContact O-CB 3.3Å; Y122-A135 WeakPolarHBondContact O-CB 3.41Å; Y122-A135 PolarHBondContact O-N 3.12Å
136D97.9Very high97.9Very high58 Ų5863.7 Ų63.731%0.3132%0.319SS..SBendtrans-149.5-174.9-178.766.830.1000112.6Y84 A138 A139 Q140Y84-D136 VanDerWaalsContact CE1-OD2 3.23Å; Y84-D136 WeakPolarHBondContact CE1-OD2 3.47Å; Y84-D136 VanDerWaalsContact OH-CG 3.25Å; Y84-D136 PolarHBondContact OH-OD1 2.73Å; Y84-D136 PolarHBondContact OH-OD2 2.71Å; D136-A138 VanDerWaalsContact C-N 3.34Å; D136-A138 PolarHBondContact O-N 3.47Å; D136-A138 WeakPolarHBondContact OD1-CA 3.46Å; D136-A138 WeakPolarHBondContact OD1-CB 3.26Å; D136-A138 PolarHBondContact OD1-N 2.97Å; D136-A139 PolarHBondContact O-N 3.05Å; D136-A139 PolarHBondContact OD1-N 2.71Å; D136-Q140 WeakPolarHBondContact O-CG 3.3Å; D136-Q140 PolarHBondContact O-N 3.3Å
137M96.7Very high97.8Very high154 Ų15463.3 Ų63.376%0.75932%0.319SS*.Hα-helixtrans-65.5-31.3-179-67.7-55.5-58.500114Q140M137-Q140 PolarHBondContact O-N 2.99Å; M137-Q140 HydrophobicContact SD-CG 4.49Å
138A96.5Very high97.9Very high12 Ų1260.8 Ų60.810%0.09932%0.321CS..Hα-helixtrans-68.9-44.9175.100000109.6Y83 Y84 Y122 D136 Q140 T141Y83-A138 HydrophobicContact CD2-CB 4.5Å; Y84-A138 HydrophobicContact CD1-CB 4.18Å; Y84-A138 HydrophobicContact CD2-CB 4.44Å; Y84-A138 HydrophobicContact CE1-CB 3.62Å; Y84-A138 HydrophobicContact CE2-CB 3.9Å; Y84-A138 VanDerWaalsContact CZ-CB 3.46Å; Y122-A138 PolarHBondContact OH-O 3.3Å; D136-A138 VanDerWaalsContact C-N 3.34Å; D136-A138 PolarHBondContact O-N 3.47Å; D136-A138 WeakPolarHBondContact OD1-CA 3.46Å; D136-A138 WeakPolarHBondContact OD1-CB 3.26Å; D136-A138 PolarHBondContact OD1-N 2.97Å; A138-Q140 VanDerWaalsContact C-N 3.27Å; A138-Q140 PolarHBondContact O-N 3.47Å; A138-T141 VanDerWaalsContact O-CB 3.22Å; A138-T141 WeakPolarHBondContact O-CB 3.5Å; A138-T141 PolarHBondContact O-N 3.47Å; A138-T141 PolarHBondContact O-OG1 2.9Å
139A98.2Very high97.9Very high0 Ų059.8 Ų59.80%032%0.323CS..Hα-helixtrans-61.5-30.7175.500000113.7Y122 A134 D136 T141 T142 K143Y122-A139 HydrophobicContact CD2-CB 3.79Å; Y122-A139 HydrophobicContact CE1-CB 4.46Å; Y122-A139 HydrophobicContact CE2-CB 3.64Å; Y122-A139 HydrophobicContact CG-CB 4.26Å; Y122-A139 WeakPolarHBondContact O-CB 3.35Å; A134-A139 HydrophobicContact CB-CB 3.7Å; D136-A139 PolarHBondContact O-N 3.05Å; D136-A139 PolarHBondContact OD1-N 2.71Å; A139-T141 PolarHBondContact O-N 2.89Å; A139-T142 PolarHBondContact O-N 3.16Å; A139-T142 VanDerWaalsContact O-N 3.16Å; A139-K143 PolarHBondContact O-N 3.27Å
140Q98.3Very high97.9Very high56 Ų5664.6 Ų64.626%0.26235%0.345SS..Hα-helixtrans-58.1-33.9172.2-66.7-63-20.300112A134 D136 M137 A138 K143 H144A134-Q140 HydrophobicContact CB-CG 4.35Å; D136-Q140 WeakPolarHBondContact O-CG 3.3Å; D136-Q140 PolarHBondContact O-N 3.3Å; M137-Q140 PolarHBondContact O-N 2.99Å; M137-Q140 HydrophobicContact SD-CG 4.49Å; A138-Q140 VanDerWaalsContact C-N 3.27Å; A138-Q140 PolarHBondContact O-N 3.47Å; Q140-K143 PolarHBondContact O-N 3.04Å; Q140-H144 PolarHBondContact O-N 2.71Å
141T97.3Very high97.9Very high59 Ų5957.7 Ų57.736%0.36232%0.322SS..Hα-helixtrans-64.4-44.5177-56.10000111.1Y83 A138 A139 K145Y83-T141 HydrophobicContact CE1-CG2 4.25Å; Y83-T141 HydrophobicContact CE2-CG2 4.08Å; A138-T141 VanDerWaalsContact O-CB 3.22Å; A138-T141 WeakPolarHBondContact O-CB 3.5Å; A138-T141 PolarHBondContact O-N 3.47Å; A138-T141 PolarHBondContact O-OG1 2.9Å; A139-T141 PolarHBondContact O-N 2.89Å; T141-K145 WeakPolarHBondContact O-CG 3.42Å; T141-K145 PolarHBondContact O-N 3.44Å
142T97.9Very high98Very high18 Ų1856.8 Ų56.811%0.1132%0.316CS..Hα-helixtrans-64.9-43.9174.1-68.80000111.2Y122 I123 A139 H144 K145 W146Y122-T142 HydrophobicContact CE1-CG2 4.15Å; Y122-T142 WeakPolarHBondContact OH-CB 3.36Å; Y122-T142 PolarHBondContact OH-OG1 2.89Å; I123-T142 HydrophobicContact CD1-CG2 4.07Å; A139-T142 PolarHBondContact O-N 3.16Å; A139-T142 VanDerWaalsContact O-N 3.16Å; T142-H144 PolarHBondContact O-N 3.23Å; T142-K145 WeakPolarHBondContact O-CB 3.4Å; T142-K145 PolarHBondContact O-N 2.88Å; T142-W146 HydrophobicContact CG2-CD2 3.86Å; T142-W146 HydrophobicContact CG2-CE3 4.4Å; T142-W146 HydrophobicContact CG2-CG 4.14Å; T142-W146 HydrophobicContact CG2-CZ2 4.05Å; T142-W146 WeakPolarHBondContact O-CB 3.43Å; T142-W146 PolarHBondContact O-N 3.42Å
143K98.6Very high98Very high41 Ų4162.7 Ų62.718%0.17834%0.344CS..Hα-helixtrans-53.9-51.9177.6173.9175.7171.8-169.90112I123 W132 A134 A139 Q140 K145 W146 E147I123-K143 HydrophobicContact CD1-CB 3.87Å; W132-K143 HydrophobicContact CB-CD 4.29Å; W132-K143 HydrophobicContact CB-CG 4.09Å; W132-K143 WeakPolarHBondContact O-CE 3.34Å; W132-K143 PolarHBondContact O-NZ 2.96Å; A134-K143 HydrophobicContact CB-CB 4.26Å; A134-K143 HydrophobicContact CB-CD 4.18Å; A139-K143 PolarHBondContact O-N 3.27Å; Q140-K143 PolarHBondContact O-N 3.04Å; K143-K145 VanDerWaalsContact C-N 3.31Å; K143-K145 PolarHBondContact O-N 3.36Å; K143-W146 PolarHBondContact O-N 2.72Å; K143-W146 VanDerWaalsContact O-N 3.16Å; K143-E147 WeakPolarHBondContact CE-OE1 3.37Å; K143-E147 HydrophobicContact CG-CG 4.31Å; K143-E147 IonicContact NZ-OE1 3.51Å; K143-E147 WeakPolarHBondContact O-CB 3.43Å; K143-E147 WeakPolarHBondContact O-CG 3.28Å; K143-E147 PolarHBondContact O-N 3.2Å
144H98.4Very high97.9Very high117 Ų11765.6 Ų65.654%0.54235%0.352SS..Hα-helixtrans-60.5-39.7179.6-67.6168.3000112.5Q140 T142 A148Q140-H144 PolarHBondContact O-N 2.71Å; T142-H144 PolarHBondContact O-N 3.23Å; H144-A148 WeakPolarHBondContact O-CB 3.37Å; H144-A148 PolarHBondContact O-N 2.84Å
145K97.8Very high97.9Very high121 Ų12167 Ų6753%0.52635%0.354SS..Hα-helixtrans-63.1-44175.6-72.3176.9175.5-177.10111.6Y83 T141 T142 K143 A149Y83-K145 PolarHBondContact OH-NZ 3.12Å; T141-K145 WeakPolarHBondContact O-CG 3.42Å; T141-K145 PolarHBondContact O-N 3.44Å; T142-K145 WeakPolarHBondContact O-CB 3.4Å; T142-K145 PolarHBondContact O-N 2.88Å; K143-K145 VanDerWaalsContact C-N 3.31Å; K143-K145 PolarHBondContact O-N 3.36Å; K145-A149 WeakPolarHBondContact O-CB 3.44Å; K145-A149 PolarHBondContact O-N 2.63Å
146W98.1Very high97.9Very high54 Ų5467.8 Ų67.821%0.20534%0.344CS..Hα-helixtrans-71.4-35.4-178.8-77.313.1000113.1D115 I123 W132 T142 K143 A149 H150 V151D115-W146 WeakPolarHBondContact OD2-CH2 3.36Å; I123-W146 HydrophobicContact CD1-CE3 4.02Å; I123-W146 HydrophobicContact CD1-CZ3 4.32Å; I123-W146 HydrophobicContact CG2-CH2 4.14Å; I123-W146 HydrophobicContact CG2-CZ3 3.84Å; W132-W146 AromaticContact CD2-CE3 3.87Å; W132-W146 HydrophobicContact CD2-CE3 3.87Å; W132-W146 HydrophobicContact CD2-CZ3 4.38Å; 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 AromaticContact CH2-CE3 3.44Å; W132-W146 HydrophobicContact CH2-CE3 3.44Å; W132-W146 VanDerWaalsContact CH2-CE3 3.44Å; W132-W146 AromaticContact CH2-CZ3 3.36Å; W132-W146 HydrophobicContact CH2-CZ3 3.36Å; W132-W146 HydrophobicContact CZ2-CD2 4.48Å; W132-W146 AromaticContact CZ2-CE3 3.51Å; W132-W146 HydrophobicContact CZ2-CE3 3.51Å; W132-W146 AromaticContact CZ2-CZ3 3.96Å; W132-W146 HydrophobicContact CZ2-CZ3 3.96Å; W132-W146 AromaticContact CZ3-CE3 3.6Å; W132-W146 HydrophobicContact CZ3-CE3 3.6Å; W132-W146 AromaticContact CZ3-CZ3 3.3Å; W132-W146 HydrophobicContact CZ3-CZ3 3.3Å; T142-W146 HydrophobicContact CG2-CD2 3.86Å; T142-W146 HydrophobicContact CG2-CE3 4.4Å; T142-W146 HydrophobicContact CG2-CG 4.14Å; T142-W146 HydrophobicContact CG2-CZ2 4.05Å; T142-W146 WeakPolarHBondContact O-CB 3.43Å; T142-W146 PolarHBondContact O-N 3.42Å; K143-W146 PolarHBondContact O-N 2.72Å; K143-W146 VanDerWaalsContact O-N 3.16Å; W146-A149 CarbonylContact O-C 3.47Å; W146-A149 PolarHBondContact O-N 3.2Å; W146-H150 PolarHBondContact O-N 3.12Å; W146-H150 VanDerWaalsContact O-N 3.08Å; W146-V151 HydrophobicContact CB-CB 3.97Å; W146-V151 HydrophobicContact CB-CG2 3.97Å; W146-V151 HydrophobicContact CD2-CB 4.45Å; W146-V151 HydrophobicContact CD2-CG1 4.13Å; W146-V151 HydrophobicContact CE3-CG1 4.32Å; W146-V151 HydrophobicContact CG-CB 4.11Å; W146-V151 HydrophobicContact CG-CG1 4.28Å; W146-V151 HydrophobicContact CG-CG2 3.95Å; W146-V151 PolarHBondContact O-N 3.19Å
147E98.3Very high98Very high78 Ų7868.3 Ų68.336%0.36436%0.356SS..Hα-helixtrans-66-46.4172.8-73.3175.3160.900111K143 A149 H150K143-E147 WeakPolarHBondContact CE-OE1 3.37Å; K143-E147 HydrophobicContact CG-CG 4.31Å; K143-E147 IonicContact NZ-OE1 3.51Å; K143-E147 WeakPolarHBondContact O-CB 3.43Å; K143-E147 WeakPolarHBondContact O-CG 3.28Å; K143-E147 PolarHBondContact O-N 3.2Å; E147-A149 PolarHBondContact O-N 2.79Å; E147-H150 PolarHBondContact O-N 2.99Å; E147-H150 VanDerWaalsContact O-N 3.12Å
148A98.2Very high98Very high82 Ų8263.7 Ų63.768%0.67833%0.33SS*.Hα-helixtrans-62.6-29.8176.200000113.2H144H144-A148 WeakPolarHBondContact O-CB 3.37Å; H144-A148 PolarHBondContact O-N 2.84Å
149A98Very high98.2Very high57 Ų5763.1 Ų63.147%0.47133%0.326SS..THydrogen-bonded Turntrans-94.26.6178.100000113.8K145 W146 E147 V151K145-A149 WeakPolarHBondContact O-CB 3.44Å; K145-A149 PolarHBondContact O-N 2.63Å; W146-A149 CarbonylContact O-C 3.47Å; W146-A149 PolarHBondContact O-N 3.2Å; E147-A149 PolarHBondContact O-N 2.79Å; A149-V151 HydrophobicContact CB-CG2 3.95Å; A149-V151 PolarHBondContact O-N 3.31Å
150H97.5Very high98.2Very high105 Ų10566.7 Ų66.749%0.48634%0.343SS..THydrogen-bonded Turntrans53.634.6179.4-62.8-92.4000114.1W146 E147 A152 E153W146-H150 PolarHBondContact O-N 3.12Å; W146-H150 VanDerWaalsContact O-N 3.08Å; E147-H150 PolarHBondContact O-N 2.99Å; E147-H150 VanDerWaalsContact O-N 3.12Å; H150-A152 PolarHBondContact O-N 2.88Å; H150-E153 HydrophobicContact CB-CG 4.43Å; H150-E153 IonicContact CE1-OE1 2.75Å; H150-E153 IonicContact CG-OE1 3.26Å; H150-E153 IonicContact ND1-OE1 3.68Å; H150-E153 PolarHBondContact ND1-OE1 3.1Å; H150-E153 PolarHBondContact O-N 3.35Å; H150-E153 VanDerWaalsContact O-N 3.09Å
151V98.3Very high98.2Very high21 Ų2165.2 Ų65.213%0.12734%0.342CS..Hα-helixtrans-62.3-30.5-174.8176.50000111.9W132 W146 A149 E153 Q154 W155W132-V151 HydrophobicContact CZ2-CB 4.34Å; W132-V151 HydrophobicContact CZ2-CG1 3.99Å; W146-V151 HydrophobicContact CB-CB 3.97Å; W146-V151 HydrophobicContact CB-CG2 3.97Å; W146-V151 HydrophobicContact CD2-CB 4.45Å; W146-V151 HydrophobicContact CD2-CG1 4.13Å; W146-V151 HydrophobicContact CE3-CG1 4.32Å; W146-V151 HydrophobicContact CG-CB 4.11Å; W146-V151 HydrophobicContact CG-CG1 4.28Å; W146-V151 HydrophobicContact CG-CG2 3.95Å; W146-V151 PolarHBondContact O-N 3.19Å; A149-V151 HydrophobicContact CB-CG2 3.95Å; A149-V151 PolarHBondContact O-N 3.31Å; V151-E153 VanDerWaalsContact C-N 3.3Å; V151-E153 PolarHBondContact O-N 2.75Å; V151-Q154 PolarHBondContact O-N 3.23Å; V151-W155 VanDerWaalsContact O-CD1 3.31Å; V151-W155 PolarHBondContact O-N 2.84Å
152A98.4Very high98.2Very high7 Ų765.1 Ų65.16%0.05834%0.342CS..Hα-helixtrans-61.4-36.6176.600000112.7L125 R130 W132 H150 Q154 W155 R156L125-A152 HydrophobicContact CD1-CB 3.95Å; R130-A152 WeakPolarHBondContact O-CB 3.41Å; W132-A152 HydrophobicContact CZ2-CB 4.28Å; H150-A152 PolarHBondContact O-N 2.88Å; A152-Q154 PolarHBondContact O-N 2.82Å; A152-W155 PolarHBondContact O-N 2.87Å; A152-R156 VanDerWaalsContact O-CB 3.28Å; A152-R156 WeakPolarHBondContact O-CB 3.19Å; A152-R156 PolarHBondContact O-N 2.94Å
153E98.1Very high98.2Very high126 Ų12664.3 Ų64.359%0.58934%0.337SS*.Hα-helixtrans-66.8-38.9-179-64.5174.4-157.300111.5H150 V151 R156 A157H150-E153 HydrophobicContact CB-CG 4.43Å; H150-E153 IonicContact CE1-OE1 2.75Å; H150-E153 IonicContact CG-OE1 3.26Å; H150-E153 IonicContact ND1-OE1 3.68Å; H150-E153 PolarHBondContact ND1-OE1 3.1Å; H150-E153 PolarHBondContact O-N 3.35Å; H150-E153 VanDerWaalsContact O-N 3.09Å; V151-E153 VanDerWaalsContact C-N 3.3Å; V151-E153 PolarHBondContact O-N 2.75Å; E153-R156 PolarHBondContact O-N 3.49Å; E153-A157 WeakPolarHBondContact O-CB 3.42Å; E153-A157 PolarHBondContact O-N 3.26Å
154Q97.6Very high98.3Very high134 Ų13462.7 Ų62.763%0.62633%0.33SS*.Hα-helixtrans-64.7-46.3175.9-60.2179.614.100111.2V151 A152 A157 Y158V151-Q154 PolarHBondContact O-N 3.23Å; A152-Q154 PolarHBondContact O-N 2.82Å; Q154-A157 PolarHBondContact O-N 2.89Å; Q154-Y158 PolarHBondContact O-N 3.45Å; Q154-Y158 VanDerWaalsContact O-N 3.1Å
155W98.4Very high98.3Very high47 Ų4763.1 Ų63.118%0.17833%0.332CS..Hα-helixtrans-64.6-41.6176.6-80.6108.6000112M96 Y98 R113 L125 W132 V151 A152 A157 Y158 L159M96-W155 HydrophobicContact CE-CH2 3.72Å; M96-W155 HydrophobicContact CE-CZ2 3.8Å; Y98-W155 HydrophobicContact CD1-CH2 4.21Å; Y98-W155 HydrophobicContact CD1-CZ3 4.4Å; Y98-W155 HydrophobicContact CD2-CH2 4.44Å; Y98-W155 AromaticContact CD2-CZ3 3.86Å; Y98-W155 HydrophobicContact CD2-CZ3 3.86Å; Y98-W155 HydrophobicContact CE2-CZ3 4.41Å; Y98-W155 HydrophobicContact CG-CH2 4.13Å; Y98-W155 AromaticContact CG-CZ3 3.86Å; Y98-W155 HydrophobicContact CG-CZ3 3.86Å; R113-W155 HydrophobicContact CB-CD2 4.48Å; R113-W155 VanDerWaalsContact CD-CE2 3.47Å; R113-W155 VanDerWaalsContact CD-CZ2 3.48Å; R113-W155 HydrophobicContact CG-CD2 4Å; R113-W155 HydrophobicContact CG-CE3 4.46Å; R113-W155 HydrophobicContact CG-CG 4.23Å; R113-W155 HydrophobicContact CG-CZ2 4.48Å; R113-W155 VanDerWaalsContact NE-CZ2 3.26Å; L125-W155 HydrophobicContact CD2-CB 4.09Å; W132-W155 AromaticContact CH2-CD1 3.96Å; V151-W155 VanDerWaalsContact O-CD1 3.31Å; V151-W155 PolarHBondContact O-N 2.84Å; A152-W155 PolarHBondContact O-N 2.87Å; W155-A157 PolarHBondContact O-N 2.87Å; W155-Y158 HydrophobicContact CE3-CD1 4.13Å; W155-Y158 HydrophobicContact CZ3-CD1 4.08Å; W155-Y158 HydrophobicContact CZ3-CE1 4.4Å; W155-Y158 PolarHBondContact O-N 3Å; W155-L159 HydrophobicContact CB-CD1 4.4Å; W155-L159 VanDerWaalsContact O-CB 3.28Å; W155-L159 WeakPolarHBondContact O-CB 3.45Å; W155-L159 WeakPolarHBondContact O-CG 3.3Å; W155-L159 PolarHBondContact O-N 3.5Å
156R98.6Very high98.3Very high77 Ų7759.6 Ų59.629%0.29132%0.316SS..Hα-helixtrans-58.6-47.3176.2-175.6173.9179.4-142.3-15.1111.7L129 A152 E153 Y158 L159 E160L129-R156 HydrophobicContact CB-CB 4.05Å; L129-R156 HydrophobicContact CB-CG 3.87Å; L129-R156 HydrophobicContact CD1-CG 4.11Å; A152-R156 VanDerWaalsContact O-CB 3.28Å; A152-R156 WeakPolarHBondContact O-CB 3.19Å; A152-R156 PolarHBondContact O-N 2.94Å; E153-R156 PolarHBondContact O-N 3.49Å; R156-Y158 VanDerWaalsContact C-N 3.32Å; R156-Y158 PolarHBondContact O-N 2.84Å; R156-L159 PolarHBondContact O-N 2.82Å; R156-E160 HydrophobicContact CG-CG 4.17Å; R156-E160 IonicContact CZ-OE1 3.96Å; R156-E160 IonicContact CZ-OE2 2.82Å; R156-E160 IonicContact NE-OE1 2.73Å; R156-E160 PolarHBondContact NE-OE1 2.82Å; R156-E160 IonicContact NE-OE2 2.88Å; R156-E160 PolarHBondContact NE-OE2 2.84Å; R156-E160 IonicContact NH2-OE1 3.79Å; R156-E160 PolarHBondContact NH2-OE1 2.92Å; R156-E160 IonicContact NH2-OE2 3.48Å; R156-E160 PolarHBondContact NH2-OE2 2.87Å; R156-E160 WeakPolarHBondContact O-CB 3.45Å; R156-E160 PolarHBondContact O-N 2.86Å
157A98.4Very high98.3Very high68 Ų6857 Ų5756%0.56231%0.306SS*.Hα-helixtrans-59.9-42.1177.500000112.2E153 Q154 W155 G161E153-A157 WeakPolarHBondContact O-CB 3.42Å; E153-A157 PolarHBondContact O-N 3.26Å; Q154-A157 PolarHBondContact O-N 2.89Å; W155-A157 PolarHBondContact O-N 2.87Å; A157-G161 PolarHBondContact O-N 2.9Å; A157-G161 VanDerWaalsContact O-N 3.15Å
158Y98.4Very high98.3Very high57 Ų5759.1 Ų59.122%0.22431%0.311CS..Iπ-helixtrans-65.3-47.6175.1173.1-97.5000112.4Y98 Q154 W155 R156 T162 C163Y98-Y158 AromaticContact CD2-CE1 3.86Å; Y98-Y158 HydrophobicContact CD2-CE1 3.86Å; Y98-Y158 AromaticContact CE2-CE1 3.72Å; Y98-Y158 HydrophobicContact CE2-CE1 3.72Å; Y98-Y158 AromaticContact CE2-CZ 3.98Å; Q154-Y158 PolarHBondContact O-N 3.45Å; Q154-Y158 VanDerWaalsContact O-N 3.1Å; W155-Y158 HydrophobicContact CE3-CD1 4.13Å; W155-Y158 HydrophobicContact CZ3-CD1 4.08Å; W155-Y158 HydrophobicContact CZ3-CE1 4.4Å; W155-Y158 PolarHBondContact O-N 3Å; R156-Y158 VanDerWaalsContact C-N 3.32Å; R156-Y158 PolarHBondContact O-N 2.84Å; Y158-T162 HydrophobicContact CD2-CG2 4.02Å; Y158-T162 HydrophobicContact CE2-CG2 3.88Å; Y158-T162 PolarHBondContact O-N 3.17Å; Y158-T162 VanDerWaalsContact O-N 3.14Å; Y158-C163 HydrophobicContact CD1-CB 4.32Å; Y158-C163 HydrophobicContact CE1-CB 3.92Å; Y158-C163 WeakPolarHBondContact O-CB 3.46Å; Y158-C163 PolarHBondContact O-N 2.73Å
159L98.7Very high98.3Very high0 Ų061 Ų610%030%0.3CS..Iπ-helixtrans-70.7-41.7-173.2-69.7171.9000112.6G99 F108 L125 L129 W155 R156G99-L159 WeakPolarHBondContact O-CD2 3.42Å; F108-L159 WeakPolarHBondContact CE2-O 3.49Å; L125-L159 HydrophobicContact CD2-CD1 4Å; L129-L159 HydrophobicContact CD2-CD1 4.07Å; W155-L159 HydrophobicContact CB-CD1 4.4Å; W155-L159 VanDerWaalsContact O-CB 3.28Å; W155-L159 WeakPolarHBondContact O-CB 3.45Å; W155-L159 WeakPolarHBondContact O-CG 3.3Å; W155-L159 PolarHBondContact O-N 3.5Å; R156-L159 PolarHBondContact O-N 2.82Å
160E98.4Very high98.3Very high76 Ų7658.3 Ų58.336%0.35528%0.278SS..Iπ-helixtrans-78.1-25.9178.4-67.6-178.717800112.4F108 L129 R156F108-E160 HydrophobicContact CD1-CG 4.23Å; F108-E160 HydrophobicContact CE1-CG 3.99Å; F108-E160 HydrophobicContact CE2-CG 4.43Å; F108-E160 HydrophobicContact CZ-CG 4.1Å; L129-E160 HydrophobicContact CD1-CG 3.98Å; R156-E160 HydrophobicContact CG-CG 4.17Å; R156-E160 IonicContact CZ-OE1 3.96Å; R156-E160 IonicContact CZ-OE2 2.82Å; R156-E160 IonicContact NE-OE1 2.73Å; R156-E160 PolarHBondContact NE-OE1 2.82Å; R156-E160 IonicContact NE-OE2 2.88Å; R156-E160 PolarHBondContact NE-OE2 2.84Å; R156-E160 IonicContact NH2-OE1 3.79Å; R156-E160 PolarHBondContact NH2-OE1 2.92Å; R156-E160 IonicContact NH2-OE2 3.48Å; R156-E160 PolarHBondContact NH2-OE2 2.87Å; R156-E160 WeakPolarHBondContact O-CB 3.45Å; R156-E160 PolarHBondContact O-N 2.86Å
161G98.4Very high98.3Very high25 Ų2554 Ų5426%0.25826%0.258SS..Iπ-helixtrans-108-91.5-176.900000113.1A157 C163 V164 E165A157-G161 PolarHBondContact O-N 2.9Å; A157-G161 VanDerWaalsContact O-N 3.15Å; G161-C163 VanDerWaalsContact C-N 3.29Å; G161-C163 PolarHBondContact O-N 3.47Å; G161-V164 WeakPolarHBondContact O-CB 3.49Å; G161-V164 PolarHBondContact O-N 3.44Å; G161-E165 PolarHBondContact O-N 2.88Å
162T98.2Very high98.2Very high57 Ų5758.9 Ų58.935%0.3528%0.28SS..Iπ-helixtrans-53.9-41-170.4-570000113.5Y158 V164 E165 W166Y158-T162 HydrophobicContact CD2-CG2 4.02Å; Y158-T162 HydrophobicContact CE2-CG2 3.88Å; Y158-T162 PolarHBondContact O-N 3.17Å; Y158-T162 VanDerWaalsContact O-N 3.14Å; T162-V164 PolarHBondContact O-N 2.88Å; T162-E165 PolarHBondContact O-N 3.24Å; T162-W166 PolarHBondContact O-N 3.12Å
163C98.6Very high98.1Very high0 Ų060.9 Ų60.90%029%0.29CS..Hα-helixtrans-60.4-46.4178.1-175.40000111.6M4 C100 Y158 G161 W166 L167M4-C163 HydrophobicContact CE-CB 4.15Å; M4-C163 VanDerWaalsContact CE-O 3.23Å; M4-C163 WeakPolarHBondContact CE-O 3.4Å; M4-C163 WeakPolarHBondContact CE-SG 3.22Å; C100-C163 HydrophobicContact CB-CB 3.9Å; C100-C163 WeakPolarHBondContact CB-SG 3.44Å; C100-C163 PolarHBondContact N-SG 3.21Å; C100-C163 WeakPolarHBondContact SG-CB 2.86Å; C100-C163 CovalentContact SG-SG 2.04Å; C100-C163 PolarHBondContact SG-SG 3.37Å; Y158-C163 HydrophobicContact CD1-CB 4.32Å; Y158-C163 HydrophobicContact CE1-CB 3.92Å; Y158-C163 WeakPolarHBondContact O-CB 3.46Å; Y158-C163 PolarHBondContact O-N 2.73Å; G161-C163 VanDerWaalsContact C-N 3.29Å; G161-C163 PolarHBondContact O-N 3.47Å; C163-W166 PolarHBondContact O-N 3.27Å; C163-L167 WeakPolarHBondContact O-CB 3.49Å; C163-L167 PolarHBondContact O-N 2.73Å
164V98.6Very high98Very high7 Ų755 Ų554%0.04226%0.263CS..Hα-helixtrans-65.6-41.5179.1174.40000111.2V102 F108 G161 T162 L167 R168V102-V164 HydrophobicContact CG1-CB 4.41Å; V102-V164 HydrophobicContact CG1-CG1 3.9Å; V102-V164 HydrophobicContact CG1-CG2 4.07Å; F108-V164 HydrophobicContact CB-CG2 4.02Å; F108-V164 HydrophobicContact CD2-CG2 3.66Å; F108-V164 HydrophobicContact CG-CG2 4.32Å; G161-V164 WeakPolarHBondContact O-CB 3.49Å; G161-V164 PolarHBondContact O-N 3.44Å; T162-V164 PolarHBondContact O-N 2.88Å; V164-L167 PolarHBondContact O-N 3.1Å; V164-R168 WeakPolarHBondContact O-CG 3.42Å; V164-R168 PolarHBondContact O-N 3.41Å
165E98.4Very high97.9Very high126 Ų12653.8 Ų53.859%0.58926%0.255SS*.Hα-helixtrans-60.6-47.1176.9-69.9175.2170.900111.9G161 T162 R168 R169G161-E165 PolarHBondContact O-N 2.88Å; T162-E165 PolarHBondContact O-N 3.24Å; E165-R168 PolarHBondContact O-N 3.17Å; E165-R169 PolarHBondContact O-N 2.97Å; E165-R169 VanDerWaalsContact O-N 3.08Å
166W98.3Very high97.7Very high48 Ų4860.2 Ų60.218%0.18229%0.287CS..Hα-helixtrans-65.8-43.8176.9-80.5107.9000112.3M4 Y58 T162 C163 R168 R169 Y170M4-W166 HydrophobicContact CE-CB 4.03Å; M4-W166 HydrophobicContact SD-CB 4.36Å; Y58-W166 AromaticContact CD2-CH2 3.69Å; Y58-W166 HydrophobicContact CD2-CH2 3.69Å; Y58-W166 HydrophobicContact CD2-CZ2 4.4Å; Y58-W166 AromaticContact CD2-CZ3 3.8Å; Y58-W166 HydrophobicContact CD2-CZ3 3.8Å; Y58-W166 HydrophobicContact CE2-CE3 4.24Å; Y58-W166 HydrophobicContact CE2-CH2 4.09Å; Y58-W166 AromaticContact CE2-CZ3 3.82Å; Y58-W166 HydrophobicContact CE2-CZ3 3.82Å; T162-W166 PolarHBondContact O-N 3.12Å; C163-W166 PolarHBondContact O-N 3.27Å; W166-R168 VanDerWaalsContact C-N 3.33Å; W166-R168 PolarHBondContact O-N 3.31Å; W166-R169 PolarHBondContact O-N 3.34Å; W166-Y170 HydrophobicContact CB-CE2 3.96Å; W166-Y170 HydrophobicContact CE3-CD1 4.42Å; W166-Y170 AromaticContact CE3-CE1 3.48Å; W166-Y170 HydrophobicContact CE3-CE1 3.48Å; W166-Y170 VanDerWaalsContact CE3-CE1 3.48Å; W166-Y170 HydrophobicContact CE3-CE2 4.34Å; W166-Y170 AromaticContact CE3-CZ 3.43Å; W166-Y170 VanDerWaalsContact CE3-CZ 3.43Å; W166-Y170 AromaticContact CZ3-CE1 3.96Å; W166-Y170 HydrophobicContact CZ3-CE1 3.96Å; W166-Y170 VanDerWaalsContact O-CD2 3.29Å; W166-Y170 WeakPolarHBondContact O-CD2 3.49Å; W166-Y170 PolarHBondContact O-N 2.92Å
167L98.6Very high97.4Very high0 Ų058.8 Ų58.80%029%0.287CS..Hα-helixtrans-58.9-45.1177.5175.452.2000111.3H2 M4 V27 V102 C163 V164 R169 Y170 L171H2-L167 HydrophobicContact CB-CD1 4.41Å; M4-L167 HydrophobicContact CB-CB 4.09Å; M4-L167 HydrophobicContact CB-CD1 4.02Å; M4-L167 HydrophobicContact CB-CD2 4.14Å; M4-L167 HydrophobicContact CB-CG 4.3Å; M4-L167 HydrophobicContact CE-CB 4.49Å; V27-L167 HydrophobicContact CG1-CD1 3.64Å; V27-L167 HydrophobicContact CG2-CD1 4.28Å; V102-L167 HydrophobicContact CB-CD2 4.34Å; V102-L167 HydrophobicContact CG1-CD2 3.93Å; V102-L167 HydrophobicContact CG2-CD2 3.62Å; V102-L167 HydrophobicContact CG2-CG 4.16Å; C163-L167 WeakPolarHBondContact O-CB 3.49Å; C163-L167 PolarHBondContact O-N 2.73Å; V164-L167 PolarHBondContact O-N 3.1Å; L167-R169 PolarHBondContact O-N 2.9Å; L167-Y170 PolarHBondContact O-N 3.3Å; L167-L171 HydrophobicContact CD1-CD1 3.84Å; L167-L171 HydrophobicContact CD1-CD2 4.45Å; L167-L171 HydrophobicContact CD1-CG 3.89Å; L167-L171 HydrophobicContact CG-CD1 3.99Å; L167-L171 HydrophobicContact CG-CG 4.5Å; L167-L171 WeakPolarHBondContact O-CB 3.42Å; L167-L171 VanDerWaalsContact O-CG 3.27Å; L167-L171 WeakPolarHBondContact O-CG 3.39Å; L167-L171 PolarHBondContact O-N 2.82Å
168R98Very high97.2Very high122 Ų12255.8 Ų55.846%0.4626%0.261SS..Hα-helixtrans-60-44.5175.2-72.5174.1-177.51740.7112.4G106 V164 E165 W166 Y170 L171 E172G106-R168 PolarHBondContact O-NE 3.3Å; G106-R168 PolarHBondContact O-NH2 2.81Å; V164-R168 WeakPolarHBondContact O-CG 3.42Å; V164-R168 PolarHBondContact O-N 3.41Å; E165-R168 PolarHBondContact O-N 3.17Å; W166-R168 VanDerWaalsContact C-N 3.33Å; W166-R168 PolarHBondContact O-N 3.31Å; R168-Y170 VanDerWaalsContact C-N 3.35Å; R168-Y170 PolarHBondContact O-N 2.86Å; R168-L171 PolarHBondContact O-N 2.81Å; R168-E172 PolarHBondContact O-N 3.29Å; R168-E172 VanDerWaalsContact O-N 3.07Å
169R97.6Very high96.9Very high120 Ų12057.3 Ų57.345%0.45327%0.271SS..Hα-helixtrans-60.6-44.1176.5178.4177.2173.3117.7-7.6111.5E54 E165 W166 L167 E172 N173E54-R169 IonicContact OE1-CZ 3.53Å; E54-R169 IonicContact OE1-NE 3.9Å; E54-R169 PolarHBondContact OE1-NE 2.87Å; E54-R169 IonicContact OE1-NH2 2.76Å; E54-R169 PolarHBondContact OE1-NH2 3.48Å; E54-R169 IonicContact OE2-CZ 3.29Å; E54-R169 IonicContact OE2-NE 3.72Å; E54-R169 IonicContact OE2-NH2 3.42Å; E54-R169 PolarHBondContact OE2-NH2 2.82Å; E165-R169 PolarHBondContact O-N 2.97Å; E165-R169 VanDerWaalsContact O-N 3.08Å; W166-R169 PolarHBondContact O-N 3.34Å; L167-R169 PolarHBondContact O-N 2.9Å; R169-E172 PolarHBondContact O-N 2.99Å; R169-N173 VanDerWaalsContact O-CB 3.27Å; R169-N173 WeakPolarHBondContact O-CB 3.3Å; R169-N173 PolarHBondContact O-N 2.74Å; R169-N173 PolarHBondContact O-OD1 2.59Å
170Y98.1Very high96.7Very high1 Ų161 Ų610%0.00429%0.285CS..Hα-helixtrans-67-38.8178.8-61.3-27.9000112.7M4 V27 F32 W50 I51 Y58 W166 L167 R168 E172 N173 G174 L178M4-Y170 HydrophobicContact SD-CD2 3.77Å; M4-Y170 HydrophobicContact SD-CE2 3.53Å; M4-Y170 VanDerWaalsContact SD-CE2 3.53Å; V27-Y170 HydrophobicContact CG2-CD2 3.96Å; V27-Y170 HydrophobicContact CG2-CG 4.48Å; F32-Y170 HydrophobicContact CD2-CE2 4.48Å; F32-Y170 HydrophobicContact CE2-CD2 4.25Å; F32-Y170 AromaticContact CE2-CE2 3.66Å; F32-Y170 HydrophobicContact CE2-CE2 3.66Å; F32-Y170 AromaticContact CE2-CZ 3.97Å; F32-Y170 HydrophobicContact CZ-CD2 4.31Å; F32-Y170 AromaticContact CZ-CE2 3.82Å; F32-Y170 HydrophobicContact CZ-CE2 3.82Å; W50-Y170 HydrophobicContact CH2-CG 4.29Å; W50-Y170 AromaticContact CZ3-CD1 3.83Å; W50-Y170 HydrophobicContact CZ3-CD1 3.83Å; W50-Y170 HydrophobicContact CZ3-CD2 4.44Å; W50-Y170 AromaticContact CZ3-CG 3.73Å; W50-Y170 HydrophobicContact CZ3-CG 3.73Å; I51-Y170 HydrophobicContact CD1-CD1 3.79Å; I51-Y170 HydrophobicContact CD1-CE1 3.3Å; Y58-Y170 WeakPolarHBondContact CE2-OH 3.43Å; Y58-Y170 PolarHBondContact OH-OH 3.06Å; W166-Y170 HydrophobicContact CB-CE2 3.96Å; W166-Y170 HydrophobicContact CE3-CD1 4.42Å; W166-Y170 AromaticContact CE3-CE1 3.48Å; W166-Y170 HydrophobicContact CE3-CE1 3.48Å; W166-Y170 VanDerWaalsContact CE3-CE1 3.48Å; W166-Y170 HydrophobicContact CE3-CE2 4.34Å; W166-Y170 AromaticContact CE3-CZ 3.43Å; W166-Y170 VanDerWaalsContact CE3-CZ 3.43Å; W166-Y170 AromaticContact CZ3-CE1 3.96Å; W166-Y170 HydrophobicContact CZ3-CE1 3.96Å; W166-Y170 VanDerWaalsContact O-CD2 3.29Å; W166-Y170 WeakPolarHBondContact O-CD2 3.49Å; W166-Y170 PolarHBondContact O-N 2.92Å; L167-Y170 PolarHBondContact O-N 3.3Å; R168-Y170 VanDerWaalsContact C-N 3.35Å; R168-Y170 PolarHBondContact O-N 2.86Å; Y170-E172 VanDerWaalsContact C-N 3.29Å; Y170-E172 PolarHBondContact O-N 2.99Å; Y170-N173 PolarHBondContact O-N 2.85Å; Y170-G174 WeakPolarHBondContact O-CA 3.18Å; Y170-G174 PolarHBondContact O-N 3.2Å; Y170-L178 WeakPolarHBondContact O-CD1 3.32Å
171L97.4Very high96.5Very high14 Ų1460.2 Ų60.27%0.07329%0.285CS..Hα-helixtrans-64.3-33.9175.2-71.6168.3000112.6H2 V27 V102 L167 R168 K175 L178 Q179H2-L171 HydrophobicContact CB-CD1 3.67Å; H2-L171 HydrophobicContact CB-CD2 3.98Å; H2-L171 HydrophobicContact CB-CG 4.4Å; H2-L171 WeakPolarHBondContact ND1-CD2 3.39Å; V27-L171 HydrophobicContact CG1-CD2 4.05Å; V102-L171 HydrophobicContact CG2-CD1 4.46Å; L167-L171 HydrophobicContact CD1-CD1 3.84Å; L167-L171 HydrophobicContact CD1-CD2 4.45Å; L167-L171 HydrophobicContact CD1-CG 3.89Å; L167-L171 HydrophobicContact CG-CD1 3.99Å; L167-L171 HydrophobicContact CG-CG 4.5Å; L167-L171 WeakPolarHBondContact O-CB 3.42Å; L167-L171 VanDerWaalsContact O-CG 3.27Å; L167-L171 WeakPolarHBondContact O-CG 3.39Å; L167-L171 PolarHBondContact O-N 2.82Å; R168-L171 PolarHBondContact O-N 2.81Å; L171-K175 VanDerWaalsContact O-CA 3.23Å; L171-K175 WeakPolarHBondContact O-CA 3.5Å; L171-K175 WeakPolarHBondContact O-CB 3.21Å; L171-K175 PolarHBondContact O-N 2.81Å; L171-K175 VanDerWaalsContact O-N 3.15Å; L171-L178 HydrophobicContact CD2-CB 4.16Å; L171-L178 HydrophobicContact CD2-CD1 4.31Å; L171-Q179 PolarHBondContact O-NE2 3.36Å
172E96.9Very high96.4Very high125 Ų12561.8 Ų61.858%0.58429%0.287SS*.Hα-helixtrans-72.5-50.1173.6-171.559.7-149.100110.9R168 R169 Y170 G174 K175R168-E172 PolarHBondContact O-N 3.29Å; R168-E172 VanDerWaalsContact O-N 3.07Å; R169-E172 PolarHBondContact O-N 2.99Å; Y170-E172 VanDerWaalsContact C-N 3.29Å; Y170-E172 PolarHBondContact O-N 2.99Å; E172-G174 VanDerWaalsContact C-N 3.3Å; E172-G174 PolarHBondContact O-N 3.24Å; E172-K175 WeakPolarHBondContact O-CB 3.44Å; E172-K175 PolarHBondContact O-N 2.86Å
173N97.1Very high96.4Very high49 Ų4961.3 Ų61.326%0.26229%0.29SS..Hα-helixtrans-58.2-39.9179-78.33.9000113.1W50 Q53 E54 R169 Y170W50-N173 WeakPolarHBondContact CB-O 3.16Å; Q53-N173 PolarHBondContact NE2-ND2 3.01Å; E54-N173 PolarHBondContact OE1-ND2 3.01Å; R169-N173 VanDerWaalsContact O-CB 3.27Å; R169-N173 WeakPolarHBondContact O-CB 3.3Å; R169-N173 PolarHBondContact O-N 2.74Å; R169-N173 PolarHBondContact O-OD1 2.59Å; Y170-N173 PolarHBondContact O-N 2.85Å
174G96.3Very high96.4Very high2 Ų261.8 Ų61.82%0.02129%0.293CS..THydrogen-bonded Turntrans-10519.2-176.300000113.8Y170 E172 E176 T177 L178Y170-G174 WeakPolarHBondContact O-CA 3.18Å; Y170-G174 PolarHBondContact O-N 3.2Å; E172-G174 VanDerWaalsContact C-N 3.3Å; E172-G174 PolarHBondContact O-N 3.24Å; G174-E176 VanDerWaalsContact C-N 3.29Å; G174-E176 PolarHBondContact O-N 3.1Å; G174-E176 VanDerWaalsContact O-N 3.15Å; G174-T177 PolarHBondContact O-N 3.03Å; G174-L178 PolarHBondContact O-N 2.92Å
175K94.9Very high96.3Very high109 Ų10968.4 Ų68.447%0.47432%0.321SS..Hα-helixtrans-48.6-45.9-171.4-177.2174.1-175.9174.20114L171 E172 T177 Q179L171-K175 VanDerWaalsContact O-CA 3.23Å; L171-K175 WeakPolarHBondContact O-CA 3.5Å; L171-K175 WeakPolarHBondContact O-CB 3.21Å; L171-K175 PolarHBondContact O-N 2.81Å; L171-K175 VanDerWaalsContact O-N 3.15Å; E172-K175 WeakPolarHBondContact O-CB 3.44Å; E172-K175 PolarHBondContact O-N 2.86Å; K175-T177 PolarHBondContact O-N 3.35Å; K175-Q179 WeakPolarHBondContact O-CB 3.29Å; K175-Q179 PolarHBondContact O-N 2.74Å; K175-Q179 VanDerWaalsContact O-N 3.1Å
176E93.1Very high96.3Very high181 Ų18164.1 Ų64.185%0.84630%0.304SS*.Hα-helixtrans-64.7-23.9-179.7-62.9-175.1166.200113.7G174G174-E176 VanDerWaalsContact C-N 3.29Å; G174-E176 PolarHBondContact O-N 3.1Å; G174-E176 VanDerWaalsContact O-N 3.15Å
177T92.7Very high96.1Very high47 Ų4765.6 Ų65.629%0.28831%0.312SS..Hα-helixtrans-102.4-42.9-178.7-53.70000112.4G174 K175 R180G174-T177 PolarHBondContact O-N 3.03Å; K175-T177 PolarHBondContact O-N 3.35Å; T177-R180 VanDerWaalsContact O-CG 3.3Å; T177-R180 WeakPolarHBondContact O-CG 3.11Å
178L93.9Very high95.9Very high5 Ų567.2 Ų67.23%0.02632%0.32CS..Hα-helixtrans-85.8-24.3-172.3-62.9172.1000113.1V27 T30 W50 Y170 L171 G174V27-L178 HydrophobicContact CB-CD1 4.27Å; V27-L178 HydrophobicContact CB-CD2 4.13Å; V27-L178 HydrophobicContact CG1-CD1 3.91Å; V27-L178 HydrophobicContact CG1-CD2 4.1Å; T30-L178 HydrophobicContact CG2-CD2 4.09Å; W50-L178 HydrophobicContact CD2-CD1 4.45Å; W50-L178 HydrophobicContact CH2-CD1 4.27Å; W50-L178 HydrophobicContact CZ2-CD1 3.82Å; W50-L178 HydrophobicContact CZ2-CD2 4.04Å; W50-L178 HydrophobicContact CZ2-CG 4.31Å; Y170-L178 WeakPolarHBondContact O-CD1 3.32Å; L171-L178 HydrophobicContact CD2-CB 4.16Å; L171-L178 HydrophobicContact CD2-CD1 4.31Å; G174-L178 PolarHBondContact O-N 2.92Å
179Q92.4Very high95.7Very high89 Ų8963 Ų6342%0.41631%0.308SS..SBendtrans-109.115.8178.3-55.3179.535.600111.8L171 K175L171-Q179 PolarHBondContact O-NE2 3.36Å; K175-Q179 WeakPolarHBondContact O-CB 3.29Å; K175-Q179 PolarHBondContact O-N 2.74Å; K175-Q179 VanDerWaalsContact O-N 3.1Å
180R94.4Very high95.5Very high78 Ų7860.6 Ų60.629%0.29430%0.302SS..  trans-79.5159.3171.481.3-172.4173.2-176.33.4110.1T177 D182 Y208 G238T177-R180 VanDerWaalsContact O-CG 3.3Å; T177-R180 WeakPolarHBondContact O-CG 3.11Å; R180-D182 IonicContact CZ-OD2 3.71Å; R180-D182 IonicContact NE-OD2 3.62Å; R180-D182 PolarHBondContact NE-OD2 2.87Å; R180-Y208 HydrophobicContact CG-CD1 3.77Å; R180-Y208 HydrophobicContact CG-CE1 4.15Å; R180-Y208 HydrophobicContact CG-CG 4.49Å; R180-Y208 WeakPolarHBondContact O-CD1 3.22Å; R180-G238 PolarHBondContact NH2-O 2.69Å
181T95.1Very high95.2Very high60 Ų6064.7 Ų64.737%0.36832%0.321SS..  trans-138117.6170.4-35.20000109Y208 E263T181-Y208 WeakPolarHBondContact CA-O 3.33Å; T181-Y208 WeakPolarHBondContact CG2-O 3.35Å; T181-E263 HydrophobicContact CG2-CB 4.06Å; T181-E263 HydrophobicContact CG2-CG 4.15Å
182D96.3Very high94.9Very high57 Ų5767.7 Ų67.731%0.30535%0.348SS..BIsolated β-bridgetrans-105.8116.3-178.2-62.4-36.9000108.3R180 F207 Y208 H262R180-D182 IonicContact CZ-OD2 3.71Å; R180-D182 IonicContact NE-OD2 3.62Å; R180-D182 PolarHBondContact NE-OD2 2.87Å; D182-F207 VanDerWaalsContact O-CA 3.32Å; D182-F207 WeakPolarHBondContact O-CA 3.48Å; D182-F207 WeakPolarHBondContact O-CB 3.12Å; D182-Y208 PolarHBondContact N-O 2.88Å; D182-Y208 PolarHBondContact O-N 3.25Å; D182-H262 PolarHBondContact O-CE1 2.8Å
183A97.6Very high94.4Very high48 Ų4866.2 Ų66.240%0.39735%0.347SS..  trans-66.1140.4179.800000111.5K185 G264 L265A183-K185 PolarHBondContact O-N 2.97Å; A183-G264 WeakPolarHBondContact CB-O 3.4Å; A183-L265 HydrophobicContact CB-CD2 4.03Å
184P98Very high94.1Very high10 Ų1066.5 Ų66.57%0.06535%0.353CS..  trans-64.5132.817926.8-34.7000112.1T186 A204 F207 I212 V260 H262 L265P184-T186 HydrophobicContact CB-CG2 4.12Å; P184-T186 HydrophobicContact CG-CG2 4.28Å; P184-T186 PolarHBondContact O-N 3.28Å; P184-A204 HydrophobicContact CB-CB 3.88Å; P184-F207 HydrophobicContact CB-CB 3.84Å; P184-F207 HydrophobicContact CB-CD1 4.02Å; P184-F207 HydrophobicContact CB-CG 4.18Å; P184-I212 HydrophobicContact CB-CD1 4.09Å; P184-I212 HydrophobicContact CG-CD1 4.13Å; P184-V260 HydrophobicContact CG-CG1 4.04Å; P184-H262 HydrophobicContact CG-CB 4.17Å; P184-L265 HydrophobicContact CG-CD1 3.87Å; P184-L265 HydrophobicContact CG-CD2 4.37Å; P184-L265 HydrophobicContact CG-CG 4.18Å
185K97.8Very high93.6Very high145 Ų14573.6 Ų73.663%0.6339%0.39SS*.EExtended strand (participates in β ladder)trans-78.6105.8164.7-65.6177-174.1168.50108.1A183 L205A183-K185 PolarHBondContact O-N 2.97Å; K185-L205 HydrophobicContact CB-CB 4.47Å; K185-L205 PolarHBondContact N-O 3.49Å; K185-L205 PolarHBondContact O-N 2.9Å
186T96.9Very high93.4Very high37 Ų3775.2 Ų75.223%0.22740%0.399CS..EExtended strand (participates in β ladder)trans-101.5141.5-175.2590000112.5P184 W203 A204 V260 L269 L271P184-T186 HydrophobicContact CB-CG2 4.12Å; P184-T186 HydrophobicContact CG-CG2 4.28Å; P184-T186 PolarHBondContact O-N 3.28Å; T186-W203 WeakPolarHBondContact CA-O 3.5Å; T186-A204 HydrophobicContact CG2-CB 4.47Å; T186-V260 HydrophobicContact CG2-CG1 4.32Å; T186-V260 HydrophobicContact CG2-CG2 4.15Å; T186-L269 HydrophobicContact CG2-CD1 4.33Å; T186-L271 HydrophobicContact CG2-CD1 4.06Å
187H94.8Very high93.4Very high78 Ų7871 Ų7136%0.36138%0.379SS..EExtended strand (participates in β ladder)trans-152.5167.2169.569.5-77.2000110.5W203H187-W203 AromaticContact CD2-CD1 3.91Å; H187-W203 WeakPolarHBondContact CE1-CB 3.23Å; H187-W203 AromaticContact CE1-CD1 3.74Å; H187-W203 AromaticContact CE1-CG 3.44Å; H187-W203 VanDerWaalsContact CE1-CG 3.44Å; H187-W203 PolarHBondContact N-O 3.19Å; H187-W203 AromaticContact NE2-CD1 3.38Å; H187-W203 AromaticContact NE2-CG 3.58Å; H187-W203 AromaticContact NE2-NE1 3.91Å; H187-W203 PolarHBondContact O-N 3.21Å
188M94.9Very high93.4Very high35 Ų3568.8 Ų68.817%0.17237%0.366CS..EExtended strand (participates in β ladder)trans-118.8141.2178.3-66.5-179.174.400110.7R201 W216 L271 R272 W273M188-R201 WeakPolarHBondContact CA-O 3.36Å; M188-W216 HydrophobicContact CE-CH2 3.21Å; M188-W216 HydrophobicContact CE-CZ2 4.08Å; M188-W216 HydrophobicContact CE-CZ3 3.88Å; M188-L271 HydrophobicContact CG-CB 4.28Å; M188-L271 HydrophobicContact SD-CB 3.69Å; M188-R272 VanDerWaalsContact SD-O 3.32Å; M188-W273 HydrophobicContact CE-CB 3.85Å; M188-W273 HydrophobicContact SD-CB 4.37Å; M188-W273 PolarHBondContact SD-N 3.41Å; M188-W273 VanDerWaalsContact SD-N 3.36Å
189T93.8Very high93.5Very high34 Ų3469.6 Ų69.621%0.20937%0.371CS..EExtended strand (participates in β ladder)trans-118.9143.4173.250.90000109.1R201 W203T189-R201 PolarHBondContact N-O 2.82Å; T189-R201 PolarHBondContact O-N 3Å; T189-R201 WeakPolarHBondContact OG1-CB 3.05Å; T189-R201 PolarHBondContact OG1-O 3.09Å; T189-W203 PolarHBondContact OG1-NE1 3.18Å
190H93.6Very high93.6Very high68 Ų6865.4 Ų65.432%0.31535%0.351SS..EExtended strand (participates in β ladder)trans-121.7127.8178.3164.6-79000108.6A198 L200 W273H190-A198 VanDerWaalsContact NE2-CB 3.27Å; H190-A198 WeakPolarHBondContact NE2-CB 3.49Å; H190-L200 HydrophobicContact CB-CD2 3.98Å; H190-W273 HydrophobicContact CB-CZ2 4.16Å; H190-W273 VanDerWaalsContact CB-NE1 3.25Å; H190-W273 AromaticContact CG-CZ2 3.97Å; H190-W273 AromaticContact CG-NE1 4Å
191H91.6Very high93.7Very high88 Ų8863.9 Ų63.941%0.40735%0.346SS..EExtended strand (participates in β ladder)trans-127.3113.1177.5-60.3-75.1000108.9V193 A198 T199 R201H191-V193 PolarHBondContact O-N 2.74Å; H191-A198 CarbonylContact O-C 3.52Å; H191-A198 VanDerWaalsContact O-CA 3.31Å; H191-A198 WeakPolarHBondContact O-CA 3.27Å; H191-T199 PolarHBondContact N-O 3.1Å; H191-T199 PolarHBondContact O-N 2.71Å; H191-R201 PolarHBondContact CD2-NH1 2.84Å; H191-R201 VanDerWaalsContact CD2-NH1 3.27Å; H191-R201 PolarHBondContact NE2-NH1 2.61Å
192A90.6Very high93.7Very high77 Ų7761 Ų6164%0.63633%0.328SS*.EExtended strand (participates in β ladder)trans-65.7127.3172.100000109.2
193V87.7Confident93.8Very high94 Ų9460.5 Ų60.557%0.5732%0.322SS*.  trans-97.8-40.8177-179.60000109.6H191 E197 T199H191-V193 PolarHBondContact O-N 2.74Å; V193-E197 PolarHBondContact N-O 3.01Å; V193-T199 VanDerWaalsContact CG2-OG1 3.3Å; V193-T199 WeakPolarHBondContact CG2-OG1 3.28Å
194S89.2Confident93.8Very high54 Ų5458.2 Ų58.238%0.37830%0.303SS..SBendtrans-149.1-177.9174.771.20000110.5H196 E197S194-H196 PolarHBondContact O-N 2.81Å; S194-H196 PolarHBondContact OG-N 3.06Å; S194-H196 VanDerWaalsContact OG-N 3.16Å; S194-E197 PolarHBondContact N-O 3.25Å; S194-E197 VanDerWaalsContact O-O 3.09Å; S194-E197 PolarHBondContact OG-N 2.9Å
195D87.2Confident93.8Very high151 Ų15160 Ų6081%0.80731%0.312SS*.SBendtrans-66.2-10172.2-65.5-23.1000113.3
196H90.9Very high93.8Very high144 Ų14455.1 Ų55.167%0.66730%0.296SS*.SBendtrans-116.6-15.3-175.8-56.2-40.8000113.4S194 P249 S250S194-H196 PolarHBondContact O-N 2.81Å; S194-H196 PolarHBondContact OG-N 3.06Å; S194-H196 VanDerWaalsContact OG-N 3.16Å; H196-P249 CarbonylContact O-C 3.58Å; H196-P249 WeakPolarHBondContact O-CA 3.36Å; H196-S250 PolarHBondContact O-N 2.88Å; H196-S250 PolarHBondContact O-OG 2.92Å
197E93Very high93.8Very high92 Ų9253.3 Ų53.343%0.4329%0.285SS..EExtended strand (participates in β ladder)trans-142.4142.9-171.6-66.7179.9174.800112.2V193 S194 V247 V248 S250V193-E197 PolarHBondContact N-O 3.01Å; S194-E197 PolarHBondContact N-O 3.25Å; S194-E197 VanDerWaalsContact O-O 3.09Å; S194-E197 PolarHBondContact OG-N 2.9Å; E197-V247 HydrophobicContact CB-CG1 4.16Å; E197-V247 HydrophobicContact CG-CG1 4.34Å; E197-V248 WeakPolarHBondContact CA-O 3.02Å; E197-S250 PolarHBondContact N-OG 3.38Å
198A92.7Very high93.9Very high0 Ų049.8 Ų49.80%027%0.269CS..EExtended strand (participates in β ladder)trans-131.4152.717100000110.5H190 H191 V248H190-A198 VanDerWaalsContact NE2-CB 3.27Å; H190-A198 WeakPolarHBondContact NE2-CB 3.49Å; H191-A198 CarbonylContact O-C 3.52Å; H191-A198 VanDerWaalsContact O-CA 3.31Å; H191-A198 WeakPolarHBondContact O-CA 3.27Å; A198-V248 HydrophobicContact CB-CG2 4.32Å; A198-V248 PolarHBondContact N-O 2.92Å; A198-V248 WeakPolarHBondContact O-CG2 3.41Å; A198-V248 PolarHBondContact O-N 3.44Å
199T94.3Very high93.9Very high23 Ų2349.2 Ų49.214%0.14127%0.267CS..EExtended strand (participates in β ladder)trans-96.2121.1168.2-54.90000109H191 V193 A245 V246H191-T199 PolarHBondContact N-O 3.1Å; H191-T199 PolarHBondContact O-N 2.71Å; V193-T199 VanDerWaalsContact CG2-OG1 3.3Å; V193-T199 WeakPolarHBondContact CG2-OG1 3.28Å; T199-A245 HydrophobicContact CG2-CB 3.88Å; T199-V246 WeakPolarHBondContact CA-O 3.37Å
200L95.2Very high94Very high0 Ų048.2 Ų48.20%026%0.263CS..EExtended strand (participates in β ladder)trans-94.4128.9165.3-63.4-178.5000108.8H190 W216 A245 V246 V248 E253 W273H190-L200 HydrophobicContact CB-CD2 3.98Å; L200-W216 HydrophobicContact CB-CH2 3.56Å; L200-W216 HydrophobicContact CB-CZ2 3.76Å; L200-W216 HydrophobicContact CD1-CH2 3.94Å; L200-W216 HydrophobicContact CD1-CZ3 4.34Å; L200-W216 HydrophobicContact CG-CH2 4.42Å; L200-A245 CarbonylContact O-C 3.56Å; L200-A245 WeakPolarHBondContact O-CA 3.18Å; L200-V246 HydrophobicContact CB-CG1 4.21Å; L200-V246 PolarHBondContact N-O 3.33Å; L200-V246 PolarHBondContact O-N 3.07Å; L200-V248 HydrophobicContact CD1-CG1 4.01Å; L200-V248 HydrophobicContact CD1-CG2 4.03Å; L200-V248 HydrophobicContact CG-CG1 4.23Å; L200-V248 HydrophobicContact CG-CG2 3.85Å; L200-E253 HydrophobicContact CD1-CB 4.04Å; L200-E253 HydrophobicContact CD1-CG 4.38Å; L200-E253 HydrophobicContact CD2-CG 4.27Å; L200-W273 HydrophobicContact CD1-CB 4.27Å; L200-W273 HydrophobicContact CD2-CB 4Å; L200-W273 HydrophobicContact CD2-CD2 4.34Å; L200-W273 HydrophobicContact CD2-CG 3.82Å
201R95.9Very high94.2Very high47 Ų4752 Ų5218%0.17728%0.28CS..EExtended strand (participates in β ladder)trans-123.1123.3175.6-180-175.2-58.9110.30110.4M188 T189 H191 W203 W243 A245M188-R201 WeakPolarHBondContact CA-O 3.36Å; T189-R201 PolarHBondContact N-O 2.82Å; T189-R201 PolarHBondContact O-N 3Å; T189-R201 WeakPolarHBondContact OG1-CB 3.05Å; T189-R201 PolarHBondContact OG1-O 3.09Å; H191-R201 PolarHBondContact CD2-NH1 2.84Å; H191-R201 VanDerWaalsContact CD2-NH1 3.27Å; H191-R201 PolarHBondContact NE2-NH1 2.61Å; R201-W203 HydrophobicContact CG-CZ2 4.39Å; R201-W243 HydrophobicContact CG-CB 3.99Å; R201-W243 HydrophobicContact CG-CD2 4.06Å; R201-W243 HydrophobicContact CG-CE3 3.78Å; R201-W243 HydrophobicContact CG-CG 4.19Å; R201-A245 HydrophobicContact CB-CB 3.94Å; R201-A245 HydrophobicContact CG-CB 4.12Å
202C96.3Very high94.4Very high0 Ų048.3 Ų48.30%026%0.264CS..EExtended strand (participates in β ladder)trans-96.6121.6177.1-177.20000109.4W216 W243 V244 C258C202-W216 HydrophobicContact CB-CZ2 3.97Å; C202-W243 CarbonylContact O-C 3.55Å; C202-W243 WeakPolarHBondContact O-CA 3.42Å; C202-W243 WeakPolarHBondContact O-CB 3.28Å; C202-V244 HydrophobicContact CB-CG1 4.08Å; C202-V244 PolarHBondContact N-O 3.26Å; C202-V244 PolarHBondContact O-N 3.04Å; C202-C258 HydrophobicContact CB-CB 3.51Å; C202-C258 WeakPolarHBondContact CB-SG 3.23Å; C202-C258 WeakPolarHBondContact SG-CB 3.49Å; C202-C258 CovalentContact SG-SG 2.03Å; C202-C258 PolarHBondContact SG-SG 2.91Å
203W97.2Very high94.7Very high45 Ų4547.4 Ų47.417%0.1725%0.25CS..EExtended strand (participates in β ladder)trans-106.2141.4-178.3-67.788.3000110.7T186 H187 T189 R201 L205 W243T186-W203 WeakPolarHBondContact CA-O 3.5Å; H187-W203 AromaticContact CD2-CD1 3.91Å; H187-W203 WeakPolarHBondContact CE1-CB 3.23Å; H187-W203 AromaticContact CE1-CD1 3.74Å; H187-W203 AromaticContact CE1-CG 3.44Å; H187-W203 VanDerWaalsContact CE1-CG 3.44Å; H187-W203 PolarHBondContact N-O 3.19Å; H187-W203 AromaticContact NE2-CD1 3.38Å; H187-W203 AromaticContact NE2-CG 3.58Å; H187-W203 AromaticContact NE2-NE1 3.91Å; H187-W203 PolarHBondContact O-N 3.21Å; T189-W203 PolarHBondContact OG1-NE1 3.18Å; R201-W203 HydrophobicContact CG-CZ2 4.39Å; W203-L205 HydrophobicContact CE3-CD2 3.97Å; W203-W243 HydrophobicContact CD2-CB 3.9Å; W203-W243 HydrophobicContact CD2-CG 4.34Å; W203-W243 HydrophobicContact CE3-CB 3.82Å; W203-W243 AromaticContact CE3-CD1 3.71Å; W203-W243 HydrophobicContact CE3-CG 4.04Å; W203-W243 HydrophobicContact CG-CB 4.29Å; W203-W243 AromaticContact CH2-CD1 3.6Å; W203-W243 HydrophobicContact CH2-CG 4.21Å; W203-W243 AromaticContact CH2-NE1 3.94Å; W203-W243 HydrophobicContact CZ2-CG 4.5Å; W203-W243 HydrophobicContact CZ3-CB 4.28Å; W203-W243 AromaticContact CZ3-CD1 3.28Å; W203-W243 AromaticContact CZ3-CG 3.99Å; W203-W243 HydrophobicContact CZ3-CG 3.99Å
204A98Very high95.1Very high0 Ų043.4 Ų43.40%023%0.226CC..EExtended strand (participates in β ladder)trans-123.7121.9162.900000107.9P184 T186 F207 I212 L214 Q241 K242P184-A204 HydrophobicContact CB-CB 3.88Å; T186-A204 HydrophobicContact CG2-CB 4.47Å; A204-F207 HydrophobicContact CB-CD1 4.08Å; A204-F207 HydrophobicContact CB-CE1 3.89Å; A204-F207 WeakPolarHBondContact O-CE1 3.49Å; A204-I212 HydrophobicContact CB-CD1 3.72Å; A204-L214 HydrophobicContact CB-CD1 4.11Å; A204-L214 HydrophobicContact CB-CD2 4.1Å; A204-Q241 CarbonylContact O-C 3.59Å; A204-Q241 VanDerWaalsContact O-CA 3.29Å; A204-Q241 WeakPolarHBondContact O-CA 3.36Å; A204-K242 PolarHBondContact N-O 2.04Å; A204-K242 PolarHBondContact O-N 3.27Å; A204-K242 VanDerWaalsContact O-O 3.08Å
205L97.9Very high95.3Very high49 Ų4943 Ų4326%0.25722%0.221SC..EExtended strand (participates in β ladder)trans-126.7155.8-176-58.7179.2000111.2K185 W203 F207 Q241K185-L205 HydrophobicContact CB-CB 4.47Å; K185-L205 PolarHBondContact N-O 3.49Å; K185-L205 PolarHBondContact O-N 2.9Å; W203-L205 HydrophobicContact CE3-CD2 3.97Å; L205-F207 VanDerWaalsContact C-N 3.31Å; L205-F207 PolarHBondContact O-N 2.81Å; L205-Q241 HydrophobicContact CD2-CB 3.57Å
206S97.3Very high95.7Very high41 Ų4136 Ų3629%0.28718%0.183SC..EExtended strand (participates in β ladder)trans54.142.6171.1-55.30000113.9F240S206-F240 PolarHBondContact N-O 2.95Å
207F97.6Very high95.9Very high0 Ų031.1 Ų31.10%016%0.161CC..EExtended strand (participates in β ladder)trans-108.2158.9177.161.6-90.3000112.4D182 P184 A204 L205 P209 I212 T232 T239 F240 K242 H262D182-F207 VanDerWaalsContact O-CA 3.32Å; D182-F207 WeakPolarHBondContact O-CA 3.48Å; D182-F207 WeakPolarHBondContact O-CB 3.12Å; P184-F207 HydrophobicContact CB-CB 3.84Å; P184-F207 HydrophobicContact CB-CD1 4.02Å; P184-F207 HydrophobicContact CB-CG 4.18Å; A204-F207 HydrophobicContact CB-CD1 4.08Å; A204-F207 HydrophobicContact CB-CE1 3.89Å; A204-F207 WeakPolarHBondContact O-CE1 3.49Å; L205-F207 VanDerWaalsContact C-N 3.31Å; L205-F207 PolarHBondContact O-N 2.81Å; F207-P209 VanDerWaalsContact CD2-O 3.26Å; F207-P209 WeakPolarHBondContact CD2-O 3.38Å; F207-I212 HydrophobicContact CD1-CD1 3.97Å; F207-I212 HydrophobicContact CD2-CB 4.3Å; F207-I212 HydrophobicContact CD2-CD1 3.99Å; F207-I212 HydrophobicContact CE1-CD1 3.88Å; F207-I212 HydrophobicContact CE1-CG2 4.41Å; F207-I212 HydrophobicContact CE2-CB 3.73Å; F207-I212 HydrophobicContact CE2-CD1 3.92Å; F207-I212 HydrophobicContact CE2-CG1 4.41Å; F207-I212 HydrophobicContact CE2-CG2 3.58Å; F207-I212 HydrophobicContact CG-CD1 4.04Å; F207-I212 HydrophobicContact CZ-CB 4.09Å; F207-I212 HydrophobicContact CZ-CD1 3.89Å; F207-I212 HydrophobicContact CZ-CG2 3.5Å; F207-T232 HydrophobicContact CE2-CG2 4.11Å; F207-T232 HydrophobicContact CZ-CG2 3.84Å; F207-T239 WeakPolarHBondContact O-CA 3.39Å; F207-F240 VanDerWaalsContact CD1-O 3.29Å; F207-F240 WeakPolarHBondContact CD1-O 3.45Å; F207-F240 HydrophobicContact CD2-CB 3.96Å; F207-F240 HydrophobicContact CE1-CB 4.18Å; F207-F240 WeakPolarHBondContact CE1-O 3.46Å; F207-F240 HydrophobicContact CE2-CB 3.49Å; F207-F240 VanDerWaalsContact CE2-CB 3.49Å; F207-F240 HydrophobicContact CE2-CG 4.46Å; F207-F240 HydrophobicContact CG-CB 4.45Å; F207-F240 HydrophobicContact CZ-CB 3.6Å; F207-F240 PolarHBondContact N-O 2.9Å; F207-F240 PolarHBondContact O-N 3.28Å; F207-K242 HydrophobicContact CE1-CB 4.33Å; F207-K242 HydrophobicContact CZ-CB 4.12Å; F207-H262 AromaticContact CD2-CD2 3.81Å; F207-H262 AromaticContact CD2-NE2 3.59Å
208Y96.5Very high96Very high4 Ų430.6 Ų30.62%0.01616%0.155CC..BIsolated β-bridgetrans-153135.8174.2-178.8-84.8000109.2T30 R180 T181 D182 G238 F240 H262T30-Y208 WeakPolarHBondContact OG1-CE2 3.34Å; T30-Y208 PolarHBondContact OG1-OH 3.15Å; R180-Y208 HydrophobicContact CG-CD1 3.77Å; R180-Y208 HydrophobicContact CG-CE1 4.15Å; R180-Y208 HydrophobicContact CG-CG 4.49Å; R180-Y208 WeakPolarHBondContact O-CD1 3.22Å; T181-Y208 WeakPolarHBondContact CA-O 3.33Å; T181-Y208 WeakPolarHBondContact CG2-O 3.35Å; D182-Y208 PolarHBondContact N-O 2.88Å; D182-Y208 PolarHBondContact O-N 3.25Å; Y208-G238 WeakPolarHBondContact CD2-O 3.03Å; Y208-F240 HydrophobicContact CD2-CD2 4.38Å; Y208-F240 AromaticContact CD2-CE2 3.92Å; Y208-F240 HydrophobicContact CD2-CE2 3.92Å; Y208-F240 HydrophobicContact CE2-CE2 4.34Å; Y208-H262 PolarHBondContact O-CE1 3.33Å
209P95.8Very high96Very high22 Ų2235.3 Ų35.314%0.14318%0.18CC..SBendcis-74.8-176532.2-37.5000114.2F207 E211 H262F207-P209 VanDerWaalsContact CD2-O 3.26Å; F207-P209 WeakPolarHBondContact CD2-O 3.38Å; P209-E211 VanDerWaalsContact C-N 3.29Å; P209-E211 PolarHBondContact O-N 2.83Å; P209-H262 PolarHBondContact O-NE2 2.99Å
210A96.5Very high95.7Very high14 Ų1436.5 Ų36.512%0.11620%0.197CC..SBendtrans-71.2-24.2-177.600000113.6D29 I212 T232 F240D29-A210 HydrophobicContact CB-CB 4.12Å; D29-A210 VanDerWaalsContact CG-CB 3.45Å; D29-A210 VanDerWaalsContact OD2-CB 3.31Å; D29-A210 WeakPolarHBondContact OD2-CB 3.43Å; D29-A210 PolarHBondContact OD2-N 3.01Å; A210-I212 PolarHBondContact O-N 2.8Å; A210-I212 VanDerWaalsContact O-N 3.16Å; A210-T232 HydrophobicContact CB-CG2 4.27Å; A210-T232 WeakPolarHBondContact O-CG2 3.23Å; A210-F240 HydrophobicContact CB-CD1 3.7Å; A210-F240 HydrophobicContact CB-CD2 3.76Å; A210-F240 HydrophobicContact CB-CE1 3.67Å; A210-F240 HydrophobicContact CB-CE2 3.74Å; A210-F240 HydrophobicContact CB-CG 3.77Å; A210-F240 HydrophobicContact CB-CZ 3.72Å
211E96.1Very high95.6Very high147 Ų14742.8 Ų42.869%0.68723%0.227SC*.  trans-66.7112.2-178.9-171.959-145.800110.7P209 H262P209-E211 VanDerWaalsContact C-N 3.29Å; P209-E211 PolarHBondContact O-N 2.83Å; E211-H262 PolarHBondContact O-CD2 2.98Å; E211-H262 VanDerWaalsContact O-CD2 3.29Å
212I96.8Very high95.4Very high11 Ų1145.3 Ų45.36%0.05624%0.244CC..  trans-149141.8-179.2-163.4170.9000109.5P184 A204 F207 A210 L214 K242 V260 Q261 H262P184-I212 HydrophobicContact CB-CD1 4.09Å; P184-I212 HydrophobicContact CG-CD1 4.13Å; A204-I212 HydrophobicContact CB-CD1 3.72Å; F207-I212 HydrophobicContact CD1-CD1 3.97Å; F207-I212 HydrophobicContact CD2-CB 4.3Å; F207-I212 HydrophobicContact CD2-CD1 3.99Å; F207-I212 HydrophobicContact CE1-CD1 3.88Å; F207-I212 HydrophobicContact CE1-CG2 4.41Å; F207-I212 HydrophobicContact CE2-CB 3.73Å; F207-I212 HydrophobicContact CE2-CD1 3.92Å; F207-I212 HydrophobicContact CE2-CG1 4.41Å; F207-I212 HydrophobicContact CE2-CG2 3.58Å; F207-I212 HydrophobicContact CG-CD1 4.04Å; F207-I212 HydrophobicContact CZ-CB 4.09Å; F207-I212 HydrophobicContact CZ-CD1 3.89Å; F207-I212 HydrophobicContact CZ-CG2 3.5Å; A210-I212 PolarHBondContact O-N 2.8Å; A210-I212 VanDerWaalsContact O-N 3.16Å; I212-L214 HydrophobicContact CB-CD1 4.41Å; I212-L214 HydrophobicContact CD1-CD1 3.62Å; I212-L214 HydrophobicContact CG1-CD1 3.58Å; I212-L214 HydrophobicContact CG2-CD1 4.06Å; I212-K242 HydrophobicContact CG2-CB 4.21Å; I212-K242 HydrophobicContact CG2-CD 3.54Å; I212-V260 HydrophobicContact CD1-CG1 4Å; I212-V260 HydrophobicContact CG1-CG1 4.35Å; I212-Q261 VanDerWaalsContact CG1-O 3.3Å; I212-Q261 WeakPolarHBondContact CG1-O 3.36Å; I212-H262 HydrophobicContact CD1-CB 4.23Å; I212-H262 HydrophobicContact CG1-CB 4.01Å
213T96.3Very high94.9Very high58 Ų5846.3 Ų46.336%0.35625%0.248SC..EExtended strand (participates in β ladder)trans-113.8122.2174.5-62.30000110.2T215 V260 Q261T213-T215 HydrophobicContact CG2-CG2 4.08Å; T213-V260 WeakPolarHBondContact O-CA 3.48Å; T213-Q261 PolarHBondContact N-O 3.02Å; T213-Q261 PolarHBondContact O-N 3.19Å
214L95.7Very high93.8Very high10 Ų1049.5 Ų49.55%0.05227%0.273CS..EExtended strand (participates in β ladder)trans-118.4124.9174.6-88.563.9000108.4A204 I212 K242 V244 H259 V260A204-L214 HydrophobicContact CB-CD1 4.11Å; A204-L214 HydrophobicContact CB-CD2 4.1Å; I212-L214 HydrophobicContact CB-CD1 4.41Å; I212-L214 HydrophobicContact CD1-CD1 3.62Å; I212-L214 HydrophobicContact CG1-CD1 3.58Å; I212-L214 HydrophobicContact CG2-CD1 4.06Å; L214-K242 HydrophobicContact CD1-CD 4.26Å; L214-K242 HydrophobicContact CD2-CB 4.35Å; L214-K242 HydrophobicContact CD2-CD 4.48Å; L214-K242 HydrophobicContact CD2-CG 4.37Å; L214-V244 HydrophobicContact CB-CB 4.29Å; L214-V244 HydrophobicContact CB-CG1 3.78Å; L214-V244 HydrophobicContact CD2-CG1 4.23Å; L214-V244 HydrophobicContact CG-CG1 4.45Å; L214-H259 WeakPolarHBondContact CA-O 3.49Å; L214-V260 HydrophobicContact CD1-CG1 3.97Å; L214-V260 HydrophobicContact CG-CG2 4.31Å
215T94.9Very high92.4Very high46 Ų4658.2 Ų58.228%0.28231%0.313SS..EExtended strand (participates in β ladder)trans-136.8152.1-18049.50000111.1T213 C258 H259T213-T215 HydrophobicContact CG2-CG2 4.08Å; T215-C258 CarbonylContact O-C 3.53Å; T215-C258 WeakPolarHBondContact O-CA 3.32Å; T215-H259 PolarHBondContact N-O 3.25Å; T215-H259 PolarHBondContact O-N 2.82Å; T215-H259 WeakPolarHBondContact OG1-CB 3.49Å
216W95.3Very high91Very high2 Ų260.9 Ų60.91%0.00833%0.328CS..EExtended strand (participates in β ladder)trans-105139.3170.9-82.4106.7000110.2M188 L200 C202 Q223 T227 V244 V246 T257 C258M188-W216 HydrophobicContact CE-CH2 3.21Å; M188-W216 HydrophobicContact CE-CZ2 4.08Å; M188-W216 HydrophobicContact CE-CZ3 3.88Å; L200-W216 HydrophobicContact CB-CH2 3.56Å; L200-W216 HydrophobicContact CB-CZ2 3.76Å; L200-W216 HydrophobicContact CD1-CH2 3.94Å; L200-W216 HydrophobicContact CD1-CZ3 4.34Å; L200-W216 HydrophobicContact CG-CH2 4.42Å; C202-W216 HydrophobicContact CB-CZ2 3.97Å; W216-Q223 HydrophobicContact CB-CB 4.14Å; W216-Q223 PolarHBondContact O-N 3.05Å; W216-T227 HydrophobicContact CB-CG2 3.88Å; W216-T227 HydrophobicContact CG-CG2 4.03Å; W216-V244 PolarHBondContact NE1-O 3.12Å; W216-V246 HydrophobicContact CD2-CB 4.24Å; W216-V246 HydrophobicContact CD2-CG1 3.54Å; W216-V246 VanDerWaalsContact CE2-CG1 3.46Å; W216-V246 HydrophobicContact CE3-CG1 3.95Å; W216-V246 HydrophobicContact CG-CB 4.06Å; W216-V246 HydrophobicContact CG-CG1 3.89Å; W216-V246 HydrophobicContact CH2-CG1 4.07Å; W216-V246 HydrophobicContact CZ2-CG1 3.76Å; W216-V246 HydrophobicContact CZ3-CG1 4.21Å; W216-T257 WeakPolarHBondContact CA-O 3.38Å; W216-T257 VanDerWaalsContact CE3-C 3.4Å; W216-T257 VanDerWaalsContact CE3-O 3.27Å; W216-C258 HydrophobicContact CD2-CB 4.3Å; W216-C258 HydrophobicContact CE3-CB 4.16Å; W216-C258 HydrophobicContact CH2-CB 4.27Å; W216-C258 HydrophobicContact CZ2-CB 4.33Å; W216-C258 HydrophobicContact CZ3-CB 4.14Å
217Q95.1Very high90.1Very high42 Ų4260.5 Ų60.520%0.19632%0.324CS..EExtended strand (participates in β ladder)trans-122.9146.6168.9-68.9-173.1-8.800110.1E221 D222 Y256 T257 H259Q217-E221 CarbonylContact C-O 3.5Å; Q217-E221 VanDerWaalsContact CA-O 3.27Å; Q217-E221 WeakPolarHBondContact CA-O 3.41Å; Q217-D222 VanDerWaalsContact CG-OD1 3.25Å; Q217-D222 WeakPolarHBondContact CG-OD1 3.35Å; Q217-D222 PolarHBondContact NE2-OD1 3.16Å; Q217-Y256 CarbonylContact O-C 3.54Å; Q217-Y256 VanDerWaalsContact O-CA 3.28Å; Q217-Y256 WeakPolarHBondContact O-CA 2.83Å; Q217-T257 PolarHBondContact N-O 2.89Å; Q217-T257 PolarHBondContact O-N 3.25Å; Q217-H259 PolarHBondContact OE1-CE1 3.46Å; Q217-H259 PolarHBondContact OE1-NE2 3.37Å; Q217-H259 VanDerWaalsContact OE1-NE2 3.13Å
218R94.6Very high89.6Confident81 Ų8166 Ų6631%0.30635%0.35SS..EExtended strand (participates in β ladder)trans-117.9116.7168.4-177.4-179.769.5-162.6-3108.3G220 E221 Q223 R255 Y256R218-G220 PolarHBondContact O-N 2.89Å; R218-E221 PolarHBondContact N-O 3.16Å; R218-E221 PolarHBondContact O-N 2.81Å; R218-Q223 HydrophobicContact CB-CG 4Å; R218-R255 WeakPolarHBondContact CA-O 3.47Å; R218-R255 HydrophobicContact CG-CB 4.37Å; R218-Y256 HydrophobicContact CB-CD1 4.06Å; R218-Y256 HydrophobicContact CB-CE1 3.89Å; R218-Y256 WeakPolarHBondContact CD-OH 3.29Å; R218-Y256 HydrophobicContact CG-CD1 4.42Å; R218-Y256 HydrophobicContact CG-CE1 4.06Å; R218-Y256 HydrophobicContact CG-CE2 4.25Å
219D92.6Very high89Confident99 Ų9970.5 Ų70.553%0.52937%0.374SS..THydrogen-bonded Turntrans49.730.2-175.2-52.4-50.6000114.2R255D219-R255 PolarHBondContact N-O 3.16Å; D219-R255 IonicContact OD1-NE 3.42Å; D219-R255 PolarHBondContact OD1-NE 3.44Å; D219-R255 IonicContact OD2-CZ 3.35Å; D219-R255 IonicContact OD2-NE 2.74Å; D219-R255 PolarHBondContact OD2-NE 3.11Å; D219-R255 IonicContact OD2-NH2 2.62Å; D219-R255 PolarHBondContact OD2-NH2 3.36Å
220G89.4Confident88.7Confident49 Ų4971.2 Ų71.251%0.50538%0.377SS..THydrogen-bonded Turntrans92.4-2.1-178.300000115.7R218R218-G220 PolarHBondContact O-N 2.89Å
221E91.9Very high88.5Confident132 Ų13278.8 Ų78.862%0.61741%0.41SS*.EExtended strand (participates in β ladder)trans-98.5127.4175.9-64.2-175.8167.700111.9Q217 R218 Q223Q217-E221 CarbonylContact C-O 3.5Å; Q217-E221 VanDerWaalsContact CA-O 3.27Å; Q217-E221 WeakPolarHBondContact CA-O 3.41Å; R218-E221 PolarHBondContact N-O 3.16Å; R218-E221 PolarHBondContact O-N 2.81Å; E221-Q223 PolarHBondContact O-NE2 3.35Å
222D91.1Very high88.5Confident100 Ų10074 Ų7454%0.53539%0.391SS..EExtended strand (participates in β ladder)trans-60.5134.1-179.4-69.2-23.1000112.5Q217Q217-D222 VanDerWaalsContact CG-OD1 3.25Å; Q217-D222 WeakPolarHBondContact CG-OD1 3.35Å; Q217-D222 PolarHBondContact NE2-OD1 3.16Å
223Q85.8Confident88.5Confident21 Ų2178.1 Ų78.110%0.09841%0.406CS..  trans-108.388.9177.6-57.2-57.8-61.600109.6W216 R218 E221 T227 Y256W216-Q223 HydrophobicContact CB-CB 4.14Å; W216-Q223 PolarHBondContact O-N 3.05Å; R218-Q223 HydrophobicContact CB-CG 4Å; E221-Q223 PolarHBondContact O-NE2 3.35Å; Q223-T227 HydrophobicContact CB-CG2 4.38Å; Q223-T227 WeakPolarHBondContact O-CG2 3.3Å; Q223-T227 PolarHBondContact O-OG1 2.86Å; Q223-Y256 HydrophobicContact CG-CE1 4.45Å
224T75.4Confident88.5Confident112 Ų11279.8 Ų79.869%0.68742%0.418SS*.  trans-97.8-25.3-176.550.40000114.4T227T224-T227 PolarHBondContact O-OG1 2.95Å
225Q67.8Low88.5Confident182 Ų18281.5 Ų81.585%0.8543%0.434SS*.SBendtrans-90.1-30-177.7-68.4-175.58.700113.5T227Q225-T227 VanDerWaalsContact C-N 3.32Å
226D69.1Low88.4Confident105 Ų10583 Ų8356%0.56146%0.459SS*.SBendtrans-96.216.2-176.2-60.1-38.1000112.8
227T78.9Confident88.2Confident34 Ų3488 Ų8821%0.20949%0.485CS..EExtended strand (participates in β ladder)trans-109.2126.4-176.344.90000113.2W216 Q223 T224 Q225 L229 V244 A245 V246W216-T227 HydrophobicContact CB-CG2 3.88Å; W216-T227 HydrophobicContact CG-CG2 4.03Å; Q223-T227 HydrophobicContact CB-CG2 4.38Å; Q223-T227 WeakPolarHBondContact O-CG2 3.3Å; Q223-T227 PolarHBondContact O-OG1 2.86Å; T224-T227 PolarHBondContact O-OG1 2.95Å; Q225-T227 VanDerWaalsContact C-N 3.32Å; T227-L229 PolarHBondContact O-N 3.02Å; T227-V244 HydrophobicContact CG2-CG2 4.17Å; T227-A245 CarbonylContact C-O 3.56Å; T227-A245 WeakPolarHBondContact CA-O 3.41Å; T227-V246 HydrophobicContact CG2-CB 4.09Å; T227-V246 HydrophobicContact CG2-CG2 4.29Å
228E86.3Confident88Confident116 Ų11687.9 Ų87.954%0.54250%0.496SS..EExtended strand (participates in β ladder)trans-83.6104.5166.2-171.8-174.6-174.600108W243 V244 A245E228-W243 HydrophobicContact CB-CZ3 4.17Å; E228-W243 VanDerWaalsContact CD-CH2 3.41Å; E228-W243 HydrophobicContact CG-CH2 3.86Å; E228-W243 HydrophobicContact CG-CZ3 3.86Å; E228-W243 WeakPolarHBondContact O-CZ3 3.14Å; E228-W243 WeakPolarHBondContact OE1-CH2 3.47Å; E228-V244 CarbonylContact O-C 3.51Å; E228-V244 WeakPolarHBondContact O-CA 3.42Å; E228-A245 HydrophobicContact CB-CB 4.31Å; E228-A245 PolarHBondContact N-O 2.82Å; E228-A245 PolarHBondContact O-N 3.08Å
229L84.1Confident88.1Confident98 Ų9884.7 Ų84.751%0.51349%0.485SS..EExtended strand (participates in β ladder)trans-104.4123.5177.7-176.269.4000109.8T227 V244T227-L229 PolarHBondContact O-N 3.02Å; L229-V244 HydrophobicContact CB-CG2 4.39Å; L229-V244 HydrophobicContact CD1-CB 3.86Å; L229-V244 HydrophobicContact CD1-CG2 3.88Å
230V90Very high88.4Confident36 Ų3681 Ų8122%0.21847%0.465CS..PPolyproline II helixtrans-91.6147168-68.60000111.6K242 W243V230-K242 WeakPolarHBondContact O-CE 3.14Å; V230-K242 WeakPolarHBondContact O-CG 3.45Å; V230-K242 PolarHBondContact O-NZ 3.43Å; V230-W243 HydrophobicContact CB-CZ2 4.34Å; V230-W243 HydrophobicContact CG1-CD2 4.17Å; V230-W243 VanDerWaalsContact CG1-CE2 3.5Å; V230-W243 HydrophobicContact CG1-CE3 4.49Å; V230-W243 HydrophobicContact CG1-CH2 3.66Å; V230-W243 HydrophobicContact CG1-CZ2 3.23Å; V230-W243 HydrophobicContact CG1-CZ3 4.26Å; V230-W243 HydrophobicContact CG2-CB 4.47Å; V230-W243 HydrophobicContact CG2-CD2 3.59Å; V230-W243 HydrophobicContact CG2-CE3 4.28Å; V230-W243 HydrophobicContact CG2-CG 3.64Å; V230-W243 HydrophobicContact CG2-CZ2 4.19Å; V230-W243 VanDerWaalsContact CG2-O 3.24Å; V230-W243 WeakPolarHBondContact CG2-O 3.35Å; V230-W243 PolarHBondContact N-O 3.43Å
231E92.4Very high88.7Confident173 Ų17380.8 Ų80.881%0.80845%0.45SS*.PPolyproline II helixtrans-58151.3167.6-67.5-174.3167.100110.9R233E231-R233 PolarHBondContact O-N 3.2Å
232T95.9Very high89Confident47 Ų4775.5 Ų75.529%0.28843%0.425SS..PPolyproline II helixtrans-66.3129.6175.5-56.70000108.8F207 A210 F240 K242F207-T232 HydrophobicContact CE2-CG2 4.11Å; F207-T232 HydrophobicContact CZ-CG2 3.84Å; A210-T232 HydrophobicContact CB-CG2 4.27Å; A210-T232 WeakPolarHBondContact O-CG2 3.23Å; T232-F240 HydrophobicContact CG2-CB 3.76Å; T232-F240 HydrophobicContact CG2-CD1 3.92Å; T232-F240 HydrophobicContact CG2-CG 4.11Å; T232-K242 WeakPolarHBondContact OG1-CD 3.35Å; T232-K242 PolarHBondContact OG1-NZ 2.93Å
233R95.8Very high89.3Confident97 Ų9771.9 Ų71.937%0.36640%0.404SS..EExtended strand (participates in β ladder)trans-123.1145.1-175.770.8-165.5179.9-179.64.5111.3E231 F240 Q241E231-R233 PolarHBondContact O-N 3.2Å; R233-F240 WeakPolarHBondContact O-CA 3.03Å; R233-Q241 HydrophobicContact CG-CG 3.57Å; R233-Q241 PolarHBondContact N-O 3.47Å; R233-Q241 VanDerWaalsContact NE-OE1 3.16Å; R233-Q241 WeakPolarHBondContact O-CG 3.33Å; R233-Q241 PolarHBondContact O-N 2.72Å
234P96.3Very high89.7Confident93 Ų9371 Ų7160%0.60440%0.4SS*.EExtended strand (participates in β ladder)trans-68145.5176.528.3-34.2000111.1F240P234-F240 HydrophobicContact CB-CE1 4.34Å
235A95.6Very high90.7Very high47 Ų4765.7 Ų65.739%0.38837%0.368SS..  trans-89-17.3173.500000113T239 Q241A235-T239 WeakPolarHBondContact CB-O 3.48Å; A235-T239 PolarHBondContact N-O 3.42Å; A235-Q241 HydrophobicContact CB-CG 4.46Å
236G92.6Very high92Very high78 Ų7857.2 Ų57.280%0.80433%0.328SS*.SBendtrans96.9-8.7179.100000114.9
237D91.9Very high93.1Very high106 Ų10655.5 Ų55.557%0.56732%0.322SS*.SBendtrans-104.713.4176.762.5-1.7000113T239D237-T239 WeakPolarHBondContact OD1-CB 3.38Å; D237-T239 PolarHBondContact OD1-N 2.86Å; D237-T239 PolarHBondContact OD1-OG1 2.86Å
238G91.3Very high93.8Very high40 Ų4054 Ų5441%0.41231%0.312SS..SBendtrans84.36.4-173.800000114.5R180 Y208R180-G238 PolarHBondContact NH2-O 2.69Å; Y208-G238 WeakPolarHBondContact CD2-O 3.03Å
239T96.3Very high94.2Very high14 Ų1450.7 Ų50.79%0.08630%0.301CS..  trans-109.2173.2171.273.40000112.2F207 A235 D237F207-T239 WeakPolarHBondContact O-CA 3.39Å; A235-T239 WeakPolarHBondContact CB-O 3.48Å; A235-T239 PolarHBondContact N-O 3.42Å; D237-T239 WeakPolarHBondContact OD1-CB 3.38Å; D237-T239 PolarHBondContact OD1-N 2.86Å; D237-T239 PolarHBondContact OD1-OG1 2.86Å
240F97.5Very high94.4Very high22 Ų2248.7 Ų48.710%0.09630%0.295CS..EExtended strand (participates in β ladder)trans-120.1162.5-177.7-62.8-84.8000112.5D29 S206 F207 Y208 A210 T232 R233 P234D29-F240 HydrophobicContact CB-CE1 4.48Å; D29-F240 HydrophobicContact CB-CE2 3.83Å; D29-F240 HydrophobicContact CB-CZ 3.49Å; D29-F240 VanDerWaalsContact CB-CZ 3.49Å; S206-F240 PolarHBondContact N-O 2.95Å; F207-F240 VanDerWaalsContact CD1-O 3.29Å; F207-F240 WeakPolarHBondContact CD1-O 3.45Å; F207-F240 HydrophobicContact CD2-CB 3.96Å; F207-F240 HydrophobicContact CE1-CB 4.18Å; F207-F240 WeakPolarHBondContact CE1-O 3.46Å; F207-F240 HydrophobicContact CE2-CB 3.49Å; F207-F240 VanDerWaalsContact CE2-CB 3.49Å; F207-F240 HydrophobicContact CE2-CG 4.46Å; F207-F240 HydrophobicContact CG-CB 4.45Å; F207-F240 HydrophobicContact CZ-CB 3.6Å; F207-F240 PolarHBondContact N-O 2.9Å; F207-F240 PolarHBondContact O-N 3.28Å; Y208-F240 HydrophobicContact CD2-CD2 4.38Å; Y208-F240 AromaticContact CD2-CE2 3.92Å; Y208-F240 HydrophobicContact CD2-CE2 3.92Å; Y208-F240 HydrophobicContact CE2-CE2 4.34Å; A210-F240 HydrophobicContact CB-CD1 3.7Å; A210-F240 HydrophobicContact CB-CD2 3.76Å; A210-F240 HydrophobicContact CB-CE1 3.67Å; A210-F240 HydrophobicContact CB-CE2 3.74Å; A210-F240 HydrophobicContact CB-CG 3.77Å; A210-F240 HydrophobicContact CB-CZ 3.72Å; T232-F240 HydrophobicContact CG2-CB 3.76Å; T232-F240 HydrophobicContact CG2-CD1 3.92Å; T232-F240 HydrophobicContact CG2-CG 4.11Å; R233-F240 WeakPolarHBondContact O-CA 3.03Å; P234-F240 HydrophobicContact CB-CE1 4.34Å
241Q97.5Very high94.3Very high43 Ų4350.1 Ų50.120%0.20132%0.318CS..EExtended strand (participates in β ladder)trans-141.4145.5173.840.8165.8-18.300109.9A204 L205 R233 A235A204-Q241 CarbonylContact O-C 3.59Å; A204-Q241 VanDerWaalsContact O-CA 3.29Å; A204-Q241 WeakPolarHBondContact O-CA 3.36Å; L205-Q241 HydrophobicContact CD2-CB 3.57Å; R233-Q241 HydrophobicContact CG-CG 3.57Å; R233-Q241 PolarHBondContact N-O 3.47Å; R233-Q241 VanDerWaalsContact NE-OE1 3.16Å; R233-Q241 WeakPolarHBondContact O-CG 3.33Å; R233-Q241 PolarHBondContact O-N 2.72Å; A235-Q241 HydrophobicContact CB-CG 4.46Å
242K97.6Very high94.3Very high21 Ų2145 Ų459%0.09129%0.294CS..EExtended strand (participates in β ladder)trans-149.9152.6176.9-164.8-176.5-174.971.30108.8A204 F207 I212 L214 V230 T232A204-K242 PolarHBondContact N-O 2.04Å; A204-K242 PolarHBondContact O-N 3.27Å; A204-K242 VanDerWaalsContact O-O 3.08Å; F207-K242 HydrophobicContact CE1-CB 4.33Å; F207-K242 HydrophobicContact CZ-CB 4.12Å; I212-K242 HydrophobicContact CG2-CB 4.21Å; I212-K242 HydrophobicContact CG2-CD 3.54Å; L214-K242 HydrophobicContact CD1-CD 4.26Å; L214-K242 HydrophobicContact CD2-CB 4.35Å; L214-K242 HydrophobicContact CD2-CD 4.48Å; L214-K242 HydrophobicContact CD2-CG 4.37Å; V230-K242 WeakPolarHBondContact O-CE 3.14Å; V230-K242 WeakPolarHBondContact O-CG 3.45Å; V230-K242 PolarHBondContact O-NZ 3.43Å; T232-K242 WeakPolarHBondContact OG1-CD 3.35Å; T232-K242 PolarHBondContact OG1-NZ 2.93Å
243W96.4Very high94.2Very high24 Ų2443.7 Ų43.79%0.09128%0.284CS..EExtended strand (participates in β ladder)trans-142.6159168.158.2-96.5000110.9R201 C202 W203 E228 V230 A245R201-W243 HydrophobicContact CG-CB 3.99Å; R201-W243 HydrophobicContact CG-CD2 4.06Å; R201-W243 HydrophobicContact CG-CE3 3.78Å; R201-W243 HydrophobicContact CG-CG 4.19Å; C202-W243 CarbonylContact O-C 3.55Å; C202-W243 WeakPolarHBondContact O-CA 3.42Å; C202-W243 WeakPolarHBondContact O-CB 3.28Å; W203-W243 HydrophobicContact CD2-CB 3.9Å; W203-W243 HydrophobicContact CD2-CG 4.34Å; W203-W243 HydrophobicContact CE3-CB 3.82Å; W203-W243 AromaticContact CE3-CD1 3.71Å; W203-W243 HydrophobicContact CE3-CG 4.04Å; W203-W243 HydrophobicContact CG-CB 4.29Å; W203-W243 AromaticContact CH2-CD1 3.6Å; W203-W243 HydrophobicContact CH2-CG 4.21Å; W203-W243 AromaticContact CH2-NE1 3.94Å; W203-W243 HydrophobicContact CZ2-CG 4.5Å; W203-W243 HydrophobicContact CZ3-CB 4.28Å; W203-W243 AromaticContact CZ3-CD1 3.28Å; W203-W243 AromaticContact CZ3-CG 3.99Å; W203-W243 HydrophobicContact CZ3-CG 3.99Å; E228-W243 HydrophobicContact CB-CZ3 4.17Å; E228-W243 VanDerWaalsContact CD-CH2 3.41Å; E228-W243 HydrophobicContact CG-CH2 3.86Å; E228-W243 HydrophobicContact CG-CZ3 3.86Å; E228-W243 WeakPolarHBondContact O-CZ3 3.14Å; E228-W243 WeakPolarHBondContact OE1-CH2 3.47Å; V230-W243 HydrophobicContact CB-CZ2 4.34Å; V230-W243 HydrophobicContact CG1-CD2 4.17Å; V230-W243 VanDerWaalsContact CG1-CE2 3.5Å; V230-W243 HydrophobicContact CG1-CE3 4.49Å; V230-W243 HydrophobicContact CG1-CH2 3.66Å; V230-W243 HydrophobicContact CG1-CZ2 3.23Å; V230-W243 HydrophobicContact CG1-CZ3 4.26Å; V230-W243 HydrophobicContact CG2-CB 4.47Å; V230-W243 HydrophobicContact CG2-CD2 3.59Å; V230-W243 HydrophobicContact CG2-CE3 4.28Å; V230-W243 HydrophobicContact CG2-CG 3.64Å; V230-W243 HydrophobicContact CG2-CZ2 4.19Å; V230-W243 VanDerWaalsContact CG2-O 3.24Å; V230-W243 WeakPolarHBondContact CG2-O 3.35Å; V230-W243 PolarHBondContact N-O 3.43Å; W243-A245 HydrophobicContact CE3-CB 4.04Å; W243-A245 HydrophobicContact CZ3-CB 3.74Å
244V95.8Very high94Very high2 Ų243.7 Ų43.71%0.01229%0.288CS..EExtended strand (participates in β ladder)trans-133.8134.6170.664.20000108.5C202 L214 W216 T227 E228 L229C202-V244 HydrophobicContact CB-CG1 4.08Å; C202-V244 PolarHBondContact N-O 3.26Å; C202-V244 PolarHBondContact O-N 3.04Å; L214-V244 HydrophobicContact CB-CB 4.29Å; L214-V244 HydrophobicContact CB-CG1 3.78Å; L214-V244 HydrophobicContact CD2-CG1 4.23Å; L214-V244 HydrophobicContact CG-CG1 4.45Å; W216-V244 PolarHBondContact NE1-O 3.12Å; T227-V244 HydrophobicContact CG2-CG2 4.17Å; E228-V244 CarbonylContact O-C 3.51Å; E228-V244 WeakPolarHBondContact O-CA 3.42Å; L229-V244 HydrophobicContact CB-CG2 4.39Å; L229-V244 HydrophobicContact CD1-CB 3.86Å; L229-V244 HydrophobicContact CD1-CG2 3.88Å
245A95.1Very high93.9Very high2 Ų244.4 Ų44.42%0.01728%0.279CS..EExtended strand (participates in β ladder)trans-119.1151.9179.300000111.5T199 L200 R201 T227 E228 W243T199-A245 HydrophobicContact CG2-CB 3.88Å; L200-A245 CarbonylContact O-C 3.56Å; L200-A245 WeakPolarHBondContact O-CA 3.18Å; R201-A245 HydrophobicContact CB-CB 3.94Å; R201-A245 HydrophobicContact CG-CB 4.12Å; T227-A245 CarbonylContact C-O 3.56Å; T227-A245 WeakPolarHBondContact CA-O 3.41Å; E228-A245 HydrophobicContact CB-CB 4.31Å; E228-A245 PolarHBondContact N-O 2.82Å; E228-A245 PolarHBondContact O-N 3.08Å; W243-A245 HydrophobicContact CE3-CB 4.04Å; W243-A245 HydrophobicContact CZ3-CB 3.74Å
246V94.9Very high93.8Very high3 Ų342.5 Ų42.52%0.01826%0.262CS..EExtended strand (participates in β ladder)trans-138.5142175.764.30000108.8T199 L200 W216 T227 V248 Y256T199-V246 WeakPolarHBondContact CA-O 3.37Å; L200-V246 HydrophobicContact CB-CG1 4.21Å; L200-V246 PolarHBondContact N-O 3.33Å; L200-V246 PolarHBondContact O-N 3.07Å; W216-V246 HydrophobicContact CD2-CB 4.24Å; W216-V246 HydrophobicContact CD2-CG1 3.54Å; W216-V246 VanDerWaalsContact CE2-CG1 3.46Å; W216-V246 HydrophobicContact CE3-CG1 3.95Å; W216-V246 HydrophobicContact CG-CB 4.06Å; W216-V246 HydrophobicContact CG-CG1 3.89Å; W216-V246 HydrophobicContact CH2-CG1 4.07Å; W216-V246 HydrophobicContact CZ2-CG1 3.76Å; W216-V246 HydrophobicContact CZ3-CG1 4.21Å; T227-V246 HydrophobicContact CG2-CB 4.09Å; T227-V246 HydrophobicContact CG2-CG2 4.29Å; V246-V248 HydrophobicContact CG1-CG1 3.74Å; V246-V248 HydrophobicContact CG2-CG1 4.42Å; V246-Y256 HydrophobicContact CG1-CD1 4.17Å; V246-Y256 HydrophobicContact CG2-CD1 4.32Å; V246-Y256 HydrophobicContact CG2-CE1 4.11Å
247V93.8Very high94Very high70 Ų7039.2 Ų39.242%0.42423%0.226SC..EExtended strand (participates in β ladder)trans-85.6127.7170.8-178.70000108.2E197E197-V247 HydrophobicContact CB-CG1 4.16Å; E197-V247 HydrophobicContact CG-CG1 4.34Å
248V93.5Very high94.2Very high1 Ų134.2 Ų34.21%0.00620%0.199CC..EExtended strand (participates in β ladder)trans-125.9143.5-177.1-53.20000110.4E197 A198 L200 V246 E253 Y256E197-V248 WeakPolarHBondContact CA-O 3.02Å; A198-V248 HydrophobicContact CB-CG2 4.32Å; A198-V248 PolarHBondContact N-O 2.92Å; A198-V248 WeakPolarHBondContact O-CG2 3.41Å; A198-V248 PolarHBondContact O-N 3.44Å; L200-V248 HydrophobicContact CD1-CG1 4.01Å; L200-V248 HydrophobicContact CD1-CG2 4.03Å; L200-V248 HydrophobicContact CG-CG1 4.23Å; L200-V248 HydrophobicContact CG-CG2 3.85Å; V246-V248 HydrophobicContact CG1-CG1 3.74Å; V246-V248 HydrophobicContact CG2-CG1 4.42Å; V248-E253 HydrophobicContact CG2-CG 3.93Å; V248-Y256 HydrophobicContact CB-CD2 3.98Å; V248-Y256 HydrophobicContact CB-CE2 3.7Å; V248-Y256 HydrophobicContact CG1-CD1 3.78Å; V248-Y256 HydrophobicContact CG1-CD2 3.52Å; V248-Y256 HydrophobicContact CG1-CE1 3.79Å; V248-Y256 HydrophobicContact CG1-CE2 3.53Å; V248-Y256 HydrophobicContact CG1-CG 3.65Å
249P93.4Very high94.4Very high48 Ų4833.8 Ų33.831%0.31219%0.186SC..EExtended strand (participates in β ladder)trans-63.5139.6169.8-20.332.3000110.9H196 G251 Q252H196-P249 CarbonylContact O-C 3.58Å; H196-P249 WeakPolarHBondContact O-CA 3.36Å; P249-G251 PolarHBondContact O-N 3.27Å; P249-Q252 HydrophobicContact CB-CB 4.4Å; P249-Q252 HydrophobicContact CB-CG 4.15Å; P249-Q252 WeakPolarHBondContact O-CB 3.35Å; P249-Q252 PolarHBondContact O-N 3.45Å
250S89.4Confident94.5Very high55 Ų5533.1 Ų33.139%0.38518%0.182SC..THydrogen-bonded Turntrans-56.4131.9177.1-61.30000111.3H196 E197 Q252 E253H196-S250 PolarHBondContact O-N 2.88Å; H196-S250 PolarHBondContact O-OG 2.92Å; E197-S250 PolarHBondContact N-OG 3.38Å; S250-Q252 VanDerWaalsContact C-N 3.31Å; S250-E253 WeakPolarHBondContact CA-OE1 3.38Å
251G88.3Confident94.5Very high67 Ų6737 Ų3769%0.69120%0.201SC*.THydrogen-bonded Turntrans85.2-3.9-176.900000114.7P249 E253P249-G251 PolarHBondContact O-N 3.27Å; G251-E253 WeakPolarHBondContact CA-OE2 3.04Å; G251-E253 VanDerWaalsContact N-CD 3.32Å; G251-E253 PolarHBondContact N-OE1 3.49Å; G251-E253 PolarHBondContact N-OE2 2.87Å
252Q92.4Very high94.5Very high66 Ų6635.7 Ų35.731%0.30820%0.195SC..  trans-103.95.5175.5-59.8-167.438.500113.4P249 S250 Q254 R255 Y256P249-Q252 HydrophobicContact CB-CB 4.4Å; P249-Q252 HydrophobicContact CB-CG 4.15Å; P249-Q252 WeakPolarHBondContact O-CB 3.35Å; P249-Q252 PolarHBondContact O-N 3.45Å; S250-Q252 VanDerWaalsContact C-N 3.31Å; Q252-Q254 PolarHBondContact O-N 3.05Å; Q252-Q254 VanDerWaalsContact O-N 3.11Å; Q252-R255 WeakPolarHBondContact O-CB 3.23Å; Q252-R255 PolarHBondContact O-N 3.15Å; Q252-Y256 HydrophobicContact CB-CE2 4.36Å; Q252-Y256 VanDerWaalsContact O-CD2 3.3Å; Q252-Y256 WeakPolarHBondContact O-CD2 3.35Å
253E92.2Very high94.4Very high19 Ų1941.9 Ų41.99%0.08922%0.224CC..G310 helixtrans-54.7-36.4-174.4-59.678.8-175.400112.1L200 V248 S250 G251 R255 Y256 W273L200-E253 HydrophobicContact CD1-CB 4.04Å; L200-E253 HydrophobicContact CD1-CG 4.38Å; L200-E253 HydrophobicContact CD2-CG 4.27Å; V248-E253 HydrophobicContact CG2-CG 3.93Å; S250-E253 WeakPolarHBondContact CA-OE1 3.38Å; G251-E253 WeakPolarHBondContact CA-OE2 3.04Å; G251-E253 VanDerWaalsContact N-CD 3.32Å; G251-E253 PolarHBondContact N-OE1 3.49Å; G251-E253 PolarHBondContact N-OE2 2.87Å; E253-R255 PolarHBondContact O-N 3.13Å; E253-Y256 PolarHBondContact O-N 2.88Å; E253-Y256 VanDerWaalsContact O-N 3.15Å; E253-W273 HydrophobicContact CB-CD2 4.26Å; E253-W273 HydrophobicContact CB-CE3 3.48Å; E253-W273 VanDerWaalsContact CB-CE3 3.48Å; E253-W273 HydrophobicContact CB-CZ3 3.96Å; E253-W273 HydrophobicContact CG-CE3 3.92Å; E253-W273 HydrophobicContact CG-CZ3 4.03Å
254Q91.8Very high94.3Very high96 Ų9641.7 Ų41.745%0.44923%0.23SC..G310 helixtrans-67.8-19-179.5-65-58.1-41.100114.4Q252 Y256 W273Q252-Q254 PolarHBondContact O-N 3.05Å; Q252-Q254 VanDerWaalsContact O-N 3.11Å; Q254-Y256 VanDerWaalsContact C-N 3.26Å; Q254-W273 PolarHBondContact NE2-O 3.09Å
255R94.2Very high94.4Very high108 Ų10842.8 Ų42.841%0.40824%0.235SC..G310 helixtrans-77.6-16.1175.9-63.7175.767.5-175.98.4112.2R218 D219 Q252 E253R218-R255 WeakPolarHBondContact CA-O 3.47Å; R218-R255 HydrophobicContact CG-CB 4.37Å; D219-R255 PolarHBondContact N-O 3.16Å; D219-R255 IonicContact OD1-NE 3.42Å; D219-R255 PolarHBondContact OD1-NE 3.44Å; D219-R255 IonicContact OD2-CZ 3.35Å; D219-R255 IonicContact OD2-NE 2.74Å; D219-R255 PolarHBondContact OD2-NE 3.11Å; D219-R255 IonicContact OD2-NH2 2.62Å; D219-R255 PolarHBondContact OD2-NH2 3.36Å; Q252-R255 WeakPolarHBondContact O-CB 3.23Å; Q252-R255 PolarHBondContact O-N 3.15Å; E253-R255 PolarHBondContact O-N 3.13Å
256Y94.8Very high94.4Very high7 Ų749 Ų493%0.02728%0.276CS..EExtended strand (participates in β ladder)trans-97.9130.2-177.7-66.9-99000110.9Q217 R218 Q223 V246 V248 Q252 E253 Q254Q217-Y256 CarbonylContact O-C 3.54Å; Q217-Y256 VanDerWaalsContact O-CA 3.28Å; Q217-Y256 WeakPolarHBondContact O-CA 2.83Å; R218-Y256 HydrophobicContact CB-CD1 4.06Å; R218-Y256 HydrophobicContact CB-CE1 3.89Å; R218-Y256 WeakPolarHBondContact CD-OH 3.29Å; R218-Y256 HydrophobicContact CG-CD1 4.42Å; R218-Y256 HydrophobicContact CG-CE1 4.06Å; R218-Y256 HydrophobicContact CG-CE2 4.25Å; Q223-Y256 HydrophobicContact CG-CE1 4.45Å; V246-Y256 HydrophobicContact CG1-CD1 4.17Å; V246-Y256 HydrophobicContact CG2-CD1 4.32Å; V246-Y256 HydrophobicContact CG2-CE1 4.11Å; V248-Y256 HydrophobicContact CB-CD2 3.98Å; V248-Y256 HydrophobicContact CB-CE2 3.7Å; V248-Y256 HydrophobicContact CG1-CD1 3.78Å; V248-Y256 HydrophobicContact CG1-CD2 3.52Å; V248-Y256 HydrophobicContact CG1-CE1 3.79Å; V248-Y256 HydrophobicContact CG1-CE2 3.53Å; V248-Y256 HydrophobicContact CG1-CG 3.65Å; Q252-Y256 HydrophobicContact CB-CE2 4.36Å; Q252-Y256 VanDerWaalsContact O-CD2 3.3Å; Q252-Y256 WeakPolarHBondContact O-CD2 3.35Å; E253-Y256 PolarHBondContact O-N 2.88Å; E253-Y256 VanDerWaalsContact O-N 3.15Å; Q254-Y256 VanDerWaalsContact C-N 3.26Å
257T96.3Very high94.4Very high10 Ų1056.7 Ų56.76%0.06131%0.309CS..EExtended strand (participates in β ladder)trans-123134176.246.30000110.6W216 Q217 H259 T270 L271 R272W216-T257 WeakPolarHBondContact CA-O 3.38Å; W216-T257 VanDerWaalsContact CE3-C 3.4Å; W216-T257 VanDerWaalsContact CE3-O 3.27Å; Q217-T257 PolarHBondContact N-O 2.89Å; Q217-T257 PolarHBondContact O-N 3.25Å; T257-H259 PolarHBondContact OG1-NE2 3.48Å; T257-T270 HydrophobicContact CG2-CG2 3.89Å; T257-L271 CarbonylContact C-O 3.55Å; T257-L271 WeakPolarHBondContact CA-O 3.27Å; T257-R272 HydrophobicContact CG2-CG 3.52Å; T257-R272 VanDerWaalsContact CG2-NE 3.32Å
258C96.3Very high94.6Very high0 Ų057.2 Ų57.20%031%0.314CS..EExtended strand (participates in β ladder)trans-94.2127.5170.5174.20000109.8C202 T215 W216 T270 L271C202-C258 HydrophobicContact CB-CB 3.51Å; C202-C258 WeakPolarHBondContact CB-SG 3.23Å; C202-C258 WeakPolarHBondContact SG-CB 3.49Å; C202-C258 CovalentContact SG-SG 2.03Å; C202-C258 PolarHBondContact SG-SG 2.91Å; T215-C258 CarbonylContact O-C 3.53Å; T215-C258 WeakPolarHBondContact O-CA 3.32Å; W216-C258 HydrophobicContact CD2-CB 4.3Å; W216-C258 HydrophobicContact CE3-CB 4.16Å; W216-C258 HydrophobicContact CH2-CB 4.27Å; W216-C258 HydrophobicContact CZ2-CB 4.33Å; W216-C258 HydrophobicContact CZ3-CB 4.14Å; C258-T270 CarbonylContact O-C 3.59Å; C258-T270 WeakPolarHBondContact O-CA 3.48Å; C258-L271 HydrophobicContact CB-CB 4.26Å; C258-L271 PolarHBondContact N-O 3.46Å; C258-L271 PolarHBondContact O-N 2.92Å
259H96.3Very high94.7Very high31 Ų3160 Ų6014%0.14433%0.328CS..EExtended strand (participates in β ladder)trans-107.1126.9178.2-64.5-106000109.9L214 T215 Q217 T257 L269 T270L214-H259 WeakPolarHBondContact CA-O 3.49Å; T215-H259 PolarHBondContact N-O 3.25Å; T215-H259 PolarHBondContact O-N 2.82Å; T215-H259 WeakPolarHBondContact OG1-CB 3.49Å; Q217-H259 PolarHBondContact OE1-CE1 3.46Å; Q217-H259 PolarHBondContact OE1-NE2 3.37Å; Q217-H259 VanDerWaalsContact OE1-NE2 3.13Å; T257-H259 PolarHBondContact OG1-NE2 3.48Å; H259-L269 WeakPolarHBondContact CA-O 3.43Å; H259-T270 PolarHBondContact ND1-OG1 3.25Å
260V97.3Very high94.9Very high0 Ų061.5 Ų61.50%034%0.337CS..EExtended strand (participates in β ladder)trans-120.2119.7-177.8-173.70000109.1P184 T186 I212 T213 L214 L265 P268 L269 L271P184-V260 HydrophobicContact CG-CG1 4.04Å; T186-V260 HydrophobicContact CG2-CG1 4.32Å; T186-V260 HydrophobicContact CG2-CG2 4.15Å; I212-V260 HydrophobicContact CD1-CG1 4Å; I212-V260 HydrophobicContact CG1-CG1 4.35Å; T213-V260 WeakPolarHBondContact O-CA 3.48Å; L214-V260 HydrophobicContact CD1-CG1 3.97Å; L214-V260 HydrophobicContact CG-CG2 4.31Å; V260-L265 HydrophobicContact CG1-CD1 4.16Å; V260-P268 WeakPolarHBondContact O-CA 3.38Å; V260-L269 HydrophobicContact CB-CB 4.3Å; V260-L269 PolarHBondContact N-O 2.96Å; V260-L269 PolarHBondContact O-N 3.04Å; V260-L271 HydrophobicContact CG2-CD1 3.97Å
261Q97.8Very high95.1Very high104 Ų10460.6 Ų60.649%0.48633%0.327SS..EExtended strand (participates in β ladder)trans-116.1128.1174-51.9-178.421.800109.1I212 T213 P268I212-Q261 VanDerWaalsContact CG1-O 3.3Å; I212-Q261 WeakPolarHBondContact CG1-O 3.36Å; T213-Q261 PolarHBondContact N-O 3.02Å; T213-Q261 PolarHBondContact O-N 3.19Å; Q261-P268 HydrophobicContact CG-CB 4.09Å; Q261-P268 HydrophobicContact CG-CG 4.18Å
262H97.5Very high95.4Very high15 Ų1565 Ų657%0.06932%0.323CS..  trans-155.1145-179-175.2-102.2000108.4D182 P184 F207 Y208 P209 E211 I212 G264 L265D182-H262 PolarHBondContact O-CE1 2.8Å; P184-H262 HydrophobicContact CG-CB 4.17Å; F207-H262 AromaticContact CD2-CD2 3.81Å; F207-H262 AromaticContact CD2-NE2 3.59Å; Y208-H262 PolarHBondContact O-CE1 3.33Å; P209-H262 PolarHBondContact O-NE2 2.99Å; E211-H262 PolarHBondContact O-CD2 2.98Å; E211-H262 VanDerWaalsContact O-CD2 3.29Å; I212-H262 HydrophobicContact CD1-CB 4.23Å; I212-H262 HydrophobicContact CG1-CB 4.01Å; H262-G264 WeakPolarHBondContact ND1-CA 3.12Å; H262-G264 PolarHBondContact ND1-N 2.88Å; H262-G264 PolarHBondContact O-N 3.29Å; H262-L265 HydrophobicContact CB-CD1 3.96Å; H262-L265 HydrophobicContact CB-CG 4.15Å; H262-L265 WeakPolarHBondContact O-CB 3.49Å; H262-L265 PolarHBondContact O-N 3.48Å
263E94.9Very high95.3Very high151 Ų15164.1 Ų64.171%0.70632%0.317SS*.THydrogen-bonded Turntrans-58.6-32.4-179.5-175.7174.3175.100112.6T181 L265T181-E263 HydrophobicContact CG2-CB 4.06Å; T181-E263 HydrophobicContact CG2-CG 4.15Å; E263-L265 PolarHBondContact O-N 3.39Å
264G94.6Very high94.9Very high21 Ų2170.9 Ų70.922%0.21635%0.349CS..THydrogen-bonded Turntrans-72.1-5.2177.700000114.7A183 H262A183-G264 WeakPolarHBondContact CB-O 3.4Å; H262-G264 WeakPolarHBondContact ND1-CA 3.12Å; H262-G264 PolarHBondContact ND1-N 2.88Å; H262-G264 PolarHBondContact O-N 3.29Å
265L96.9Very high94.3Very high24 Ų2470.2 Ų70.213%0.12635%0.352CS..  trans-100.8126.5176.8-65.2170.7000109.7A183 P184 V260 H262 E263 K267 L269A183-L265 HydrophobicContact CB-CD2 4.03Å; P184-L265 HydrophobicContact CG-CD1 3.87Å; P184-L265 HydrophobicContact CG-CD2 4.37Å; P184-L265 HydrophobicContact CG-CG 4.18Å; V260-L265 HydrophobicContact CG1-CD1 4.16Å; H262-L265 HydrophobicContact CB-CD1 3.96Å; H262-L265 HydrophobicContact CB-CG 4.15Å; H262-L265 WeakPolarHBondContact O-CB 3.49Å; H262-L265 PolarHBondContact O-N 3.48Å; E263-L265 PolarHBondContact O-N 3.39Å; L265-K267 WeakPolarHBondContact CB-O 3.42Å; L265-K267 PolarHBondContact O-N 3.33Å; L265-L269 HydrophobicContact CD1-CB 4.44Å; L265-L269 HydrophobicContact CD1-CD1 3.86Å; L265-L269 HydrophobicContact CD1-CG 3.84Å; L265-L269 HydrophobicContact CD2-CD1 3.57Å; L265-L269 HydrophobicContact CD2-CG 3.9Å; L265-L269 HydrophobicContact CG-CD1 4.38Å; L265-L269 HydrophobicContact CG-CG 4.45Å
266P95.4Very high92.8Very high133 Ų13370 Ų7086%0.86437%0.367SS*.SBendtrans-65.2-24.8177.827-34.7000112.4
267K96.1Very high90.6Very high164 Ų16475 Ų7571%0.71340%0.404SS*.SBendtrans-145.6150.7173.2-64.6-176.1-178.81780109.1L265 L269L265-K267 WeakPolarHBondContact CB-O 3.42Å; L265-K267 PolarHBondContact O-N 3.33Å; K267-L269 PolarHBondContact O-N 2.75Å
268P96.5Very high88.2Confident81 Ų8182.2 Ų82.253%0.52644%0.437SS..  trans-51.3137.2171.9-2836.2000112V260 Q261V260-P268 WeakPolarHBondContact O-CA 3.38Å; Q261-P268 HydrophobicContact CG-CB 4.09Å; Q261-P268 HydrophobicContact CG-CG 4.18Å
269L96.8Very high85.7Confident61 Ų6187.2 Ų87.232%0.31947%0.469SS..EExtended strand (participates in β ladder)trans-88.5143.7173.9-67.2175.9000110T186 H259 V260 L265 K267T186-L269 HydrophobicContact CG2-CD1 4.33Å; H259-L269 WeakPolarHBondContact CA-O 3.43Å; V260-L269 HydrophobicContact CB-CB 4.3Å; V260-L269 PolarHBondContact N-O 2.96Å; V260-L269 PolarHBondContact O-N 3.04Å; L265-L269 HydrophobicContact CD1-CB 4.44Å; L265-L269 HydrophobicContact CD1-CD1 3.86Å; L265-L269 HydrophobicContact CD1-CG 3.84Å; L265-L269 HydrophobicContact CD2-CD1 3.57Å; L265-L269 HydrophobicContact CD2-CG 3.9Å; L265-L269 HydrophobicContact CG-CD1 4.38Å; L265-L269 HydrophobicContact CG-CG 4.45Å; K267-L269 PolarHBondContact O-N 2.75Å
270T96.6Very high83.5Confident79 Ų7992.2 Ų92.249%0.48550%0.502SS..EExtended strand (participates in β ladder)trans-123118.2171.5-56.50000108.1T257 C258 H259T257-T270 HydrophobicContact CG2-CG2 3.89Å; C258-T270 CarbonylContact O-C 3.59Å; C258-T270 WeakPolarHBondContact O-CA 3.48Å; H259-T270 PolarHBondContact ND1-OG1 3.25Å
271L95.2Very high81.4Confident36 Ų3697.3 Ų97.319%0.18853%0.528CS..EExtended strand (participates in β ladder)trans-108.6137.2-177.1-61.4157.2000109.2T186 M188 T257 C258 V260T186-L271 HydrophobicContact CG2-CD1 4.06Å; M188-L271 HydrophobicContact CG-CB 4.28Å; M188-L271 HydrophobicContact SD-CB 3.69Å; T257-L271 CarbonylContact C-O 3.55Å; T257-L271 WeakPolarHBondContact CA-O 3.27Å; C258-L271 HydrophobicContact CB-CB 4.26Å; C258-L271 PolarHBondContact N-O 3.46Å; C258-L271 PolarHBondContact O-N 2.92Å; V260-L271 HydrophobicContact CG2-CD1 3.97Å
272R93.3Very high79.2Confident160 Ų16096.6 Ų96.660%0.60453%0.532SS*.EExtended strand (participates in β ladder)trans-117.3148.2168.4-73.7-176.1178.1152.30.4108.8M188 T257 E274M188-R272 VanDerWaalsContact SD-O 3.32Å; T257-R272 HydrophobicContact CG2-CG 3.52Å; T257-R272 VanDerWaalsContact CG2-NE 3.32Å; R272-E274 PolarHBondContact O-N 3.04Å
273W91.6Very high77.4Confident47 Ų47101.4 Ų101.418%0.17856%0.557CS.*  trans-69.2126.9174.9174.971.2000109.1M188 H190 L200 E253 Q254 P275M188-W273 HydrophobicContact CE-CB 3.85Å; M188-W273 HydrophobicContact SD-CB 4.37Å; M188-W273 PolarHBondContact SD-N 3.41Å; M188-W273 VanDerWaalsContact SD-N 3.36Å; H190-W273 HydrophobicContact CB-CZ2 4.16Å; H190-W273 VanDerWaalsContact CB-NE1 3.25Å; H190-W273 AromaticContact CG-CZ2 3.97Å; H190-W273 AromaticContact CG-NE1 4Å; L200-W273 HydrophobicContact CD1-CB 4.27Å; L200-W273 HydrophobicContact CD2-CB 4Å; L200-W273 HydrophobicContact CD2-CD2 4.34Å; L200-W273 HydrophobicContact CD2-CG 3.82Å; E253-W273 HydrophobicContact CB-CD2 4.26Å; E253-W273 HydrophobicContact CB-CE3 3.48Å; E253-W273 VanDerWaalsContact CB-CE3 3.48Å; E253-W273 HydrophobicContact CB-CZ3 3.96Å; E253-W273 HydrophobicContact CG-CE3 3.92Å; E253-W273 HydrophobicContact CG-CZ3 4.03Å; Q254-W273 PolarHBondContact NE2-O 3.09Å; W273-P275 HydrophobicContact CE3-CG 4.37Å; W273-P275 HydrophobicContact CH2-CB 3.89Å; W273-P275 HydrophobicContact CH2-CG 3.67Å; W273-P275 HydrophobicContact CZ2-CB 4.09Å; W273-P275 HydrophobicContact CZ2-CG 4.24Å; W273-P275 HydrophobicContact CZ3-CB 4.45Å; W273-P275 HydrophobicContact CZ3-CG 3.74Å
274E83.6Confident75.5Confident161 Ų16199.9 Ų99.975%0.75256%0.558SS**  trans-110.9128.1169.9-74.4-178.4176.400108.8R272 S276R272-E274 PolarHBondContact O-N 3.04Å; E274-S276 PolarHBondContact O-N 3.19Å
275P77.6Confident73.7Confident81 Ų81101 Ų10153%0.52657%0.57SS.*  trans-58.4126.2171.3-13.723.4000108.8W273 S277W273-P275 HydrophobicContact CE3-CG 4.37Å; W273-P275 HydrophobicContact CH2-CB 3.89Å; W273-P275 HydrophobicContact CH2-CG 3.67Å; W273-P275 HydrophobicContact CZ2-CB 4.09Å; W273-P275 HydrophobicContact CZ2-CG 4.24Å; W273-P275 HydrophobicContact CZ3-CB 4.45Å; W273-P275 HydrophobicContact CZ3-CG 3.74Å; P275-S277 PolarHBondContact O-N 3.18Å
276S63.2Low72.2Confident103 Ų103104.4 Ų104.472%0.7259%0.587SS**  trans-60.3114178.773.90000109.2E274 Q278E274-S276 PolarHBondContact O-N 3.19Å; S276-Q278 PolarHBondContact O-N 2.86Å
277S48.9Very low70.8Confident114 Ų114102.6 Ų102.680%0.79757%0.569SS**  trans-75.370.3167.160.60000108.4P275 P279P275-S277 PolarHBondContact O-N 3.18Å; S277-P279 WeakPolarHBondContact O-CD 2.89Å
278Q46.1Very low69.4Low161 Ų16197.1 Ų97.175%0.75256%0.555SS**  trans-68.5113156-81.7-169.7-22.900105.4S276 T280S276-Q278 PolarHBondContact O-N 2.86Å; Q278-T280 PolarHBondContact O-N 3.16Å
279P43Very low68.2Low105 Ų10594.9 Ų94.968%0.68255%0.546SS*.  trans-60.7116.3167.425.5-29.4000105.4S277 I281S277-P279 WeakPolarHBondContact O-CD 2.89Å; P279-I281 PolarHBondContact O-N 3.03Å
280T50.9Low67.3Low136 Ų13697.7 Ų97.783%0.83456%0.561SS**  trans-61.685.3161.4-40.20000105.1Q278 P282Q278-T280 PolarHBondContact O-N 3.16Å; T280-P282 VanDerWaalsContact O-CD 3.27Å; T280-P282 WeakPolarHBondContact O-CD 3.35Å
281I52.7Low66.3Low106 Ų10698.6 Ų98.654%0.54457%0.566SS.*  trans-52.4118.4170.2-63.9175.3000103.5P279 I283 I286P279-I281 PolarHBondContact O-N 3.03Å; I281-I283 PolarHBondContact O-N 3.28Å; I281-I286 HydrophobicContact CG2-CD1 3.77Å
282P52.8Low65.2Low89 Ų89102.5 Ų102.558%0.57859%0.587SS**  trans-72.885.5-176.828.9-31.8000106.6T280 V284 G285 I286T280-P282 VanDerWaalsContact O-CD 3.27Å; T280-P282 WeakPolarHBondContact O-CD 3.35Å; P282-V284 PolarHBondContact O-N 2.89Å; P282-V284 VanDerWaalsContact O-N 3.08Å; P282-G285 PolarHBondContact O-N 3.42Å; P282-I286 PolarHBondContact O-N 3.27Å
283I57.9Low64.3Low116 Ų116102.2 Ų102.260%0.59559%0.59SS**Hα-helixtrans-53.1-32.2177.4-67.1169000109.1I281 G285 I286 I287I281-I283 PolarHBondContact O-N 3.28Å; I283-G285 PolarHBondContact O-N 3.17Å; I283-I286 PolarHBondContact O-N 3.12Å; I283-I287 HydrophobicContact CG2-CD1 3.73Å; I283-I287 HydrophobicContact CG2-CG1 4.36Å; I283-I287 VanDerWaalsContact O-CG1 3.27Å; I283-I287 WeakPolarHBondContact O-CG1 3.42Å; I283-I287 PolarHBondContact O-N 3.09Å
284V55.5Low63.4Low119 Ų119101.8 Ų101.872%0.72160%0.6SS**Hα-helixtrans-61.9-39.9174.3-1740000112.8P282 A288P282-V284 PolarHBondContact O-N 2.89Å; P282-V284 VanDerWaalsContact O-N 3.08Å; V284-A288 WeakPolarHBondContact O-CB 3.36Å; V284-A288 PolarHBondContact O-N 3.39Å
285G58.2Low63Low45 Ų4597 Ų9746%0.46459%0.588SS.*Hα-helixtrans-70.1-36.3179.500000112.9P282 I283 G289P282-G285 PolarHBondContact O-N 3.42Å; I283-G285 PolarHBondContact O-N 3.17Å; G285-G289 PolarHBondContact O-N 3.38Å
286I64.2Low63.1Low95 Ų9598 Ų9849%0.48759%0.593SS.*Hα-helixtrans-70.8-42.2176.5-61.2175.2000110.5I281 P282 I283 G289 L290I281-I286 HydrophobicContact CG2-CD1 3.77Å; P282-I286 PolarHBondContact O-N 3.27Å; I283-I286 PolarHBondContact O-N 3.12Å; I286-G289 PolarHBondContact O-N 3.43Å; I286-L290 HydrophobicContact CG2-CD1 3.96Å; I286-L290 HydrophobicContact CG2-CG 4.48Å; I286-L290 WeakPolarHBondContact O-CB 3.42Å; I286-L290 WeakPolarHBondContact O-CG 3.4Å; I286-L290 PolarHBondContact O-N 3.36Å
287I65.7Low63.7Low96 Ų9697.9 Ų97.949%0.49258%0.583SS.*Hα-helixtrans-64.7-46.3176.9-67.2170.3000110.8I283 G289 L290 V291I283-I287 HydrophobicContact CG2-CD1 3.73Å; I283-I287 HydrophobicContact CG2-CG1 4.36Å; I283-I287 VanDerWaalsContact O-CG1 3.27Å; I283-I287 WeakPolarHBondContact O-CG1 3.42Å; I283-I287 PolarHBondContact O-N 3.09Å; I287-G289 VanDerWaalsContact C-N 3.32Å; I287-G289 PolarHBondContact O-N 2.8Å; I287-L290 PolarHBondContact O-N 3.29Å; I287-V291 HydrophobicContact CG2-CG2 4.33Å; I287-V291 VanDerWaalsContact O-CG2 3.29Å; I287-V291 WeakPolarHBondContact O-CG2 3.4Å; I287-V291 PolarHBondContact O-N 3.25Å
288A67Low64.8Low49 Ų4996.7 Ų96.741%0.40557%0.571SS.*Hα-helixtrans-60.9-41.9176.900000111.9V284 V291 L292V284-A288 WeakPolarHBondContact O-CB 3.36Å; V284-A288 PolarHBondContact O-N 3.39Å; A288-V291 PolarHBondContact O-N 3.48Å; A288-L292 WeakPolarHBondContact O-CB 3.43Å; A288-L292 WeakPolarHBondContact O-CG 3.37Å; A288-L292 PolarHBondContact O-N 2.84Å
289G71.8Confident66.1Low34 Ų3491.1 Ų91.135%0.35156%0.557SS.*Hα-helixtrans-61.2-45.3175.200000113G285 I286 I287 L292 F293G285-G289 PolarHBondContact O-N 3.38Å; I286-G289 PolarHBondContact O-N 3.43Å; I287-G289 VanDerWaalsContact C-N 3.32Å; I287-G289 PolarHBondContact O-N 2.8Å; G289-L292 PolarHBondContact O-N 3.4Å; G289-F293 WeakPolarHBondContact O-CB 3.46Å; G289-F293 PolarHBondContact O-N 3.2Å
290L77.3Confident67.7Low120 Ų12088.9 Ų88.963%0.62855%0.547SS*.Hα-helixtrans-67.1-39178.5-74.9169.6000112.9I286 I287 F293 G294I286-L290 HydrophobicContact CG2-CD1 3.96Å; I286-L290 HydrophobicContact CG2-CG 4.48Å; I286-L290 WeakPolarHBondContact O-CB 3.42Å; I286-L290 WeakPolarHBondContact O-CG 3.4Å; I286-L290 PolarHBondContact O-N 3.36Å; I287-L290 PolarHBondContact O-N 3.29Å; L290-F293 PolarHBondContact O-N 2.82Å; L290-G294 PolarHBondContact O-N 3.41Å
291V76Confident69Low97 Ų9786.4 Ų86.459%0.58853%0.532SS*.Hα-helixtrans-65.2-44176.3171.70000110.7I287 A288 G294 A295I287-V291 HydrophobicContact CG2-CG2 4.33Å; I287-V291 VanDerWaalsContact O-CG2 3.29Å; I287-V291 WeakPolarHBondContact O-CG2 3.4Å; I287-V291 PolarHBondContact O-N 3.25Å; A288-V291 PolarHBondContact O-N 3.48Å; V291-G294 PolarHBondContact O-N 3.1Å; V291-A295 WeakPolarHBondContact O-CB 3.45Å; V291-A295 PolarHBondContact O-N 3.46Å
292L72.7Confident70.1Confident119 Ų11985.4 Ų85.462%0.62353%0.53SS*.Hα-helixtrans-63.7-44.5176.1-74.7168.4000111.7A288 G289 G294 A295 V296A288-L292 WeakPolarHBondContact O-CB 3.43Å; A288-L292 WeakPolarHBondContact O-CG 3.37Å; A288-L292 PolarHBondContact O-N 2.84Å; G289-L292 PolarHBondContact O-N 3.4Å; L292-G294 PolarHBondContact O-N 3.01Å; L292-A295 PolarHBondContact O-N 3.15Å; L292-V296 WeakPolarHBondContact O-CG2 3.28Å; L292-V296 PolarHBondContact O-N 2.86Å
293F72.9Confident71Confident154 Ų15484 Ų8468%0.67553%0.526SS*.Hα-helixtrans-62.4-43176.5-120.4-89.8000112G289 L290 A295 V296 I297G289-F293 WeakPolarHBondContact O-CB 3.46Å; G289-F293 PolarHBondContact O-N 3.2Å; L290-F293 PolarHBondContact O-N 2.82Å; F293-A295 PolarHBondContact O-N 2.71Å; F293-V296 PolarHBondContact O-N 3.18Å; F293-I297 HydrophobicContact CD1-CD1 4.34Å; F293-I297 WeakPolarHBondContact O-CG1 3.38Å; F293-I297 PolarHBondContact O-N 2.9Å
294G73.3Confident71.7Confident38 Ų3881.2 Ų81.239%0.39252%0.52SS..Hα-helixtrans-59.4-45.1175.800000112.3L290 V291 L292 I297 T298L290-G294 PolarHBondContact O-N 3.41Å; V291-G294 PolarHBondContact O-N 3.1Å; L292-G294 PolarHBondContact O-N 3.01Å; G294-I297 PolarHBondContact O-N 3.45Å; G294-T298 PolarHBondContact O-N 3.01Å; G294-T298 PolarHBondContact O-OG1 3.14Å
295A75.6Confident72.5Confident59 Ų5979.4 Ų79.449%0.48851%0.509SS..Hα-helixtrans-64.5-40.117800000112.8V291 L292 F293 T298 G299V291-A295 WeakPolarHBondContact O-CB 3.45Å; V291-A295 PolarHBondContact O-N 3.46Å; L292-A295 PolarHBondContact O-N 3.15Å; F293-A295 PolarHBondContact O-N 2.71Å; A295-T298 WeakPolarHBondContact CA-OG1 3.5Å; A295-T298 PolarHBondContact O-OG1 3.02Å; A295-G299 PolarHBondContact O-N 3.02Å
296V78.8Confident73.2Confident104 Ų10483.6 Ų83.663%0.6352%0.518SS*.Hα-helixtrans-64.9-44.3176.3171.80000110.9L292 F293 G299 A300L292-V296 WeakPolarHBondContact O-CG2 3.28Å; L292-V296 PolarHBondContact O-N 2.86Å; F293-V296 PolarHBondContact O-N 3.18Å; V296-G299 PolarHBondContact O-N 2.98Å; V296-A300 WeakPolarHBondContact O-CB 3.49Å; V296-A300 PolarHBondContact O-N 3.41Å
297I75.7Confident73.6Confident100 Ų10089 Ų8951%0.51353%0.532SS..Hα-helixtrans-65.8-43.7178.9-68.8-172.2000110.9F293 G294 G299 A300 V301F293-I297 HydrophobicContact CD1-CD1 4.34Å; F293-I297 WeakPolarHBondContact O-CG1 3.38Å; F293-I297 PolarHBondContact O-N 2.9Å; G294-I297 PolarHBondContact O-N 3.45Å; I297-G299 PolarHBondContact O-N 3.43Å; I297-A300 PolarHBondContact O-N 3.48Å; I297-V301 HydrophobicContact CG2-CG2 4.34Å; I297-V301 VanDerWaalsContact O-CG2 3.27Å; I297-V301 WeakPolarHBondContact O-CG2 3.32Å; I297-V301 PolarHBondContact O-N 2.82Å
298T72.7Confident73.6Confident89 Ų8993.9 Ų93.955%0.54655%0.545SS..Hα-helixtrans-63.4-42.6175.921.50000111.8G294 A295 A300 V301 V302G294-T298 PolarHBondContact O-N 3.01Å; G294-T298 PolarHBondContact O-OG1 3.14Å; A295-T298 WeakPolarHBondContact CA-OG1 3.5Å; A295-T298 PolarHBondContact O-OG1 3.02Å; T298-A300 PolarHBondContact O-N 3.18Å; T298-V301 PolarHBondContact O-N 3.39Å; T298-V302 VanDerWaalsContact O-CG2 3.28Å; T298-V302 WeakPolarHBondContact O-CG2 3.41Å; T298-V302 PolarHBondContact O-N 3.49Å
299G74.6Confident73.3Confident44 Ų44101 Ų10145%0.45456%0.561SS.*Hα-helixtrans-59-45.2174.300000112.9A295 V296 I297 V302 A303A295-G299 PolarHBondContact O-N 3.02Å; V296-G299 PolarHBondContact O-N 2.98Å; I297-G299 PolarHBondContact O-N 3.43Å; G299-V302 PolarHBondContact O-N 3.5Å; G299-A303 WeakPolarHBondContact O-CB 3.45Å; G299-A303 PolarHBondContact O-N 3.25Å
300A75.8Confident72.4Confident58 Ų58108.2 Ų108.248%0.47958%0.583SS.*Hα-helixtrans-65.1-41.6178.400000112.5V296 I297 T298 A303 A304V296-A300 WeakPolarHBondContact O-CB 3.49Å; V296-A300 PolarHBondContact O-N 3.41Å; I297-A300 PolarHBondContact O-N 3.48Å; T298-A300 PolarHBondContact O-N 3.18Å; A300-A303 PolarHBondContact O-N 3.49Å; A300-A304 WeakPolarHBondContact O-CB 3.4Å; A300-A304 PolarHBondContact O-N 3.08Å
301V77.1Confident71.3Confident84 Ų84105.9 Ų105.951%0.50958%0.577SS.*Hα-helixtrans-65-44.9177.11720000110.8I297 T298 A303 A304 V305I297-V301 HydrophobicContact CG2-CG2 4.34Å; I297-V301 VanDerWaalsContact O-CG2 3.27Å; I297-V301 WeakPolarHBondContact O-CG2 3.32Å; I297-V301 PolarHBondContact O-N 2.82Å; T298-V301 PolarHBondContact O-N 3.39Å; V301-A303 PolarHBondContact O-N 2.79Å; V301-A304 PolarHBondContact O-N 3.27Å; V301-V305 HydrophobicContact CG1-CG2 4.35Å; V301-V305 WeakPolarHBondContact O-CB 3.01Å; V301-V305 VanDerWaalsContact O-CG2 3.27Å; V301-V305 WeakPolarHBondContact O-CG2 3.23Å; V301-V305 PolarHBondContact O-N 2.96Å
302V76Confident70.2Confident85 Ų85105.6 Ų105.652%0.51558%0.579SS.*Hα-helixtrans-62-44.6177.1172.90000110.8T298 G299 A304 V305 M306T298-V302 VanDerWaalsContact O-CG2 3.28Å; T298-V302 WeakPolarHBondContact O-CG2 3.41Å; T298-V302 PolarHBondContact O-N 3.49Å; G299-V302 PolarHBondContact O-N 3.5Å; V302-A304 PolarHBondContact O-N 2.94Å; V302-V305 PolarHBondContact O-N 2.79Å; V302-M306 HydrophobicContact CG1-SD 4.19Å; V302-M306 WeakPolarHBondContact O-CB 3.27Å; V302-M306 WeakPolarHBondContact O-CG 3.33Å; V302-M306 PolarHBondContact O-N 3.39Å
303A72.2Confident69Low59 Ų59107.3 Ų107.349%0.48859%0.589SS.*Hα-helixtrans-61.4-43.4176.300000112.3G299 A300 V301 M306 W307G299-A303 WeakPolarHBondContact O-CB 3.45Å; G299-A303 PolarHBondContact O-N 3.25Å; A300-A303 PolarHBondContact O-N 3.49Å; V301-A303 PolarHBondContact O-N 2.79Å; A303-M306 PolarHBondContact O-N 3.35Å; A303-W307 WeakPolarHBondContact O-CB 3.16Å; A303-W307 PolarHBondContact O-N 3.49Å
304A73.4Confident67.7Low57 Ų57110.6 Ų110.647%0.47160%0.597SS.*Hα-helixtrans-65.3-39.9177.200000112.6A300 V301 V302 W307 R308A300-A304 WeakPolarHBondContact O-CB 3.4Å; A300-A304 PolarHBondContact O-N 3.08Å; V301-A304 PolarHBondContact O-N 3.27Å; V302-A304 PolarHBondContact O-N 2.94Å; A304-W307 PolarHBondContact O-N 2.89Å; A304-R308 PolarHBondContact O-N 3.16Å
305V72.6Confident66Low81 Ų81118.7 Ų118.749%0.49162%0.621SS.*Hα-helixtrans-67.2-42176.4170.90000111V301 V302 W307 R308 R309V301-V305 HydrophobicContact CG1-CG2 4.35Å; V301-V305 WeakPolarHBondContact O-CB 3.01Å; V301-V305 VanDerWaalsContact O-CG2 3.27Å; V301-V305 WeakPolarHBondContact O-CG2 3.23Å; V301-V305 PolarHBondContact O-N 2.96Å; V302-V305 PolarHBondContact O-N 2.79Å; V305-W307 VanDerWaalsContact C-N 3.34Å; V305-R308 PolarHBondContact O-N 3.26Å; V305-R309 PolarHBondContact O-N 3.27Å
306M72.9Confident64.1Low134 Ų134119.7 Ų119.766%0.6664%0.637SS**Hα-helixtrans-63.6-39.3174.4-73.6-176.368.100111.9V302 A303 R309 K310V302-M306 HydrophobicContact CG1-SD 4.19Å; V302-M306 WeakPolarHBondContact O-CB 3.27Å; V302-M306 WeakPolarHBondContact O-CG 3.33Å; V302-M306 PolarHBondContact O-N 3.39Å; A303-M306 PolarHBondContact O-N 3.35Å; M306-R309 PolarHBondContact O-N 2.91Å; M306-K310 WeakPolarHBondContact O-CB 3.22Å; M306-K310 PolarHBondContact O-N 2.93Å
307W71.3Confident61.9Low207 Ų207118.7 Ų118.778%0.78465%0.648SS**Hα-helixtrans-63.5-44.8174.3-162.6-58.8000111.5A303 A304 V305 K310 S311A303-W307 WeakPolarHBondContact O-CB 3.16Å; A303-W307 PolarHBondContact O-N 3.49Å; A304-W307 PolarHBondContact O-N 2.89Å; V305-W307 VanDerWaalsContact C-N 3.34Å; W307-K310 PolarHBondContact O-N 3.46Å; W307-S311 PolarHBondContact O-N 2.97Å; W307-S311 PolarHBondContact O-OG 2.88Å
308R65.6Low59.8Low200 Ų200119 Ų11976%0.75566%0.659SS**Hα-helixtrans-60.8-45.5176.1-99-174.9176.1172.20112.1A304 V305 K310 S311 S312A304-R308 PolarHBondContact O-N 3.16Å; V305-R308 PolarHBondContact O-N 3.26Å; R308-K310 VanDerWaalsContact C-N 3.32Å; R308-K310 PolarHBondContact O-N 2.76Å; R308-S311 WeakPolarHBondContact CA-OG 3.46Å; R308-S311 PolarHBondContact O-N 3.48Å; R308-S311 VanDerWaalsContact O-N 3.16Å; R308-S311 PolarHBondContact O-OG 3.03Å; R308-S312 PolarHBondContact O-N 3.18Å; R308-S312 PolarHBondContact O-OG 3.31Å
309R60.2Low57.9Low199 Ų199125.1 Ų125.175%0.75167%0.674SS**Hα-helixtrans-61.7-36.5175.6-95.7-175.9163.8177.8-4.1112.9V305 M306 S311 S312V305-R309 PolarHBondContact O-N 3.27Å; M306-R309 PolarHBondContact O-N 2.91Å; R309-S311 VanDerWaalsContact C-N 3.35Å; R309-S312 PolarHBondContact O-OG 2.93Å; R309-S312 VanDerWaalsContact O-OG 3.09Å
310K54.1Low56.1Low184 Ų184128.8 Ų128.880%0.869%0.692SS**Hα-helixtrans-73.3-25.9176.3-165.9173.4179.81790113M306 W307 R308M306-K310 WeakPolarHBondContact O-CB 3.22Å; M306-K310 PolarHBondContact O-N 2.93Å; W307-K310 PolarHBondContact O-N 3.46Å; R308-K310 VanDerWaalsContact C-N 3.32Å; R308-K310 PolarHBondContact O-N 2.76Å
311S53.8Low54.1Low71 Ų71135.1 Ų135.150%0.49771%0.712SS.*Hα-helixtrans-85.9-21.4177.464.30000114.6W307 R308 R309W307-S311 PolarHBondContact O-N 2.97Å; W307-S311 PolarHBondContact O-OG 2.88Å; R308-S311 WeakPolarHBondContact CA-OG 3.46Å; R308-S311 PolarHBondContact O-N 3.48Å; R308-S311 VanDerWaalsContact O-N 3.16Å; R308-S311 PolarHBondContact O-OG 3.03Å; R309-S311 VanDerWaalsContact C-N 3.35Å
312S52.7Low52.1Low92 Ų92135.4 Ų135.464%0.64372%0.723SS**Hα-helixtrans-81.6-12.2179.1550000114.3R308 R309 R314R308-S312 PolarHBondContact O-N 3.18Å; R308-S312 PolarHBondContact O-OG 3.31Å; R309-S312 PolarHBondContact O-OG 2.93Å; R309-S312 VanDerWaalsContact O-OG 3.09Å; S312-R314 VanDerWaalsContact C-N 3.31Å; S312-R314 PolarHBondContact O-N 3.3Å
313D47.4Very low50.1Low155 Ų155136.3 Ų136.383%0.82974%0.739SS**THydrogen-bonded Turntrans-88.28.6179.8-117.73.2000113.8
314R46.7Very low48.3Very low222 Ų222138.8 Ų138.884%0.83875%0.753SS**SBendtrans-142.966.1-176-154.7176.2-172.9166.32.1113.1S312S312-R314 VanDerWaalsContact C-N 3.31Å; S312-R314 PolarHBondContact O-N 3.3Å
315K37.5Very low46.6Very low209 Ų209141.7 Ų141.791%0.90977%0.77SS**  trans178104.5140.9-102167179.4-175.90111.3
316G35.1Very low44.8Very low79 Ų79145.1 Ų145.181%0.81479%0.786SS**  trans-98.6151.7158.800000111.5
317G32.3Very low43.4Very low84 Ų84144.7 Ų144.787%0.86680%0.796SS**  trans77.3144168.700000115.6
318S31.4Very low41.7Very low106 Ų106139.1 Ų139.174%0.74179%0.794SS**  cis-171.7149.18.1170.50000108.9
319Y33.3Very low40.6Very low217 Ų217139.2 Ų139.285%0.85180%0.803SS**  trans20.6131.2155.5-77.3-96.2000122.8
320S36.1Very low39.4Very low121 Ų121133 Ų13385%0.84680%0.801SS**  179.7135.9103.348.90000115.2
321Q34.6Very low38.8Very low191 Ų191130 Ų13089%0.89380%0.804SS**  trans-40.2158.7157.6-167.7174.212.200114.3
322A34.4Very low38.1Very low90 Ų90134 Ų13474%0.74482%0.82SS**  cis-164.6164.3-6.600000108.2
323A34.8Very low37.5Very low104 Ų104136 Ų13686%0.8683%0.827SS**  trans-167.2136.813500000110.1
324S34.3Very low37.2Very low111 Ų111133.6 Ų133.678%0.77682%0.822SS**  trans-87.9157.8-175.780.90000111.9
325S37.3Very low36.8Very low118 Ų118130.6 Ų130.683%0.82582%0.822SS**  -168133.2126.8340000110.5
326D35.5Very low37Very low153 Ų153126.3 Ų126.382%0.81881%0.814SS**  trans-61.5153.5176.9-71.4-58.3000113.4
327S42.3Very low37.2Very low126 Ų126126.5 Ų126.588%0.88181%0.808SS**  -169.1133.1120.6-72.30000109.7
328A37.4Very low37.4Very low90 Ų90128.7 Ų128.774%0.74481%0.808SS**  trans-99.8179.9-165.400000113.6
329Q40.6Very low37.7Very low201 Ų201132.7 Ų132.794%0.93981%0.812SS**  trans77.9128.5164.9-66.2174.6-24.700115.4
330G35.1Very low38.2Very low69 Ų69132.4 Ų132.471%0.71183%0.833SS**  cis164.6166.912.800000104.6
331S42.5Very low38.3Very low122 Ų122133 Ų13385%0.85383%0.832SS**  cis-162.1157.45.5-59.60000106
332D39.4Very low38.5Very low155 Ų155129.9 Ų129.983%0.82983%0.829SS**  trans-53.3158.1171.7-72.7-57.5000114.5
333V39.1Very low38.8Very low132 Ų132132.1 Ų132.180%0.883%0.833SS**  166.3125.8105.21610000109.7
334S40.7Very low39Very low105 Ų105133.8 Ų133.873%0.73483%0.832SS**  trans-76152.5163.6-580000110.4
335L39.3Very low39.3Very low160 Ų160135.2 Ų135.284%0.83884%0.835SS**  trans173.3123.1132.9-90160.1000112
336T42Very low39.4Very low118 Ų118136.3 Ų136.372%0.72484%0.836SS**  trans43.1119.41366.60000123.6
337A38.5Very low39.7Very low84 Ų84135.1 Ų135.169%0.69484%0.837SS**  47.4126.3122.300000124.1
338C37.6Very low39.5Very low129 Ų129135.8 Ų135.887%0.87283%0.834SS**  trans60119.4134.5-73.30000121.9
339K37.2Very low39.7Very low191 Ų191139.7 Ų139.783%0.8384%0.841SS**  141.5124.898.5-156.8174.6-170.3176.60111.6
340V44.2Very low39.6Very low210 Ų210134.1 Ų134.1100%1.27383%0.833SS**  -145.30122.7179.60000106.9

Retrieved 340 of 340 residues in 1563.7 ms (Link to these results)

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