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Proteasome subunit beta

Component of the proteasome, a multicatalytic proteinase complex which is characterized by its ability to cleave peptides with Arg, Phe, Tyr, Leu, and Glu adjacent to the leaving group at neutral or slightly basic pH. The proteasome has an ATP-dependent proteolytic activity. Non-catalytic component of the 20S core proteasome complex involved in the proteolytic degradation of most intracellular proteins. This complex plays numerous essential roles within the cell by associating with different regulatory particles. Associated with two 19S regulatory particles, forms the 26S proteasome and thus participates in the ATP-dependent degradation of ubiquitinated proteins. The 26S proteasome plays a key role in the maintenance of protein homeostasis by removing misfolded or damaged proteins that could impair cellular functions, and by removing proteins whose functions are no longer required. Associated with the PA200 or PA28, the 20S proteasome mediates ubiquitin-independent protein degradation. This type of proteolysis is required in several pathways including spermatogenesis (20S-PA200 complex) or generation of a subset of MHC class I-presented antigenic peptides (20S-PA28 complex).

AlphaFold DB , UniProt , Accession A0A060XRN2, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene psmb2, Length 208 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
1M72.9Confident94.2Very high134 Ų13438.7 Ų38.766%0.6619%0.19SC*.  0135.40-167.1-175.9-75.900107.1Y134M1-Y134 HydrophobicContact CB-CD2 3.9Å; M1-Y134 HydrophobicContact CB-CE2 4.11Å; M1-Y134 HydrophobicContact CE-CD2 4.08Å; M1-Y134 HydrophobicContact CE-CE2 3.34Å; M1-Y134 HydrophobicContact CG-CD2 4.36Å; M1-Y134 HydrophobicContact CG-CE2 4.48Å; M1-Y134 HydrophobicContact SD-CD2 3.6Å; M1-Y134 HydrophobicContact SD-CE2 3.53Å; M1-Y134 VanDerWaalsContact SD-CE2 3.53Å; M1-Y134 HydrophobicContact SD-CG 4.23Å
2E92.3Very high94.5Very high43 Ų4335.5 Ų35.520%0.20117%0.174CC..  trans-77169.3-171.9-52.9177.4111.200111.2D18 K34 V47 G48 G133E2-D18 WeakPolarHBondContact CA-OD1 3.42Å; E2-K34 HydrophobicContact CB-CD 4.47Å; E2-K34 WeakPolarHBondContact OE1-CD 3.47Å; E2-K34 WeakPolarHBondContact OE1-CE 3.4Å; E2-K34 IonicContact OE1-NZ 3.65Å; E2-K34 PolarHBondContact OE1-NZ 3.1Å; E2-V47 HydrophobicContact CB-CB 3.91Å; E2-V47 HydrophobicContact CB-CG1 3.44Å; E2-V47 VanDerWaalsContact CB-CG1 3.44Å; E2-V47 HydrophobicContact CG-CG1 4.3Å; E2-V47 VanDerWaalsContact OE2-CA 3.23Å; E2-V47 WeakPolarHBondContact OE2-CA 3.47Å; E2-V47 VanDerWaalsContact OE2-CB 3.28Å; E2-V47 WeakPolarHBondContact OE2-CB 3.47Å; E2-V47 WeakPolarHBondContact OE2-CG1 3.32Å; E2-G48 PolarHBondContact OE2-N 3.46Å; E2-G133 WeakPolarHBondContact O-CA 3.4Å
3Y96.4Very high94.7Very high1 Ų132.8 Ų32.80%0.00416%0.161CC..  trans-133.1129.9-179.5176.3-99.1000111.8I5 A17 D18 A131 H132 T139 L167 F178Y3-I5 HydrophobicContact CE1-CB 3.81Å; Y3-I5 HydrophobicContact CE1-CG2 3.63Å; Y3-I5 WeakPolarHBondContact OH-CB 3.08Å; Y3-I5 VanDerWaalsContact OH-CD1 3.29Å; Y3-I5 WeakPolarHBondContact OH-CD1 3.3Å; Y3-A17 WeakPolarHBondContact O-CA 3.43Å; Y3-D18 PolarHBondContact N-OD1 2.9Å; Y3-D18 PolarHBondContact O-N 3.39Å; Y3-D18 VanDerWaalsContact O-N 3.13Å; Y3-A131 HydrophobicContact CE2-CB 4.27Å; Y3-H132 WeakPolarHBondContact CD2-O 3.4Å; Y3-T139 HydrophobicContact CE2-CG2 4.49Å; Y3-T139 WeakPolarHBondContact OH-CB 3.38Å; Y3-T139 VanDerWaalsContact OH-CG2 3.28Å; Y3-T139 WeakPolarHBondContact OH-CG2 3.32Å; Y3-T139 PolarHBondContact OH-OG1 3.46Å; Y3-L167 HydrophobicContact CD1-CD1 3.87Å; Y3-L167 HydrophobicContact CD2-CD1 4.41Å; Y3-L167 HydrophobicContact CE1-CD1 3.52Å; Y3-L167 HydrophobicContact CE2-CD1 4.13Å; Y3-L167 HydrophobicContact CG-CD1 4.25Å; Y3-F178 HydrophobicContact CD1-CD1 4.33Å; Y3-F178 AromaticContact CD1-CE1 3.67Å; Y3-F178 HydrophobicContact CD1-CE1 3.67Å; Y3-F178 HydrophobicContact CE1-CE1 4.21Å
4L97.8Very high95Very high0 Ų030.6 Ų30.60%015%0.15CC..EExtended strand (participates in β ladder)trans-123.2146.3172.4-55.9179.8000109.7A17 L45 V47 L103 A131 H132L4-A17 HydrophobicContact CD2-CB 3.54Å; L4-L45 HydrophobicContact CD1-CB 3.69Å; L4-L45 HydrophobicContact CD2-CB 3.93Å; L4-L45 HydrophobicContact CD2-CD2 4.04Å; L4-L45 HydrophobicContact CG-CB 4.35Å; L4-V47 HydrophobicContact CD1-CB 4.22Å; L4-V47 HydrophobicContact CD1-CG1 3.72Å; L4-V47 HydrophobicContact CD1-CG2 3.64Å; L4-V47 HydrophobicContact CD2-CG1 3.59Å; L4-V47 HydrophobicContact CG-CB 4.32Å; L4-V47 HydrophobicContact CG-CG1 3.45Å; L4-V47 VanDerWaalsContact CG-CG1 3.45Å; L4-V47 HydrophobicContact CG-CG2 3.94Å; L4-L103 HydrophobicContact CB-CD1 3.91Å; L4-L103 HydrophobicContact CB-CG 4.35Å; L4-L103 HydrophobicContact CD1-CG 4.38Å; L4-A131 CarbonylContact O-C 3.13Å; L4-A131 WeakPolarHBondContact O-CA 3.48Å; L4-A131 WeakPolarHBondContact O-CB 3.4Å; L4-H132 HydrophobicContact CB-CB 4.27Å; L4-H132 HydrophobicContact CD1-CB 4.43Å; L4-H132 PolarHBondContact N-O 3.35Å; L4-H132 VanDerWaalsContact N-O 3.17Å; L4-H132 PolarHBondContact O-N 2.89Å
5I98.2Very high95.2Very high1 Ų128.5 Ų28.51%0.00514%0.14CC..EExtended strand (participates in β ladder)trans-142.8141171.6-178.6167.5000110.1Y3 I7 V15 A16 A130 L143 L160 C163Y3-I5 HydrophobicContact CE1-CB 3.81Å; Y3-I5 HydrophobicContact CE1-CG2 3.63Å; Y3-I5 WeakPolarHBondContact OH-CB 3.08Å; Y3-I5 VanDerWaalsContact OH-CD1 3.29Å; Y3-I5 WeakPolarHBondContact OH-CD1 3.3Å; I5-I7 HydrophobicContact CG1-CG1 4.44Å; I5-V15 CarbonylContact O-C 3.54Å; I5-V15 WeakPolarHBondContact O-CA 3.48Å; I5-A16 HydrophobicContact CG2-CB 3.71Å; I5-A16 PolarHBondContact N-O 3.18Å; I5-A16 PolarHBondContact O-N 3.49Å; I5-A130 CarbonylContact C-O 3.54Å; I5-A130 WeakPolarHBondContact CA-O 3.33Å; I5-L143 HydrophobicContact CD1-CD1 3.87Å; I5-L143 HydrophobicContact CD1-CD2 4.36Å; I5-L143 HydrophobicContact CD1-CG 4.49Å; I5-L143 HydrophobicContact CG1-CD1 4.34Å; I5-L160 HydrophobicContact CD1-CD1 4.02Å; I5-L160 HydrophobicContact CG1-CD1 4.47Å; I5-L160 HydrophobicContact CG2-CD1 3.56Å; I5-C163 HydrophobicContact CD1-CB 4.14Å
6G98.2Very high95.4Very high0 Ų026.8 Ų26.80%013%0.131CC..EExtended strand (participates in β ladder)trans-134.2141.8172.200000110.6L14 L115 F129 A130G6-L14 CarbonylContact C-O 3.58Å; G6-L14 WeakPolarHBondContact CA-O 3.49Å; G6-L115 VanDerWaalsContact C-CD2 3.42Å; G6-L115 WeakPolarHBondContact O-CD2 3.42Å; G6-F129 CarbonylContact O-C 3.55Å; G6-F129 WeakPolarHBondContact O-CA 3.31Å; G6-F129 WeakPolarHBondContact O-CB 3.26Å; G6-A130 PolarHBondContact N-O 3.11Å; G6-A130 PolarHBondContact O-N 3.06Å
7I98.3Very high95.5Very high2 Ų225.2 Ų25.21%0.0112%0.124CC..EExtended strand (participates in β ladder)trans-133.5119.7178-56170.2000107.4I5 L14 L143 Y147 L159 L160I5-I7 HydrophobicContact CG1-CG1 4.44Å; I7-L14 PolarHBondContact N-O 2.96Å; I7-L14 PolarHBondContact O-N 3.27Å; I7-L143 HydrophobicContact CD1-CD2 3.72Å; I7-L143 HydrophobicContact CG1-CD2 3.87Å; I7-Y147 HydrophobicContact CG2-CD2 4.06Å; I7-Y147 HydrophobicContact CG2-CE2 4.03Å; I7-L159 HydrophobicContact CD1-CD2 4.41Å; I7-L159 HydrophobicContact CD1-CG 4.33Å; I7-L160 HydrophobicContact CD1-CB 4.32Å
8Q97.9Very high95.5Very high33 Ų3324 Ų2415%0.15412%0.118CC..EExtended strand (participates in β ladder)trans-90.6116.7175.6-174.2-169.6-3300109.5V13 P113 L115 P128 Y147Q8-V13 HydrophobicContact CG-CG2 4.36Å; Q8-P113 HydrophobicContact CG-CB 4.06Å; Q8-P113 HydrophobicContact CG-CG 4.18Å; Q8-P113 PolarHBondContact NE2-O 2.97Å; Q8-L115 HydrophobicContact CB-CB 4.2Å; Q8-P128 WeakPolarHBondContact CA-O 2.95Å; Q8-P128 WeakPolarHBondContact CB-O 3.42Å; Q8-P128 PolarHBondContact N-O 3.41Å; Q8-Y147 VanDerWaalsContact O-CE2 3.27Å; Q8-Y147 WeakPolarHBondContact O-CE2 3.29Å; Q8-Y147 PolarHBondContact O-OH 3.04Å
9G95.9Very high95.4Very high3 Ų322.8 Ų22.83%0.03111%0.112CC..  trans-89.7-166.4168.100000112.1F12 P113G9-F12 PolarHBondContact N-O 2.74Å; G9-P113 WeakPolarHBondContact O-CG 3.43Å
10Q93.6Very high95.3Very high141 Ų14122.4 Ų22.466%0.65911%0.11SC*.SBendtrans-73-45.5-178.7-172.3175.63.100112.7P113Q10-P113 WeakPolarHBondContact O-CD 3.15Å; Q10-P113 VanDerWaalsContact O-CG 3.29Å; Q10-P113 WeakPolarHBondContact O-CG 3.33Å
11D95.2Very high95.2Very high68 Ų6822.8 Ų22.836%0.36412%0.117SC..SBendtrans-119.86.8-176.967.6-51.6000113.3F107 R153D11-F107 WeakPolarHBondContact O-CD2 3.3Å; D11-F107 WeakPolarHBondContact O-CE2 3.45Å; D11-R153 IonicContact OD2-CZ 3.02Å; D11-R153 IonicContact OD2-NE 3.97Å; D11-R153 IonicContact OD2-NH2 2.62Å; D11-R153 PolarHBondContact OD2-NH2 3.31Å
12F96.8Very high96.1Very high0 Ų019.5 Ų19.50%011%0.112CC..  trans-148.3164.4-177.468-83.9000112.9G9 L14 L151 R153 A156 L182 I183 D184G9-F12 PolarHBondContact N-O 2.74Å; F12-L14 HydrophobicContact CD2-CB 4.21Å; F12-L14 HydrophobicContact CE2-CB 4.07Å; F12-L151 WeakPolarHBondContact CE1-O 3.3Å; F12-R153 HydrophobicContact CD1-CG 3.57Å; F12-R153 HydrophobicContact CE1-CB 4.31Å; F12-R153 HydrophobicContact CE1-CG 3.65Å; F12-R153 HydrophobicContact CG-CG 4.05Å; F12-R153 HydrophobicContact CZ-CB 4.42Å; F12-R153 HydrophobicContact CZ-CG 4.18Å; F12-A156 HydrophobicContact CE2-CB 3.61Å; F12-A156 HydrophobicContact CZ-CB 3.56Å; F12-L182 HydrophobicContact CB-CD1 4.36Å; F12-L182 HydrophobicContact CB-CD2 4.09Å; F12-L182 HydrophobicContact CB-CG 4.13Å; F12-L182 HydrophobicContact CD2-CD1 3.89Å; F12-L182 HydrophobicContact CD2-CG 4.21Å; F12-L182 HydrophobicContact CG-CD1 4.19Å; F12-L182 HydrophobicContact CG-CG 4.43Å; F12-I183 CarbonylContact C-O 3.54Å; F12-I183 WeakPolarHBondContact CA-O 3.14Å; F12-I183 WeakPolarHBondContact CB-O 3.42Å; F12-D184 HydrophobicContact CB-CB 4.31Å
13V98Very high96Very high0 Ų022.9 Ų22.90%013%0.131CC..EExtended strand (participates in β ladder)trans-122.9122.4164.5-169.50000108.7Q8 V15 A105 P113 L115 I183Q8-V13 HydrophobicContact CG-CG2 4.36Å; V13-V15 HydrophobicContact CG1-CG1 4.13Å; V13-A105 HydrophobicContact CB-CB 4.26Å; V13-A105 HydrophobicContact CG1-CB 3.66Å; V13-P113 HydrophobicContact CG2-CB 3.53Å; V13-L115 HydrophobicContact CG1-CB 4.15Å; V13-L115 HydrophobicContact CG1-CD1 4.2Å; V13-I183 HydrophobicContact CB-CD1 4.29Å; V13-I183 PolarHBondContact N-O 3.33Å; V13-I183 PolarHBondContact O-N 3.29Å
14L98.2Very high95.8Very high2 Ų228 Ų281%0.0117%0.167CC..EExtended strand (participates in β ladder)trans-97.2129.1173.9-17571.4000108.9G6 I7 F12 A156 V157 L160 V180 L182 L191G6-L14 CarbonylContact C-O 3.58Å; G6-L14 WeakPolarHBondContact CA-O 3.49Å; I7-L14 PolarHBondContact N-O 2.96Å; I7-L14 PolarHBondContact O-N 3.27Å; F12-L14 HydrophobicContact CD2-CB 4.21Å; F12-L14 HydrophobicContact CE2-CB 4.07Å; L14-A156 HydrophobicContact CD2-CB 4.12Å; L14-V157 HydrophobicContact CD1-CG2 4.27Å; L14-V157 HydrophobicContact CD2-CG2 3.98Å; L14-L160 HydrophobicContact CD2-CB 4.16Å; L14-L160 HydrophobicContact CD2-CD2 3.95Å; L14-L160 HydrophobicContact CG-CD2 4.4Å; L14-V180 HydrophobicContact CD1-CG1 3.56Å; L14-V180 HydrophobicContact CG-CG1 4.23Å; L14-L182 HydrophobicContact CD1-CB 4.24Å; L14-L182 HydrophobicContact CD1-CD1 4.47Å; L14-L191 HydrophobicContact CD1-CD1 3.78Å
15V98.3Very high95.4Very high0 Ų035.8 Ų35.80%021%0.207CC..EExtended strand (participates in β ladder)trans-129.9147177.7-65.20000111.1I5 V13 M35 L43 L45 A105 V180 R181 I183I5-V15 CarbonylContact O-C 3.54Å; I5-V15 WeakPolarHBondContact O-CA 3.48Å; V13-V15 HydrophobicContact CG1-CG1 4.13Å; V15-M35 HydrophobicContact CG2-CE 4.29Å; V15-M35 HydrophobicContact CG2-SD 4.03Å; V15-L43 HydrophobicContact CG2-CD2 4.01Å; V15-L45 HydrophobicContact CB-CD1 3.95Å; V15-L45 HydrophobicContact CB-CD2 3.96Å; V15-L45 HydrophobicContact CG1-CD1 3.89Å; V15-L45 HydrophobicContact CG2-CD1 4.15Å; V15-L45 HydrophobicContact CG2-CD2 4.31Å; V15-A105 HydrophobicContact CG1-CB 3.55Å; V15-V180 WeakPolarHBondContact O-CA 3.39Å; V15-R181 HydrophobicContact CG2-CB 3.99Å; V15-R181 WeakPolarHBondContact CG2-O 3.27Å; V15-R181 PolarHBondContact N-O 3.17Å; V15-R181 PolarHBondContact O-N 3.35Å; V15-I183 HydrophobicContact CG1-CD1 4.49Å; V15-I183 HydrophobicContact CG2-CD1 4.25Å
16A98Very high95.1Very high0 Ų040.5 Ų40.50%023%0.231CC..EExtended strand (participates in β ladder)trans-140.4148.3173.200000112.2I5 L160 T179 V180I5-A16 HydrophobicContact CG2-CB 3.71Å; I5-A16 PolarHBondContact N-O 3.18Å; I5-A16 PolarHBondContact O-N 3.49Å; A16-L160 HydrophobicContact CB-CD1 4.02Å; A16-L160 HydrophobicContact CB-CD2 3.85Å; A16-T179 WeakPolarHBondContact CA-O 3.47Å; A16-V180 HydrophobicContact CB-CG2 4.03Å
17A97.4Very high94.7Very high1 Ų144 Ų441%0.00825%0.247CC..EExtended strand (participates in β ladder)trans-136.6144.8176.100000109.9Y3 L4 K34 M35 L45 F178 T179Y3-A17 WeakPolarHBondContact O-CA 3.43Å; L4-A17 HydrophobicContact CD2-CB 3.54Å; A17-K34 HydrophobicContact CB-CB 4.11Å; A17-M35 HydrophobicContact CB-CE 3.74Å; A17-M35 HydrophobicContact CB-CG 4.4Å; A17-M35 VanDerWaalsContact N-CE 3.34Å; A17-L45 HydrophobicContact CB-CD2 4.24Å; A17-F178 CarbonylContact O-C 3.57Å; A17-F178 WeakPolarHBondContact O-CA 3.45Å; A17-T179 PolarHBondContact N-O 3.23Å; A17-T179 VanDerWaalsContact N-O 3.09Å; A17-T179 PolarHBondContact O-N 2.92Å
18D95.5Very high94.5Very high3 Ų349.6 Ų49.62%0.01628%0.275CS..EExtended strand (participates in β ladder)trans-66152170.680.2-75.8000111.1E2 Y3 I20 K34 L175 F178E2-D18 WeakPolarHBondContact CA-OD1 3.42Å; Y3-D18 PolarHBondContact N-OD1 2.9Å; Y3-D18 PolarHBondContact O-N 3.39Å; Y3-D18 VanDerWaalsContact O-N 3.13Å; D18-I20 PolarHBondContact OD2-N 3.07Å; D18-K34 WeakPolarHBondContact O-CD 3.49Å; D18-K34 WeakPolarHBondContact O-CE 3.46Å; D18-K34 IonicContact OD1-NZ 3.87Å; D18-K34 PolarHBondContact OD1-NZ 2.81Å; D18-K34 IonicContact OD2-NZ 2.83Å; D18-K34 PolarHBondContact OD2-NZ 3.23Å; D18-L175 HydrophobicContact CB-CD1 4.29Å; D18-L175 HydrophobicContact CB-CD2 4.15Å; D18-F178 HydrophobicContact CB-CD1 4.13Å; D18-F178 HydrophobicContact CB-CE1 3.88Å
19N94.2Very high94.2Very high2 Ų251.9 Ų51.91%0.01128%0.284CS..  trans-98.18.8-176.8-62.1124.9000115.5Q30 D31 Q32 S177 F178 T179N19-Q30 WeakPolarHBondContact CB-O 3.42Å; N19-Q30 CarbonylContact O-C 3.54Å; N19-Q30 WeakPolarHBondContact O-CA 3.37Å; N19-D31 PolarHBondContact O-N 3.31Å; N19-Q32 WeakPolarHBondContact CA-O 3.39Å; N19-Q32 PolarHBondContact ND2-O 2.88Å; N19-Q32 WeakPolarHBondContact O-CB 3.44Å; N19-Q32 PolarHBondContact O-N 3.39Å; N19-S177 WeakPolarHBondContact CB-OG 3.41Å; N19-S177 PolarHBondContact N-O 3.27Å; N19-S177 VanDerWaalsContact OD1-C 3.23Å; N19-S177 WeakPolarHBondContact OD1-CB 3.33Å; N19-S177 PolarHBondContact OD1-O 3.03Å; N19-S177 PolarHBondContact OD1-OG 3.26Å; N19-F178 WeakPolarHBondContact OD1-CA 3.48Å; N19-F178 PolarHBondContact OD1-N 2.92Å; N19-T179 PolarHBondContact ND2-OG1 2.94Å; N19-T179 PolarHBondContact OD1-N 3.04Å
20I93.1Very high93.9Very high13 Ų1354.5 Ų54.57%0.06730%0.296CS..  trans-87.5130.6-174.9-69.5163.6000110.5D18 A22 Q27 K29 K34 N174 L175 P176D18-I20 PolarHBondContact OD2-N 3.07Å; I20-A22 HydrophobicContact CG2-CB 3.85Å; I20-Q27 HydrophobicContact CG2-CG 4.08Å; I20-K29 WeakPolarHBondContact CA-O 3.09Å; I20-K34 WeakPolarHBondContact O-CE 3.4Å; I20-K34 PolarHBondContact O-NZ 3.41Å; I20-N174 WeakPolarHBondContact CD1-O 3.34Å; I20-L175 HydrophobicContact CD1-CD2 3.75Å; I20-P176 HydrophobicContact CD1-CG 4.27Å; I20-P176 HydrophobicContact CG1-CG 4.38Å
21A93Very high93.9Very high32 Ų3252.3 Ų52.326%0.26429%0.289SS..EExtended strand (participates in β ladder)trans-108.2112.9154.200000108.3M28 K29 Q32A21-M28 PolarHBondContact O-N 3.23Å; A21-K29 HydrophobicContact CB-CB 4.04Å; A21-K29 PolarHBondContact N-O 3.14Å; A21-K29 PolarHBondContact O-N 2.92Å; A21-K29 VanDerWaalsContact O-N 3.09Å; A21-Q32 HydrophobicContact CB-CB 4.09Å; A21-Q32 HydrophobicContact CB-CG 4.24Å
22A91.4Very high93.8Very high65 Ų6551.8 Ų51.854%0.53728%0.284SS..EExtended strand (participates in β ladder)trans-113.7144.4178.500000110.2I20 I26I20-A22 HydrophobicContact CG2-CB 3.85Å; A22-I26 WeakPolarHBondContact CA-O 3.47Å
23N91.4Very high93.7Very high114 Ų11454.3 Ų54.361%0.6130%0.298SS*.EExtended strand (participates in β ladder)trans-127.9124.2170.2-169-35.8000108.1I25 I26 M28N23-I25 PolarHBondContact O-N 3.4Å; N23-I26 PolarHBondContact N-O 2.93Å; N23-I26 PolarHBondContact O-N 3.41Å; N23-M28 HydrophobicContact CB-CG 4.01Å
24S90.9Very high93.6Very high109 Ų10954.6 Ų54.676%0.76230%0.299SS*.THydrogen-bonded Turntrans55.1-129.6-169.1-173.60000110.4
25I89.8Confident93.6Very high162 Ų16255 Ų5583%0.83130%0.3SS*.THydrogen-bonded Turntrans-86.3-3.5-179.463.4174.3000113.9N23N23-I25 PolarHBondContact O-N 3.4Å
26I91.1Very high93.5Very high101 Ų10156.5 Ų56.552%0.51831%0.307SS..EExtended strand (participates in β ladder)trans-108.6130.9-170.8-49.7177.7000110A22 N23 M28A22-I26 WeakPolarHBondContact CA-O 3.47Å; N23-I26 PolarHBondContact N-O 2.93Å; N23-I26 PolarHBondContact O-N 3.41Å; I26-M28 HydrophobicContact CB-CE 3.42Å; I26-M28 VanDerWaalsContact CB-CE 3.42Å; I26-M28 HydrophobicContact CD1-CE 4.25Å; I26-M28 HydrophobicContact CG1-CE 4.39Å; I26-M28 HydrophobicContact CG2-CE 3.37Å; I26-M28 PolarHBondContact O-N 3.31Å
27Q91.1Very high93.5Very high72 Ų7261 Ų6134%0.33633%0.327SS..EExtended strand (participates in β ladder)trans-76.7109.8168.3-64.7-179.1-15.400108.8I20 N174I20-Q27 HydrophobicContact CG2-CG 4.08Å; Q27-N174 PolarHBondContact NE2-O 3.47Å
28M92.8Very high93.4Very high121 Ų12160.9 Ų60.960%0.59633%0.326SS*.EExtended strand (participates in β ladder)trans-79-37.5-179.7-65.8-71.4124.400111.5A21 N23 I26A21-M28 PolarHBondContact O-N 3.23Å; N23-M28 HydrophobicContact CB-CG 4.01Å; I26-M28 HydrophobicContact CB-CE 3.42Å; I26-M28 VanDerWaalsContact CB-CE 3.42Å; I26-M28 HydrophobicContact CD1-CE 4.25Å; I26-M28 HydrophobicContact CG1-CE 4.39Å; I26-M28 HydrophobicContact CG2-CE 3.37Å; I26-M28 PolarHBondContact O-N 3.31Å
29K92.2Very high93.4Very high81 Ų8160.8 Ų60.835%0.35233%0.325SS..EExtended strand (participates in β ladder)trans-143.7143.4-175.8-166174.7174.2-173.10110.5I20 A21 D31 Q32I20-K29 WeakPolarHBondContact CA-O 3.09Å; A21-K29 HydrophobicContact CB-CB 4.04Å; A21-K29 PolarHBondContact N-O 3.14Å; A21-K29 PolarHBondContact O-N 2.92Å; A21-K29 VanDerWaalsContact O-N 3.09Å; K29-D31 WeakPolarHBondContact CD-OD1 3.12Å; K29-D31 WeakPolarHBondContact CE-OD1 3.27Å; K29-D31 WeakPolarHBondContact CE-OD2 3.21Å; K29-D31 WeakPolarHBondContact CG-OD1 3.5Å; K29-D31 IonicContact NZ-OD2 2.73Å; K29-Q32 HydrophobicContact CD-CB 4.38Å
30Q90.6Very high93.3Very high58 Ų5864 Ų6427%0.27134%0.343SS..SBendtrans-117.32.4180-65.6-178.4-0.600113.1N19N19-Q30 WeakPolarHBondContact CB-O 3.42Å; N19-Q30 CarbonylContact O-C 3.54Å; N19-Q30 WeakPolarHBondContact O-CA 3.37Å
31D92.3Very high93.5Very high95 Ų9565.2 Ų65.251%0.50835%0.347SS..  trans-125.528.3-179.665.1-47.4000111.3N19 K29 D33N19-D31 PolarHBondContact O-N 3.31Å; K29-D31 WeakPolarHBondContact CD-OD1 3.12Å; K29-D31 WeakPolarHBondContact CE-OD1 3.27Å; K29-D31 WeakPolarHBondContact CE-OD2 3.21Å; K29-D31 WeakPolarHBondContact CG-OD1 3.5Å; K29-D31 IonicContact NZ-OD2 2.73Å; D31-D33 PolarHBondContact O-N 3.38Å
32Q93.8Very high93.7Very high56 Ų5663.8 Ų63.826%0.26234%0.336SS..  trans-69.8126.9175.3-175.462.319.200109.9N19 A21 K29 K34N19-Q32 WeakPolarHBondContact CA-O 3.39Å; N19-Q32 PolarHBondContact ND2-O 2.88Å; N19-Q32 WeakPolarHBondContact O-CB 3.44Å; N19-Q32 PolarHBondContact O-N 3.39Å; A21-Q32 HydrophobicContact CB-CB 4.09Å; A21-Q32 HydrophobicContact CB-CG 4.24Å; K29-Q32 HydrophobicContact CD-CB 4.38Å; Q32-K34 HydrophobicContact CG-CG 4.39Å
33D94.8Very high94Very high54 Ų5460.8 Ų60.829%0.28931%0.31SS..  trans-91.7131.5167.8-166.2-2.1000109.3D31 M35 R181D31-D33 PolarHBondContact O-N 3.38Å; D33-M35 VanDerWaalsContact OD1-CB 3.29Å; D33-M35 WeakPolarHBondContact OD1-CB 3.42Å; D33-M35 PolarHBondContact OD1-N 3.35Å; D33-R181 IonicContact OD1-NH1 2.72Å; D33-R181 IonicContact OD2-CZ 2.92Å; D33-R181 VanDerWaalsContact OD2-CZ 3.31Å; D33-R181 IonicContact OD2-NH1 3.09Å; D33-R181 PolarHBondContact OD2-NH1 2.96Å; D33-R181 IonicContact OD2-NH2 3.27Å; D33-R181 PolarHBondContact OD2-NH2 3.38Å
34K95.8Very high94.3Very high6 Ų655.3 Ų55.33%0.02628%0.281CS..  trans-110.27.4-178.4-54.4-176.4-172.8-1750111.9E2 A17 D18 I20 Q32 L45 C46 V47E2-K34 HydrophobicContact CB-CD 4.47Å; E2-K34 WeakPolarHBondContact OE1-CD 3.47Å; E2-K34 WeakPolarHBondContact OE1-CE 3.4Å; E2-K34 IonicContact OE1-NZ 3.65Å; E2-K34 PolarHBondContact OE1-NZ 3.1Å; A17-K34 HydrophobicContact CB-CB 4.11Å; D18-K34 WeakPolarHBondContact O-CD 3.49Å; D18-K34 WeakPolarHBondContact O-CE 3.46Å; D18-K34 IonicContact OD1-NZ 3.87Å; D18-K34 PolarHBondContact OD1-NZ 2.81Å; D18-K34 IonicContact OD2-NZ 2.83Å; D18-K34 PolarHBondContact OD2-NZ 3.23Å; I20-K34 WeakPolarHBondContact O-CE 3.4Å; I20-K34 PolarHBondContact O-NZ 3.41Å; Q32-K34 HydrophobicContact CG-CG 4.39Å; K34-L45 WeakPolarHBondContact O-CA 3.33Å; K34-C46 PolarHBondContact O-N 2.81Å; K34-C46 VanDerWaalsContact O-N 3.11Å; K34-V47 HydrophobicContact CD-CG1 4.2Å
35M97.5Very high94.7Very high9 Ų950.1 Ų50.14%0.04425%0.245CC..EExtended strand (participates in β ladder)trans-110.6124.6-174.2-56.9-166.8-167.400110.5V15 A17 D33 L43 L44 L45 T179 R181V15-M35 HydrophobicContact CG2-CE 4.29Å; V15-M35 HydrophobicContact CG2-SD 4.03Å; A17-M35 HydrophobicContact CB-CE 3.74Å; A17-M35 HydrophobicContact CB-CG 4.4Å; A17-M35 VanDerWaalsContact N-CE 3.34Å; D33-M35 VanDerWaalsContact OD1-CB 3.29Å; D33-M35 WeakPolarHBondContact OD1-CB 3.42Å; D33-M35 PolarHBondContact OD1-N 3.35Å; M35-L43 HydrophobicContact CB-CD1 4.24Å; M35-L43 HydrophobicContact CB-CD2 3.84Å; M35-L43 HydrophobicContact CB-CG 4.26Å; M35-L43 HydrophobicContact CG-CD2 4.1Å; M35-L43 HydrophobicContact SD-CD1 4.41Å; M35-L43 HydrophobicContact SD-CD2 4Å; M35-L44 CarbonylContact C-O 3.54Å; M35-L44 WeakPolarHBondContact CA-O 3.15Å; M35-L45 HydrophobicContact CE-CD2 3.79Å; M35-L45 HydrophobicContact CG-CD2 3.83Å; M35-L45 HydrophobicContact CG-CG 3.89Å; M35-L45 HydrophobicContact SD-CD2 4.07Å; M35-L45 HydrophobicContact SD-CG 4.45Å; M35-T179 HydrophobicContact CE-CG2 4.11Å; M35-T179 WeakPolarHBondContact CE-O 3.25Å; M35-T179 HydrophobicContact SD-CG2 4.34Å; M35-R181 PolarHBondContact O-NH1 3.17Å; M35-R181 HydrophobicContact SD-CB 4.11Å; M35-R181 HydrophobicContact SD-CG 3.91Å
36F97.8Very high95Very high33 Ų3342.6 Ų42.615%0.14521%0.206CC..EExtended strand (participates in β ladder)trans-112.7122.4-177.4-59.5-96.4000109.8L38 L44 C46 A57F36-L38 PolarHBondContact O-N 2.72Å; F36-L44 HydrophobicContact CB-CB 4.5Å; F36-L44 PolarHBondContact N-O 2.86Å; F36-L44 PolarHBondContact O-N 3.21Å; F36-C46 HydrophobicContact CD2-CB 4.43Å; F36-C46 HydrophobicContact CE2-CB 4.11Å; F36-A57 HydrophobicContact CB-CB 4.46Å; F36-A57 HydrophobicContact CD1-CB 3.88Å; F36-A57 HydrophobicContact CD2-CB 3.45Å; F36-A57 VanDerWaalsContact CD2-CB 3.45Å; F36-A57 HydrophobicContact CE1-CB 3.89Å; F36-A57 HydrophobicContact CE2-CB 3.48Å; F36-A57 VanDerWaalsContact CE2-CB 3.48Å; F36-A57 HydrophobicContact CG-CB 3.67Å; F36-A57 HydrophobicContact CZ-CB 3.7Å
37K97.3Very high95.2Very high93 Ų9338 Ų3840%0.40418%0.183SC..EExtended strand (participates in β ladder)trans-73.7106.2175.6-177.3174.6176.9-174.80109.7S39 D40 Q61 I188K37-S39 WeakPolarHBondContact CE-O 3.16Å; K37-S39 WeakPolarHBondContact CG-O 3.36Å; K37-D40 WeakPolarHBondContact CE-OD1 3.36Å; K37-D40 IonicContact NZ-OD1 3.25Å; K37-D40 PolarHBondContact NZ-OD1 2.84Å; K37-Q61 WeakPolarHBondContact O-CG 3.27Å; K37-Q61 PolarHBondContact O-NE2 3.09Å; K37-I188 HydrophobicContact CD-CD1 4.07Å; K37-I188 HydrophobicContact CG-CD1 3.77Å
38L96.2Very high95.4Very high0 Ų036.4 Ų36.40%019%0.185CC..EExtended strand (participates in β ladder)trans-81.9-36.6179.3-60.9-175.4000112.2F36 I42 L44 I60 Q61 I64 Q65 L104F36-L38 PolarHBondContact O-N 2.72Å; L38-I42 HydrophobicContact CB-CB 4.18Å; L38-I42 HydrophobicContact CB-CG2 3.91Å; L38-I42 HydrophobicContact CD1-CG2 3.81Å; L38-I42 HydrophobicContact CG-CG2 4.29Å; L38-I42 PolarHBondContact N-O 2.89Å; L38-L44 HydrophobicContact CD1-CB 3.64Å; L38-L44 HydrophobicContact CD1-CD2 4.39Å; L38-L44 HydrophobicContact CD1-CG 4.46Å; L38-L44 HydrophobicContact CD2-CB 3.94Å; L38-L44 HydrophobicContact CD2-CD2 4.15Å; L38-L44 HydrophobicContact CG-CB 3.72Å; L38-I60 HydrophobicContact CD1-CG2 4.24Å; L38-I60 HydrophobicContact CD2-CG2 4.06Å; L38-Q61 HydrophobicContact CD2-CB 3.82Å; L38-Q61 HydrophobicContact CD2-CG 4.29Å; L38-I64 HydrophobicContact CB-CD1 4.05Å; L38-I64 HydrophobicContact CB-CG2 4.38Å; L38-I64 HydrophobicContact CD1-CD1 3.63Å; L38-I64 HydrophobicContact CD2-CD1 4.33Å; L38-I64 HydrophobicContact CG-CD1 4.22Å; L38-I64 WeakPolarHBondContact O-CG2 3.06Å; L38-Q65 PolarHBondContact O-NE2 3.3Å; L38-L104 HydrophobicContact CD1-CD1 3.89Å; L38-L104 HydrophobicContact CD1-CG 4.49Å
39S94Very high95.5Very high0 Ų036.3 Ų36.30%018%0.184CC..EExtended strand (participates in β ladder)trans-151.6-174.9177-120.50000109.8K37 K41 I42 E74K37-S39 WeakPolarHBondContact CE-O 3.16Å; K37-S39 WeakPolarHBondContact CG-O 3.36Å; S39-K41 PolarHBondContact O-N 2.84Å; S39-I42 PolarHBondContact N-O 3.47Å; S39-E74 PolarHBondContact OG-OE1 3.27Å; S39-E74 VanDerWaalsContact OG-OE1 3.09Å; S39-E74 PolarHBondContact OG-OE2 2.88Å
40D93.3Very high95.4Very high70 Ų7036.1 Ų36.137%0.37420%0.197SC..THydrogen-bonded Turntrans-65.4-29.1-179.6-68.4-36.2000113.1K37 K68 E74 I188K37-D40 WeakPolarHBondContact CE-OD1 3.36Å; K37-D40 IonicContact NZ-OD1 3.25Å; K37-D40 PolarHBondContact NZ-OD1 2.84Å; D40-K68 IonicContact OD2-NZ 2.77Å; D40-K68 PolarHBondContact OD2-NZ 3.22Å; D40-E74 WeakPolarHBondContact CB-OE1 3.02Å; D40-E74 PolarHBondContact N-OE1 2.98Å; D40-E74 PolarHBondContact N-OE2 3.03Å; D40-I188 WeakPolarHBondContact O-CG1 3.38Å
41K95.7Very high95.5Very high38 Ų3835.5 Ų35.517%0.16521%0.206CC..THydrogen-bonded Turntrans-120.516.2179.7-55.5-176.9-178.5-174.60114.3S39 G106 F107 E109 T185S39-K41 PolarHBondContact O-N 2.84Å; K41-G106 CarbonylContact O-C 3.59Å; K41-G106 WeakPolarHBondContact O-CA 3.43Å; K41-F107 WeakPolarHBondContact CB-O 3.49Å; K41-F107 PolarHBondContact O-N 3.25Å; K41-E109 IonicContact NZ-OE1 2.65Å; K41-E109 PolarHBondContact NZ-OE1 3.31Å; K41-T185 WeakPolarHBondContact CE-O 3.27Å; K41-T185 PolarHBondContact NZ-O 3.07Å
42I97.6Very high95.7Very high3 Ų332.7 Ų32.72%0.01519%0.191CC..EExtended strand (participates in β ladder)trans-132.4130.6-178.1-56.2177.2000111L38 S39 L75 P77 A80 L104L38-I42 HydrophobicContact CB-CB 4.18Å; L38-I42 HydrophobicContact CB-CG2 3.91Å; L38-I42 HydrophobicContact CD1-CG2 3.81Å; L38-I42 HydrophobicContact CG-CG2 4.29Å; L38-I42 PolarHBondContact N-O 2.89Å; S39-I42 PolarHBondContact N-O 3.47Å; I42-L75 WeakPolarHBondContact CD1-O 3.1Å; I42-P77 HydrophobicContact CD1-CG 4.3Å; I42-P77 HydrophobicContact CG1-CG 4.14Å; I42-A80 HydrophobicContact CD1-CB 3.97Å; I42-A80 HydrophobicContact CG2-CB 4.41Å; I42-L104 HydrophobicContact CG2-CD1 4.37Å; I42-L104 HydrophobicContact CG2-CD2 3.91Å; I42-L104 HydrophobicContact CG2-CG 4.11Å
43L98.1Very high95.8Very high1 Ų130.7 Ų30.71%0.00518%0.183CC..EExtended strand (participates in β ladder)trans-131.4134.5-178.6-171.1144.2000110.9V15 M35 L45 A105 R181 I183 I188V15-L43 HydrophobicContact CG2-CD2 4.01Å; M35-L43 HydrophobicContact CB-CD1 4.24Å; M35-L43 HydrophobicContact CB-CD2 3.84Å; M35-L43 HydrophobicContact CB-CG 4.26Å; M35-L43 HydrophobicContact CG-CD2 4.1Å; M35-L43 HydrophobicContact SD-CD1 4.41Å; M35-L43 HydrophobicContact SD-CD2 4Å; L43-L45 HydrophobicContact CD2-CD1 3.35Å; L43-L45 HydrophobicContact CD2-CG 3.72Å; L43-A105 PolarHBondContact N-O 2.79Å; L43-A105 PolarHBondContact O-N 2.88Å; L43-A105 VanDerWaalsContact O-O 3.1Å; L43-R181 HydrophobicContact CD1-CB 4.4Å; L43-I183 HydrophobicContact CB-CD1 4.11Å; L43-I183 HydrophobicContact CB-CG1 4.5Å; L43-I188 HydrophobicContact CB-CD1 4.24Å; L43-I188 HydrophobicContact CD1-CD1 4.3Å; L43-I188 HydrophobicContact CD1-CG2 3.85Å
44L98.3Very high95.9Very high0 Ų030.5 Ų30.50%018%0.184CC..EExtended strand (participates in β ladder)trans-112123178.4-179.469.3000109.4M35 F36 L38 A57 I60 L102 L104M35-L44 CarbonylContact C-O 3.54Å; M35-L44 WeakPolarHBondContact CA-O 3.15Å; F36-L44 HydrophobicContact CB-CB 4.5Å; F36-L44 PolarHBondContact N-O 2.86Å; F36-L44 PolarHBondContact O-N 3.21Å; L38-L44 HydrophobicContact CD1-CB 3.64Å; L38-L44 HydrophobicContact CD1-CD2 4.39Å; L38-L44 HydrophobicContact CD1-CG 4.46Å; L38-L44 HydrophobicContact CD2-CB 3.94Å; L38-L44 HydrophobicContact CD2-CD2 4.15Å; L38-L44 HydrophobicContact CG-CB 3.72Å; L44-A57 HydrophobicContact CD2-CB 4.22Å; L44-I60 HydrophobicContact CD2-CB 4.47Å; L44-I60 HydrophobicContact CD2-CG2 4.33Å; L44-L102 HydrophobicContact CD1-CB 4.1Å; L44-L102 HydrophobicContact CD1-CD2 4.22Å; L44-L104 HydrophobicContact CD1-CB 4.14Å; L44-L104 HydrophobicContact CD1-CD1 4.43Å
45L98.3Very high95.9Very high0 Ų035.9 Ų35.90%021%0.209CC..EExtended strand (participates in β ladder)trans-100.1133.2170.5-57.691.3000108.3L4 V15 A17 K34 M35 L43 L102 L103L4-L45 HydrophobicContact CD1-CB 3.69Å; L4-L45 HydrophobicContact CD2-CB 3.93Å; L4-L45 HydrophobicContact CD2-CD2 4.04Å; L4-L45 HydrophobicContact CG-CB 4.35Å; V15-L45 HydrophobicContact CB-CD1 3.95Å; V15-L45 HydrophobicContact CB-CD2 3.96Å; V15-L45 HydrophobicContact CG1-CD1 3.89Å; V15-L45 HydrophobicContact CG2-CD1 4.15Å; V15-L45 HydrophobicContact CG2-CD2 4.31Å; A17-L45 HydrophobicContact CB-CD2 4.24Å; K34-L45 WeakPolarHBondContact O-CA 3.33Å; M35-L45 HydrophobicContact CE-CD2 3.79Å; M35-L45 HydrophobicContact CG-CD2 3.83Å; M35-L45 HydrophobicContact CG-CG 3.89Å; M35-L45 HydrophobicContact SD-CD2 4.07Å; M35-L45 HydrophobicContact SD-CG 4.45Å; L43-L45 HydrophobicContact CD2-CD1 3.35Å; L43-L45 HydrophobicContact CD2-CG 3.72Å; L45-L102 VanDerWaalsContact O-CA 3.26Å; L45-L102 WeakPolarHBondContact O-CA 3.42Å; L45-L103 HydrophobicContact CB-CB 4.23Å; L45-L103 HydrophobicContact CD1-CB 4.02Å; L45-L103 WeakPolarHBondContact CD1-O 3.44Å; L45-L103 PolarHBondContact N-O 3.5Å; L45-L103 PolarHBondContact O-N 2.88Å
46C96.8Very high95.9Very high3 Ų335.4 Ų35.42%0.0221%0.206CC..EExtended strand (participates in β ladder)trans-131.8130.3-174.8-171.30000111.5K34 F36 T53 A57 L102K34-C46 PolarHBondContact O-N 2.81Å; K34-C46 VanDerWaalsContact O-N 3.11Å; F36-C46 HydrophobicContact CD2-CB 4.43Å; F36-C46 HydrophobicContact CE2-CB 4.11Å; C46-T53 VanDerWaalsContact SG-CA 3.51Å; C46-T53 VanDerWaalsContact SG-CB 3.6Å; C46-A57 HydrophobicContact CB-CB 4.28Å; C46-L102 HydrophobicContact CB-CD2 3.68Å; C46-L102 WeakPolarHBondContact SG-CD2 3.45Å
47V96.3Very high95.9Very high6 Ų633.9 Ų33.94%0.03620%0.2CC..EExtended strand (participates in β ladder)trans-138150.9174.3-68.70000111.1E2 L4 K34 T53 V100 N101 H132E2-V47 HydrophobicContact CB-CB 3.91Å; E2-V47 HydrophobicContact CB-CG1 3.44Å; E2-V47 VanDerWaalsContact CB-CG1 3.44Å; E2-V47 HydrophobicContact CG-CG1 4.3Å; E2-V47 VanDerWaalsContact OE2-CA 3.23Å; E2-V47 WeakPolarHBondContact OE2-CA 3.47Å; E2-V47 VanDerWaalsContact OE2-CB 3.28Å; E2-V47 WeakPolarHBondContact OE2-CB 3.47Å; E2-V47 WeakPolarHBondContact OE2-CG1 3.32Å; L4-V47 HydrophobicContact CD1-CB 4.22Å; L4-V47 HydrophobicContact CD1-CG1 3.72Å; L4-V47 HydrophobicContact CD1-CG2 3.64Å; L4-V47 HydrophobicContact CD2-CG1 3.59Å; L4-V47 HydrophobicContact CG-CB 4.32Å; L4-V47 HydrophobicContact CG-CG1 3.45Å; L4-V47 VanDerWaalsContact CG-CG1 3.45Å; L4-V47 HydrophobicContact CG-CG2 3.94Å; K34-V47 HydrophobicContact CD-CG1 4.2Å; V47-T53 VanDerWaalsContact C-CG2 3.43Å; V47-V100 CarbonylContact O-C 3.58Å; V47-V100 WeakPolarHBondContact O-CA 3.28Å; V47-N101 HydrophobicContact CG2-CB 4.12Å; V47-N101 PolarHBondContact N-O 3.16Å; V47-N101 PolarHBondContact O-N 2.99Å; V47-H132 HydrophobicContact CG2-CB 3.96Å
48G95.2Very high95.9Very high37 Ų3732.6 Ų32.638%0.38120%0.195SC..EExtended strand (participates in β ladder)trans148.4-144.7-176.400000113.3E2 T53 H99E2-G48 PolarHBondContact OE2-N 3.46Å; G48-T53 VanDerWaalsContact N-CG2 3.29Å; G48-H99 WeakPolarHBondContact CA-O 3.37Å
49E94.8Very high96Very high120 Ų12036.3 Ų36.356%0.56121%0.21SC*.SBendtrans-66.6130.5177.4-174.959.7-153.600110.6G51 D52 T53 H99E49-G51 VanDerWaalsContact C-N 3.32Å; E49-G51 PolarHBondContact O-N 2.85Å; E49-G51 VanDerWaalsContact O-N 3.17Å; E49-D52 HydrophobicContact CB-CB 4.15Å; E49-D52 PolarHBondContact O-N 2.83Å; E49-T53 WeakPolarHBondContact O-CG2 3.09Å; E49-T53 PolarHBondContact O-N 3.23Å; E49-H99 HydrophobicContact CB-CB 4.03Å; E49-H99 PolarHBondContact N-O 2.81Å
50A89.9Confident96.2Very high77 Ų7736.3 Ų36.364%0.63621%0.21SC*.Hα-helixtrans-58.8-37.6-163.800000114.4T53A50-T53 PolarHBondContact O-OG1 3.28Å
51G92.5Very high96.4Very high44 Ų4435.6 Ų35.645%0.45420%0.204SC..Hα-helixtrans-75.6-36.8176.800000112.9E49 Q55E49-G51 VanDerWaalsContact C-N 3.32Å; E49-G51 PolarHBondContact O-N 2.85Å; E49-G51 VanDerWaalsContact O-N 3.17Å; G51-Q55 WeakPolarHBondContact O-CB 3.39Å; G51-Q55 WeakPolarHBondContact O-CG 3.41Å; G51-Q55 PolarHBondContact O-N 3.39Å
52D96.3Very high96.5Very high37 Ų3739.7 Ų39.720%0.19822%0.222CC..Hα-helixtrans-71.8-38.3-175.3-72.2-6.2000111.9E49 V54 Q55 F56 Y98 H99 V100E49-D52 HydrophobicContact CB-CB 4.15Å; E49-D52 PolarHBondContact O-N 2.83Å; D52-V54 PolarHBondContact O-N 3.11Å; D52-Q55 PolarHBondContact O-N 3.33Å; D52-F56 WeakPolarHBondContact O-CB 3.45Å; D52-F56 PolarHBondContact O-N 3.25Å; D52-Y98 HydrophobicContact CB-CD1 3.86Å; D52-Y98 WeakPolarHBondContact OD2-CA 3.39Å; D52-H99 PolarHBondContact OD2-N 3.25Å; D52-V100 HydrophobicContact CB-CG1 3.78Å
53T95.6Very high96.5Very high13 Ų1342 Ų428%0.0823%0.234CC..Hα-helixtrans-58.4-52.3-175.552.10000112.3C46 V47 G48 E49 A50 A57 V100C46-T53 VanDerWaalsContact SG-CA 3.51Å; C46-T53 VanDerWaalsContact SG-CB 3.6Å; V47-T53 VanDerWaalsContact C-CG2 3.43Å; G48-T53 VanDerWaalsContact N-CG2 3.29Å; E49-T53 WeakPolarHBondContact O-CG2 3.09Å; E49-T53 PolarHBondContact O-N 3.23Å; A50-T53 PolarHBondContact O-OG1 3.28Å; T53-A57 WeakPolarHBondContact O-CB 3.42Å; T53-A57 PolarHBondContact O-N 3.18Å; T53-V100 HydrophobicContact CG2-CG1 3.98Å
54V96Very high96.4Very high51 Ų5142.1 Ų42.131%0.30924%0.235SC..Hα-helixtrans-68.7-46.7-179-178.60000110.6D52 F56 A57 E58D52-V54 PolarHBondContact O-N 3.11Å; V54-F56 PolarHBondContact O-N 3.42Å; V54-A57 PolarHBondContact O-N 2.86Å; V54-E58 HydrophobicContact CG1-CG 4.36Å; V54-E58 WeakPolarHBondContact O-CB 3.44Å; V54-E58 WeakPolarHBondContact O-CG 3.17Å; V54-E58 PolarHBondContact O-N 2.75Å
55Q97Very high96.4Very high118 Ų11844.5 Ų44.555%0.55125%0.246SC*.Hα-helixtrans-61.7-45.5-177.6-70.6-67.99800111.9G51 D52 Y59G51-Q55 WeakPolarHBondContact O-CB 3.39Å; G51-Q55 WeakPolarHBondContact O-CG 3.41Å; G51-Q55 PolarHBondContact O-N 3.39Å; D52-Q55 PolarHBondContact O-N 3.33Å; Q55-Y59 VanDerWaalsContact O-CB 3.25Å; Q55-Y59 WeakPolarHBondContact O-CB 3.38Å; Q55-Y59 PolarHBondContact O-N 2.95Å
56F97.4Very high96.3Very high0 Ų048.3 Ų48.30%027%0.266CS..Hα-helixtrans-69.8-44.6179.4-173.2-101.2000111.6D52 V54 E58 Y59 I60 T84 N87 L88 Y98 V100 L102D52-F56 WeakPolarHBondContact O-CB 3.45Å; D52-F56 PolarHBondContact O-N 3.25Å; V54-F56 PolarHBondContact O-N 3.42Å; F56-E58 PolarHBondContact O-N 2.96Å; F56-Y59 WeakPolarHBondContact O-CB 3.22Å; F56-Y59 PolarHBondContact O-N 2.92Å; F56-I60 HydrophobicContact CD1-CG1 4.18Å; F56-I60 HydrophobicContact CE1-CD1 4.33Å; F56-I60 HydrophobicContact CE1-CG1 3.75Å; F56-I60 HydrophobicContact CE2-CD1 4.28Å; F56-I60 HydrophobicContact CE2-CG1 4.28Å; F56-I60 HydrophobicContact CZ-CD1 3.9Å; F56-I60 HydrophobicContact CZ-CG1 3.82Å; F56-I60 WeakPolarHBondContact O-CG1 3.16Å; F56-I60 PolarHBondContact O-N 3.08Å; F56-T84 HydrophobicContact CE1-CG2 3.83Å; F56-T84 HydrophobicContact CZ-CG2 4.14Å; F56-N87 HydrophobicContact CE2-CB 4.27Å; F56-N87 HydrophobicContact CZ-CB 4.42Å; F56-L88 HydrophobicContact CE1-CD1 4.33Å; F56-L88 HydrophobicContact CE2-CB 4.43Å; F56-L88 HydrophobicContact CE2-CD1 4.19Å; F56-L88 HydrophobicContact CZ-CB 3.88Å; F56-L88 HydrophobicContact CZ-CD1 4Å; F56-L88 HydrophobicContact CZ-CG 4.48Å; F56-Y98 HydrophobicContact CB-CD1 4.1Å; F56-Y98 HydrophobicContact CB-CE1 4.31Å; F56-Y98 HydrophobicContact CB-CG 4.23Å; F56-Y98 HydrophobicContact CD2-CD1 4.42Å; F56-Y98 AromaticContact CD2-CD2 3.42Å; F56-Y98 HydrophobicContact CD2-CD2 3.42Å; F56-Y98 VanDerWaalsContact CD2-CD2 3.42Å; F56-Y98 AromaticContact CD2-CE2 3.69Å; F56-Y98 HydrophobicContact CD2-CE2 3.69Å; F56-Y98 AromaticContact CD2-CG 3.83Å; F56-Y98 HydrophobicContact CD2-CG 3.83Å; F56-Y98 AromaticContact CE2-CD2 3.98Å; F56-Y98 HydrophobicContact CE2-CD2 3.98Å; F56-Y98 HydrophobicContact CE2-CE2 4.35Å; F56-Y98 HydrophobicContact CG-CD2 4.32Å; F56-Y98 HydrophobicContact CG-CG 4.29Å; F56-V100 HydrophobicContact CD1-CG2 3.84Å; F56-V100 HydrophobicContact CE1-CG2 4.28Å; F56-V100 HydrophobicContact CG-CG2 4.24Å; F56-L102 HydrophobicContact CD1-CD1 4.24Å; F56-L102 HydrophobicContact CD1-CD2 4.48Å; F56-L102 HydrophobicContact CE1-CD1 3.65Å
57A97.4Very high96.3Very high0 Ų051.8 Ų51.80%028%0.279CS..Hα-helixtrans-61.8-45.3179.600000112.1F36 L44 C46 T53 V54 I60 Q61F36-A57 HydrophobicContact CB-CB 4.46Å; F36-A57 HydrophobicContact CD1-CB 3.88Å; F36-A57 HydrophobicContact CD2-CB 3.45Å; F36-A57 VanDerWaalsContact CD2-CB 3.45Å; F36-A57 HydrophobicContact CE1-CB 3.89Å; F36-A57 HydrophobicContact CE2-CB 3.48Å; F36-A57 VanDerWaalsContact CE2-CB 3.48Å; F36-A57 HydrophobicContact CG-CB 3.67Å; F36-A57 HydrophobicContact CZ-CB 3.7Å; L44-A57 HydrophobicContact CD2-CB 4.22Å; C46-A57 HydrophobicContact CB-CB 4.28Å; T53-A57 WeakPolarHBondContact O-CB 3.42Å; T53-A57 PolarHBondContact O-N 3.18Å; V54-A57 PolarHBondContact O-N 2.86Å; A57-I60 PolarHBondContact O-N 3.02Å; A57-Q61 VanDerWaalsContact O-CB 3.32Å; A57-Q61 WeakPolarHBondContact O-CB 3.28Å; A57-Q61 PolarHBondContact O-N 2.83Å
58E97.6Very high96.3Very high66 Ų6654.1 Ų54.131%0.30829%0.289SS..Hα-helixtrans-65.3-38.3175.8-75.7-166.7-164.500112.7V54 F56 I60 Q61 K62V54-E58 HydrophobicContact CG1-CG 4.36Å; V54-E58 WeakPolarHBondContact O-CB 3.44Å; V54-E58 WeakPolarHBondContact O-CG 3.17Å; V54-E58 PolarHBondContact O-N 2.75Å; F56-E58 PolarHBondContact O-N 2.96Å; E58-I60 VanDerWaalsContact C-N 3.34Å; E58-Q61 PolarHBondContact O-N 2.86Å; E58-K62 WeakPolarHBondContact O-CB 3.26Å; E58-K62 VanDerWaalsContact O-CG 3.26Å; E58-K62 WeakPolarHBondContact O-CG 3.49Å; E58-K62 PolarHBondContact O-N 2.8Å; E58-K62 IonicContact OE2-NZ 3.3Å; E58-K62 PolarHBondContact OE2-NZ 3.04Å
59Y97.8Very high96.4Very high79 Ų7959.5 Ų59.531%0.3131%0.306SS..Hα-helixtrans-58.6-48.1175.4170.1-98000110.9Q55 F56 N63 N87Q55-Y59 VanDerWaalsContact O-CB 3.25Å; Q55-Y59 WeakPolarHBondContact O-CB 3.38Å; Q55-Y59 PolarHBondContact O-N 2.95Å; F56-Y59 WeakPolarHBondContact O-CB 3.22Å; F56-Y59 PolarHBondContact O-N 2.92Å; Y59-N63 WeakPolarHBondContact CE2-ND2 3.44Å; Y59-N63 PolarHBondContact O-N 3.36Å; Y59-N63 PolarHBondContact O-ND2 3.03Å; Y59-N87 HydrophobicContact CE1-CB 4.27Å; Y59-N87 WeakPolarHBondContact CE1-OD1 3.37Å; Y59-N87 PolarHBondContact OH-OD1 2.69Å
60I98.1Very high96.5Very high0 Ų062.5 Ų62.50%031%0.312CS..Hα-helixtrans-64.6-45.6177.4-65-60.2000110.9L38 L44 F56 A57 E58 K62 N63 I64 F83 T84 N87L38-I60 HydrophobicContact CD1-CG2 4.24Å; L38-I60 HydrophobicContact CD2-CG2 4.06Å; L44-I60 HydrophobicContact CD2-CB 4.47Å; L44-I60 HydrophobicContact CD2-CG2 4.33Å; F56-I60 HydrophobicContact CD1-CG1 4.18Å; F56-I60 HydrophobicContact CE1-CD1 4.33Å; F56-I60 HydrophobicContact CE1-CG1 3.75Å; F56-I60 HydrophobicContact CE2-CD1 4.28Å; F56-I60 HydrophobicContact CE2-CG1 4.28Å; F56-I60 HydrophobicContact CZ-CD1 3.9Å; F56-I60 HydrophobicContact CZ-CG1 3.82Å; F56-I60 WeakPolarHBondContact O-CG1 3.16Å; F56-I60 PolarHBondContact O-N 3.08Å; A57-I60 PolarHBondContact O-N 3.02Å; E58-I60 VanDerWaalsContact C-N 3.34Å; I60-K62 PolarHBondContact O-N 2.62Å; I60-N63 PolarHBondContact O-N 3.12Å; I60-I64 HydrophobicContact CG2-CD1 3.69Å; I60-I64 HydrophobicContact CG2-CG1 4.42Å; I60-I64 WeakPolarHBondContact O-CG1 3.44Å; I60-I64 PolarHBondContact O-N 3.48Å; I60-F83 HydrophobicContact CD1-CD1 4.23Å; I60-F83 HydrophobicContact CD1-CE1 3.88Å; I60-T84 HydrophobicContact CD1-CG2 4.38Å; I60-T84 HydrophobicContact CG1-CG2 4.24Å; I60-T84 WeakPolarHBondContact CG2-OG1 3.3Å; I60-N87 HydrophobicContact CD1-CB 4.01Å
61Q97.7Very high96.8Very high54 Ų5462.1 Ų62.125%0.25230%0.299SS..Hα-helixtrans-55.5-50.7178.6-173.8-177.725.400112K37 L38 A57 E58 N63 I64 Q65K37-Q61 WeakPolarHBondContact O-CG 3.27Å; K37-Q61 PolarHBondContact O-NE2 3.09Å; L38-Q61 HydrophobicContact CD2-CB 3.82Å; L38-Q61 HydrophobicContact CD2-CG 4.29Å; A57-Q61 VanDerWaalsContact O-CB 3.32Å; A57-Q61 WeakPolarHBondContact O-CB 3.28Å; A57-Q61 PolarHBondContact O-N 2.83Å; E58-Q61 PolarHBondContact O-N 2.86Å; Q61-N63 VanDerWaalsContact C-N 3.34Å; Q61-N63 PolarHBondContact O-N 3.4Å; Q61-I64 PolarHBondContact O-N 3.37Å; Q61-Q65 WeakPolarHBondContact O-CB 3.37Å; Q61-Q65 WeakPolarHBondContact O-CG 3.38Å; Q61-Q65 PolarHBondContact O-N 3.31Å
62K97.8Very high96.9Very high125 Ų12563.4 Ų63.454%0.54331%0.312SS..Hα-helixtrans-63.8-38.8-178.3-70.7167.3-171.9162.10111.9E58 I60 L66E58-K62 WeakPolarHBondContact O-CB 3.26Å; E58-K62 VanDerWaalsContact O-CG 3.26Å; E58-K62 WeakPolarHBondContact O-CG 3.49Å; E58-K62 PolarHBondContact O-N 2.8Å; E58-K62 IonicContact OE2-NZ 3.3Å; E58-K62 PolarHBondContact OE2-NZ 3.04Å; I60-K62 PolarHBondContact O-N 2.62Å; K62-L66 VanDerWaalsContact O-CB 3.28Å; K62-L66 WeakPolarHBondContact O-CB 3.29Å; K62-L66 PolarHBondContact O-N 2.74Å
63N97.8Very high96.7Very high52 Ų5267.9 Ų67.928%0.27833%0.327SS..Hα-helixtrans-68.6-39.4177.6-81.3-78.7000112.9Y59 I60 Q61 L66 Y67 F83Y59-N63 WeakPolarHBondContact CE2-ND2 3.44Å; Y59-N63 PolarHBondContact O-N 3.36Å; Y59-N63 PolarHBondContact O-ND2 3.03Å; I60-N63 PolarHBondContact O-N 3.12Å; Q61-N63 VanDerWaalsContact C-N 3.34Å; Q61-N63 PolarHBondContact O-N 3.4Å; N63-L66 PolarHBondContact O-N 3.12Å; N63-Y67 PolarHBondContact O-N 3.28Å; N63-F83 HydrophobicContact CB-CE1 3.85Å; N63-F83 HydrophobicContact CB-CZ 3.71Å
64I97Very high96.5Very high2 Ų269.8 Ų69.81%0.0134%0.335CS..Hα-helixtrans-68-42.2177-68.7174.3000110.8L38 I60 Q61 Y67 K68 L75 A80 F83L38-I64 HydrophobicContact CB-CD1 4.05Å; L38-I64 HydrophobicContact CB-CG2 4.38Å; L38-I64 HydrophobicContact CD1-CD1 3.63Å; L38-I64 HydrophobicContact CD2-CD1 4.33Å; L38-I64 HydrophobicContact CG-CD1 4.22Å; L38-I64 WeakPolarHBondContact O-CG2 3.06Å; I60-I64 HydrophobicContact CG2-CD1 3.69Å; I60-I64 HydrophobicContact CG2-CG1 4.42Å; I60-I64 WeakPolarHBondContact O-CG1 3.44Å; I60-I64 PolarHBondContact O-N 3.48Å; Q61-I64 PolarHBondContact O-N 3.37Å; I64-Y67 WeakPolarHBondContact O-CB 3.42Å; I64-Y67 PolarHBondContact O-N 2.95Å; I64-K68 PolarHBondContact O-N 2.94Å; I64-L75 HydrophobicContact CG1-CD1 4.15Å; I64-L75 HydrophobicContact CG2-CD1 4.39Å; I64-A80 HydrophobicContact CD1-CB 4Å; I64-F83 HydrophobicContact CG1-CD1 4.3Å; I64-F83 HydrophobicContact CG1-CE1 4.48Å
65Q96.6Very high96.5Very high50 Ų5068.7 Ų68.723%0.23433%0.328CS..Hα-helixtrans-63.5-41.7174.8-71.3-65.8-25.900111.9L38 Q61 Y67 K68 M69L38-Q65 PolarHBondContact O-NE2 3.3Å; Q61-Q65 WeakPolarHBondContact O-CB 3.37Å; Q61-Q65 WeakPolarHBondContact O-CG 3.38Å; Q61-Q65 PolarHBondContact O-N 3.31Å; Q65-Y67 VanDerWaalsContact C-N 3.3Å; Q65-Y67 PolarHBondContact O-N 2.97Å; Q65-K68 WeakPolarHBondContact O-CB 3.2Å; Q65-K68 PolarHBondContact O-N 2.9Å; Q65-M69 WeakPolarHBondContact O-CG 3.39Å; Q65-M69 PolarHBondContact O-N 3.25Å
66L97.6Very high96.4Very high80 Ų8064.8 Ų64.842%0.41931%0.313SS..Hα-helixtrans-60.6-39.8173.7178.561.7000111.9K62 N63 M69 R70K62-L66 VanDerWaalsContact O-CB 3.28Å; K62-L66 WeakPolarHBondContact O-CB 3.29Å; K62-L66 PolarHBondContact O-N 2.74Å; N63-L66 PolarHBondContact O-N 3.12Å; L66-M69 PolarHBondContact O-N 2.93Å; L66-R70 WeakPolarHBondContact O-CB 2.95Å; L66-R70 PolarHBondContact O-N 3.32Å
67Y97.1Very high96.4Very high76 Ų7665.1 Ų65.130%0.29832%0.315SS..Hα-helixtrans-60.9-45.6175.2-175.4-81.7000111.4N63 I64 Q65 M69 R70 N71 Y73 L75N63-Y67 PolarHBondContact O-N 3.28Å; I64-Y67 WeakPolarHBondContact O-CB 3.42Å; I64-Y67 PolarHBondContact O-N 2.95Å; Q65-Y67 VanDerWaalsContact C-N 3.3Å; Q65-Y67 PolarHBondContact O-N 2.97Å; Y67-M69 PolarHBondContact O-N 2.85Å; Y67-R70 PolarHBondContact O-N 2.82Å; Y67-N71 VanDerWaalsContact CD2-ND2 3.35Å; Y67-N71 WeakPolarHBondContact CD2-ND2 3.28Å; Y67-N71 HydrophobicContact CE1-CB 4.29Å; Y67-N71 VanDerWaalsContact CE2-ND2 3.34Å; Y67-N71 WeakPolarHBondContact CE2-ND2 3.33Å; Y67-N71 PolarHBondContact O-N 3.02Å; Y67-N71 PolarHBondContact O-ND2 2.93Å; Y67-Y73 HydrophobicContact CE1-CD2 4.32Å; Y67-Y73 AromaticContact CE1-CE2 3.76Å; Y67-Y73 HydrophobicContact CE1-CE2 3.76Å; Y67-Y73 PolarHBondContact OH-OH 3.01Å; Y67-L75 HydrophobicContact CD1-CD1 4.19Å; Y67-L75 HydrophobicContact CD1-CD2 3.69Å; Y67-L75 HydrophobicContact CD1-CG 3.58Å; Y67-L75 HydrophobicContact CD2-CD2 4.36Å; Y67-L75 HydrophobicContact CE1-CD2 3.33Å; Y67-L75 HydrophobicContact CE1-CG 3.74Å; Y67-L75 HydrophobicContact CE2-CD2 4.05Å; Y67-L75 HydrophobicContact CG-CD1 4.19Å; Y67-L75 HydrophobicContact CG-CD2 4.19Å; Y67-L75 HydrophobicContact CG-CG 4.08Å
68K95.4Very high96.4Very high56 Ų5670.6 Ų70.624%0.24334%0.339CS..Hα-helixtrans-58-48.6175.8-177.1-176.4-178172.60111.3D40 I64 Q65 R70 G72 Y73 E74D40-K68 IonicContact OD2-NZ 2.77Å; D40-K68 PolarHBondContact OD2-NZ 3.22Å; I64-K68 PolarHBondContact O-N 2.94Å; Q65-K68 WeakPolarHBondContact O-CB 3.2Å; Q65-K68 PolarHBondContact O-N 2.9Å; K68-R70 VanDerWaalsContact C-N 3.33Å; K68-R70 PolarHBondContact O-N 2.95Å; K68-G72 WeakPolarHBondContact O-CA 3.4Å; K68-G72 PolarHBondContact O-N 3.27Å; K68-Y73 WeakPolarHBondContact CA-O 3.4Å; K68-E74 HydrophobicContact CD-CG 3.83Å; K68-E74 VanDerWaalsContact CE-OE1 3.28Å; K68-E74 WeakPolarHBondContact CE-OE1 3.39Å; K68-E74 HydrophobicContact CG-CG 4.16Å; K68-E74 IonicContact NZ-OE1 2.83Å; K68-E74 PolarHBondContact NZ-OE1 3.48Å
69M96.4Very high96.3Very high149 Ų14969.2 Ų69.273%0.73434%0.339SS*.Hα-helixtrans-63.5-36.7179.6-68176.5-177.600113Q65 L66 Y67Q65-M69 WeakPolarHBondContact O-CG 3.39Å; Q65-M69 PolarHBondContact O-N 3.25Å; L66-M69 PolarHBondContact O-N 2.93Å; Y67-M69 PolarHBondContact O-N 2.85Å
70R97.5Very high96.3Very high184 Ų18465.5 Ų65.569%0.69432%0.324SS*.Hα-helixtrans-75.5-39.4-178-174.3178.4-61.2177.61.9113L66 Y67 K68L66-R70 WeakPolarHBondContact O-CB 2.95Å; L66-R70 PolarHBondContact O-N 3.32Å; Y67-R70 PolarHBondContact O-N 2.82Å; K68-R70 VanDerWaalsContact C-N 3.33Å; K68-R70 PolarHBondContact O-N 2.95Å
71N96.4Very high96.3Very high69 Ų6965.5 Ų65.537%0.36932%0.324SS..Hα-helixtrans-103-15.8-171.6-58.7-75.4000113.7Y67 Y73Y67-N71 VanDerWaalsContact CD2-ND2 3.35Å; Y67-N71 WeakPolarHBondContact CD2-ND2 3.28Å; Y67-N71 HydrophobicContact CE1-CB 4.29Å; Y67-N71 VanDerWaalsContact CE2-ND2 3.34Å; Y67-N71 WeakPolarHBondContact CE2-ND2 3.33Å; Y67-N71 PolarHBondContact O-N 3.02Å; Y67-N71 PolarHBondContact O-ND2 2.93Å; N71-Y73 VanDerWaalsContact C-N 3.32Å; N71-Y73 HydrophobicContact CB-CD1 3.87Å; N71-Y73 HydrophobicContact CB-CE1 3.56Å; N71-Y73 WeakPolarHBondContact O-CD1 3.48Å
72G93.8Very high96.3Very high70 Ų7066 Ų6672%0.72233%0.329SS*.SBendtrans80.36.2-179.400000115K68K68-G72 WeakPolarHBondContact O-CA 3.4Å; K68-G72 PolarHBondContact O-N 3.27Å
73Y92.3Very high96.3Very high132 Ų13263.1 Ų63.152%0.51832%0.317SS..SBendtrans-141.1156.217764.1-93.1000111.9Y67 K68 N71Y67-Y73 HydrophobicContact CE1-CD2 4.32Å; Y67-Y73 AromaticContact CE1-CE2 3.76Å; Y67-Y73 HydrophobicContact CE1-CE2 3.76Å; Y67-Y73 PolarHBondContact OH-OH 3.01Å; K68-Y73 WeakPolarHBondContact CA-O 3.4Å; N71-Y73 VanDerWaalsContact C-N 3.32Å; N71-Y73 HydrophobicContact CB-CD1 3.87Å; N71-Y73 HydrophobicContact CB-CE1 3.56Å; N71-Y73 WeakPolarHBondContact O-CD1 3.48Å
74E92.4Very high96.3Very high53 Ų5360.7 Ų60.725%0.24830%0.303CS..PPolyproline II helixtrans-81.4150179.3-57.8-158.5149.900112.3S39 D40 K68S39-E74 PolarHBondContact OG-OE1 3.27Å; S39-E74 VanDerWaalsContact OG-OE1 3.09Å; S39-E74 PolarHBondContact OG-OE2 2.88Å; D40-E74 WeakPolarHBondContact CB-OE1 3.02Å; D40-E74 PolarHBondContact N-OE1 2.98Å; D40-E74 PolarHBondContact N-OE2 3.03Å; K68-E74 HydrophobicContact CD-CG 3.83Å; K68-E74 VanDerWaalsContact CE-OE1 3.28Å; K68-E74 WeakPolarHBondContact CE-OE1 3.39Å; K68-E74 HydrophobicContact CG-CG 4.16Å; K68-E74 IonicContact NZ-OE1 2.83Å; K68-E74 PolarHBondContact NZ-OE1 3.48Å
75L94.6Very high96.4Very high28 Ų2864.9 Ų64.915%0.14732%0.319CS..PPolyproline II helixtrans-69.4146.2168.9-71.9171.9000109.9I42 I64 Y67 A79I42-L75 WeakPolarHBondContact CD1-O 3.1Å; I64-L75 HydrophobicContact CG1-CD1 4.15Å; I64-L75 HydrophobicContact CG2-CD1 4.39Å; Y67-L75 HydrophobicContact CD1-CD1 4.19Å; Y67-L75 HydrophobicContact CD1-CD2 3.69Å; Y67-L75 HydrophobicContact CD1-CG 3.58Å; Y67-L75 HydrophobicContact CD2-CD2 4.36Å; Y67-L75 HydrophobicContact CE1-CD2 3.33Å; Y67-L75 HydrophobicContact CE1-CG 3.74Å; Y67-L75 HydrophobicContact CE2-CD2 4.05Å; Y67-L75 HydrophobicContact CG-CD1 4.19Å; Y67-L75 HydrophobicContact CG-CD2 4.19Å; Y67-L75 HydrophobicContact CG-CG 4.08Å; L75-A79 HydrophobicContact CB-CB 4.33Å; L75-A79 HydrophobicContact CD2-CB 4.07Å
76S96Very high96.4Very high36 Ų3668.5 Ų68.525%0.25233%0.334SS..PPolyproline II helixtrans-67.2154.3166.868.70000110.9K78 A79 A80 D108S76-K78 PolarHBondContact O-N 3.02Å; S76-K78 VanDerWaalsContact O-N 3.16Å; S76-A79 PolarHBondContact O-N 2.84Å; S76-A79 WeakPolarHBondContact OG-CB 3.47Å; S76-A79 PolarHBondContact OG-N 3.37Å; S76-A80 PolarHBondContact O-N 3.07Å; S76-D108 VanDerWaalsContact CB-OD2 3.28Å; S76-D108 WeakPolarHBondContact CB-OD2 3.48Å
77P96.7Very high96.4Very high6 Ų665.4 Ų65.44%0.03932%0.318CS..Hα-helixtrans-53.5-36.9175.3-25.133.7000112.6I42 A80 A81 L104 D108 Y116I42-P77 HydrophobicContact CD1-CG 4.3Å; I42-P77 HydrophobicContact CG1-CG 4.14Å; P77-A80 PolarHBondContact O-N 3.39Å; P77-A81 VanDerWaalsContact O-CB 3.3Å; P77-A81 WeakPolarHBondContact O-CB 3.22Å; P77-A81 PolarHBondContact O-N 3.38Å; P77-L104 HydrophobicContact CB-CD2 4.32Å; P77-D108 HydrophobicContact CG-CB 4.25Å; P77-Y116 HydrophobicContact CB-CE2 3.95Å
78K97.1Very high96.3Very high115 Ų11561.9 Ų61.950%0.530%0.304SS..Hα-helixtrans-64.1-43.8175.7-172.9178.4178.7179.90112.4S76 N82 Y116S76-K78 PolarHBondContact O-N 3.02Å; S76-K78 VanDerWaalsContact O-N 3.16Å; K78-N82 PolarHBondContact O-N 3.28Å; K78-N82 VanDerWaalsContact O-N 3.11Å; K78-N82 PolarHBondContact O-ND2 3Å; K78-Y116 WeakPolarHBondContact CA-OH 3.48Å; K78-Y116 WeakPolarHBondContact CB-OH 3.48Å
79A96.9Very high96.4Very high38 Ų3860.8 Ų60.831%0.31431%0.306SS..Hα-helixtrans-67.9-43.8178.300000110.9L75 S76 A81 N82 F83L75-A79 HydrophobicContact CB-CB 4.33Å; L75-A79 HydrophobicContact CD2-CB 4.07Å; S76-A79 PolarHBondContact O-N 2.84Å; S76-A79 WeakPolarHBondContact OG-CB 3.47Å; S76-A79 PolarHBondContact OG-N 3.37Å; A79-A81 PolarHBondContact O-N 2.94Å; A79-N82 PolarHBondContact O-N 2.95Å; A79-F83 WeakPolarHBondContact O-CB 3.47Å; A79-F83 PolarHBondContact O-N 3.34Å
80A97.6Very high96.4Very high0 Ų058.5 Ų58.50%030%0.297CS..Hα-helixtrans-59-45.5174.400000111.7I42 I64 S76 P77 N82 F83 T84 L104I42-A80 HydrophobicContact CD1-CB 3.97Å; I42-A80 HydrophobicContact CG2-CB 4.41Å; I64-A80 HydrophobicContact CD1-CB 4Å; S76-A80 PolarHBondContact O-N 3.07Å; P77-A80 PolarHBondContact O-N 3.39Å; A80-N82 PolarHBondContact O-N 2.95Å; A80-F83 PolarHBondContact O-N 2.83Å; A80-T84 WeakPolarHBondContact O-CB 3.41Å; A80-T84 PolarHBondContact O-N 3.15Å; A80-T84 PolarHBondContact O-OG1 2.94Å; A80-L104 HydrophobicContact CB-CD1 4.03Å
81A97.8Very high96.3Very high0 Ų053.2 Ų53.20%028%0.277CS..Hα-helixtrans-59.8-44.4176.700000112.8P77 A79 T84 R85 L104 Y116 L124P77-A81 VanDerWaalsContact O-CB 3.3Å; P77-A81 WeakPolarHBondContact O-CB 3.22Å; P77-A81 PolarHBondContact O-N 3.38Å; A79-A81 PolarHBondContact O-N 2.94Å; A81-T84 PolarHBondContact O-N 3.21Å; A81-R85 WeakPolarHBondContact O-CB 3.42Å; A81-R85 PolarHBondContact O-N 3.04Å; A81-L104 HydrophobicContact CB-CD1 4.29Å; A81-L104 HydrophobicContact CB-CD2 4.35Å; A81-Y116 HydrophobicContact CB-CD1 3.92Å; A81-Y116 HydrophobicContact CB-CD2 3.99Å; A81-Y116 HydrophobicContact CB-CE1 4.38Å; A81-Y116 HydrophobicContact CB-CE2 4.45Å; A81-Y116 HydrophobicContact CB-CG 3.71Å; A81-L124 HydrophobicContact CB-CD1 4.02Å; A81-L124 HydrophobicContact CB-CD2 4.22Å
82N98Very high96.2Very high65 Ų6552.6 Ų52.635%0.34827%0.274SS..Hα-helixtrans-69.5-35.1177.6-79.6-75000113K78 A79 A80 K86K78-N82 PolarHBondContact O-N 3.28Å; K78-N82 VanDerWaalsContact O-N 3.11Å; K78-N82 PolarHBondContact O-ND2 3Å; A79-N82 PolarHBondContact O-N 2.95Å; A80-N82 PolarHBondContact O-N 2.95Å; N82-K86 WeakPolarHBondContact O-CB 3.33Å; N82-K86 PolarHBondContact O-N 3.45Å
83F98Very high96.2Very high65 Ų6560.6 Ų60.629%0.28528%0.282SS..Hα-helixtrans-63.2-48.4173.2174.8-100.9000111.2I60 N63 I64 A79 A80 R85 K86 N87I60-F83 HydrophobicContact CD1-CD1 4.23Å; I60-F83 HydrophobicContact CD1-CE1 3.88Å; N63-F83 HydrophobicContact CB-CE1 3.85Å; N63-F83 HydrophobicContact CB-CZ 3.71Å; I64-F83 HydrophobicContact CG1-CD1 4.3Å; I64-F83 HydrophobicContact CG1-CE1 4.48Å; A79-F83 WeakPolarHBondContact O-CB 3.47Å; A79-F83 PolarHBondContact O-N 3.34Å; A80-F83 PolarHBondContact O-N 2.83Å; F83-R85 PolarHBondContact O-N 3.19Å; F83-K86 PolarHBondContact O-N 3.46Å; F83-N87 WeakPolarHBondContact CE1-ND2 3.35Å; F83-N87 VanDerWaalsContact CE2-ND2 3.32Å; F83-N87 WeakPolarHBondContact CE2-ND2 3.45Å; F83-N87 WeakPolarHBondContact CZ-ND2 3.49Å; F83-N87 PolarHBondContact O-N 3.09Å; F83-N87 VanDerWaalsContact O-N 3.11Å; F83-N87 PolarHBondContact O-ND2 2.8Å
84T97.8Very high96.3Very high0 Ų056.6 Ų56.60%027%0.273CS..Hα-helixtrans-59.5-47.6176.5-57.50000111.3F56 I60 A80 A81 K86 N87 L88 L102 M118F56-T84 HydrophobicContact CE1-CG2 3.83Å; F56-T84 HydrophobicContact CZ-CG2 4.14Å; I60-T84 HydrophobicContact CD1-CG2 4.38Å; I60-T84 HydrophobicContact CG1-CG2 4.24Å; I60-T84 WeakPolarHBondContact CG2-OG1 3.3Å; A80-T84 WeakPolarHBondContact O-CB 3.41Å; A80-T84 PolarHBondContact O-N 3.15Å; A80-T84 PolarHBondContact O-OG1 2.94Å; A81-T84 PolarHBondContact O-N 3.21Å; T84-K86 VanDerWaalsContact C-N 3.32Å; T84-K86 PolarHBondContact O-N 3.45Å; T84-N87 PolarHBondContact O-N 3.41Å; T84-L88 PolarHBondContact O-N 2.84Å; T84-L102 HydrophobicContact CG2-CD1 3.68Å; T84-M118 HydrophobicContact CG2-CE 3.81Å; T84-M118 HydrophobicContact CG2-SD 4.2Å
85R97.9Very high96.3Very high91 Ų9165.7 Ų65.734%0.34331%0.305SS..Hα-helixtrans-56.7-44.6176.6-170.8-167.468.876.4-1.9112.2A81 F83 L88 A89 M118 S122 L124A81-R85 WeakPolarHBondContact O-CB 3.42Å; A81-R85 PolarHBondContact O-N 3.04Å; F83-R85 PolarHBondContact O-N 3.19Å; R85-L88 PolarHBondContact O-N 2.8Å; R85-A89 VanDerWaalsContact O-CB 3.31Å; R85-A89 WeakPolarHBondContact O-CB 3.42Å; R85-A89 PolarHBondContact O-N 2.84Å; R85-M118 HydrophobicContact CB-SD 3.65Å; R85-M118 HydrophobicContact CG-SD 4.27Å; R85-S122 WeakPolarHBondContact CD-O 3.44Å; R85-S122 WeakPolarHBondContact CG-O 2.87Å; R85-L124 HydrophobicContact CB-CB 4.46Å; R85-L124 HydrophobicContact CB-CD2 4.43Å; R85-L124 HydrophobicContact CG-CB 4Å
86K97.5Very high96.2Very high125 Ų12568.9 Ų68.954%0.54333%0.326SS..Hα-helixtrans-61.3-49.7179.9-178.8-178.2175.2-174.70110.9N82 F83 T84 L88 A89 D90N82-K86 WeakPolarHBondContact O-CB 3.33Å; N82-K86 PolarHBondContact O-N 3.45Å; F83-K86 PolarHBondContact O-N 3.46Å; T84-K86 VanDerWaalsContact C-N 3.32Å; T84-K86 PolarHBondContact O-N 3.45Å; K86-L88 VanDerWaalsContact C-N 3.34Å; K86-L88 PolarHBondContact O-N 3.34Å; K86-A89 PolarHBondContact O-N 2.92Å; K86-D90 WeakPolarHBondContact O-CB 3.13Å; K86-D90 VanDerWaalsContact O-CG 3.22Å; K86-D90 PolarHBondContact O-N 3.23Å
87N96.8Very high96.2Very high16 Ų1669.1 Ų69.19%0.08633%0.327CS..Hα-helixtrans-61.1-44.9178.4-74.2-80.7000111.1F56 Y59 I60 F83 T84 A89 D90 Y91F56-N87 HydrophobicContact CE2-CB 4.27Å; F56-N87 HydrophobicContact CZ-CB 4.42Å; Y59-N87 HydrophobicContact CE1-CB 4.27Å; Y59-N87 WeakPolarHBondContact CE1-OD1 3.37Å; Y59-N87 PolarHBondContact OH-OD1 2.69Å; I60-N87 HydrophobicContact CD1-CB 4.01Å; F83-N87 WeakPolarHBondContact CE1-ND2 3.35Å; F83-N87 VanDerWaalsContact CE2-ND2 3.32Å; F83-N87 WeakPolarHBondContact CE2-ND2 3.45Å; F83-N87 WeakPolarHBondContact CZ-ND2 3.49Å; F83-N87 PolarHBondContact O-N 3.09Å; F83-N87 VanDerWaalsContact O-N 3.11Å; F83-N87 PolarHBondContact O-ND2 2.8Å; T84-N87 PolarHBondContact O-N 3.41Å; N87-A89 VanDerWaalsContact C-N 3.28Å; N87-A89 PolarHBondContact O-N 2.98Å; N87-D90 PolarHBondContact O-N 3.36Å; N87-Y91 VanDerWaalsContact O-CD2 3.27Å; N87-Y91 WeakPolarHBondContact O-CD2 3.38Å; N87-Y91 PolarHBondContact O-N 3.18Å
88L96.2Very high96.2Very high1 Ų170.8 Ų70.81%0.00533%0.332CS..Hα-helixtrans-59.1-42177.2-166.560.5000111.5F56 T84 R85 K86 Y91 L92 V100 L102 D119 S122F56-L88 HydrophobicContact CE1-CD1 4.33Å; F56-L88 HydrophobicContact CE2-CB 4.43Å; F56-L88 HydrophobicContact CE2-CD1 4.19Å; F56-L88 HydrophobicContact CZ-CB 3.88Å; F56-L88 HydrophobicContact CZ-CD1 4Å; F56-L88 HydrophobicContact CZ-CG 4.48Å; T84-L88 PolarHBondContact O-N 2.84Å; R85-L88 PolarHBondContact O-N 2.8Å; K86-L88 VanDerWaalsContact C-N 3.34Å; K86-L88 PolarHBondContact O-N 3.34Å; L88-Y91 PolarHBondContact O-N 2.83Å; L88-L92 WeakPolarHBondContact O-CB 3.15Å; L88-L92 PolarHBondContact O-N 2.69Å; L88-V100 HydrophobicContact CD1-CG2 3.6Å; L88-V100 HydrophobicContact CD2-CG2 4.43Å; L88-L102 HydrophobicContact CD2-CD1 4.17Å; L88-D119 WeakPolarHBondContact CD2-O 3.17Å; L88-S122 WeakPolarHBondContact CB-OG 2.94Å; L88-S122 VanDerWaalsContact CG-OG 3.27Å; L88-S122 WeakPolarHBondContact CG-OG 3.49Å; L88-S122 PolarHBondContact O-OG 3.32Å
89A97.1Very high96.1Very high34 Ų3470 Ų7028%0.28133%0.33SS..Hα-helixtrans-68.8-37.7179.500000113R85 K86 N87 Y91 L92 S122R85-A89 VanDerWaalsContact O-CB 3.31Å; R85-A89 WeakPolarHBondContact O-CB 3.42Å; R85-A89 PolarHBondContact O-N 2.84Å; K86-A89 PolarHBondContact O-N 2.92Å; N87-A89 VanDerWaalsContact C-N 3.28Å; N87-A89 PolarHBondContact O-N 2.98Å; A89-Y91 VanDerWaalsContact C-N 3.34Å; A89-L92 WeakPolarHBondContact O-CB 3.48Å; A89-L92 PolarHBondContact O-N 3.19Å; A89-S122 VanDerWaalsContact CA-OG 3.25Å; A89-S122 WeakPolarHBondContact CA-OG 2.89Å; A89-S122 PolarHBondContact N-OG 3.2Å
90D95.9Very high96.1Very high101 Ų10168.1 Ų68.154%0.5432%0.315SS..Hα-helixtrans-65.2-40.5177.4-70.1-19.7000110.4K86 N87K86-D90 WeakPolarHBondContact O-CB 3.13Å; K86-D90 VanDerWaalsContact O-CG 3.22Å; K86-D90 PolarHBondContact O-N 3.23Å; N87-D90 PolarHBondContact O-N 3.36Å
91Y95.4Very high96.1Very high72 Ų7270 Ų7028%0.28233%0.325SS..Hα-helixtrans-76.3-25.8175.9-79.9-80.7000113.7N87 L88 A89 R93 S94 P97 Y98N87-Y91 VanDerWaalsContact O-CD2 3.27Å; N87-Y91 WeakPolarHBondContact O-CD2 3.38Å; N87-Y91 PolarHBondContact O-N 3.18Å; L88-Y91 PolarHBondContact O-N 2.83Å; A89-Y91 VanDerWaalsContact C-N 3.34Å; Y91-R93 PolarHBondContact O-N 3.41Å; Y91-R93 VanDerWaalsContact O-N 3.15Å; Y91-S94 VanDerWaalsContact O-CB 3.25Å; Y91-S94 WeakPolarHBondContact O-CB 3.42Å; Y91-S94 PolarHBondContact O-N 2.7Å; Y91-S94 PolarHBondContact O-OG 2.77Å; Y91-P97 WeakPolarHBondContact O-CA 3.35Å; Y91-Y98 HydrophobicContact CD1-CD2 4.19Å; Y91-Y98 AromaticContact CD1-CE2 3.73Å; Y91-Y98 HydrophobicContact CD1-CE2 3.73Å; Y91-Y98 HydrophobicContact CD2-CD2 4.04Å; Y91-Y98 AromaticContact CD2-CE2 3.71Å; Y91-Y98 HydrophobicContact CD2-CE2 3.71Å; Y91-Y98 HydrophobicContact CE1-CE2 4.04Å; Y91-Y98 HydrophobicContact CE2-CE2 4.05Å; Y91-Y98 AromaticContact CG-CD2 3.72Å; Y91-Y98 HydrophobicContact CG-CD2 3.72Å; Y91-Y98 AromaticContact CG-CE2 3.57Å; Y91-Y98 HydrophobicContact CG-CE2 3.57Å
92L94.6Very high96Very high56 Ų5670 Ų7029%0.29333%0.325SS..Hα-helixtrans-55.8-33.5-178-178.161.8000113.5L88 A89 L121L88-L92 WeakPolarHBondContact O-CB 3.15Å; L88-L92 PolarHBondContact O-N 2.69Å; A89-L92 WeakPolarHBondContact O-CB 3.48Å; A89-L92 PolarHBondContact O-N 3.19Å; L92-L121 HydrophobicContact CD1-CD2 4.17Å; L92-L121 HydrophobicContact CD2-CD2 4.45Å
93R93.4Very high96.1Very high239 Ų23966.9 Ų66.990%0.90231%0.309SS*.THydrogen-bonded Turntrans-102.710.5177.2-63.4-172.6-178.6150.20.9113.7Y91Y91-R93 PolarHBondContact O-N 3.41Å; Y91-R93 VanDerWaalsContact O-N 3.15Å
94S94.1Very high96.1Very high47 Ų4763.8 Ų63.833%0.32930%0.295SS..SBendtrans-82.7179.1176.181.90000111.5Y91 T96Y91-S94 VanDerWaalsContact O-CB 3.25Å; Y91-S94 WeakPolarHBondContact O-CB 3.42Å; Y91-S94 PolarHBondContact O-N 2.7Å; Y91-S94 PolarHBondContact O-OG 2.77Å; S94-T96 PolarHBondContact O-N 3.27Å; S94-T96 PolarHBondContact OG-N 2.8Å; S94-T96 VanDerWaalsContact OG-N 3.16Å; S94-T96 PolarHBondContact OG-O 3.21Å
95R92.9Very high96.1Very high245 Ų24563.8 Ų63.893%0.92530%0.295SS*.SBendtrans-69.6-18.8173.5-66.5-178.367.895.20.6113.2
96T93.1Very high96.1Very high95 Ų9559.5 Ų59.558%0.58328%0.279SS*.SBendtrans-132.974.8-175.353.20000108.7S94S94-T96 PolarHBondContact O-N 3.27Å; S94-T96 PolarHBondContact OG-N 2.8Å; S94-T96 VanDerWaalsContact OG-N 3.16Å; S94-T96 PolarHBondContact OG-O 3.21Å
97P94.9Very high96.1Very high40 Ų4054.4 Ų54.426%0.2626%0.257SS..  trans-67.9138.5176.529.7-34.4000110.4Y91Y91-P97 WeakPolarHBondContact O-CA 3.35Å
98Y96.7Very high95.9Very high41 Ų4155.2 Ų55.216%0.16126%0.261CS..  trans-80.5122.8172.8-70.1-66.5000110.3D52 F56 Y91 V100D52-Y98 HydrophobicContact CB-CD1 3.86Å; D52-Y98 WeakPolarHBondContact OD2-CA 3.39Å; F56-Y98 HydrophobicContact CB-CD1 4.1Å; F56-Y98 HydrophobicContact CB-CE1 4.31Å; F56-Y98 HydrophobicContact CB-CG 4.23Å; F56-Y98 HydrophobicContact CD2-CD1 4.42Å; F56-Y98 AromaticContact CD2-CD2 3.42Å; F56-Y98 HydrophobicContact CD2-CD2 3.42Å; F56-Y98 VanDerWaalsContact CD2-CD2 3.42Å; F56-Y98 AromaticContact CD2-CE2 3.69Å; F56-Y98 HydrophobicContact CD2-CE2 3.69Å; F56-Y98 AromaticContact CD2-CG 3.83Å; F56-Y98 HydrophobicContact CD2-CG 3.83Å; F56-Y98 AromaticContact CE2-CD2 3.98Å; F56-Y98 HydrophobicContact CE2-CD2 3.98Å; F56-Y98 HydrophobicContact CE2-CE2 4.35Å; F56-Y98 HydrophobicContact CG-CD2 4.32Å; F56-Y98 HydrophobicContact CG-CG 4.29Å; Y91-Y98 HydrophobicContact CD1-CD2 4.19Å; Y91-Y98 AromaticContact CD1-CE2 3.73Å; Y91-Y98 HydrophobicContact CD1-CE2 3.73Å; Y91-Y98 HydrophobicContact CD2-CD2 4.04Å; Y91-Y98 AromaticContact CD2-CE2 3.71Å; Y91-Y98 HydrophobicContact CD2-CE2 3.71Å; Y91-Y98 HydrophobicContact CE1-CE2 4.04Å; Y91-Y98 HydrophobicContact CE2-CE2 4.05Å; Y91-Y98 AromaticContact CG-CD2 3.72Å; Y91-Y98 HydrophobicContact CG-CD2 3.72Å; Y91-Y98 AromaticContact CG-CE2 3.57Å; Y91-Y98 HydrophobicContact CG-CE2 3.57Å; Y98-V100 PolarHBondContact O-N 3.26Å
99H95.4Very high95.6Very high98 Ų9862.5 Ų62.545%0.45430%0.295SS..  trans-94.871.9176.4-71.1-72.2000111.2G48 E49 D52G48-H99 WeakPolarHBondContact CA-O 3.37Å; E49-H99 HydrophobicContact CB-CB 4.03Å; E49-H99 PolarHBondContact N-O 2.81Å; D52-H99 PolarHBondContact OD2-N 3.25Å
100V96.8Very high95.2Very high0 Ų066.8 Ų66.80%032%0.318CS..EExtended strand (participates in β ladder)trans-127.1141.9-176.8-60.20000111.8V47 D52 T53 F56 L88 Y98 L102 H120V47-V100 CarbonylContact O-C 3.58Å; V47-V100 WeakPolarHBondContact O-CA 3.28Å; D52-V100 HydrophobicContact CB-CG1 3.78Å; T53-V100 HydrophobicContact CG2-CG1 3.98Å; F56-V100 HydrophobicContact CD1-CG2 3.84Å; F56-V100 HydrophobicContact CE1-CG2 4.28Å; F56-V100 HydrophobicContact CG-CG2 4.24Å; L88-V100 HydrophobicContact CD1-CG2 3.6Å; L88-V100 HydrophobicContact CD2-CG2 4.43Å; Y98-V100 PolarHBondContact O-N 3.26Å; V100-L102 HydrophobicContact CB-CD2 4.26Å; V100-L102 HydrophobicContact CG2-CD1 4.27Å; V100-L102 HydrophobicContact CG2-CD2 4.15Å; V100-L102 HydrophobicContact CG2-CG 4.24Å; V100-H120 WeakPolarHBondContact O-CA 3.09Å; V100-H120 VanDerWaalsContact O-CB 3.3Å; V100-H120 WeakPolarHBondContact O-CB 3.44Å; V100-H120 PolarHBondContact O-N 3.24Å
101N97.3Very high95Very high39 Ų3966.2 Ų66.221%0.20932%0.315CS..EExtended strand (participates in β ladder)trans-115.3141.4168.5-59.3-77.8000108.5V47 D119 H120V47-N101 HydrophobicContact CG2-CB 4.12Å; V47-N101 PolarHBondContact N-O 3.16Å; V47-N101 PolarHBondContact O-N 2.99Å; N101-D119 WeakPolarHBondContact OD1-CA 3.41Å; N101-H120 PolarHBondContact OD1-N 2.89Å; N101-H120 PolarHBondContact OD1-ND1 2.76Å
102L97.2Very high94.9Very high0 Ų063.8 Ų63.80%031%0.311CS..EExtended strand (participates in β ladder)trans-136.9136-161.6-53.3167.6000110.9L44 L45 C46 F56 T84 L88 V100 M118 H132L44-L102 HydrophobicContact CD1-CB 4.1Å; L44-L102 HydrophobicContact CD1-CD2 4.22Å; L45-L102 VanDerWaalsContact O-CA 3.26Å; L45-L102 WeakPolarHBondContact O-CA 3.42Å; C46-L102 HydrophobicContact CB-CD2 3.68Å; C46-L102 WeakPolarHBondContact SG-CD2 3.45Å; F56-L102 HydrophobicContact CD1-CD1 4.24Å; F56-L102 HydrophobicContact CD1-CD2 4.48Å; F56-L102 HydrophobicContact CE1-CD1 3.65Å; T84-L102 HydrophobicContact CG2-CD1 3.68Å; L88-L102 HydrophobicContact CD2-CD1 4.17Å; V100-L102 HydrophobicContact CB-CD2 4.26Å; V100-L102 HydrophobicContact CG2-CD1 4.27Å; V100-L102 HydrophobicContact CG2-CD2 4.15Å; V100-L102 HydrophobicContact CG2-CG 4.24Å; L102-M118 HydrophobicContact CB-CB 4.03Å; L102-M118 HydrophobicContact CD1-CE 4.49Å; L102-M118 PolarHBondContact N-O 3.09Å; L102-M118 PolarHBondContact O-N 3.03Å; L102-H132 PolarHBondContact N-NE2 2.84Å; L102-H132 PolarHBondContact O-NE2 2.98Å; L102-H132 VanDerWaalsContact O-NE2 3.15Å
103L98.4Very high95Very high0 Ų061.6 Ų61.60%030%0.301CS..EExtended strand (participates in β ladder)trans-107.8127.1157.4-61.4-177000108.3L4 L45 Y116 Y117 A130L4-L103 HydrophobicContact CB-CD1 3.91Å; L4-L103 HydrophobicContact CB-CG 4.35Å; L4-L103 HydrophobicContact CD1-CG 4.38Å; L45-L103 HydrophobicContact CB-CB 4.23Å; L45-L103 HydrophobicContact CD1-CB 4.02Å; L45-L103 WeakPolarHBondContact CD1-O 3.44Å; L45-L103 PolarHBondContact N-O 3.5Å; L45-L103 PolarHBondContact O-N 2.88Å; L103-Y116 WeakPolarHBondContact CA-O 3.29Å; L103-Y117 HydrophobicContact CD2-CD2 3.95Å; L103-A130 HydrophobicContact CD2-CB 3.64Å
104L98.4Very high95.2Very high0 Ų050.3 Ų50.30%026%0.259CS..EExtended strand (participates in β ladder)trans-109.1117.9169.2-173156000108.3L38 I42 L44 P77 A80 A81 Y116 M118L38-L104 HydrophobicContact CD1-CD1 3.89Å; L38-L104 HydrophobicContact CD1-CG 4.49Å; I42-L104 HydrophobicContact CG2-CD1 4.37Å; I42-L104 HydrophobicContact CG2-CD2 3.91Å; I42-L104 HydrophobicContact CG2-CG 4.11Å; L44-L104 HydrophobicContact CD1-CB 4.14Å; L44-L104 HydrophobicContact CD1-CD1 4.43Å; P77-L104 HydrophobicContact CB-CD2 4.32Å; A80-L104 HydrophobicContact CB-CD1 4.03Å; A81-L104 HydrophobicContact CB-CD1 4.29Å; A81-L104 HydrophobicContact CB-CD2 4.35Å; L104-Y116 HydrophobicContact CD2-CD2 3.89Å; L104-Y116 PolarHBondContact N-O 2.65Å; L104-Y116 PolarHBondContact O-N 3.2Å; L104-M118 HydrophobicContact CB-CE 4.43Å
105A98.3Very high95.4Very high0 Ų048.1 Ų48.10%024%0.243CC..EExtended strand (participates in β ladder)trans-114.4139.7177.300000109.1V13 V15 L43 G114 L115 I183V13-A105 HydrophobicContact CB-CB 4.26Å; V13-A105 HydrophobicContact CG1-CB 3.66Å; V15-A105 HydrophobicContact CG1-CB 3.55Å; L43-A105 PolarHBondContact N-O 2.79Å; L43-A105 PolarHBondContact O-N 2.88Å; L43-A105 VanDerWaalsContact O-O 3.1Å; A105-G114 WeakPolarHBondContact CA-O 3.14Å; A105-L115 HydrophobicContact CB-CD1 4.09Å; A105-I183 HydrophobicContact CB-CD1 3.47Å; A105-I183 VanDerWaalsContact CB-CD1 3.47Å
106G97.4Very high95.7Very high0 Ų037.1 Ų37.10%020%0.202CC..EExtended strand (participates in β ladder)trans-164.1168.817400000112.8K41 G114K41-G106 CarbonylContact O-C 3.59Å; K41-G106 WeakPolarHBondContact O-CA 3.43Å; G106-G114 PolarHBondContact N-O 3.22Å; G106-G114 PolarHBondContact O-N 3.04Å
107F96.9Very high95.9Very high19 Ų1936.2 Ų36.28%0.08319%0.188CC..EExtended strand (participates in β ladder)trans-121.1129.9175.8-171-79.7000109.6D11 K41 P113 I183 T185D11-F107 WeakPolarHBondContact O-CD2 3.3Å; D11-F107 WeakPolarHBondContact O-CE2 3.45Å; K41-F107 WeakPolarHBondContact CB-O 3.49Å; K41-F107 PolarHBondContact O-N 3.25Å; F107-P113 HydrophobicContact CD2-CB 4.08Å; F107-P113 HydrophobicContact CE2-CB 4.47Å; F107-I183 HydrophobicContact CB-CG2 3.96Å; F107-T185 HydrophobicContact CD1-CG2 4.21Å; F107-T185 HydrophobicContact CE1-CG2 3.35Å; F107-T185 HydrophobicContact CE2-CG2 4.16Å; F107-T185 HydrophobicContact CZ-CG2 3.32Å
108D94Very high96.1Very high32 Ų3234.3 Ų34.317%0.17118%0.176CC..EExtended strand (participates in β ladder)trans-113.8141.6172.5-163.8-9.9000109.6S76 P77 T110 D111 G112S76-D108 VanDerWaalsContact CB-OD2 3.28Å; S76-D108 WeakPolarHBondContact CB-OD2 3.48Å; P77-D108 HydrophobicContact CG-CB 4.25Å; D108-T110 PolarHBondContact O-N 2.91Å; D108-T110 PolarHBondContact OD1-N 2.91Å; D108-D111 HydrophobicContact CB-CB 4.16Å; D108-G112 PolarHBondContact N-O 3.17Å; D108-G112 CarbonylContact O-C 3.58Å; D108-G112 WeakPolarHBondContact O-CA 3.43Å; D108-G112 PolarHBondContact O-N 2.78Å
109E89.6Confident96.1Very high155 Ų15534 Ų3472%0.72418%0.177SC*.THydrogen-bonded Turntrans-69.5-26.2175.5-68.4175-163.800111.7K41K41-E109 IonicContact NZ-OE1 2.65Å; K41-E109 PolarHBondContact NZ-OE1 3.31Å
110T89.5Confident96Very high124 Ų12432.7 Ų32.776%0.76117%0.171SC*.THydrogen-bonded Turntrans-89.2-51.6-179.8-49.40000112.1D108D108-T110 PolarHBondContact O-N 2.91Å; D108-T110 PolarHBondContact OD1-N 2.91Å
111D90.3Very high96Very high89 Ų8937.4 Ų37.448%0.47620%0.196SC..THydrogen-bonded Turntrans-95.4-4.8-173.4-75.6-19.4000113.6D108D108-D111 HydrophobicContact CB-CB 4.16Å
112G94.6Very high95.9Very high20 Ų2036 Ų3621%0.20619%0.189CC..EExtended strand (participates in β ladder)trans72.8-156.4-176.100000113.5D108D108-G112 PolarHBondContact N-O 3.17Å; D108-G112 CarbonylContact O-C 3.58Å; D108-G112 WeakPolarHBondContact O-CA 3.43Å; D108-G112 PolarHBondContact O-N 2.78Å
113P96.8Very high95.9Very high11 Ų1138.4 Ų38.47%0.07121%0.209CC..EExtended strand (participates in β ladder)trans-68.5145.3178.528.4-33.1000111.8Q8 G9 Q10 V13 F107Q8-P113 HydrophobicContact CG-CB 4.06Å; Q8-P113 HydrophobicContact CG-CG 4.18Å; Q8-P113 PolarHBondContact NE2-O 2.97Å; G9-P113 WeakPolarHBondContact O-CG 3.43Å; Q10-P113 WeakPolarHBondContact O-CD 3.15Å; Q10-P113 VanDerWaalsContact O-CG 3.29Å; Q10-P113 WeakPolarHBondContact O-CG 3.33Å; V13-P113 HydrophobicContact CG2-CB 3.53Å; F107-P113 HydrophobicContact CD2-CB 4.08Å; F107-P113 HydrophobicContact CE2-CB 4.47Å
114G97Very high95.8Very high2 Ų240.7 Ų40.72%0.02122%0.221CC..EExtended strand (participates in β ladder)trans-141.8122.6178.300000112.1A105 G106A105-G114 WeakPolarHBondContact CA-O 3.14Å; G106-G114 PolarHBondContact N-O 3.22Å; G106-G114 PolarHBondContact O-N 3.04Å
115L98.4Very high95.8Very high0 Ų043 Ų430%024%0.24CC..EExtended strand (participates in β ladder)trans-112125.6170.1177.967.7000109.8G6 Q8 V13 A105 K126 A127 A130G6-L115 VanDerWaalsContact C-CD2 3.42Å; G6-L115 WeakPolarHBondContact O-CD2 3.42Å; Q8-L115 HydrophobicContact CB-CB 4.2Å; V13-L115 HydrophobicContact CG1-CB 4.15Å; V13-L115 HydrophobicContact CG1-CD1 4.2Å; A105-L115 HydrophobicContact CB-CD1 4.09Å; L115-K126 WeakPolarHBondContact O-CA 3.34Å; L115-A127 WeakPolarHBondContact CB-O 3.49Å; L115-A127 PolarHBondContact O-N 2.83Å; L115-A130 HydrophobicContact CD2-CB 4.08Å; L115-A130 HydrophobicContact CG-CB 4.48Å
116Y98.5Very high95.8Very high15 Ų1548.3 Ų48.36%0.05926%0.263CS..EExtended strand (participates in β ladder)trans-121.5121.7-176.1-63.2-84.9000110.1P77 K78 A81 L103 L104 L124 A125 K126P77-Y116 HydrophobicContact CB-CE2 3.95Å; K78-Y116 WeakPolarHBondContact CA-OH 3.48Å; K78-Y116 WeakPolarHBondContact CB-OH 3.48Å; A81-Y116 HydrophobicContact CB-CD1 3.92Å; A81-Y116 HydrophobicContact CB-CD2 3.99Å; A81-Y116 HydrophobicContact CB-CE1 4.38Å; A81-Y116 HydrophobicContact CB-CE2 4.45Å; A81-Y116 HydrophobicContact CB-CG 3.71Å; L103-Y116 WeakPolarHBondContact CA-O 3.29Å; L104-Y116 HydrophobicContact CD2-CD2 3.89Å; L104-Y116 PolarHBondContact N-O 2.65Å; L104-Y116 PolarHBondContact O-N 3.2Å; Y116-L124 HydrophobicContact CD1-CD1 4.01Å; Y116-L124 HydrophobicContact CG-CD1 4.31Å; Y116-A125 CarbonylContact C-O 3.59Å; Y116-A125 WeakPolarHBondContact CA-O 3.33Å; Y116-K126 HydrophobicContact CD1-CB 4.01Å; Y116-K126 HydrophobicContact CD1-CG 4.32Å; Y116-K126 HydrophobicContact CE1-CB 3.89Å; Y116-K126 HydrophobicContact CE1-CD 4.17Å; Y116-K126 HydrophobicContact CE1-CG 3.99Å
117Y98.4Very high95.8Very high76 Ų7649.3 Ų49.330%0.29827%0.271SS..EExtended strand (participates in β ladder)trans-89133.1171.7175.5-86.2000109.8L103 D119 L124 A125 A130 H132L103-Y117 HydrophobicContact CD2-CD2 3.95Å; Y117-D119 HydrophobicContact CE1-CB 4.1Å; Y117-L124 WeakPolarHBondContact O-CA 3.41Å; Y117-A125 PolarHBondContact N-O 3.21Å; Y117-A125 PolarHBondContact O-N 3Å; Y117-A130 HydrophobicContact CD2-CB 4.07Å; Y117-H132 AromaticContact CD2-CE1 3.53Å; Y117-H132 AromaticContact CD2-NE2 3.44Å; Y117-H132 WeakPolarHBondContact CD2-NE2 3.33Å; Y117-H132 AromaticContact CE1-CE1 3.93Å; Y117-H132 AromaticContact CE2-CE1 2.94Å; Y117-H132 WeakPolarHBondContact CE2-CE1 3.44Å; Y117-H132 AromaticContact CE2-ND1 3.38Å; Y117-H132 WeakPolarHBondContact CE2-ND1 3.05Å; Y117-H132 AromaticContact CE2-NE2 3.37Å; Y117-H132 WeakPolarHBondContact CE2-NE2 2.99Å; Y117-H132 AromaticContact CZ-CE1 3.16Å; Y117-H132 AromaticContact CZ-ND1 3.74Å; Y117-H132 AromaticContact CZ-NE2 3.93Å; Y117-H132 PolarHBondContact OH-CE1 3.21Å
118M98Very high95.8Very high0 Ų051 Ų510%028%0.284CS..EExtended strand (participates in β ladder)trans-134.7122172.2-97.4178.7-65.900111.4T84 R85 L102 L104 A123 L124 H132T84-M118 HydrophobicContact CG2-CE 3.81Å; T84-M118 HydrophobicContact CG2-SD 4.2Å; R85-M118 HydrophobicContact CB-SD 3.65Å; R85-M118 HydrophobicContact CG-SD 4.27Å; L102-M118 HydrophobicContact CB-CB 4.03Å; L102-M118 HydrophobicContact CD1-CE 4.49Å; L102-M118 PolarHBondContact N-O 3.09Å; L102-M118 PolarHBondContact O-N 3.03Å; L104-M118 HydrophobicContact CB-CE 4.43Å; M118-A123 VanDerWaalsContact CA-O 3.32Å; M118-A123 WeakPolarHBondContact CA-O 3.32Å; M118-L124 HydrophobicContact CE-CD1 4.08Å; M118-L124 HydrophobicContact CG-CB 4Å; M118-L124 HydrophobicContact CG-CD1 3.62Å; M118-L124 HydrophobicContact CG-CG 4.43Å; M118-L124 HydrophobicContact SD-CD1 4.01Å; M118-H132 PolarHBondContact O-CE1 3.11Å; M118-H132 VanDerWaalsContact O-CE1 3.31Å; M118-H132 PolarHBondContact O-NE2 3.33Å
119D96.3Very high96Very high33 Ų3351 Ų5118%0.17628%0.282CS..  trans-84167.7170.169.913.4000112.1L88 N101 Y117 L121 S122 A123L88-D119 WeakPolarHBondContact CD2-O 3.17Å; N101-D119 WeakPolarHBondContact OD1-CA 3.41Å; Y117-D119 HydrophobicContact CE1-CB 4.1Å; D119-L121 PolarHBondContact O-N 2.89Å; D119-L121 VanDerWaalsContact O-N 3.09Å; D119-L121 VanDerWaalsContact OD1-C 3.29Å; D119-L121 WeakPolarHBondContact OD1-CA 3.5Å; D119-L121 WeakPolarHBondContact OD1-CB 3.22Å; D119-L121 PolarHBondContact OD1-N 2.77Å; D119-S122 PolarHBondContact O-N 2.79Å; D119-S122 PolarHBondContact OD1-N 3.13Å; D119-S122 VanDerWaalsContact OD1-N 3.07Å; D119-A123 PolarHBondContact N-O 3.25Å; D119-A123 WeakPolarHBondContact OD1-CB 3.41Å; D119-A123 PolarHBondContact OD1-N 2.83Å
120H94.4Very high96.4Very high71 Ų7143.9 Ų43.933%0.32925%0.25SS..THydrogen-bonded Turntrans-61.4-11.5174.869-72.9000114.6V100 N101 S122V100-H120 WeakPolarHBondContact O-CA 3.09Å; V100-H120 VanDerWaalsContact O-CB 3.3Å; V100-H120 WeakPolarHBondContact O-CB 3.44Å; V100-H120 PolarHBondContact O-N 3.24Å; N101-H120 PolarHBondContact OD1-N 2.89Å; N101-H120 PolarHBondContact OD1-ND1 2.76Å; H120-S122 VanDerWaalsContact C-N 3.32Å
121L95.9Very high96.8Very high100 Ų10038.3 Ų38.352%0.52422%0.217SC..THydrogen-bonded Turntrans-93.48173.6-60.3179.8000112.4L92 D119 A123L92-L121 HydrophobicContact CD1-CD2 4.17Å; L92-L121 HydrophobicContact CD2-CD2 4.45Å; D119-L121 PolarHBondContact O-N 2.89Å; D119-L121 VanDerWaalsContact O-N 3.09Å; D119-L121 VanDerWaalsContact OD1-C 3.29Å; D119-L121 WeakPolarHBondContact OD1-CA 3.5Å; D119-L121 WeakPolarHBondContact OD1-CB 3.22Å; D119-L121 PolarHBondContact OD1-N 2.77Å; L121-A123 VanDerWaalsContact C-N 3.27Å; L121-A123 PolarHBondContact O-N 3.33Å
122S94.9Very high97.1Very high9 Ų934.4 Ų34.46%0.06320%0.196CC..  trans65.425.2179.1-43.60000114.2R85 L88 A89 D119 H120R85-S122 WeakPolarHBondContact CD-O 3.44Å; R85-S122 WeakPolarHBondContact CG-O 2.87Å; L88-S122 WeakPolarHBondContact CB-OG 2.94Å; L88-S122 VanDerWaalsContact CG-OG 3.27Å; L88-S122 WeakPolarHBondContact CG-OG 3.49Å; L88-S122 PolarHBondContact O-OG 3.32Å; A89-S122 VanDerWaalsContact CA-OG 3.25Å; A89-S122 WeakPolarHBondContact CA-OG 2.89Å; A89-S122 PolarHBondContact N-OG 3.2Å; D119-S122 PolarHBondContact O-N 2.79Å; D119-S122 PolarHBondContact OD1-N 3.13Å; D119-S122 VanDerWaalsContact OD1-N 3.07Å; H120-S122 VanDerWaalsContact C-N 3.32Å
123A97.1Very high97.1Very high51 Ų5134.5 Ų34.542%0.42120%0.196SC..  trans-77.4125.1166.900000109.1M118 D119 L121M118-A123 VanDerWaalsContact CA-O 3.32Å; M118-A123 WeakPolarHBondContact CA-O 3.32Å; D119-A123 PolarHBondContact N-O 3.25Å; D119-A123 WeakPolarHBondContact OD1-CB 3.41Å; D119-A123 PolarHBondContact OD1-N 2.83Å; L121-A123 VanDerWaalsContact C-N 3.27Å; L121-A123 PolarHBondContact O-N 3.33Å
124L98.1Very high97.1Very high48 Ų4840 Ų4025%0.25122%0.217SC..EExtended strand (participates in β ladder)trans-111.6129.2-179.1173.170.1000109.8A81 R85 Y116 Y117 M118A81-L124 HydrophobicContact CB-CD1 4.02Å; A81-L124 HydrophobicContact CB-CD2 4.22Å; R85-L124 HydrophobicContact CB-CB 4.46Å; R85-L124 HydrophobicContact CB-CD2 4.43Å; R85-L124 HydrophobicContact CG-CB 4Å; Y116-L124 HydrophobicContact CD1-CD1 4.01Å; Y116-L124 HydrophobicContact CG-CD1 4.31Å; Y117-L124 WeakPolarHBondContact O-CA 3.41Å; M118-L124 HydrophobicContact CE-CD1 4.08Å; M118-L124 HydrophobicContact CG-CB 4Å; M118-L124 HydrophobicContact CG-CD1 3.62Å; M118-L124 HydrophobicContact CG-CG 4.43Å; M118-L124 HydrophobicContact SD-CD1 4.01Å
125A97.9Very high96.9Very high48 Ų4839.9 Ų39.940%0.39722%0.216SC..EExtended strand (participates in β ladder)trans-133.3134.5172.500000110.4Y116 Y117Y116-A125 CarbonylContact C-O 3.59Å; Y116-A125 WeakPolarHBondContact CA-O 3.33Å; Y117-A125 PolarHBondContact N-O 3.21Å; Y117-A125 PolarHBondContact O-N 3Å
126K97.6Very high96.8Very high111 Ų11140.3 Ų40.348%0.48322%0.219SC..EExtended strand (participates in β ladder)trans-80.6128.3164.7-171.3178.1-178.6177.30107.4L115 Y116L115-K126 WeakPolarHBondContact O-CA 3.34Å; Y116-K126 HydrophobicContact CD1-CB 4.01Å; Y116-K126 HydrophobicContact CD1-CG 4.32Å; Y116-K126 HydrophobicContact CE1-CB 3.89Å; Y116-K126 HydrophobicContact CE1-CD 4.17Å; Y116-K126 HydrophobicContact CE1-CG 3.99Å
127A96.9Very high96.7Very high21 Ų2148.3 Ų48.317%0.17425%0.25CS..  trans-139.7145-175.400000111.4L115 F129L115-A127 WeakPolarHBondContact CB-O 3.49Å; L115-A127 PolarHBondContact O-N 2.83Å; A127-F129 WeakPolarHBondContact CB-O 3.4Å; A127-F129 PolarHBondContact O-N 3.33Å
128P97.2Very high96.5Very high55 Ų5546.8 Ų46.836%0.35725%0.247SC..SBendtrans-66.3-26.7177.626.5-33.8000112.6Q8 Y147Q8-P128 WeakPolarHBondContact CA-O 2.95Å; Q8-P128 WeakPolarHBondContact CB-O 3.42Å; Q8-P128 PolarHBondContact N-O 3.41Å; P128-Y147 HydrophobicContact CB-CE1 3.65Å; P128-Y147 HydrophobicContact CB-CE2 4.37Å; P128-Y147 WeakPolarHBondContact CB-OH 3.41Å; P128-Y147 HydrophobicContact CG-CE1 4.37Å
129F98.1Very high96.5Very high32 Ų3246.8 Ų46.814%0.1425%0.247CC..EExtended strand (participates in β ladder)trans-151.9153.4170.850.5-94.3000108.1G6 A127 L140 L143 D144 Y147G6-F129 CarbonylContact O-C 3.55Å; G6-F129 WeakPolarHBondContact O-CA 3.31Å; G6-F129 WeakPolarHBondContact O-CB 3.26Å; A127-F129 WeakPolarHBondContact CB-O 3.4Å; A127-F129 PolarHBondContact O-N 3.33Å; F129-L140 HydrophobicContact CD2-CD2 4.17Å; F129-L140 HydrophobicContact CE2-CD2 4.39Å; F129-L143 HydrophobicContact CB-CD1 4.11Å; F129-L143 HydrophobicContact CD1-CB 4.46Å; F129-L143 HydrophobicContact CD2-CB 3.69Å; F129-L143 HydrophobicContact CD2-CD1 3.85Å; F129-L143 HydrophobicContact CD2-CG 4.36Å; F129-L143 HydrophobicContact CE2-CB 3.91Å; F129-L143 HydrophobicContact CG-CB 3.99Å; F129-L143 HydrophobicContact CG-CD1 4.19Å; F129-L143 HydrophobicContact CZ-CB 4.41Å; F129-D144 WeakPolarHBondContact CE2-OD1 3.14Å; F129-D144 WeakPolarHBondContact CZ-OD1 3.41Å; F129-Y147 AromaticContact CD1-CD1 3.8Å; F129-Y147 HydrophobicContact CD1-CD1 3.8Å; F129-Y147 AromaticContact CD1-CD2 3.77Å; F129-Y147 HydrophobicContact CD1-CD2 3.77Å; F129-Y147 HydrophobicContact CD1-CE1 4.21Å; F129-Y147 HydrophobicContact CD1-CE2 4.19Å; F129-Y147 AromaticContact CD1-CG 3.55Å; F129-Y147 HydrophobicContact CD1-CG 3.55Å; F129-Y147 AromaticContact CE1-CD1 3.67Å; F129-Y147 HydrophobicContact CE1-CD1 3.67Å; F129-Y147 HydrophobicContact CE1-CD2 4.4Å; F129-Y147 HydrophobicContact CE1-CE1 4.3Å; F129-Y147 AromaticContact CE1-CG 3.73Å; F129-Y147 HydrophobicContact CE1-CG 3.73Å
130A98.1Very high96.5Very high6 Ų648.1 Ų48.15%0.0525%0.254CS..EExtended strand (participates in β ladder)trans-154.6150.5-176.700000110.3I5 G6 L103 L115 Y117I5-A130 CarbonylContact C-O 3.54Å; I5-A130 WeakPolarHBondContact CA-O 3.33Å; G6-A130 PolarHBondContact N-O 3.11Å; G6-A130 PolarHBondContact O-N 3.06Å; L103-A130 HydrophobicContact CD2-CB 3.64Å; L115-A130 HydrophobicContact CD2-CB 4.08Å; L115-A130 HydrophobicContact CG-CB 4.48Å; Y117-A130 HydrophobicContact CD2-CB 4.07Å
131A97.8Very high96.7Very high7 Ų748.4 Ų48.46%0.05826%0.263CS..EExtended strand (participates in β ladder)trans-144.8148.3175.200000111.2Y3 L4 A136 L140Y3-A131 HydrophobicContact CE2-CB 4.27Å; L4-A131 CarbonylContact O-C 3.13Å; L4-A131 WeakPolarHBondContact O-CA 3.48Å; L4-A131 WeakPolarHBondContact O-CB 3.4Å; A131-A136 HydrophobicContact CB-CB 3.56Å; A131-L140 HydrophobicContact CB-CD2 4.24Å; A131-L140 HydrophobicContact CB-CG 4.43Å
132H97.7Very high96.7Very high7 Ų744.7 Ų44.73%0.03224%0.244CC..EExtended strand (participates in β ladder)trans-122.1157.6172-77-68.8000111.1Y3 L4 V47 L102 Y117 M118Y3-H132 WeakPolarHBondContact CD2-O 3.4Å; L4-H132 HydrophobicContact CB-CB 4.27Å; L4-H132 HydrophobicContact CD1-CB 4.43Å; L4-H132 PolarHBondContact N-O 3.35Å; L4-H132 VanDerWaalsContact N-O 3.17Å; L4-H132 PolarHBondContact O-N 2.89Å; V47-H132 HydrophobicContact CG2-CB 3.96Å; L102-H132 PolarHBondContact N-NE2 2.84Å; L102-H132 PolarHBondContact O-NE2 2.98Å; L102-H132 VanDerWaalsContact O-NE2 3.15Å; Y117-H132 AromaticContact CD2-CE1 3.53Å; Y117-H132 AromaticContact CD2-NE2 3.44Å; Y117-H132 WeakPolarHBondContact CD2-NE2 3.33Å; Y117-H132 AromaticContact CE1-CE1 3.93Å; Y117-H132 AromaticContact CE2-CE1 2.94Å; Y117-H132 WeakPolarHBondContact CE2-CE1 3.44Å; Y117-H132 AromaticContact CE2-ND1 3.38Å; Y117-H132 WeakPolarHBondContact CE2-ND1 3.05Å; Y117-H132 AromaticContact CE2-NE2 3.37Å; Y117-H132 WeakPolarHBondContact CE2-NE2 2.99Å; Y117-H132 AromaticContact CZ-CE1 3.16Å; Y117-H132 AromaticContact CZ-ND1 3.74Å; Y117-H132 AromaticContact CZ-NE2 3.93Å; Y117-H132 PolarHBondContact OH-CE1 3.21Å; M118-H132 PolarHBondContact O-CE1 3.11Å; M118-H132 VanDerWaalsContact O-CE1 3.31Å; M118-H132 PolarHBondContact O-NE2 3.33Å
133G94.9Very high96.9Very high21 Ų2144.3 Ų44.322%0.21624%0.241CC..SBendtrans85.1172.8-176.200000112.9E2 G135 A136E2-G133 WeakPolarHBondContact O-CA 3.4Å; G133-G135 PolarHBondContact O-N 2.9Å; G133-A136 WeakPolarHBondContact O-CB 3.43Å; G133-A136 PolarHBondContact O-N 3.31Å
134Y95.1Very high96.9Very high127 Ų12747.4 Ų47.450%0.49825%0.251SS..THydrogen-bonded Turntrans-65-23.1-176.3-69.8-62.4000113.9M1 A136 Y137M1-Y134 HydrophobicContact CB-CD2 3.9Å; M1-Y134 HydrophobicContact CB-CE2 4.11Å; M1-Y134 HydrophobicContact CE-CD2 4.08Å; M1-Y134 HydrophobicContact CE-CE2 3.34Å; M1-Y134 HydrophobicContact CG-CD2 4.36Å; M1-Y134 HydrophobicContact CG-CE2 4.48Å; M1-Y134 HydrophobicContact SD-CD2 3.6Å; M1-Y134 HydrophobicContact SD-CE2 3.53Å; M1-Y134 VanDerWaalsContact SD-CE2 3.53Å; M1-Y134 HydrophobicContact SD-CG 4.23Å; Y134-A136 PolarHBondContact O-N 3.48Å; Y134-Y137 HydrophobicContact CD1-CD2 4.21Å; Y134-Y137 AromaticContact CD1-CE2 3.9Å; Y134-Y137 HydrophobicContact CD1-CE2 3.9Å; Y134-Y137 WeakPolarHBondContact O-CD2 3.23Å; Y134-Y137 PolarHBondContact O-N 3.44Å
135G94.3Very high96.8Very high0 Ų054.2 Ų54.20%027%0.273CS..THydrogen-bonded Turntrans-61.2-24.7173.400000113.2G133 Y137 L138 T139G133-G135 PolarHBondContact O-N 2.9Å; G135-Y137 PolarHBondContact O-N 2.92Å; G135-L138 PolarHBondContact O-N 3.46Å; G135-T139 PolarHBondContact O-N 3.19Å; G135-T139 VanDerWaalsContact O-N 3.15Å; G135-T139 PolarHBondContact O-OG1 3.31Å
136A95.9Very high96.8Very high8 Ų857.1 Ų57.17%0.06628%0.275CS..Hα-helixtrans-58.8-35.217900000112.4A131 G133 Y134 L138 T139 L140A131-A136 HydrophobicContact CB-CB 3.56Å; G133-A136 WeakPolarHBondContact O-CB 3.43Å; G133-A136 PolarHBondContact O-N 3.31Å; Y134-A136 PolarHBondContact O-N 3.48Å; A136-L138 PolarHBondContact O-N 3.11Å; A136-T139 PolarHBondContact O-N 3.15Å; A136-L140 HydrophobicContact CB-CD1 4.07Å; A136-L140 HydrophobicContact CB-CG 4.35Å; A136-L140 VanDerWaalsContact O-CB 3.26Å; A136-L140 WeakPolarHBondContact O-CB 3.48Å; A136-L140 WeakPolarHBondContact O-CD1 3.28Å; A136-L140 WeakPolarHBondContact O-CG 3.12Å; A136-L140 PolarHBondContact O-N 3.39Å
137Y95.5Very high96.8Very high184 Ų18453.8 Ų53.872%0.72226%0.259SS*.Hα-helixtrans-63-25.8178.3-67.5-76.2000113.3Y134 G135Y134-Y137 HydrophobicContact CD1-CD2 4.21Å; Y134-Y137 AromaticContact CD1-CE2 3.9Å; Y134-Y137 HydrophobicContact CD1-CE2 3.9Å; Y134-Y137 WeakPolarHBondContact O-CD2 3.23Å; Y134-Y137 PolarHBondContact O-N 3.44Å; G135-Y137 PolarHBondContact O-N 2.92Å
138L95.6Very high96.8Very high44 Ų4457.8 Ų57.823%0.2327%0.27CS..Hα-helixtrans-88.4-42.9178.2-60.2176.3000110.7G135 A136 S141 L167 R170 F171G135-L138 PolarHBondContact O-N 3.46Å; A136-L138 PolarHBondContact O-N 3.11Å; L138-S141 PolarHBondContact O-OG 2.96Å; L138-S141 VanDerWaalsContact O-OG 3.08Å; L138-L167 HydrophobicContact CB-CD2 4.32Å; L138-L167 HydrophobicContact CD1-CD2 4.07Å; L138-R170 HydrophobicContact CD1-CB 4.05Å; L138-R170 HydrophobicContact CD2-CB 4.46Å; L138-F171 HydrophobicContact CD1-CB 4.07Å; L138-F171 HydrophobicContact CD1-CD2 4.2Å
139T96.8Very high96.6Very high0 Ų059.7 Ų59.70%028%0.282CS..Hα-helixtrans-87.6-29-168.757.70000114Y3 G135 A136 S141 I142 L143 C163 L167Y3-T139 HydrophobicContact CE2-CG2 4.49Å; Y3-T139 WeakPolarHBondContact OH-CB 3.38Å; Y3-T139 VanDerWaalsContact OH-CG2 3.28Å; Y3-T139 WeakPolarHBondContact OH-CG2 3.32Å; Y3-T139 PolarHBondContact OH-OG1 3.46Å; G135-T139 PolarHBondContact O-N 3.19Å; G135-T139 VanDerWaalsContact O-N 3.15Å; G135-T139 PolarHBondContact O-OG1 3.31Å; A136-T139 PolarHBondContact O-N 3.15Å; T139-S141 VanDerWaalsContact C-N 3.26Å; T139-S141 PolarHBondContact O-N 2.97Å; T139-I142 WeakPolarHBondContact O-CB 3.39Å; T139-I142 PolarHBondContact O-N 2.9Å; T139-L143 WeakPolarHBondContact O-CG 3.35Å; T139-L143 PolarHBondContact O-N 3.02Å; T139-C163 HydrophobicContact CG2-CB 3.66Å; T139-L167 HydrophobicContact CG2-CD1 3.99Å; T139-L167 HydrophobicContact CG2-CD2 3.92Å; T139-L167 HydrophobicContact CG2-CG 3.7Å
140L97.6Very high96.4Very high61 Ų6162.8 Ų62.832%0.31930%0.3SS..Hα-helixtrans-59.1-38.1178-72.8171.7000112.1F129 A131 A136 I142 L143 D144F129-L140 HydrophobicContact CD2-CD2 4.17Å; F129-L140 HydrophobicContact CE2-CD2 4.39Å; A131-L140 HydrophobicContact CB-CD2 4.24Å; A131-L140 HydrophobicContact CB-CG 4.43Å; A136-L140 HydrophobicContact CB-CD1 4.07Å; A136-L140 HydrophobicContact CB-CG 4.35Å; A136-L140 VanDerWaalsContact O-CB 3.26Å; A136-L140 WeakPolarHBondContact O-CB 3.48Å; A136-L140 WeakPolarHBondContact O-CD1 3.28Å; A136-L140 WeakPolarHBondContact O-CG 3.12Å; A136-L140 PolarHBondContact O-N 3.39Å; L140-I142 VanDerWaalsContact C-N 3.3Å; L140-I142 PolarHBondContact O-N 2.85Å; L140-L143 HydrophobicContact CD2-CD1 4.3Å; L140-L143 PolarHBondContact O-N 2.88Å; L140-D144 WeakPolarHBondContact O-CB 3.48Å; L140-D144 PolarHBondContact O-N 2.87Å
141S97.1Very high96.2Very high76 Ų7662.8 Ų62.853%0.53130%0.299SS..Hα-helixtrans-66.5-30.1176.370.50000113.8L138 T139 R145L138-S141 PolarHBondContact O-OG 2.96Å; L138-S141 VanDerWaalsContact O-OG 3.08Å; T139-S141 VanDerWaalsContact C-N 3.26Å; T139-S141 PolarHBondContact O-N 2.97Å; S141-R145 PolarHBondContact O-N 3.02Å
142I97.6Very high96.1Very high23 Ų2366 Ų6612%0.11832%0.318CS..Hα-helixtrans-73.5-43.9175.3-62.6175.3000109.2T139 L140 R145 Y146 L159 K162 E166T139-I142 WeakPolarHBondContact O-CB 3.39Å; T139-I142 PolarHBondContact O-N 2.9Å; L140-I142 VanDerWaalsContact C-N 3.3Å; L140-I142 PolarHBondContact O-N 2.85Å; I142-R145 PolarHBondContact O-N 3.41Å; I142-Y146 HydrophobicContact CG2-CD2 3.79Å; I142-Y146 HydrophobicContact CG2-CE2 4.21Å; I142-Y146 VanDerWaalsContact O-CD2 3.3Å; I142-Y146 WeakPolarHBondContact O-CD2 3.39Å; I142-Y146 PolarHBondContact O-N 3.31Å; I142-Y146 VanDerWaalsContact O-N 3.07Å; I142-L159 HydrophobicContact CG2-CD1 4.12Å; I142-K162 HydrophobicContact CG2-CB 4.33Å; I142-E166 HydrophobicContact CD1-CB 3.48Å; I142-E166 VanDerWaalsContact CD1-CB 3.48Å; I142-E166 HydrophobicContact CD1-CG 3.76Å
143L97.4Very high96Very high0 Ų069.9 Ų69.90%033%0.333CS..Hα-helixtrans-60-50175.7-66.7168.6000110.6I5 I7 F129 T139 L140 R145 Y146 Y147 L159I5-L143 HydrophobicContact CD1-CD1 3.87Å; I5-L143 HydrophobicContact CD1-CD2 4.36Å; I5-L143 HydrophobicContact CD1-CG 4.49Å; I5-L143 HydrophobicContact CG1-CD1 4.34Å; I7-L143 HydrophobicContact CD1-CD2 3.72Å; I7-L143 HydrophobicContact CG1-CD2 3.87Å; F129-L143 HydrophobicContact CB-CD1 4.11Å; F129-L143 HydrophobicContact CD1-CB 4.46Å; F129-L143 HydrophobicContact CD2-CB 3.69Å; F129-L143 HydrophobicContact CD2-CD1 3.85Å; F129-L143 HydrophobicContact CD2-CG 4.36Å; F129-L143 HydrophobicContact CE2-CB 3.91Å; F129-L143 HydrophobicContact CG-CB 3.99Å; F129-L143 HydrophobicContact CG-CD1 4.19Å; F129-L143 HydrophobicContact CZ-CB 4.41Å; T139-L143 WeakPolarHBondContact O-CG 3.35Å; T139-L143 PolarHBondContact O-N 3.02Å; L140-L143 HydrophobicContact CD2-CD1 4.3Å; L140-L143 PolarHBondContact O-N 2.88Å; L143-R145 PolarHBondContact O-N 2.97Å; L143-R145 VanDerWaalsContact O-N 3.11Å; L143-Y146 PolarHBondContact O-N 3.5Å; L143-Y147 WeakPolarHBondContact O-CA 3.45Å; L143-Y147 WeakPolarHBondContact O-CB 3.31Å; L143-Y147 PolarHBondContact O-N 2.87Å; L143-L159 HydrophobicContact CD2-CD1 4.43Å; L143-L159 HydrophobicContact CD2-CD2 3.89Å; L143-L159 HydrophobicContact CD2-CG 3.98Å
144D97.3Very high96Very high117 Ų11774.9 Ų74.963%0.62635%0.354SS*.Hα-helixtrans-53.5-35.6176.4-81.6-6.7000112.9F129 L140F129-D144 WeakPolarHBondContact CE2-OD1 3.14Å; F129-D144 WeakPolarHBondContact CZ-OD1 3.41Å; L140-D144 WeakPolarHBondContact O-CB 3.48Å; L140-D144 PolarHBondContact O-N 2.87Å
145R97.5Very high96Very high190 Ų19072.2 Ų72.272%0.71735%0.347SS*.Hα-helixtrans-79.5-39.3-176.9-178.2175.1179.7109.13.1113.8S141 I142 L143S141-R145 PolarHBondContact O-N 3.02Å; I142-R145 PolarHBondContact O-N 3.41Å; L143-R145 PolarHBondContact O-N 2.97Å; L143-R145 VanDerWaalsContact O-N 3.11Å
146Y97.1Very high96.1Very high109 Ų10972.2 Ų72.243%0.42735%0.347SS..Hα-helixtrans-114.2-13.4-167.2-65.3-68.8000114I142 L143 L159I142-Y146 HydrophobicContact CG2-CD2 3.79Å; I142-Y146 HydrophobicContact CG2-CE2 4.21Å; I142-Y146 VanDerWaalsContact O-CD2 3.3Å; I142-Y146 WeakPolarHBondContact O-CD2 3.39Å; I142-Y146 PolarHBondContact O-N 3.31Å; I142-Y146 VanDerWaalsContact O-N 3.07Å; L143-Y146 PolarHBondContact O-N 3.5Å; Y146-L159 HydrophobicContact CD2-CD1 4.43Å; Y146-L159 HydrophobicContact CG-CD1 4.4Å
147Y97.7Very high96.1Very high42 Ų4273.5 Ų73.517%0.16535%0.353CS..  trans-63.7138.1177.9176.4-97.7000111.3I7 Q8 P128 F129 L143 P149 L151I7-Y147 HydrophobicContact CG2-CD2 4.06Å; I7-Y147 HydrophobicContact CG2-CE2 4.03Å; Q8-Y147 VanDerWaalsContact O-CE2 3.27Å; Q8-Y147 WeakPolarHBondContact O-CE2 3.29Å; Q8-Y147 PolarHBondContact O-OH 3.04Å; P128-Y147 HydrophobicContact CB-CE1 3.65Å; P128-Y147 HydrophobicContact CB-CE2 4.37Å; P128-Y147 WeakPolarHBondContact CB-OH 3.41Å; P128-Y147 HydrophobicContact CG-CE1 4.37Å; F129-Y147 AromaticContact CD1-CD1 3.8Å; F129-Y147 HydrophobicContact CD1-CD1 3.8Å; F129-Y147 AromaticContact CD1-CD2 3.77Å; F129-Y147 HydrophobicContact CD1-CD2 3.77Å; F129-Y147 HydrophobicContact CD1-CE1 4.21Å; F129-Y147 HydrophobicContact CD1-CE2 4.19Å; F129-Y147 AromaticContact CD1-CG 3.55Å; F129-Y147 HydrophobicContact CD1-CG 3.55Å; F129-Y147 AromaticContact CE1-CD1 3.67Å; F129-Y147 HydrophobicContact CE1-CD1 3.67Å; F129-Y147 HydrophobicContact CE1-CD2 4.4Å; F129-Y147 HydrophobicContact CE1-CE1 4.3Å; F129-Y147 AromaticContact CE1-CG 3.73Å; F129-Y147 HydrophobicContact CE1-CG 3.73Å; L143-Y147 WeakPolarHBondContact O-CA 3.45Å; L143-Y147 WeakPolarHBondContact O-CB 3.31Å; L143-Y147 PolarHBondContact O-N 2.87Å; Y147-P149 HydrophobicContact CE1-CG 4.35Å; Y147-L151 HydrophobicContact CD2-CD1 3.71Å; Y147-L151 HydrophobicContact CE2-CD1 4.09Å; Y147-L151 HydrophobicContact CG-CD1 4.46Å
148R95.8Very high96.1Very high105 Ų10568.4 Ų68.440%0.39634%0.338SS..  trans-136.1146.2167.4-53.5-172.8-57.7-91.30.4109.8D150 L151 E155R148-D150 WeakPolarHBondContact CB-OD1 3.39Å; R148-D150 IonicContact NE-OD1 3.47Å; R148-D150 PolarHBondContact NE-OD1 2.77Å; R148-D150 PolarHBondContact O-N 3.21Å; R148-L151 HydrophobicContact CB-CG 4.24Å; R148-L151 WeakPolarHBondContact O-CD1 3.36Å; R148-L151 WeakPolarHBondContact O-CG 3.07Å; R148-L151 PolarHBondContact O-N 3.11Å; R148-E155 IonicContact CZ-OE1 3.89Å; R148-E155 VanDerWaalsContact NH2-CD 3.25Å; R148-E155 IonicContact NH2-OE1 3.08Å; R148-E155 PolarHBondContact NH2-OE1 3.35Å; R148-E155 IonicContact NH2-OE2 2.84Å; R148-E155 PolarHBondContact NH2-OE2 3.09Å
149P93Very high96.2Very high94 Ų9466.6 Ų66.661%0.6133%0.329SS*.THydrogen-bonded Turntrans-63.4-22.9178.6-23.534.7000114.4Y147Y147-P149 HydrophobicContact CE1-CG 4.35Å
150D94.4Very high96.2Very high97 Ų9766.8 Ų66.852%0.51933%0.33SS..THydrogen-bonded Turntrans-97.818.1-177.766-22.4000113.3R148 T152R148-D150 WeakPolarHBondContact CB-OD1 3.39Å; R148-D150 IonicContact NE-OD1 3.47Å; R148-D150 PolarHBondContact NE-OD1 2.77Å; R148-D150 PolarHBondContact O-N 3.21Å; D150-T152 PolarHBondContact O-N 3.21Å
151L94.1Very high96.1Very high7 Ų768.4 Ų68.44%0.03733%0.334CS..  trans-57.9132177.6-79.3166.9000111.3F12 Y147 R148 E155 L159F12-L151 WeakPolarHBondContact CE1-O 3.3Å; Y147-L151 HydrophobicContact CD2-CD1 3.71Å; Y147-L151 HydrophobicContact CE2-CD1 4.09Å; Y147-L151 HydrophobicContact CG-CD1 4.46Å; R148-L151 HydrophobicContact CB-CG 4.24Å; R148-L151 WeakPolarHBondContact O-CD1 3.36Å; R148-L151 WeakPolarHBondContact O-CG 3.07Å; R148-L151 PolarHBondContact O-N 3.11Å; L151-E155 HydrophobicContact CD2-CB 3.58Å; L151-L159 HydrophobicContact CD1-CD2 3.99Å
152T95.8Very high96Very high73 Ų7369.7 Ų69.745%0.44833%0.331SS..  trans-74.3165.2167.570.10000111D150 D154 E155 A156D150-T152 PolarHBondContact O-N 3.21Å; T152-D154 VanDerWaalsContact C-N 3.29Å; T152-D154 PolarHBondContact O-N 3.19Å; T152-E155 PolarHBondContact N-OE2 3.41Å; T152-E155 VanDerWaalsContact N-OE2 3.11Å; T152-E155 PolarHBondContact O-N 2.91Å; T152-E155 VanDerWaalsContact OG1-CG 3.3Å; T152-E155 WeakPolarHBondContact OG1-CG 3.48Å; T152-E155 PolarHBondContact OG1-N 2.96Å; T152-E155 PolarHBondContact OG1-OE2 2.88Å; T152-A156 PolarHBondContact O-N 2.98Å
153R95Very high96Very high90 Ų9068.6 Ų68.634%0.3433%0.325SS..Hα-helixtrans-55.7-44.5177.8-62.1179-172.3-154-3.2111.8D11 F12 A156 V157 L182 D184D11-R153 IonicContact OD2-CZ 3.02Å; D11-R153 IonicContact OD2-NE 3.97Å; D11-R153 IonicContact OD2-NH2 2.62Å; D11-R153 PolarHBondContact OD2-NH2 3.31Å; F12-R153 HydrophobicContact CD1-CG 3.57Å; F12-R153 HydrophobicContact CE1-CB 4.31Å; F12-R153 HydrophobicContact CE1-CG 3.65Å; F12-R153 HydrophobicContact CG-CG 4.05Å; F12-R153 HydrophobicContact CZ-CB 4.42Å; F12-R153 HydrophobicContact CZ-CG 4.18Å; R153-A156 PolarHBondContact O-N 3.27Å; R153-V157 WeakPolarHBondContact O-CG2 3.45Å; R153-V157 PolarHBondContact O-N 3.37Å; R153-L182 HydrophobicContact CB-CD1 4.21Å; R153-L182 HydrophobicContact CG-CD1 4.01Å; R153-D184 IonicContact CZ-OD2 2.74Å; R153-D184 VanDerWaalsContact CZ-OD2 3.27Å; R153-D184 IonicContact NH1-OD2 2.83Å; R153-D184 PolarHBondContact NH1-OD2 3.5Å; R153-D184 IonicContact NH2-OD2 2.69Å; R153-D184 PolarHBondContact NH2-OD2 3.35Å; R153-D184 VanDerWaalsContact NH2-OD2 3.09Å
154D94.6Very high95.9Very high126 Ų12668.8 Ų68.867%0.67433%0.326SS*.Hα-helixtrans-67.5-42.9-179.9-64.6-28.9000111.8T152 A156 V157 D158T152-D154 VanDerWaalsContact C-N 3.29Å; T152-D154 PolarHBondContact O-N 3.19Å; D154-A156 VanDerWaalsContact C-N 3.31Å; D154-A156 PolarHBondContact O-N 2.98Å; D154-V157 PolarHBondContact O-N 2.98Å; D154-D158 PolarHBondContact O-N 2.83Å
155E95.8Very high95.7Very high71 Ų7169.3 Ų69.333%0.33233%0.325SS..Hα-helixtrans-64.2-36.5177-69.5-178.6127.400112.3R148 L151 T152 D158 L159R148-E155 IonicContact CZ-OE1 3.89Å; R148-E155 VanDerWaalsContact NH2-CD 3.25Å; R148-E155 IonicContact NH2-OE1 3.08Å; R148-E155 PolarHBondContact NH2-OE1 3.35Å; R148-E155 IonicContact NH2-OE2 2.84Å; R148-E155 PolarHBondContact NH2-OE2 3.09Å; L151-E155 HydrophobicContact CD2-CB 3.58Å; T152-E155 PolarHBondContact N-OE2 3.41Å; T152-E155 VanDerWaalsContact N-OE2 3.11Å; T152-E155 PolarHBondContact O-N 2.91Å; T152-E155 VanDerWaalsContact OG1-CG 3.3Å; T152-E155 WeakPolarHBondContact OG1-CG 3.48Å; T152-E155 PolarHBondContact OG1-N 2.96Å; T152-E155 PolarHBondContact OG1-OE2 2.88Å; E155-D158 PolarHBondContact O-N 2.87Å; E155-L159 WeakPolarHBondContact O-CB 3.38Å; E155-L159 PolarHBondContact O-N 2.92Å
156A96.4Very high95.5Very high0 Ų062.3 Ų62.30%030%0.3CS..Hα-helixtrans-67.2-39.1175.200000112F12 L14 T152 R153 D154 L159 L160F12-A156 HydrophobicContact CE2-CB 3.61Å; F12-A156 HydrophobicContact CZ-CB 3.56Å; L14-A156 HydrophobicContact CD2-CB 4.12Å; T152-A156 PolarHBondContact O-N 2.98Å; R153-A156 PolarHBondContact O-N 3.27Å; D154-A156 VanDerWaalsContact C-N 3.31Å; D154-A156 PolarHBondContact O-N 2.98Å; A156-L159 PolarHBondContact O-N 3.42Å; A156-L160 WeakPolarHBondContact O-CB 3.35Å; A156-L160 PolarHBondContact O-N 2.99Å
157V96.1Very high95.3Very high34 Ų3457.3 Ų57.321%0.20628%0.281CS..Hα-helixtrans-64.2-41.8173.3169.80000110.7L14 R153 D154 L160 K161 L191L14-V157 HydrophobicContact CD1-CG2 4.27Å; L14-V157 HydrophobicContact CD2-CG2 3.98Å; R153-V157 WeakPolarHBondContact O-CG2 3.45Å; R153-V157 PolarHBondContact O-N 3.37Å; D154-V157 PolarHBondContact O-N 2.98Å; V157-L160 WeakPolarHBondContact O-CB 3.22Å; V157-L160 PolarHBondContact O-N 3.09Å; V157-K161 WeakPolarHBondContact O-CG 3.32Å; V157-K161 PolarHBondContact O-N 3.31Å; V157-L191 HydrophobicContact CG2-CD1 4.16Å
158D96Very high95Very high77 Ų7758.9 Ų58.941%0.41229%0.292SS..Hα-helixtrans-67.8-35.2176.8-76.6-13.1000112.7D154 E155 K161 K162D154-D158 PolarHBondContact O-N 2.83Å; E155-D158 PolarHBondContact O-N 2.87Å; D158-K161 WeakPolarHBondContact O-CB 3.48Å; D158-K161 PolarHBondContact O-N 3.28Å; D158-K161 IonicContact OD1-NZ 3.46Å; D158-K161 PolarHBondContact OD1-NZ 2.94Å; D158-K162 WeakPolarHBondContact O-CG 3.32Å; D158-K162 PolarHBondContact O-N 2.83Å; D158-K162 VanDerWaalsContact O-N 3.1Å
159L96.9Very high94.8Very high7 Ų761.6 Ų61.64%0.03731%0.307CS..Hα-helixtrans-63.4-41.9170.5179.254.5000111.6I7 I142 L143 Y146 L151 E155 A156 K162 C163I7-L159 HydrophobicContact CD1-CD2 4.41Å; I7-L159 HydrophobicContact CD1-CG 4.33Å; I142-L159 HydrophobicContact CG2-CD1 4.12Å; L143-L159 HydrophobicContact CD2-CD1 4.43Å; L143-L159 HydrophobicContact CD2-CD2 3.89Å; L143-L159 HydrophobicContact CD2-CG 3.98Å; Y146-L159 HydrophobicContact CD2-CD1 4.43Å; Y146-L159 HydrophobicContact CG-CD1 4.4Å; L151-L159 HydrophobicContact CD1-CD2 3.99Å; E155-L159 WeakPolarHBondContact O-CB 3.38Å; E155-L159 PolarHBondContact O-N 2.92Å; A156-L159 PolarHBondContact O-N 3.42Å; L159-K162 WeakPolarHBondContact O-CB 3.33Å; L159-K162 PolarHBondContact O-N 3.49Å; L159-C163 PolarHBondContact O-N 3.07Å; L159-C163 VanDerWaalsContact O-N 3.14Å; L159-C163 PolarHBondContact O-SG 2.95Å
160L96.9Very high94.8Very high3 Ų365 Ų652%0.01631%0.307CS..Hα-helixtrans-62.3-42.2174.317864.4000111.5I5 I7 L14 A16 A156 V157 K162 C163 V164 V180 L194I5-L160 HydrophobicContact CD1-CD1 4.02Å; I5-L160 HydrophobicContact CG1-CD1 4.47Å; I5-L160 HydrophobicContact CG2-CD1 3.56Å; I7-L160 HydrophobicContact CD1-CB 4.32Å; L14-L160 HydrophobicContact CD2-CB 4.16Å; L14-L160 HydrophobicContact CD2-CD2 3.95Å; L14-L160 HydrophobicContact CG-CD2 4.4Å; A16-L160 HydrophobicContact CB-CD1 4.02Å; A16-L160 HydrophobicContact CB-CD2 3.85Å; A156-L160 WeakPolarHBondContact O-CB 3.35Å; A156-L160 PolarHBondContact O-N 2.99Å; V157-L160 WeakPolarHBondContact O-CB 3.22Å; V157-L160 PolarHBondContact O-N 3.09Å; L160-K162 VanDerWaalsContact C-N 3.33Å; L160-K162 PolarHBondContact O-N 2.76Å; L160-C163 WeakPolarHBondContact O-CB 3.14Å; L160-C163 PolarHBondContact O-N 2.96Å; L160-C163 VanDerWaalsContact O-N 3.12Å; L160-V164 HydrophobicContact CD1-CG2 4.46Å; L160-V164 PolarHBondContact O-N 2.94Å; L160-V180 HydrophobicContact CD2-CG1 3.78Å; L160-V180 HydrophobicContact CD2-CG2 3.94Å; L160-L194 HydrophobicContact CD2-CD2 4.36Å; L160-L194 HydrophobicContact CG-CD2 4.1Å
161K95.9Very high94.8Very high95 Ų9561.9 Ų61.941%0.41329%0.289SS..Hα-helixtrans-57.1-44.7174.8-71.2174.4-168.41530111.9V157 D158 C163 V164 E165 L194V157-K161 WeakPolarHBondContact O-CG 3.32Å; V157-K161 PolarHBondContact O-N 3.31Å; D158-K161 WeakPolarHBondContact O-CB 3.48Å; D158-K161 PolarHBondContact O-N 3.28Å; D158-K161 IonicContact OD1-NZ 3.46Å; D158-K161 PolarHBondContact OD1-NZ 2.94Å; K161-C163 VanDerWaalsContact C-N 3.3Å; K161-C163 PolarHBondContact O-N 3.41Å; K161-V164 PolarHBondContact O-N 2.97Å; K161-E165 WeakPolarHBondContact O-CB 3.36Å; K161-E165 PolarHBondContact O-N 3.38Å; K161-L194 HydrophobicContact CG-CD1 3.77Å; K161-L194 HydrophobicContact CG-CD2 4.16Å
162K95.7Very high94.6Very high104 Ų10469.2 Ų69.245%0.45233%0.327SS..Hα-helixtrans-59.5-40.6175.7-69173-172.2-620112.1I142 D158 L159 L160 E166I142-K162 HydrophobicContact CG2-CB 4.33Å; D158-K162 WeakPolarHBondContact O-CG 3.32Å; D158-K162 PolarHBondContact O-N 2.83Å; D158-K162 VanDerWaalsContact O-N 3.1Å; L159-K162 WeakPolarHBondContact O-CB 3.33Å; L159-K162 PolarHBondContact O-N 3.49Å; L160-K162 VanDerWaalsContact C-N 3.33Å; L160-K162 PolarHBondContact O-N 2.76Å; K162-E166 PolarHBondContact O-N 3.31Å; K162-E166 VanDerWaalsContact O-N 3.12Å
163C96.4Very high94.3Very high0 Ų069.5 Ų69.50%033%0.325CS..Hα-helixtrans-63.8-45.3176.4-65.80000111.4I5 T139 L159 L160 K161 E166 L167I5-C163 HydrophobicContact CD1-CB 4.14Å; T139-C163 HydrophobicContact CG2-CB 3.66Å; L159-C163 PolarHBondContact O-N 3.07Å; L159-C163 VanDerWaalsContact O-N 3.14Å; L159-C163 PolarHBondContact O-SG 2.95Å; L160-C163 WeakPolarHBondContact O-CB 3.14Å; L160-C163 PolarHBondContact O-N 2.96Å; L160-C163 VanDerWaalsContact O-N 3.12Å; K161-C163 VanDerWaalsContact C-N 3.3Å; K161-C163 PolarHBondContact O-N 3.41Å; C163-E166 PolarHBondContact O-N 2.95Å; C163-L167 WeakPolarHBondContact O-CG 3.48Å; C163-L167 PolarHBondContact O-N 3.4Å
164V94.4Very high93.8Very high4 Ų470 Ų702%0.02434%0.335CS..Hα-helixtrans-67.3-36.3179169.50000112.3L160 K161 L167 N168 F178 L194 P196L160-V164 HydrophobicContact CD1-CG2 4.46Å; L160-V164 PolarHBondContact O-N 2.94Å; K161-V164 PolarHBondContact O-N 2.97Å; V164-L167 PolarHBondContact O-N 3.22Å; V164-N168 PolarHBondContact O-N 3.33Å; V164-F178 HydrophobicContact CB-CE2 4.37Å; V164-F178 HydrophobicContact CG1-CD2 3.79Å; V164-F178 HydrophobicContact CG1-CE2 3.55Å; V164-F178 HydrophobicContact CG1-CZ 4.4Å; V164-F178 HydrophobicContact CG2-CD2 3.93Å; V164-F178 HydrophobicContact CG2-CE2 3.99Å; V164-F178 HydrophobicContact CG2-CG 4.22Å; V164-F178 HydrophobicContact CG2-CZ 4.3Å; V164-L194 HydrophobicContact CB-CD2 3.91Å; V164-L194 HydrophobicContact CG1-CD2 4.22Å; V164-L194 HydrophobicContact CG1-CG 4.37Å; V164-L194 HydrophobicContact CG2-CD2 3.62Å; V164-P196 HydrophobicContact CG1-CB 4.41Å; V164-P196 HydrophobicContact CG1-CG 3.9Å
165E93.6Very high93.5Very high128 Ų12864.7 Ų64.760%0.59831%0.306SS*.Hα-helixtrans-62.3-44.3174.1-171.6-179.1176.500111.5K161 L167 N168 K169K161-E165 WeakPolarHBondContact O-CB 3.36Å; K161-E165 PolarHBondContact O-N 3.38Å; E165-L167 VanDerWaalsContact C-N 3.34Å; E165-L167 PolarHBondContact O-N 2.89Å; E165-N168 PolarHBondContact O-N 3.02Å; E165-K169 WeakPolarHBondContact O-CB 3.14Å; E165-K169 PolarHBondContact O-N 3.44Å
166E93.7Very high93.1Very high43 Ų4362 Ų6220%0.20130%0.295CS..Hα-helixtrans-66.1-38.3177.3-168.772.2171.300112I142 K162 C163 K169 R170I142-E166 HydrophobicContact CD1-CB 3.48Å; I142-E166 VanDerWaalsContact CD1-CB 3.48Å; I142-E166 HydrophobicContact CD1-CG 3.76Å; K162-E166 PolarHBondContact O-N 3.31Å; K162-E166 VanDerWaalsContact O-N 3.12Å; C163-E166 PolarHBondContact O-N 2.95Å; E166-K169 PolarHBondContact O-N 3.42Å; E166-R170 PolarHBondContact O-N 3.29Å; E166-R170 VanDerWaalsContact OE1-CD 3.27Å; E166-R170 WeakPolarHBondContact OE1-CD 3.4Å; E166-R170 IonicContact OE1-CZ 3.18Å; E166-R170 IonicContact OE1-NE 2.74Å; E166-R170 PolarHBondContact OE1-NE 3.37Å; E166-R170 IonicContact OE1-NH2 3.9Å; E166-R170 PolarHBondContact OE1-NH2 3Å; E166-R170 IonicContact OE2-NE 2.81Å
167L93.5Very high92.9Very high4 Ų462.2 Ų62.22%0.02130%0.297CS..Hα-helixtrans-59.2-48.7172.1-71.5175.1000110.8Y3 L138 T139 C163 V164 E165 K169 R170 F171 F178Y3-L167 HydrophobicContact CD1-CD1 3.87Å; Y3-L167 HydrophobicContact CD2-CD1 4.41Å; Y3-L167 HydrophobicContact CE1-CD1 3.52Å; Y3-L167 HydrophobicContact CE2-CD1 4.13Å; Y3-L167 HydrophobicContact CG-CD1 4.25Å; L138-L167 HydrophobicContact CB-CD2 4.32Å; L138-L167 HydrophobicContact CD1-CD2 4.07Å; T139-L167 HydrophobicContact CG2-CD1 3.99Å; T139-L167 HydrophobicContact CG2-CD2 3.92Å; T139-L167 HydrophobicContact CG2-CG 3.7Å; C163-L167 WeakPolarHBondContact O-CG 3.48Å; C163-L167 PolarHBondContact O-N 3.4Å; V164-L167 PolarHBondContact O-N 3.22Å; E165-L167 VanDerWaalsContact C-N 3.34Å; E165-L167 PolarHBondContact O-N 2.89Å; L167-K169 PolarHBondContact O-N 3.37Å; L167-R170 PolarHBondContact O-N 3.43Å; L167-F171 HydrophobicContact CB-CB 4.44Å; L167-F171 HydrophobicContact CD2-CB 4.27Å; L167-F171 HydrophobicContact CD2-CG 4.37Å; L167-F171 WeakPolarHBondContact O-CA 3.28Å; L167-F171 WeakPolarHBondContact O-CB 3.26Å; L167-F171 PolarHBondContact O-N 2.79Å; L167-F178 HydrophobicContact CD1-CE1 4.41Å; L167-F178 HydrophobicContact CD1-CZ 4.16Å
168N91.5Very high92.9Very high74 Ų7460.7 Ų60.740%0.39629%0.287SS..Hα-helixtrans-60.4-36.3179.6-174.3-90.5000112.6V164 E165 P196V164-N168 PolarHBondContact O-N 3.33Å; E165-N168 PolarHBondContact O-N 3.02Å; N168-P196 HydrophobicContact CB-CB 3.69Å; N168-P196 HydrophobicContact CB-CG 4.2Å; N168-P196 WeakPolarHBondContact ND2-CB 3.16Å
169K91.6Very high93Very high162 Ų16257.7 Ų57.770%0.70427%0.271SS*.Hα-helixtrans-77.6-37.8-177.6-172.3174.4-178.2175.60114E165 E166 L167E165-K169 WeakPolarHBondContact O-CB 3.14Å; E165-K169 PolarHBondContact O-N 3.44Å; E166-K169 PolarHBondContact O-N 3.42Å; L167-K169 PolarHBondContact O-N 3.37Å
170R92.4Very high93Very high166 Ų16657.6 Ų57.663%0.62627%0.271SS*.Hα-helixtrans-118.6-18.1-169-60-157.9-166.3-162.318115.1L138 E166 L167L138-R170 HydrophobicContact CD1-CB 4.05Å; L138-R170 HydrophobicContact CD2-CB 4.46Å; E166-R170 PolarHBondContact O-N 3.29Å; E166-R170 VanDerWaalsContact OE1-CD 3.27Å; E166-R170 WeakPolarHBondContact OE1-CD 3.4Å; E166-R170 IonicContact OE1-CZ 3.18Å; E166-R170 IonicContact OE1-NE 2.74Å; E166-R170 PolarHBondContact OE1-NE 3.37Å; E166-R170 IonicContact OE1-NH2 3.9Å; E166-R170 PolarHBondContact OE1-NH2 3Å; E166-R170 IonicContact OE2-NE 2.81Å; L167-R170 PolarHBondContact O-N 3.43Å
171F93.8Very high93Very high31 Ų3159 Ų5914%0.13628%0.276CS..  trans-80.1135-178.7-163.2-128.8000110.5L138 L167 L173 L175L138-F171 HydrophobicContact CD1-CB 4.07Å; L138-F171 HydrophobicContact CD1-CD2 4.2Å; L167-F171 HydrophobicContact CB-CB 4.44Å; L167-F171 HydrophobicContact CD2-CB 4.27Å; L167-F171 HydrophobicContact CD2-CG 4.37Å; L167-F171 WeakPolarHBondContact O-CA 3.28Å; L167-F171 WeakPolarHBondContact O-CB 3.26Å; L167-F171 PolarHBondContact O-N 2.79Å; F171-L173 VanDerWaalsContact C-N 3.3Å; F171-L173 HydrophobicContact CD1-CB 3.9Å; F171-L173 WeakPolarHBondContact CD1-O 3.4Å; F171-L173 HydrophobicContact CE1-CB 3.61Å; F171-L173 HydrophobicContact CE1-CD1 3.94Å; F171-L173 HydrophobicContact CE1-CG 3.95Å; F171-L173 HydrophobicContact CZ-CB 4.37Å; F171-L173 HydrophobicContact CZ-CD1 4.05Å; F171-L173 HydrophobicContact CZ-CG 4.22Å; F171-L173 PolarHBondContact O-N 3.4Å; F171-L175 HydrophobicContact CD1-CD1 3.96Å; F171-L175 HydrophobicContact CD1-CG 4.24Å; F171-L175 HydrophobicContact CE1-CD1 3.99Å; F171-L175 HydrophobicContact CE1-CG 4.37Å
172I91.1Very high93.1Very high162 Ų16255 Ų5583%0.83126%0.259SS*.SBendtrans-70.5-27-175.2-167.5166.3000113
173L88.7Confident93.2Very high78 Ų7850 Ų5041%0.40824%0.238SC..SBendtrans-89.3134.1178.1-55.4179.1000109.8F171 L175F171-L173 VanDerWaalsContact C-N 3.3Å; F171-L173 HydrophobicContact CD1-CB 3.9Å; F171-L173 WeakPolarHBondContact CD1-O 3.4Å; F171-L173 HydrophobicContact CE1-CB 3.61Å; F171-L173 HydrophobicContact CE1-CD1 3.94Å; F171-L173 HydrophobicContact CE1-CG 3.95Å; F171-L173 HydrophobicContact CZ-CB 4.37Å; F171-L173 HydrophobicContact CZ-CD1 4.05Å; F171-L173 HydrophobicContact CZ-CG 4.22Å; F171-L173 PolarHBondContact O-N 3.4Å; L173-L175 PolarHBondContact O-N 3.01Å
174N84Confident93.2Very high101 Ų10150.1 Ų50.154%0.5424%0.238SC..  trans-74.9114.3173.7-176.518.7000110.3I20 Q27I20-N174 WeakPolarHBondContact CD1-O 3.34Å; Q27-N174 PolarHBondContact NE2-O 3.47Å
175L89.9Confident93.2Very high14 Ų1453.3 Ų53.37%0.07326%0.258CS..  trans-11298.5175.1-56-179.3000109.4D18 I20 F171 L173 F178 P196D18-L175 HydrophobicContact CB-CD1 4.29Å; D18-L175 HydrophobicContact CB-CD2 4.15Å; I20-L175 HydrophobicContact CD1-CD2 3.75Å; F171-L175 HydrophobicContact CD1-CD1 3.96Å; F171-L175 HydrophobicContact CD1-CG 4.24Å; F171-L175 HydrophobicContact CE1-CD1 3.99Å; F171-L175 HydrophobicContact CE1-CG 4.37Å; L173-L175 PolarHBondContact O-N 3.01Å; L175-F178 HydrophobicContact CB-CE1 4.48Å; L175-F178 HydrophobicContact CB-CE2 4.07Å; L175-F178 HydrophobicContact CB-CZ 3.65Å; L175-F178 HydrophobicContact CD1-CE1 4.08Å; L175-F178 HydrophobicContact CD1-CZ 3.75Å; L175-F178 HydrophobicContact CG-CZ 4.37Å; L175-P196 WeakPolarHBondContact O-CG 3.25Å
176P87.4Confident93.2Very high15 Ų1554.8 Ų54.810%0.09727%0.265CS..  trans-80.4-25-167.931.1-35.7000113.8I20 P196I20-P176 HydrophobicContact CD1-CG 4.27Å; I20-P176 HydrophobicContact CG1-CG 4.38Å; P176-P196 WeakPolarHBondContact O-CD 3.38Å
177S92.5Very high93.2Very high5 Ų553 Ų534%0.03526%0.258CS..  trans-152.9153.6-179.265.70000111.8N19 L194N19-S177 WeakPolarHBondContact CB-OG 3.41Å; N19-S177 PolarHBondContact N-O 3.27Å; N19-S177 VanDerWaalsContact OD1-C 3.23Å; N19-S177 WeakPolarHBondContact OD1-CB 3.33Å; N19-S177 PolarHBondContact OD1-O 3.03Å; N19-S177 PolarHBondContact OD1-OG 3.26Å; S177-L194 CarbonylContact C-O 3.48Å; S177-L194 WeakPolarHBondContact CA-O 3.25Å
178F95.4Very high93.4Very high2 Ų254.7 Ų54.71%0.00927%0.267CS..EExtended strand (participates in β ladder)trans-126.5130.6174.8-61.8-96.9000109.6Y3 A17 D18 N19 V164 L167 L175 K193 L194 P196Y3-F178 HydrophobicContact CD1-CD1 4.33Å; Y3-F178 AromaticContact CD1-CE1 3.67Å; Y3-F178 HydrophobicContact CD1-CE1 3.67Å; Y3-F178 HydrophobicContact CE1-CE1 4.21Å; A17-F178 CarbonylContact O-C 3.57Å; A17-F178 WeakPolarHBondContact O-CA 3.45Å; D18-F178 HydrophobicContact CB-CD1 4.13Å; D18-F178 HydrophobicContact CB-CE1 3.88Å; N19-F178 WeakPolarHBondContact OD1-CA 3.48Å; N19-F178 PolarHBondContact OD1-N 2.92Å; V164-F178 HydrophobicContact CB-CE2 4.37Å; V164-F178 HydrophobicContact CG1-CD2 3.79Å; V164-F178 HydrophobicContact CG1-CE2 3.55Å; V164-F178 HydrophobicContact CG1-CZ 4.4Å; V164-F178 HydrophobicContact CG2-CD2 3.93Å; V164-F178 HydrophobicContact CG2-CE2 3.99Å; V164-F178 HydrophobicContact CG2-CG 4.22Å; V164-F178 HydrophobicContact CG2-CZ 4.3Å; L167-F178 HydrophobicContact CD1-CE1 4.41Å; L167-F178 HydrophobicContact CD1-CZ 4.16Å; L175-F178 HydrophobicContact CB-CE1 4.48Å; L175-F178 HydrophobicContact CB-CE2 4.07Å; L175-F178 HydrophobicContact CB-CZ 3.65Å; L175-F178 HydrophobicContact CD1-CE1 4.08Å; L175-F178 HydrophobicContact CD1-CZ 3.75Å; L175-F178 HydrophobicContact CG-CZ 4.37Å; F178-K193 WeakPolarHBondContact O-CA 3.5Å; F178-L194 HydrophobicContact CB-CB 4.4Å; F178-L194 PolarHBondContact N-O 3.02Å; F178-L194 PolarHBondContact O-N 3.47Å; F178-P196 HydrophobicContact CE2-CG 4.42Å
179T96.8Very high93.6Very high13 Ų1354.1 Ų54.18%0.0826%0.262CS..EExtended strand (participates in β ladder)trans-75.7132.5164.5-690000107.7A16 A17 N19 M35 R181A16-T179 WeakPolarHBondContact CA-O 3.47Å; A17-T179 PolarHBondContact N-O 3.23Å; A17-T179 VanDerWaalsContact N-O 3.09Å; A17-T179 PolarHBondContact O-N 2.92Å; N19-T179 PolarHBondContact ND2-OG1 2.94Å; N19-T179 PolarHBondContact OD1-N 3.04Å; M35-T179 HydrophobicContact CE-CG2 4.11Å; M35-T179 WeakPolarHBondContact CE-O 3.25Å; M35-T179 HydrophobicContact SD-CG2 4.34Å; T179-R181 HydrophobicContact CG2-CG 4.44Å
180V97.5Very high93.8Very high6 Ų651.8 Ų51.84%0.03626%0.257CS..EExtended strand (participates in β ladder)trans-122130.5179.6-1720000108.7L14 V15 A16 L160 L191 L194L14-V180 HydrophobicContact CD1-CG1 3.56Å; L14-V180 HydrophobicContact CG-CG1 4.23Å; V15-V180 WeakPolarHBondContact O-CA 3.39Å; A16-V180 HydrophobicContact CB-CG2 4.03Å; L160-V180 HydrophobicContact CD2-CG1 3.78Å; L160-V180 HydrophobicContact CD2-CG2 3.94Å; V180-L191 HydrophobicContact CB-CB 4.23Å; V180-L191 HydrophobicContact CG1-CB 4.31Å; V180-L191 HydrophobicContact CG1-CD1 4.04Å; V180-L191 PolarHBondContact O-N 2.85Å; V180-L194 HydrophobicContact CG2-CB 3.9Å
181R98.1Very high93.9Very high33 Ų3347 Ų4713%0.12524%0.244CC..EExtended strand (participates in β ladder)trans-129.3142.8175.6-71.8-177.9174.5148.810.1110.4V15 D33 M35 L43 T179 I188 H189 D190V15-R181 HydrophobicContact CG2-CB 3.99Å; V15-R181 WeakPolarHBondContact CG2-O 3.27Å; V15-R181 PolarHBondContact N-O 3.17Å; V15-R181 PolarHBondContact O-N 3.35Å; D33-R181 IonicContact OD1-NH1 2.72Å; D33-R181 IonicContact OD2-CZ 2.92Å; D33-R181 VanDerWaalsContact OD2-CZ 3.31Å; D33-R181 IonicContact OD2-NH1 3.09Å; D33-R181 PolarHBondContact OD2-NH1 2.96Å; D33-R181 IonicContact OD2-NH2 3.27Å; D33-R181 PolarHBondContact OD2-NH2 3.38Å; M35-R181 PolarHBondContact O-NH1 3.17Å; M35-R181 HydrophobicContact SD-CB 4.11Å; M35-R181 HydrophobicContact SD-CG 3.91Å; L43-R181 HydrophobicContact CD1-CB 4.4Å; T179-R181 HydrophobicContact CG2-CG 4.44Å; R181-I188 HydrophobicContact CB-CG2 4.39Å; R181-H189 WeakPolarHBondContact CA-O 3.35Å; R181-D190 WeakPolarHBondContact CG-OD1 3.42Å; R181-D190 IonicContact CZ-OD1 3.67Å; R181-D190 IonicContact NE-OD1 3.53Å; R181-D190 PolarHBondContact NE-OD1 2.73Å; R181-D190 IonicContact NH2-OD1 3.97Å; R181-D190 PolarHBondContact NH2-OD1 3.43Å
182L97.6Very high93.7Very high9 Ų953.9 Ų53.95%0.04728%0.276CS..EExtended strand (participates in β ladder)trans-113.8131.9174.7-176.1146.3000109F12 L14 R153 D184 H189 L191F12-L182 HydrophobicContact CB-CD1 4.36Å; F12-L182 HydrophobicContact CB-CD2 4.09Å; F12-L182 HydrophobicContact CB-CG 4.13Å; F12-L182 HydrophobicContact CD2-CD1 3.89Å; F12-L182 HydrophobicContact CD2-CG 4.21Å; F12-L182 HydrophobicContact CG-CD1 4.19Å; F12-L182 HydrophobicContact CG-CG 4.43Å; L14-L182 HydrophobicContact CD1-CB 4.24Å; L14-L182 HydrophobicContact CD1-CD1 4.47Å; R153-L182 HydrophobicContact CB-CD1 4.21Å; R153-L182 HydrophobicContact CG-CD1 4.01Å; L182-D184 HydrophobicContact CD2-CB 3.9Å; L182-H189 PolarHBondContact N-O 2.89Å; L182-H189 PolarHBondContact O-N 3.27Å; L182-L191 HydrophobicContact CB-CD1 4.08Å; L182-L191 HydrophobicContact CB-CG 4.29Å
183I97.7Very high93.6Very high0 Ų051 Ų510%026%0.257CS..EExtended strand (participates in β ladder)trans-113.6123.5177.6-53.2129.9000108.1F12 V13 V15 L43 A105 F107 G187 I188F12-I183 CarbonylContact C-O 3.54Å; F12-I183 WeakPolarHBondContact CA-O 3.14Å; F12-I183 WeakPolarHBondContact CB-O 3.42Å; V13-I183 HydrophobicContact CB-CD1 4.29Å; V13-I183 PolarHBondContact N-O 3.33Å; V13-I183 PolarHBondContact O-N 3.29Å; V15-I183 HydrophobicContact CG1-CD1 4.49Å; V15-I183 HydrophobicContact CG2-CD1 4.25Å; L43-I183 HydrophobicContact CB-CD1 4.11Å; L43-I183 HydrophobicContact CB-CG1 4.5Å; A105-I183 HydrophobicContact CB-CD1 3.47Å; A105-I183 VanDerWaalsContact CB-CD1 3.47Å; F107-I183 HydrophobicContact CB-CG2 3.96Å; I183-G187 WeakPolarHBondContact CA-O 3.47Å; I183-I188 HydrophobicContact CG1-CG1 4.06Å; I183-I188 HydrophobicContact CG2-CG1 4.38Å
184D95.8Very high93.6Very high2 Ų248.7 Ų48.71%0.01125%0.245CC..  trans-138.7-165.2178.467.913.1000111.8F12 R153 L182 E186 G187 H189F12-D184 HydrophobicContact CB-CB 4.31Å; R153-D184 IonicContact CZ-OD2 2.74Å; R153-D184 VanDerWaalsContact CZ-OD2 3.27Å; R153-D184 IonicContact NH1-OD2 2.83Å; R153-D184 PolarHBondContact NH1-OD2 3.5Å; R153-D184 IonicContact NH2-OD2 2.69Å; R153-D184 PolarHBondContact NH2-OD2 3.35Å; R153-D184 VanDerWaalsContact NH2-OD2 3.09Å; L182-D184 HydrophobicContact CD2-CB 3.9Å; D184-E186 PolarHBondContact O-N 3.41Å; D184-E186 WeakPolarHBondContact OD1-CA 3.44Å; D184-E186 WeakPolarHBondContact OD1-CB 3.5Å; D184-E186 PolarHBondContact OD1-N 3.11Å; D184-G187 PolarHBondContact N-O 2.86Å; D184-G187 PolarHBondContact O-N 3.24Å; D184-G187 PolarHBondContact OD1-N 3.46Å; D184-H189 VanDerWaalsContact CG-NE2 3.34Å; D184-H189 IonicContact OD1-CD2 2.69Å; D184-H189 PolarHBondContact OD1-CD2 3.2Å; D184-H189 IonicContact OD1-NE2 3.41Å; D184-H189 PolarHBondContact OD1-NE2 2.98Å; D184-H189 IonicContact OD2-CD2 3.48Å; D184-H189 IonicContact OD2-NE2 3.31Å; D184-H189 PolarHBondContact OD2-NE2 2.92Å
185T94.3Very high93.6Very high71 Ų7148 Ų4844%0.43624%0.24SC..SBendtrans-57.7-30.4177.446.50000114K41 F107K41-T185 WeakPolarHBondContact CE-O 3.27Å; K41-T185 PolarHBondContact NZ-O 3.07Å; F107-T185 HydrophobicContact CD1-CG2 4.21Å; F107-T185 HydrophobicContact CE1-CG2 3.35Å; F107-T185 HydrophobicContact CE2-CG2 4.16Å; F107-T185 HydrophobicContact CZ-CG2 3.32Å
186E93.8Very high93Very high159 Ų15947.7 Ų47.774%0.74324%0.239SC*.SBendtrans-87.5-20.8-175.6-59.9-174.7172.700112.2D184 H189D184-E186 PolarHBondContact O-N 3.41Å; D184-E186 WeakPolarHBondContact OD1-CA 3.44Å; D184-E186 WeakPolarHBondContact OD1-CB 3.5Å; D184-E186 PolarHBondContact OD1-N 3.11Å; E186-H189 IonicContact OE2-CE1 2.7Å
187G94.3Very high91.8Very high7 Ų753.6 Ų53.67%0.07227%0.274CS..  trans138.3-142.4174.900000112.6I183 D184I183-G187 WeakPolarHBondContact CA-O 3.47Å; D184-G187 PolarHBondContact N-O 2.86Å; D184-G187 PolarHBondContact O-N 3.24Å; D184-G187 PolarHBondContact OD1-N 3.46Å
188I97.2Very high90.1Very high39 Ų3957.1 Ų57.120%0.231%0.312CS..EExtended strand (participates in β ladder)trans-106.6123-179.3-59.7162.3000108.3K37 D40 L43 R181 I183K37-I188 HydrophobicContact CD-CD1 4.07Å; K37-I188 HydrophobicContact CG-CD1 3.77Å; D40-I188 WeakPolarHBondContact O-CG1 3.38Å; L43-I188 HydrophobicContact CB-CD1 4.24Å; L43-I188 HydrophobicContact CD1-CD1 4.3Å; L43-I188 HydrophobicContact CD1-CG2 3.85Å; R181-I188 HydrophobicContact CB-CG2 4.39Å; I183-I188 HydrophobicContact CG1-CG1 4.06Å; I183-I188 HydrophobicContact CG2-CG1 4.38Å
189H96.4Very high88.1Confident62 Ų6258.4 Ų58.429%0.28732%0.323SS..EExtended strand (participates in β ladder)trans-113.2127179.7-52.8-80000110.3R181 L182 D184 E186R181-H189 WeakPolarHBondContact CA-O 3.35Å; L182-H189 PolarHBondContact N-O 2.89Å; L182-H189 PolarHBondContact O-N 3.27Å; D184-H189 VanDerWaalsContact CG-NE2 3.34Å; D184-H189 IonicContact OD1-CD2 2.69Å; D184-H189 PolarHBondContact OD1-CD2 3.2Å; D184-H189 IonicContact OD1-NE2 3.41Å; D184-H189 PolarHBondContact OD1-NE2 2.98Å; D184-H189 IonicContact OD2-CD2 3.48Å; D184-H189 IonicContact OD2-NE2 3.31Å; D184-H189 PolarHBondContact OD2-NE2 2.92Å; E186-H189 IonicContact OE2-CE1 2.7Å
190D95.6Very high85.7Confident112 Ų11267.1 Ų67.160%0.59936%0.359SS*.EExtended strand (participates in β ladder)trans-77.2121.4170-72.7-58.1000109.4R181R181-D190 WeakPolarHBondContact CG-OD1 3.42Å; R181-D190 IonicContact CZ-OD1 3.67Å; R181-D190 IonicContact NE-OD1 3.53Å; R181-D190 PolarHBondContact NE-OD1 2.73Å; R181-D190 IonicContact NH2-OD1 3.97Å; R181-D190 PolarHBondContact NH2-OD1 3.43Å
191L93.8Very high83.4Confident67 Ų6772 Ų7235%0.35139%0.385SS..PPolyproline II helixtrans-94167.1173.3-60.4-174.3000110.6L14 V157 V180 L182 K193L14-L191 HydrophobicContact CD1-CD1 3.78Å; V157-L191 HydrophobicContact CG2-CD1 4.16Å; V180-L191 HydrophobicContact CB-CB 4.23Å; V180-L191 HydrophobicContact CG1-CB 4.31Å; V180-L191 HydrophobicContact CG1-CD1 4.04Å; V180-L191 PolarHBondContact O-N 2.85Å; L182-L191 HydrophobicContact CB-CD1 4.08Å; L182-L191 HydrophobicContact CB-CG 4.29Å; L191-K193 PolarHBondContact O-N 3.48Å
192E90.4Very high81Confident174 Ų17476.6 Ų76.681%0.81341%0.411SS*.PPolyproline II helixtrans-57.3135.6174.6-169.8177.1-178.300110.6L194E192-L194 PolarHBondContact O-N 3.17Å
193K88.1Confident78.3Confident101 Ų10180.2 Ų80.244%0.43944%0.442SS..PPolyproline II helixtrans-59.4128.2178.5-72.7-174178.1-178.10109.6F178 L191 M195F178-K193 WeakPolarHBondContact O-CA 3.5Å; L191-K193 PolarHBondContact O-N 3.48Å; K193-M195 PolarHBondContact O-N 3.41Å
194L87.9Confident75.7Confident31 Ų3185.6 Ų85.616%0.16248%0.477CS..BIsolated β-bridgetrans-84.3121.2179.6-177.261.2000109.6L160 K161 V164 S177 F178 V180 E192L160-L194 HydrophobicContact CD2-CD2 4.36Å; L160-L194 HydrophobicContact CG-CD2 4.1Å; K161-L194 HydrophobicContact CG-CD1 3.77Å; K161-L194 HydrophobicContact CG-CD2 4.16Å; V164-L194 HydrophobicContact CB-CD2 3.91Å; V164-L194 HydrophobicContact CG1-CD2 4.22Å; V164-L194 HydrophobicContact CG1-CG 4.37Å; V164-L194 HydrophobicContact CG2-CD2 3.62Å; S177-L194 CarbonylContact C-O 3.48Å; S177-L194 WeakPolarHBondContact CA-O 3.25Å; F178-L194 HydrophobicContact CB-CB 4.4Å; F178-L194 PolarHBondContact N-O 3.02Å; F178-L194 PolarHBondContact O-N 3.47Å; V180-L194 HydrophobicContact CG2-CB 3.9Å; E192-L194 PolarHBondContact O-N 3.17Å
195M85Confident73.2Confident87 Ų8789.7 Ų89.743%0.42951%0.511SS..  trans-111132.8175.1-64.7-176.8-67.400109.3K193 L201K193-M195 PolarHBondContact O-N 3.41Å; M195-L201 HydrophobicContact SD-CD1 3.73Å
196P77.4Confident70.5Confident7 Ų792.3 Ų92.35%0.04553%0.529CS..  trans-60.7147.4170.5-17.229.4000111.3V164 N168 L175 P176 F178 G198 A199V164-P196 HydrophobicContact CG1-CB 4.41Å; V164-P196 HydrophobicContact CG1-CG 3.9Å; N168-P196 HydrophobicContact CB-CB 3.69Å; N168-P196 HydrophobicContact CB-CG 4.2Å; N168-P196 WeakPolarHBondContact ND2-CB 3.16Å; L175-P196 WeakPolarHBondContact O-CG 3.25Å; P176-P196 WeakPolarHBondContact O-CD 3.38Å; F178-P196 HydrophobicContact CE2-CG 4.42Å; P196-G198 PolarHBondContact O-N 3.15Å; P196-G198 VanDerWaalsContact O-N 3.07Å; P196-A199 WeakPolarHBondContact O-CB 3.4Å; P196-A199 PolarHBondContact O-N 3.37Å
197V62.7Low68.2Low138 Ų13890.6 Ų90.684%0.83654%0.535SS*.THydrogen-bonded Turntrans-57.3115.9178.7-178.10000109.7
198G55.9Low65.7Low80 Ų8099.2 Ų99.283%0.82559%0.594SS**THydrogen-bonded Turntrans102.6-7.3-179.700000115.8P196 K200P196-G198 PolarHBondContact O-N 3.15Å; P196-G198 VanDerWaalsContact O-N 3.07Å; G198-K200 PolarHBondContact O-N 3.07Å
199A54.5Low64.1Low29 Ų29102.2 Ų102.224%0.2461%0.614CS.*  trans-75.4115.6171.800000110.3P196P196-A199 WeakPolarHBondContact O-CB 3.4Å; P196-A199 PolarHBondContact O-N 3.37Å
200K45.5Very low62.4Low195 Ų195104.3 Ų104.385%0.84863%0.631SS**PPolyproline II helixtrans-90.1128.9165-76-178178.3179.40108.4G198 L202G198-K200 PolarHBondContact O-N 3.07Å; K200-L202 PolarHBondContact O-N 3.16Å
201L48.8Very low60.5Low109 Ų109103.9 Ų103.957%0.57163%0.633SS**PPolyproline II helixtrans-58121.8164.6-127.285.3000107.6M195 A203M195-L201 HydrophobicContact SD-CD1 3.73Å; L201-A203 PolarHBondContact O-N 2.71Å
202L48.4Very low58.6Low129 Ų129106.1 Ų106.168%0.67565%0.65SS**PPolyproline II helixtrans-62.3123.5159.6-81.7151.3000105.6K200K200-L202 PolarHBondContact O-N 3.16Å
203A40.6Very low56.6Low86 Ų86101.8 Ų101.871%0.71164%0.639SS**PPolyproline II helixtrans-50.4139.6-176.300000110.1L201 A205L201-A203 PolarHBondContact O-N 2.71Å; A203-A205 PolarHBondContact O-N 3.19Å
204P43.4Very low54.5Low112 Ų112101.9 Ų101.973%0.72765%0.653SS**PPolyproline II helixtrans-55.6131.3177.822.6-31.2000108.9
205A43.1Very low52.1Low88 Ų88106.9 Ų106.973%0.72769%0.688SS**PPolyproline II helixtrans-56.1133.9171.500000108.2A203 S207A203-A205 PolarHBondContact O-N 3.19Å; A205-S207 PolarHBondContact O-N 3.39Å
206P36.8Very low49.6Very low126 Ų126108.5 Ų108.582%0.81871%0.708SS**PPolyproline II helixtrans-57.6127.5-179.922.5-31.1000109S208P206-S208 PolarHBondContact O-N 2.92Å; P206-S208 VanDerWaalsContact O-N 3.11Å
207S47Very low47.3Very low124 Ų124116.9 Ų116.987%0.86776%0.763SS**  trans-59.1113.1172.952.80000109A205A205-S207 PolarHBondContact O-N 3.39Å
208S40.5Very low45.9Very low187 Ų187115 Ų115100%1.30876%0.756SS**  trans-74.40166.858.60000111.2P206P206-S208 PolarHBondContact O-N 2.92Å; P206-S208 VanDerWaalsContact O-N 3.11Å

Retrieved 208 of 208 residues in 655.6 ms (Link to these results)