A0A087X7A7_POEFO Loading...

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 A0A087X7A7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 199 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M83.8Confident96.6Very high118 Ų11830.7 Ų30.758%0.58116%0.164SC*.  0131.30-166.665.4-179.500107.4Y134 L173M1-Y134 HydrophobicContact CB-CD2 4.07Å; M1-Y134 HydrophobicContact CB-CE2 4.35Å; M1-Y134 HydrophobicContact CE-CE1 4.49Å; M1-Y134 HydrophobicContact CG-CD2 3.72Å; M1-Y134 HydrophobicContact CG-CE2 4.02Å; M1-Y134 HydrophobicContact CG-CG 4.08Å; M1-Y134 HydrophobicContact SD-CE2 4.45Å; M1-L173 HydrophobicContact CB-CD1 3.86Å
2E96.5Very high96.7Very high38 Ų3828.2 Ų28.218%0.17815%0.151CC..  trans-92.5162.7-173.6-55.6171.4105.100110.4D18 K34 V47 G48 G133E2-D18 WeakPolarHBondContact CA-OD1 3.11Å; E2-K34 HydrophobicContact CB-CD 4.19Å; E2-K34 HydrophobicContact CG-CD 4.39Å; E2-K34 VanDerWaalsContact CG-CE 3.46Å; E2-K34 WeakPolarHBondContact OE1-CE 3.37Å; E2-V47 HydrophobicContact CB-CB 3.9Å; E2-V47 HydrophobicContact CB-CG1 3.41Å; E2-V47 VanDerWaalsContact CB-CG1 3.41Å; E2-V47 HydrophobicContact CG-CG1 4.19Å; E2-V47 VanDerWaalsContact OE2-CA 3.31Å; E2-V47 WeakPolarHBondContact OE2-CA 3.44Å; E2-V47 VanDerWaalsContact OE2-CB 3.29Å; E2-V47 WeakPolarHBondContact OE2-CB 3.17Å; E2-G48 PolarHBondContact OE2-N 3.15Å; E2-G133 WeakPolarHBondContact O-CA 3.16Å
3Y98.2Very high96.8Very high1 Ų126 Ų260%0.00414%0.139CC..  trans-134.8129.5179177.9-101.5000111.4I5 A17 D18 A131 H132 T139 L167 F178Y3-I5 HydrophobicContact CE1-CB 3.82Å; Y3-I5 HydrophobicContact CE1-CG2 3.66Å; Y3-I5 VanDerWaalsContact OH-CD1 3.31Å; Y3-I5 WeakPolarHBondContact OH-CD1 3.47Å; Y3-A17 WeakPolarHBondContact O-CA 3.34Å; Y3-D18 PolarHBondContact N-OD1 3.07Å; Y3-D18 PolarHBondContact O-N 3.32Å; Y3-D18 VanDerWaalsContact O-N 3.14Å; Y3-A131 HydrophobicContact CE2-CB 4.28Å; Y3-H132 WeakPolarHBondContact CA-O 3.4Å; Y3-H132 VanDerWaalsContact CD2-O 3.3Å; Y3-H132 WeakPolarHBondContact CD2-O 3.13Å; Y3-T139 WeakPolarHBondContact OH-CB 3.48Å; Y3-T139 WeakPolarHBondContact OH-CG2 3.18Å; Y3-T139 PolarHBondContact OH-OG1 2.75Å; Y3-L167 HydrophobicContact CD1-CD1 3.87Å; Y3-L167 HydrophobicContact CD2-CD1 4.37Å; Y3-L167 HydrophobicContact CE1-CD1 3.65Å; Y3-L167 HydrophobicContact CE2-CD1 4.21Å; Y3-L167 HydrophobicContact CG-CD1 4.17Å; Y3-F178 HydrophobicContact CD1-CD1 4.26Å; Y3-F178 AromaticContact CD1-CE1 3.63Å; Y3-F178 HydrophobicContact CD1-CE1 3.63Å; Y3-F178 HydrophobicContact CE1-CE1 4.23Å
4L98.6Very high97Very high0 Ų024.3 Ų24.30%013%0.13CC..EExtended strand (participates in β ladder)trans-122.7145.5173-54.4-179.2000109.4A17 K34 L45 V47 L103 A131 H132L4-A17 HydrophobicContact CD2-CB 3.56Å; L4-K34 HydrophobicContact CD2-CB 4.34Å; L4-K34 HydrophobicContact CD2-CD 4.38Å; L4-L45 HydrophobicContact CD1-CB 3.7Å; L4-L45 HydrophobicContact CD2-CB 3.97Å; L4-L45 HydrophobicContact CD2-CD2 4.09Å; L4-L45 HydrophobicContact CG-CB 4.38Å; L4-V47 HydrophobicContact CD1-CB 4.28Å; L4-V47 HydrophobicContact CD1-CG1 3.76Å; L4-V47 HydrophobicContact CD1-CG2 3.67Å; L4-V47 HydrophobicContact CD2-CG1 3.63Å; L4-V47 HydrophobicContact CG-CB 4.42Å; L4-V47 HydrophobicContact CG-CG1 3.53Å; L4-V47 HydrophobicContact CG-CG2 4.01Å; L4-L103 HydrophobicContact CB-CD1 3.91Å; L4-L103 HydrophobicContact CB-CG 4.34Å; L4-L103 HydrophobicContact CD1-CG 4.39Å; L4-A131 CarbonylContact O-C 3.17Å; L4-A131 WeakPolarHBondContact O-CA 3.34Å; L4-A131 WeakPolarHBondContact O-CB 3.45Å; L4-H132 HydrophobicContact CB-CB 4.24Å; L4-H132 HydrophobicContact CD1-CB 4.42Å; L4-H132 HydrophobicContact CG-CB 4.48Å; L4-H132 PolarHBondContact N-O 3.28Å; L4-H132 VanDerWaalsContact N-O 3.17Å; L4-H132 PolarHBondContact O-N 3.44Å
5I98.6Very high97.1Very high2 Ų222.7 Ų22.71%0.0112%0.122CC..EExtended strand (participates in β ladder)trans-143.9139.5172.5-178.7167.3000109.9Y3 I7 V15 A16 A130 A131 L143 L160 C163Y3-I5 HydrophobicContact CE1-CB 3.82Å; Y3-I5 HydrophobicContact CE1-CG2 3.66Å; Y3-I5 VanDerWaalsContact OH-CD1 3.31Å; Y3-I5 WeakPolarHBondContact OH-CD1 3.47Å; I5-I7 HydrophobicContact CG1-CG1 4.46Å; I5-V15 CarbonylContact O-C 3.55Å; I5-V15 WeakPolarHBondContact O-CA 3.46Å; I5-A16 HydrophobicContact CG2-CB 3.74Å; I5-A16 PolarHBondContact N-O 2.99Å; I5-A16 PolarHBondContact O-N 2.77Å; I5-A130 CarbonylContact C-O 3.6Å; I5-A130 WeakPolarHBondContact CA-O 3.46Å; I5-A131 HydrophobicContact CB-CB 4.47Å; I5-L143 HydrophobicContact CD1-CD1 3.84Å; I5-L143 HydrophobicContact CD1-CD2 4.27Å; I5-L143 HydrophobicContact CD1-CG 4.43Å; I5-L143 HydrophobicContact CG1-CD1 4.25Å; I5-L160 HydrophobicContact CD1-CD1 4.02Å; I5-L160 HydrophobicContact CG1-CD1 4.45Å; I5-L160 HydrophobicContact CG2-CD1 3.5Å; I5-C163 HydrophobicContact CD1-CB 4.1Å
6G98.6Very high97.2Very high0 Ų021.3 Ų21.30%011%0.114CC..EExtended strand (participates in β ladder)trans-132.5140.6173.500000110.9L14 L115 F129 A130G6-L14 CarbonylContact C-O 3.52Å; G6-L14 WeakPolarHBondContact CA-O 3.38Å; G6-L115 VanDerWaalsContact C-CD2 3.47Å; G6-L115 WeakPolarHBondContact O-CD2 3.36Å; G6-F129 CarbonylContact O-C 3.52Å; G6-F129 WeakPolarHBondContact O-CA 3.36Å; G6-F129 WeakPolarHBondContact O-CB 3.43Å; G6-A130 PolarHBondContact N-O 3.47Å; G6-A130 PolarHBondContact O-N 3.17Å
7I98.6Very high97.2Very high1 Ų120.1 Ų20.11%0.00511%0.108CC..EExtended strand (participates in β ladder)trans-133.2116177.8-52.9175.6000107.5I5 L14 L143 Y147 A156 L159 L160I5-I7 HydrophobicContact CG1-CG1 4.46Å; I7-L14 PolarHBondContact N-O 2.95Å; I7-L14 PolarHBondContact O-N 2.83Å; I7-L143 HydrophobicContact CD1-CD2 3.7Å; I7-L143 HydrophobicContact CG1-CD2 3.96Å; I7-Y147 HydrophobicContact CG2-CD2 4.04Å; I7-Y147 HydrophobicContact CG2-CE2 4Å; I7-A156 HydrophobicContact CG2-CB 4.45Å; I7-L159 HydrophobicContact CD1-CD2 4.4Å; I7-L159 HydrophobicContact CD1-CG 4.32Å; I7-L160 HydrophobicContact CD1-CB 4.23Å
8Q98.4Very high97.2Very high33 Ų3319.1 Ų19.115%0.15410%0.102CC..EExtended strand (participates in β ladder)trans-88.8121.7175174.3175.4-20.700109.8V13 P113 L115 P128 Y147Q8-V13 HydrophobicContact CG-CG2 4.48Å; Q8-P113 HydrophobicContact CG-CB 4.14Å; Q8-P113 HydrophobicContact CG-CG 4.23Å; Q8-P113 PolarHBondContact NE2-O 3.33Å; Q8-L115 HydrophobicContact CB-CB 4.23Å; Q8-P128 WeakPolarHBondContact CA-O 3.5Å; Q8-P128 VanDerWaalsContact CB-O 3.25Å; Q8-P128 WeakPolarHBondContact CB-O 3.43Å; Q8-P128 PolarHBondContact N-O 3.3Å; Q8-Y147 VanDerWaalsContact O-CE2 3.27Å; Q8-Y147 WeakPolarHBondContact O-CE2 3.22Å; Q8-Y147 PolarHBondContact O-OH 3.37Å
9G97.4Very high97.1Very high3 Ų318.1 Ų18.13%0.03110%0.097CC..  trans-94-169.3167.500000112.2Y12 P113G9-Y12 PolarHBondContact N-O 2.76Å; G9-P113 WeakPolarHBondContact O-CG 3.1Å
10P96.9Very high97.1Very high75 Ų7517.7 Ų17.749%0.48710%0.095SC..SBendtrans-68.6-40.7-178.925.1-32.8000113.4P113 L151P10-P113 WeakPolarHBondContact O-CD 3.44Å; P10-P113 WeakPolarHBondContact O-CG 3.48Å; P10-L151 WeakPolarHBondContact CD-O 3.26Å
11D96.9Very high97Very high67 Ų6718.3 Ų18.336%0.35810%0.103SC..SBendtrans-124.98.1-176.169.1-51.4000113.6H107 R153D11-H107 PolarHBondContact O-CD2 3.45Å; D11-H107 PolarHBondContact O-NE2 2.89Å; D11-R153 IonicContact OD2-CZ 3.69Å; D11-R153 IonicContact OD2-NE 3.94Å; D11-R153 IonicContact OD2-NH2 3.54Å; D11-R153 PolarHBondContact OD2-NH2 3.31Å
12Y97.9Very high97.6Very high0 Ų015.6 Ų15.60%010%0.099CC..  trans-149.8164.1-176.568.4-85.5000112.6G9 L14 L151 S152 R153 A156 L182 I183G9-Y12 PolarHBondContact N-O 2.76Å; Y12-L14 HydrophobicContact CD2-CB 4.29Å; Y12-L14 HydrophobicContact CE2-CB 4.13Å; Y12-L151 PolarHBondContact OH-O 2.86Å; Y12-L151 VanDerWaalsContact OH-O 3.07Å; Y12-S152 PolarHBondContact OH-O 3.42Å; Y12-R153 HydrophobicContact CD1-CG 3.49Å; Y12-R153 VanDerWaalsContact CD1-CG 3.49Å; Y12-R153 HydrophobicContact CD2-CG 4.4Å; Y12-R153 HydrophobicContact CE1-CB 4.26Å; Y12-R153 HydrophobicContact CE1-CG 3.47Å; Y12-R153 VanDerWaalsContact CE1-CG 3.47Å; Y12-R153 HydrophobicContact CE2-CG 4.39Å; Y12-R153 HydrophobicContact CG-CG 3.99Å; Y12-R153 WeakPolarHBondContact OH-CA 3.34Å; Y12-R153 PolarHBondContact OH-N 3.28Å; Y12-A156 HydrophobicContact CE2-CB 3.94Å; Y12-A156 WeakPolarHBondContact OH-CB 3.37Å; Y12-L182 HydrophobicContact CD2-CD1 3.69Å; Y12-L182 HydrophobicContact CD2-CG 4.18Å; Y12-L182 HydrophobicContact CE2-CD1 4.31Å; Y12-L182 HydrophobicContact CG-CD1 4.07Å; Y12-L182 HydrophobicContact CG-CG 4.43Å; Y12-I183 CarbonylContact C-O 3.49Å; Y12-I183 WeakPolarHBondContact CA-O 3.35Å; Y12-I183 WeakPolarHBondContact CB-O 3.36Å
13V98.4Very high97.5Very high0 Ų016.9 Ų16.90%011%0.112CC..EExtended strand (participates in β ladder)trans-123.6122.8165.8-169.50000108.8Q8 V15 A105 P113 L115 I183Q8-V13 HydrophobicContact CG-CG2 4.48Å; V13-V15 HydrophobicContact CG1-CG1 4.09Å; V13-A105 HydrophobicContact CB-CB 4.26Å; V13-A105 HydrophobicContact CG1-CB 3.68Å; V13-P113 HydrophobicContact CG2-CB 3.52Å; V13-L115 HydrophobicContact CG1-CB 4.13Å; V13-L115 HydrophobicContact CG1-CD1 4.19Å; V13-I183 PolarHBondContact N-O 3Å; V13-I183 PolarHBondContact O-N 3.18Å
14L98.5Very high97.4Very high2 Ų222.3 Ų22.31%0.0115%0.151CC..EExtended strand (participates in β ladder)trans-96.4127.9173.2-176.770.7000108.6G6 I7 Y12 A156 V157 L160 V180 L182G6-L14 CarbonylContact C-O 3.52Å; G6-L14 WeakPolarHBondContact CA-O 3.38Å; I7-L14 PolarHBondContact N-O 2.95Å; I7-L14 PolarHBondContact O-N 2.83Å; Y12-L14 HydrophobicContact CD2-CB 4.29Å; Y12-L14 HydrophobicContact CE2-CB 4.13Å; L14-A156 HydrophobicContact CD2-CB 4.07Å; L14-V157 HydrophobicContact CD1-CG2 4.3Å; L14-V157 HydrophobicContact CD2-CG2 4Å; L14-L160 HydrophobicContact CD2-CB 4.19Å; L14-L160 HydrophobicContact CD2-CD2 3.95Å; L14-L160 HydrophobicContact CG-CD2 4.36Å; L14-V180 HydrophobicContact CD1-CG1 3.58Å; L14-V180 HydrophobicContact CG-CG1 4.37Å; L14-L182 HydrophobicContact CD1-CB 4.28Å; L14-L182 HydrophobicContact CD1-CD1 4.4Å
15V98.6Very high97.1Very high1 Ų130.1 Ų30.11%0.00619%0.191CC..EExtended strand (participates in β ladder)trans-128.6145.9177-64.90000110.8I5 V13 M35 L43 L45 A105 V180 R181I5-V15 CarbonylContact O-C 3.55Å; I5-V15 WeakPolarHBondContact O-CA 3.46Å; V13-V15 HydrophobicContact CG1-CG1 4.09Å; V15-M35 HydrophobicContact CG2-CE 4.26Å; V15-M35 HydrophobicContact CG2-SD 4.03Å; V15-L43 HydrophobicContact CG2-CD1 4Å; V15-L45 HydrophobicContact CB-CD1 4.03Å; V15-L45 HydrophobicContact CB-CD2 3.95Å; V15-L45 HydrophobicContact CG1-CD1 3.98Å; V15-L45 HydrophobicContact CG2-CD1 4.12Å; V15-L45 HydrophobicContact CG2-CD2 4.3Å; V15-A105 HydrophobicContact CG1-CB 3.51Å; V15-V180 WeakPolarHBondContact O-CA 3.49Å; V15-R181 HydrophobicContact CG2-CB 4.04Å; V15-R181 PolarHBondContact N-O 3.41Å; V15-R181 PolarHBondContact O-N 3.35Å
16A98.4Very high96.9Very high0 Ų034.9 Ų34.90%022%0.215CC..EExtended strand (participates in β ladder)trans-140.9150.1173.200000112.3I5 L160 N179 V180I5-A16 HydrophobicContact CG2-CB 3.74Å; I5-A16 PolarHBondContact N-O 2.99Å; I5-A16 PolarHBondContact O-N 2.77Å; A16-L160 HydrophobicContact CB-CD1 3.97Å; A16-L160 HydrophobicContact CB-CD2 3.78Å; A16-L160 HydrophobicContact CB-CG 4.49Å; A16-N179 WeakPolarHBondContact CA-O 3.26Å; A16-N179 WeakPolarHBondContact CB-O 3.45Å; A16-V180 HydrophobicContact CB-CG2 4Å
17A98.3Very high96.8Very high1 Ų137.7 Ų37.71%0.00823%0.228CC..EExtended strand (participates in β ladder)trans-140.6145.3177.200000110Y3 L4 K34 M35 L45 F178 N179Y3-A17 WeakPolarHBondContact O-CA 3.34Å; L4-A17 HydrophobicContact CD2-CB 3.56Å; A17-K34 HydrophobicContact CB-CB 4.02Å; A17-K34 HydrophobicContact CB-CD 4.37Å; A17-K34 HydrophobicContact CB-CG 4.48Å; A17-M35 HydrophobicContact CB-CE 3.81Å; A17-M35 HydrophobicContact CB-CG 4.4Å; A17-L45 HydrophobicContact CB-CD2 4.31Å; A17-F178 CarbonylContact O-C 3.59Å; A17-F178 VanDerWaalsContact O-CA 3.22Å; A17-F178 WeakPolarHBondContact O-CA 3.42Å; A17-N179 PolarHBondContact N-O 3.35Å; A17-N179 PolarHBondContact O-N 3.03Å
18D97.1Very high96.7Very high1 Ų144.1 Ų44.11%0.00526%0.26CS..EExtended strand (participates in β ladder)trans-65.9154.317480.9-78.1000111.1E2 Y3 V20 K34 L175 F178E2-D18 WeakPolarHBondContact CA-OD1 3.11Å; Y3-D18 PolarHBondContact N-OD1 3.07Å; Y3-D18 PolarHBondContact O-N 3.32Å; Y3-D18 VanDerWaalsContact O-N 3.14Å; D18-V20 WeakPolarHBondContact OD2-CB 3.41Å; D18-V20 PolarHBondContact OD2-N 3.06Å; D18-K34 PolarHBondContact O-NZ 3.15Å; D18-K34 WeakPolarHBondContact OD1-CE 3.27Å; D18-K34 IonicContact OD1-NZ 2.73Å; D18-K34 PolarHBondContact OD1-NZ 3.35Å; D18-K34 IonicContact OD2-NZ 3.13Å; D18-K34 PolarHBondContact OD2-NZ 3.2Å; D18-L175 HydrophobicContact CB-CD1 4.25Å; D18-L175 HydrophobicContact CB-CD2 4.05Å; D18-F178 HydrophobicContact CB-CD1 3.97Å; D18-F178 HydrophobicContact CB-CE1 3.69Å; D18-F178 HydrophobicContact CB-CZ 4.4Å
19N95.5Very high96.5Very high0 Ų046.3 Ų46.30%027%0.269CS..  trans-96.68.3-178.2-66.2118.9000115.8H30 D31 Y32 S177 F178 N179N19-H30 WeakPolarHBondContact CB-O 3.18Å; N19-H30 CarbonylContact O-C 3.51Å; N19-D31 PolarHBondContact O-N 2.92Å; N19-Y32 WeakPolarHBondContact CA-O 3.38Å; N19-Y32 PolarHBondContact ND2-O 3.16Å; N19-Y32 WeakPolarHBondContact O-CB 2.97Å; N19-Y32 PolarHBondContact O-N 2.86Å; N19-S177 WeakPolarHBondContact CB-OG 3.44Å; N19-S177 PolarHBondContact N-O 3.3Å; N19-S177 VanDerWaalsContact N-O 3.09Å; N19-S177 PolarHBondContact OD1-O 3.02Å; N19-S177 PolarHBondContact OD1-OG 2.96Å; N19-F178 WeakPolarHBondContact OD1-CA 3.4Å; N19-F178 PolarHBondContact OD1-N 3.45Å; N19-N179 PolarHBondContact ND2-ND2 2.84Å; N19-N179 PolarHBondContact ND2-OD1 3.4Å; N19-N179 PolarHBondContact OD1-N 3.4Å
20V95.7Very high96.3Very high11 Ų1151.1 Ų51.17%0.06729%0.29CS..  trans-90.1131.3-171.5-178.50000109.9D18 A22 Q27 K34 L175 P176D18-V20 WeakPolarHBondContact OD2-CB 3.41Å; D18-V20 PolarHBondContact OD2-N 3.06Å; V20-A22 HydrophobicContact CG1-CB 4.13Å; V20-Q27 HydrophobicContact CG1-CB 4.16Å; V20-Q27 HydrophobicContact CG1-CG 3.71Å; V20-K34 PolarHBondContact O-NZ 2.87Å; V20-L175 HydrophobicContact CB-CD2 4.37Å; V20-L175 HydrophobicContact CG2-CD2 4.1Å; V20-P176 HydrophobicContact CG2-CG 4.44Å
21A96.4Very high96.2Very high30 Ų3051.9 Ų51.925%0.24829%0.29CS..EExtended strand (participates in β ladder)trans-112.5112158.200000108.1M28 K29 Y32A21-M28 PolarHBondContact O-N 2.72Å; A21-K29 HydrophobicContact CB-CB 4Å; A21-K29 PolarHBondContact N-O 3.16Å; A21-K29 PolarHBondContact O-N 3.24Å; A21-Y32 HydrophobicContact CB-CD1 4.31Å; A21-Y32 HydrophobicContact CB-CD2 4.45Å; A21-Y32 HydrophobicContact CB-CG 4.03Å
22A95.2Very high96.2Very high62 Ų6251.5 Ų51.551%0.51228%0.284SS..EExtended strand (participates in β ladder)trans-110.2146.1-176.800000110.9V20 I26V20-A22 HydrophobicContact CG1-CB 4.13Å; A22-I26 WeakPolarHBondContact CA-O 3.46Å
23S95.5Very high96.1Very high65 Ų6554 Ų5446%0.45530%0.298SS..EExtended strand (participates in β ladder)trans-135.7127.6170.9-177.30000108.4I25 I26 M28S23-I25 PolarHBondContact O-N 3.14Å; S23-I26 PolarHBondContact N-O 3.02Å; S23-I26 WeakPolarHBondContact O-CG1 3.37Å; S23-I26 PolarHBondContact O-N 3.13Å; S23-I26 VanDerWaalsContact O-O 3.11Å; S23-M28 WeakPolarHBondContact CB-SD 3.3Å
24S94.9Very high96.1Very high115 Ų11554.1 Ų54.180%0.80430%0.298SS*.THydrogen-bonded Turntrans53.4-133-169.7-172.10000110.7
25I93.9Very high96.1Very high164 Ų16454.5 Ų54.584%0.84130%0.3SS*.THydrogen-bonded Turntrans-85.2-4.3-179.366.6177.9000114S23S23-I25 PolarHBondContact O-N 3.14Å
26I94.5Very high96.1Very high102 Ų10255.9 Ų55.952%0.52331%0.306SS..EExtended strand (participates in β ladder)trans-108.3144.4-173.859.9170.5000111.9A22 S23 M28A22-I26 WeakPolarHBondContact CA-O 3.46Å; S23-I26 PolarHBondContact N-O 3.02Å; S23-I26 WeakPolarHBondContact O-CG1 3.37Å; S23-I26 PolarHBondContact O-N 3.13Å; S23-I26 VanDerWaalsContact O-O 3.11Å; I26-M28 HydrophobicContact CD1-CG 4.36Å; I26-M28 HydrophobicContact CG1-CG 4.4Å
27Q94.8Very high96Very high58 Ų5859.8 Ų59.827%0.27132%0.323SS..EExtended strand (participates in β ladder)trans-86.8117.4167.6-60.8-175.3-600107.8V20 H30 N174V20-Q27 HydrophobicContact CG1-CB 4.16Å; V20-Q27 HydrophobicContact CG1-CG 3.71Å; Q27-H30 PolarHBondContact OE1-CE1 3.24Å; Q27-H30 PolarHBondContact OE1-ND1 2.79Å; Q27-H30 VanDerWaalsContact OE1-ND1 3.11Å; Q27-N174 PolarHBondContact NE2-O 3Å
28M96.4Very high96Very high136 Ų13659.8 Ų59.867%0.6732%0.323SS*.EExtended strand (participates in β ladder)trans-88.1-28.7-178.5-63.3-17174.700112.2A21 S23 I26A21-M28 PolarHBondContact O-N 2.72Å; S23-M28 WeakPolarHBondContact CB-SD 3.3Å; I26-M28 HydrophobicContact CD1-CG 4.36Å; I26-M28 HydrophobicContact CG1-CG 4.4Å
29K95.6Very high95.9Very high79 Ų7959.9 Ų59.934%0.34332%0.323SS..EExtended strand (participates in β ladder)trans-142.6140179.8-166.3172.8173.962.40110.1A21 D31 Y32A21-K29 HydrophobicContact CB-CB 4Å; A21-K29 PolarHBondContact N-O 3.16Å; A21-K29 PolarHBondContact O-N 3.24Å; K29-D31 WeakPolarHBondContact CE-OD1 3.07Å; K29-D31 WeakPolarHBondContact CG-OD1 3.16Å; K29-D31 IonicContact NZ-OD1 2.72Å; K29-D31 PolarHBondContact NZ-OD1 2.92Å; K29-D31 IonicContact NZ-OD2 2.94Å; K29-D31 PolarHBondContact NZ-OD2 3.14Å; K29-Y32 HydrophobicContact CD-CD2 4.32Å
30H93.1Very high95.9Very high104 Ų10464.2 Ų64.248%0.48134%0.344SS..SBendtrans-113.4-0.5-179.6-55.7-75.3000113.4N19 Q27N19-H30 WeakPolarHBondContact CB-O 3.18Å; N19-H30 CarbonylContact O-C 3.51Å; Q27-H30 PolarHBondContact OE1-CE1 3.24Å; Q27-H30 PolarHBondContact OE1-ND1 2.79Å; Q27-H30 VanDerWaalsContact OE1-ND1 3.11Å
31D94.7Very high95.9Very high92 Ų9265.5 Ų65.549%0.49235%0.348SS..SBendtrans-126.528.7-177.864.4-41.8000111.1N19 K29N19-D31 PolarHBondContact O-N 2.92Å; K29-D31 WeakPolarHBondContact CE-OD1 3.07Å; K29-D31 WeakPolarHBondContact CG-OD1 3.16Å; K29-D31 IonicContact NZ-OD1 2.72Å; K29-D31 PolarHBondContact NZ-OD1 2.92Å; K29-D31 IonicContact NZ-OD2 2.94Å; K29-D31 PolarHBondContact NZ-OD2 3.14Å
32Y96Very high96Very high59 Ų5964.1 Ų64.123%0.23134%0.337CS..  trans-71.3138.9176.7-171.4-116.6000110.4N19 A21 K29 K34N19-Y32 WeakPolarHBondContact CA-O 3.38Å; N19-Y32 PolarHBondContact ND2-O 3.16Å; N19-Y32 WeakPolarHBondContact O-CB 2.97Å; N19-Y32 PolarHBondContact O-N 2.86Å; A21-Y32 HydrophobicContact CB-CD1 4.31Å; A21-Y32 HydrophobicContact CB-CD2 4.45Å; A21-Y32 HydrophobicContact CB-CG 4.03Å; K29-Y32 HydrophobicContact CD-CD2 4.32Å; Y32-K34 HydrophobicContact CD1-CD 4.47Å; Y32-K34 HydrophobicContact CD1-CG 3.71Å; Y32-K34 HydrophobicContact CE1-CG 3.76Å
33D96.9Very high96.2Very high53 Ų5361.2 Ų61.228%0.28331%0.313SS..  trans-112.5127.3175.8-167.49.1000109.9M35 N179 R181D33-M35 PolarHBondContact OD1-N 2.88Å; D33-N179 VanDerWaalsContact CG-ND2 3.28Å; D33-N179 PolarHBondContact OD1-ND2 2.8Å; D33-R181 IonicContact OD2-CZ 3.23Å; D33-R181 IonicContact OD2-NH1 3.84Å; D33-R181 PolarHBondContact OD2-NH1 3.19Å; D33-R181 IonicContact OD2-NH2 3.85Å; D33-R181 PolarHBondContact OD2-NH2 3.45Å
34K97.6Very high96.3Very high1 Ų158.1 Ų58.10%0.00429%0.291CS..  trans-101.94.6-174.6-58.4-17416790.30112.8E2 L4 A17 D18 V20 Y32 L45 C46 V47E2-K34 HydrophobicContact CB-CD 4.19Å; E2-K34 HydrophobicContact CG-CD 4.39Å; E2-K34 VanDerWaalsContact CG-CE 3.46Å; E2-K34 WeakPolarHBondContact OE1-CE 3.37Å; L4-K34 HydrophobicContact CD2-CB 4.34Å; L4-K34 HydrophobicContact CD2-CD 4.38Å; A17-K34 HydrophobicContact CB-CB 4.02Å; A17-K34 HydrophobicContact CB-CD 4.37Å; A17-K34 HydrophobicContact CB-CG 4.48Å; D18-K34 PolarHBondContact O-NZ 3.15Å; D18-K34 WeakPolarHBondContact OD1-CE 3.27Å; D18-K34 IonicContact OD1-NZ 2.73Å; D18-K34 PolarHBondContact OD1-NZ 3.35Å; D18-K34 IonicContact OD2-NZ 3.13Å; D18-K34 PolarHBondContact OD2-NZ 3.2Å; V20-K34 PolarHBondContact O-NZ 2.87Å; Y32-K34 HydrophobicContact CD1-CD 4.47Å; Y32-K34 HydrophobicContact CD1-CG 3.71Å; Y32-K34 HydrophobicContact CE1-CG 3.76Å; K34-L45 WeakPolarHBondContact O-CA 3.45Å; K34-C46 PolarHBondContact O-N 2.73Å; K34-V47 HydrophobicContact CD-CG1 3.89Å
35M98.3Very high96.5Very high11 Ų1152.7 Ų52.75%0.05425%0.253CS..EExtended strand (participates in β ladder)trans-110.4121.2-170.6-55.2-166.4-169.400110.6V15 A17 D33 L44 L45 N179 R181V15-M35 HydrophobicContact CG2-CE 4.26Å; V15-M35 HydrophobicContact CG2-SD 4.03Å; A17-M35 HydrophobicContact CB-CE 3.81Å; A17-M35 HydrophobicContact CB-CG 4.4Å; D33-M35 PolarHBondContact OD1-N 2.88Å; M35-L44 CarbonylContact C-O 3.59Å; M35-L45 HydrophobicContact CB-CG 4.46Å; M35-L45 HydrophobicContact CE-CD2 3.88Å; M35-L45 HydrophobicContact CG-CD2 3.83Å; M35-L45 HydrophobicContact CG-CG 3.85Å; M35-L45 HydrophobicContact SD-CD2 4.11Å; M35-L45 HydrophobicContact SD-CG 4.45Å; M35-N179 HydrophobicContact CE-CB 4.13Å; M35-N179 VanDerWaalsContact CE-O 3.26Å; M35-N179 WeakPolarHBondContact CE-O 3.47Å; M35-R181 PolarHBondContact O-NH1 3.33Å; M35-R181 HydrophobicContact SD-CB 4.16Å; M35-R181 HydrophobicContact SD-CG 3.89Å
36F98.4Very high96.7Very high29 Ų2945 Ų4513%0.12721%0.214CC..EExtended strand (participates in β ladder)trans-107121.7-179-61-98000109.9L38 L44 C46 A57 E58F36-L38 PolarHBondContact O-N 3.4Å; F36-L44 HydrophobicContact CB-CB 4.46Å; F36-L44 PolarHBondContact N-O 2.81Å; F36-L44 PolarHBondContact O-N 3.16Å; F36-C46 HydrophobicContact CD2-CB 4.23Å; F36-C46 HydrophobicContact CE2-CB 3.97Å; F36-A57 HydrophobicContact CD1-CB 3.92Å; F36-A57 HydrophobicContact CD2-CB 3.58Å; F36-A57 HydrophobicContact CE1-CB 3.93Å; F36-A57 HydrophobicContact CE2-CB 3.61Å; F36-A57 HydrophobicContact CG-CB 3.75Å; F36-A57 HydrophobicContact CZ-CB 3.78Å; F36-E58 HydrophobicContact CE1-CG 4.36Å
37K98.1Very high96.9Very high83 Ų8340.5 Ų40.536%0.36119%0.191SC..EExtended strand (participates in β ladder)trans-71.5107.9173.1-175.3176.8-179.5-179.10109.7S39 E40 L43 Q61 I188K37-S39 VanDerWaalsContact CE-O 3.26Å; K37-S39 WeakPolarHBondContact CE-O 3.22Å; K37-S39 WeakPolarHBondContact CG-O 3.43Å; K37-E40 WeakPolarHBondContact CE-OE1 3.43Å; K37-E40 WeakPolarHBondContact CE-OE2 3.47Å; K37-E40 IonicContact NZ-OE1 2.68Å; K37-E40 PolarHBondContact NZ-OE1 2.83Å; K37-E40 IonicContact NZ-OE2 2.73Å; K37-E40 PolarHBondContact NZ-OE2 3.34Å; K37-L43 HydrophobicContact CB-CD2 4.37Å; K37-Q61 WeakPolarHBondContact O-CG 3.41Å; K37-Q61 PolarHBondContact O-NE2 3.43Å; K37-I188 HydrophobicContact CD-CD1 4.2Å; K37-I188 HydrophobicContact CG-CD1 3.82Å
38L97.3Very high97Very high0 Ų039.2 Ų39.20%019%0.194CC..EExtended strand (participates in β ladder)trans-83.1-39176.7-61-169.4000111.4F36 I42 L44 I60 Q61 V64 Q65 L104F36-L38 PolarHBondContact O-N 3.4Å; L38-I42 HydrophobicContact CB-CB 4.16Å; L38-I42 HydrophobicContact CB-CG2 3.92Å; L38-I42 HydrophobicContact CD1-CG2 3.87Å; L38-I42 HydrophobicContact CG-CG2 4.22Å; L38-I42 PolarHBondContact N-O 3.15Å; L38-L44 HydrophobicContact CD1-CB 3.8Å; L38-L44 HydrophobicContact CD1-CD2 4.48Å; L38-L44 HydrophobicContact CD2-CB 3.93Å; L38-L44 HydrophobicContact CD2-CD2 4.17Å; L38-L44 HydrophobicContact CG-CB 3.75Å; L38-I60 HydrophobicContact CD1-CG2 4.05Å; L38-I60 HydrophobicContact CD2-CG2 4.13Å; L38-Q61 HydrophobicContact CD2-CB 3.85Å; L38-Q61 HydrophobicContact CD2-CG 4.25Å; L38-V64 HydrophobicContact CB-CG1 4.24Å; L38-V64 HydrophobicContact CD1-CG2 4.46Å; L38-Q65 PolarHBondContact O-NE2 3.4Å; L38-L104 HydrophobicContact CD1-CD1 4.04Å
39S95.1Very high97Very high3 Ų338.1 Ų38.12%0.02119%0.187CC..EExtended strand (participates in β ladder)trans-149.6-175175.991.30000110.1K37 K41 I42 E74K37-S39 VanDerWaalsContact CE-O 3.26Å; K37-S39 WeakPolarHBondContact CE-O 3.22Å; K37-S39 WeakPolarHBondContact CG-O 3.43Å; S39-K41 PolarHBondContact O-N 3.05Å; S39-K41 PolarHBondContact OG-N 3.36Å; S39-I42 PolarHBondContact N-O 2.87Å; S39-I42 WeakPolarHBondContact OG-CG1 3.45Å; S39-I42 PolarHBondContact OG-N 3.31Å; S39-E74 WeakPolarHBondContact CB-OE2 3.21Å; S39-E74 PolarHBondContact OG-OE2 2.92Å
40E95.3Very high97Very high91 Ų9138.8 Ų38.843%0.42521%0.207SC..THydrogen-bonded Turntrans-64-24.4178.1-63.5-52.8127.200113.2K37 E74 G187 I188K37-E40 WeakPolarHBondContact CE-OE1 3.43Å; K37-E40 WeakPolarHBondContact CE-OE2 3.47Å; K37-E40 IonicContact NZ-OE1 2.68Å; K37-E40 PolarHBondContact NZ-OE1 2.83Å; K37-E40 IonicContact NZ-OE2 2.73Å; K37-E40 PolarHBondContact NZ-OE2 3.34Å; E40-E74 PolarHBondContact N-OE2 3.01Å; E40-G187 WeakPolarHBondContact O-CA 3.35Å; E40-I188 WeakPolarHBondContact O-CG1 3.38Å; E40-I188 PolarHBondContact O-N 3.03Å
41K96.9Very high97.2Very high39 Ų3935.9 Ų35.917%0.1721%0.205CC..THydrogen-bonded Turntrans-123.112.7-176.1-56.3-176.4-179.9-175.90113.7S39 G106 H107 E109 K185S39-K41 PolarHBondContact O-N 3.05Å; S39-K41 PolarHBondContact OG-N 3.36Å; K41-G106 CarbonylContact O-C 3.6Å; K41-G106 WeakPolarHBondContact O-CA 3.5Å; K41-H107 WeakPolarHBondContact CB-O 3.22Å; K41-H107 PolarHBondContact O-N 3.24Å; K41-E109 IonicContact NZ-OE1 3.35Å; K41-E109 PolarHBondContact NZ-OE1 3.49Å; K41-K185 VanDerWaalsContact CE-O 3.22Å; K41-K185 WeakPolarHBondContact CE-O 3.37Å; K41-K185 PolarHBondContact NZ-O 3.38Å; K41-K185 VanDerWaalsContact NZ-O 3.15Å
42I98.1Very high97.3Very high1 Ų133.2 Ų33.21%0.00519%0.191CC..EExtended strand (participates in β ladder)trans-133.3125.2-178.1-56.9174.5000111.1L38 S39 L75 P77 A80 L104 A105L38-I42 HydrophobicContact CB-CB 4.16Å; L38-I42 HydrophobicContact CB-CG2 3.92Å; L38-I42 HydrophobicContact CD1-CG2 3.87Å; L38-I42 HydrophobicContact CG-CG2 4.22Å; L38-I42 PolarHBondContact N-O 3.15Å; S39-I42 PolarHBondContact N-O 2.87Å; S39-I42 WeakPolarHBondContact OG-CG1 3.45Å; S39-I42 PolarHBondContact OG-N 3.31Å; I42-L75 VanDerWaalsContact CD1-O 3.24Å; I42-L75 WeakPolarHBondContact CD1-O 3.3Å; I42-P77 HydrophobicContact CD1-CG 4.34Å; I42-P77 HydrophobicContact CG1-CG 4.15Å; I42-A80 HydrophobicContact CD1-CB 3.97Å; I42-L104 HydrophobicContact CG2-CD1 4.31Å; I42-L104 HydrophobicContact CG2-CD2 3.93Å; I42-L104 HydrophobicContact CG2-CG 4.06Å; I42-A105 WeakPolarHBondContact CA-O 3.26Å
43L98.5Very high97.4Very high1 Ų130.7 Ų30.71%0.00518%0.182CC..EExtended strand (participates in β ladder)trans-112.7137169.8-75.7173.9000111V15 K37 L45 L104 A105 R181 I183 I188V15-L43 HydrophobicContact CG2-CD1 4Å; K37-L43 HydrophobicContact CB-CD2 4.37Å; L43-L45 HydrophobicContact CB-CD1 4.45Å; L43-L104 WeakPolarHBondContact O-CA 3.36Å; L43-A105 PolarHBondContact N-O 2.99Å; L43-A105 PolarHBondContact O-N 2.81Å; L43-R181 HydrophobicContact CD1-CB 3.81Å; L43-R181 HydrophobicContact CD1-CG 4.36Å; L43-I183 HydrophobicContact CB-CD1 3.81Å; L43-I183 HydrophobicContact CD1-CD1 3.77Å; L43-I183 HydrophobicContact CD1-CG1 3.9Å; L43-I183 HydrophobicContact CG-CD1 3.91Å; L43-I183 HydrophobicContact CG-CG1 4.41Å; L43-I188 HydrophobicContact CD1-CD1 4.46Å; L43-I188 HydrophobicContact CD1-CG1 4.3Å; L43-I188 HydrophobicContact CD1-CG2 3.82Å; L43-I188 HydrophobicContact CD2-CD1 3.87Å; L43-I188 HydrophobicContact CD2-CG2 4.38Å; L43-I188 HydrophobicContact CG-CD1 3.73Å; L43-I188 HydrophobicContact CG-CG1 4.04Å; L43-I188 HydrophobicContact CG-CG2 4.25Å
44L98.6Very high97.5Very high0 Ų030.4 Ų30.40%018%0.182CC..EExtended strand (participates in β ladder)trans-110121167.9179.668.8000109M35 F36 L38 A57 I60 L102 L104M35-L44 CarbonylContact C-O 3.59Å; F36-L44 HydrophobicContact CB-CB 4.46Å; F36-L44 PolarHBondContact N-O 2.81Å; F36-L44 PolarHBondContact O-N 3.16Å; L38-L44 HydrophobicContact CD1-CB 3.8Å; L38-L44 HydrophobicContact CD1-CD2 4.48Å; L38-L44 HydrophobicContact CD2-CB 3.93Å; L38-L44 HydrophobicContact CD2-CD2 4.17Å; L38-L44 HydrophobicContact CG-CB 3.75Å; L44-A57 HydrophobicContact CD2-CB 4.14Å; L44-I60 HydrophobicContact CD2-CB 4.45Å; L44-I60 HydrophobicContact CD2-CG2 4.37Å; L44-L102 HydrophobicContact CD1-CB 4.04Å; L44-L102 HydrophobicContact CD1-CD1 4.35Å; L44-L102 HydrophobicContact CD1-CD2 4.31Å; L44-L102 HydrophobicContact CD1-CG 4.47Å; L44-L104 HydrophobicContact CD1-CB 4.28Å; L44-L104 HydrophobicContact CD1-CD1 4.48Å
45L98.7Very high97.5Very high0 Ų036.4 Ų36.40%021%0.21CC..EExtended strand (participates in β ladder)trans-99.9127.5171.9-61.187.5000107.9L4 V15 A17 K34 M35 L43 L102 L103L4-L45 HydrophobicContact CD1-CB 3.7Å; L4-L45 HydrophobicContact CD2-CB 3.97Å; L4-L45 HydrophobicContact CD2-CD2 4.09Å; L4-L45 HydrophobicContact CG-CB 4.38Å; V15-L45 HydrophobicContact CB-CD1 4.03Å; V15-L45 HydrophobicContact CB-CD2 3.95Å; V15-L45 HydrophobicContact CG1-CD1 3.98Å; V15-L45 HydrophobicContact CG2-CD1 4.12Å; V15-L45 HydrophobicContact CG2-CD2 4.3Å; A17-L45 HydrophobicContact CB-CD2 4.31Å; K34-L45 WeakPolarHBondContact O-CA 3.45Å; M35-L45 HydrophobicContact CB-CG 4.46Å; M35-L45 HydrophobicContact CE-CD2 3.88Å; M35-L45 HydrophobicContact CG-CD2 3.83Å; M35-L45 HydrophobicContact CG-CG 3.85Å; M35-L45 HydrophobicContact SD-CD2 4.11Å; M35-L45 HydrophobicContact SD-CG 4.45Å; L43-L45 HydrophobicContact CB-CD1 4.45Å; L45-L102 VanDerWaalsContact O-CA 3.26Å; L45-L102 WeakPolarHBondContact O-CA 3.05Å; L45-L103 HydrophobicContact CB-CB 4.23Å; L45-L103 HydrophobicContact CD1-CB 4.22Å; L45-L103 PolarHBondContact N-O 2.86Å; L45-L103 PolarHBondContact O-N 2.97Å
46C98.3Very high97.5Very high3 Ų335.9 Ų35.92%0.0221%0.207CC..EExtended strand (participates in β ladder)trans-128.2128.2-171.9-171.20000110.9K34 F36 T53 A57 L102K34-C46 PolarHBondContact O-N 2.73Å; F36-C46 HydrophobicContact CD2-CB 4.23Å; F36-C46 HydrophobicContact CE2-CB 3.97Å; C46-T53 VanDerWaalsContact SG-CA 3.57Å; C46-T53 PolarHBondContact SG-O 3.47Å; C46-T53 VanDerWaalsContact SG-O 3.34Å; C46-A57 HydrophobicContact CB-CB 4.14Å; C46-L102 HydrophobicContact CB-CD2 3.71Å; C46-L102 WeakPolarHBondContact SG-CD2 3.43Å
47V98.1Very high97.5Very high7 Ų734.5 Ų34.54%0.04220%0.201CC..EExtended strand (participates in β ladder)trans-137.6156.4174.9-68.50000110.4E2 L4 K34 V100 N101 H132E2-V47 HydrophobicContact CB-CB 3.9Å; E2-V47 HydrophobicContact CB-CG1 3.41Å; E2-V47 VanDerWaalsContact CB-CG1 3.41Å; E2-V47 HydrophobicContact CG-CG1 4.19Å; E2-V47 VanDerWaalsContact OE2-CA 3.31Å; E2-V47 WeakPolarHBondContact OE2-CA 3.44Å; E2-V47 VanDerWaalsContact OE2-CB 3.29Å; E2-V47 WeakPolarHBondContact OE2-CB 3.17Å; L4-V47 HydrophobicContact CD1-CB 4.28Å; L4-V47 HydrophobicContact CD1-CG1 3.76Å; L4-V47 HydrophobicContact CD1-CG2 3.67Å; L4-V47 HydrophobicContact CD2-CG1 3.63Å; L4-V47 HydrophobicContact CG-CB 4.42Å; L4-V47 HydrophobicContact CG-CG1 3.53Å; L4-V47 HydrophobicContact CG-CG2 4.01Å; K34-V47 HydrophobicContact CD-CG1 3.89Å; V47-V100 CarbonylContact O-C 3.57Å; V47-V100 WeakPolarHBondContact O-CA 3.46Å; V47-N101 HydrophobicContact CG2-CB 4.08Å; V47-N101 WeakPolarHBondContact CG2-O 3.47Å; V47-N101 PolarHBondContact N-O 2.89Å; V47-N101 PolarHBondContact O-N 2.83Å; V47-H132 HydrophobicContact CG2-CB 4.12Å
48G97.1Very high97.5Very high32 Ų3234.7 Ų34.733%0.3320%0.203SC..EExtended strand (participates in β ladder)trans143.7-143-178.800000113.1E2 T53 H99E2-G48 PolarHBondContact OE2-N 3.15Å; G48-T53 VanDerWaalsContact N-CG2 3.33Å; G48-H99 WeakPolarHBondContact CA-O 3.14Å
49E97.2Very high97.6Very high112 Ų11238.7 Ų38.752%0.52322%0.219SC..SBendtrans-67.9138.9-179.8-173.5165177.100111.8G51 D52 T53 H99E49-G51 PolarHBondContact O-N 3.02Å; E49-D52 HydrophobicContact CB-CB 4.25Å; E49-D52 PolarHBondContact O-N 2.87Å; E49-T53 WeakPolarHBondContact O-CG2 3.33Å; E49-T53 PolarHBondContact O-N 3.14Å; E49-T53 PolarHBondContact O-OG1 3.43Å; E49-T53 VanDerWaalsContact O-OG1 3.06Å; E49-H99 HydrophobicContact CB-CB 4.01Å; E49-H99 PolarHBondContact N-O 3.07Å
50A95.4Very high97.7Very high94 Ų9438.6 Ų38.678%0.77722%0.218SC*.THydrogen-bonded Turntrans-66.1132.7177.200000109.8D52A50-D52 PolarHBondContact O-N 2.84Å
51G96.4Very high97.9Very high42 Ų4236 Ų3643%0.43321%0.206SC..THydrogen-bonded Turntrans96.6-61.4-172.300000111.3E49 T53 V54 Q55E49-G51 PolarHBondContact O-N 3.02Å; G51-T53 VanDerWaalsContact C-N 3.31Å; G51-T53 PolarHBondContact O-N 3.09Å; G51-V54 PolarHBondContact O-N 2.57Å; G51-Q55 WeakPolarHBondContact O-CB 3.25Å; G51-Q55 VanDerWaalsContact O-CG 3.26Å; G51-Q55 WeakPolarHBondContact O-CG 3.47Å; G51-Q55 PolarHBondContact O-N 2.88Å
52D97.9Very high97.9Very high36 Ų3639.9 Ų39.919%0.19322%0.223CC..Hα-helixtrans-55.3-45.8179.4-78.89.2000112.6E49 A50 V54 Q55 F56 Y98 H99 V100E49-D52 HydrophobicContact CB-CB 4.25Å; E49-D52 PolarHBondContact O-N 2.87Å; A50-D52 PolarHBondContact O-N 2.84Å; D52-V54 PolarHBondContact O-N 3.09Å; D52-Q55 PolarHBondContact O-N 3.24Å; D52-F56 WeakPolarHBondContact O-CB 3.32Å; D52-F56 PolarHBondContact O-N 2.85Å; D52-Y98 HydrophobicContact CB-CD1 4.09Å; D52-Y98 WeakPolarHBondContact OD2-CA 3.4Å; D52-H99 PolarHBondContact OD2-N 2.73Å; D52-V100 HydrophobicContact CB-CG1 3.99Å
53T97.6Very high98Very high7 Ų742.2 Ų42.24%0.04324%0.236CC..Hα-helixtrans-52.9-51.3179.541.40000112.8C46 G48 E49 G51 A57 V100C46-T53 VanDerWaalsContact SG-CA 3.57Å; C46-T53 PolarHBondContact SG-O 3.47Å; C46-T53 VanDerWaalsContact SG-O 3.34Å; G48-T53 VanDerWaalsContact N-CG2 3.33Å; E49-T53 WeakPolarHBondContact O-CG2 3.33Å; E49-T53 PolarHBondContact O-N 3.14Å; E49-T53 PolarHBondContact O-OG1 3.43Å; E49-T53 VanDerWaalsContact O-OG1 3.06Å; G51-T53 VanDerWaalsContact C-N 3.31Å; G51-T53 PolarHBondContact O-N 3.09Å; T53-A57 WeakPolarHBondContact O-CB 3.42Å; T53-A57 PolarHBondContact O-N 3.36Å; T53-V100 HydrophobicContact CG2-CG1 3.99Å
54V97.9Very high97.9Very high47 Ų4742.3 Ų42.329%0.28524%0.236SC..Hα-helixtrans-71.8-47.2-178.4179.40000110.6G51 D52 F56 A57 E58G51-V54 PolarHBondContact O-N 2.57Å; D52-V54 PolarHBondContact O-N 3.09Å; V54-F56 VanDerWaalsContact C-N 3.34Å; V54-F56 PolarHBondContact O-N 2.93Å; V54-A57 PolarHBondContact O-N 3.16Å; V54-E58 HydrophobicContact CG1-CG 4.24Å; V54-E58 WeakPolarHBondContact O-CB 3.38Å; V54-E58 WeakPolarHBondContact O-CG 3.03Å; V54-E58 PolarHBondContact O-N 3.38Å
55Q98.3Very high97.9Very high126 Ų12644.7 Ų44.759%0.58925%0.247SC*.Hα-helixtrans-59.2-46.7-179-69.7-69-0.400111.5G51 D52 Y59 Y98G51-Q55 WeakPolarHBondContact O-CB 3.25Å; G51-Q55 VanDerWaalsContact O-CG 3.26Å; G51-Q55 WeakPolarHBondContact O-CG 3.47Å; G51-Q55 PolarHBondContact O-N 2.88Å; D52-Q55 PolarHBondContact O-N 3.24Å; Q55-Y59 WeakPolarHBondContact O-CB 3.36Å; Q55-Y59 PolarHBondContact O-N 3.07Å; Q55-Y98 HydrophobicContact CB-CE1 4.24Å
56F98.4Very high97.9Very high0 Ų048.8 Ų48.80%027%0.268CS..Hα-helixtrans-69.3-46.9179.9-172.1-99.7000111.8D52 V54 E58 Y59 I60 T84 N87 L88 Y98 V100 L102D52-F56 WeakPolarHBondContact O-CB 3.32Å; D52-F56 PolarHBondContact O-N 2.85Å; V54-F56 VanDerWaalsContact C-N 3.34Å; V54-F56 PolarHBondContact O-N 2.93Å; F56-E58 PolarHBondContact O-N 2.78Å; F56-Y59 PolarHBondContact O-N 3.01Å; F56-I60 HydrophobicContact CD1-CG1 4.22Å; F56-I60 HydrophobicContact CE1-CD1 4.37Å; F56-I60 HydrophobicContact CE1-CG1 3.78Å; F56-I60 HydrophobicContact CE2-CD1 4.38Å; F56-I60 HydrophobicContact CE2-CG1 4.39Å; F56-I60 HydrophobicContact CZ-CD1 3.97Å; F56-I60 HydrophobicContact CZ-CG1 3.88Å; F56-I60 WeakPolarHBondContact O-CG1 3.39Å; F56-I60 PolarHBondContact O-N 2.8Å; F56-T84 HydrophobicContact CE1-CG2 3.81Å; F56-T84 HydrophobicContact CZ-CG2 4.14Å; F56-N87 HydrophobicContact CE2-CB 4.21Å; F56-N87 HydrophobicContact CZ-CB 4.41Å; F56-L88 HydrophobicContact CE1-CD1 4.46Å; F56-L88 HydrophobicContact CE2-CB 4.23Å; F56-L88 HydrophobicContact CE2-CD1 4.14Å; F56-L88 HydrophobicContact CZ-CB 3.76Å; F56-L88 HydrophobicContact CZ-CD1 4.09Å; F56-L88 HydrophobicContact CZ-CG 4.43Å; F56-Y98 HydrophobicContact CB-CD1 3.84Å; F56-Y98 HydrophobicContact CB-CE1 4.18Å; F56-Y98 HydrophobicContact CB-CG 4.09Å; F56-Y98 HydrophobicContact CD2-CD1 4.22Å; F56-Y98 AromaticContact CD2-CD2 3.54Å; F56-Y98 HydrophobicContact CD2-CD2 3.54Å; F56-Y98 AromaticContact CD2-CE2 3.9Å; F56-Y98 HydrophobicContact CD2-CE2 3.9Å; F56-Y98 AromaticContact CD2-CG 3.71Å; F56-Y98 HydrophobicContact CD2-CG 3.71Å; F56-Y98 HydrophobicContact CE2-CD2 4.13Å; F56-Y98 HydrophobicContact CG-CD1 4.43Å; F56-Y98 HydrophobicContact CG-CD2 4.45Å; F56-Y98 HydrophobicContact CG-CG 4.2Å; F56-V100 HydrophobicContact CD1-CG2 3.88Å; F56-V100 HydrophobicContact CE1-CG2 4.3Å; F56-V100 HydrophobicContact CG-CG2 4.27Å; F56-L102 HydrophobicContact CD1-CD1 4.25Å; F56-L102 HydrophobicContact CE1-CD1 3.69Å
57A98.3Very high97.9Very high0 Ų052.2 Ų52.20%028%0.282CS..Hα-helixtrans-62.7-43.1-17900000112.2F36 L44 C46 T53 V54 I60 Q61F36-A57 HydrophobicContact CD1-CB 3.92Å; F36-A57 HydrophobicContact CD2-CB 3.58Å; F36-A57 HydrophobicContact CE1-CB 3.93Å; F36-A57 HydrophobicContact CE2-CB 3.61Å; F36-A57 HydrophobicContact CG-CB 3.75Å; F36-A57 HydrophobicContact CZ-CB 3.78Å; L44-A57 HydrophobicContact CD2-CB 4.14Å; C46-A57 HydrophobicContact CB-CB 4.14Å; T53-A57 WeakPolarHBondContact O-CB 3.42Å; T53-A57 PolarHBondContact O-N 3.36Å; V54-A57 PolarHBondContact O-N 3.16Å; A57-I60 PolarHBondContact O-N 3.02Å; A57-Q61 WeakPolarHBondContact O-CB 3.39Å; A57-Q61 PolarHBondContact O-N 2.86Å
58E98.4Very high97.8Very high87 Ų8754.8 Ų54.841%0.40729%0.292SS..Hα-helixtrans-67.5-40.1176.4-71-170.4179.800112F36 V54 F56 I60 Q61 K62F36-E58 HydrophobicContact CE1-CG 4.36Å; V54-E58 HydrophobicContact CG1-CG 4.24Å; V54-E58 WeakPolarHBondContact O-CB 3.38Å; V54-E58 WeakPolarHBondContact O-CG 3.03Å; V54-E58 PolarHBondContact O-N 3.38Å; F56-E58 PolarHBondContact O-N 2.78Å; E58-I60 VanDerWaalsContact C-N 3.33Å; E58-I60 PolarHBondContact O-N 2.84Å; E58-Q61 WeakPolarHBondContact O-CB 3.45Å; E58-Q61 PolarHBondContact O-N 3.48Å; E58-K62 WeakPolarHBondContact O-CG 3.46Å; E58-K62 PolarHBondContact O-N 3.23Å
59Y98.5Very high97.8Very high85 Ų8560.2 Ų60.233%0.33331%0.311SS..Hα-helixtrans-56.3-48.2174.2172.9-94.3000111.5Q55 F56 N63 N87Q55-Y59 WeakPolarHBondContact O-CB 3.36Å; Q55-Y59 PolarHBondContact O-N 3.07Å; F56-Y59 PolarHBondContact O-N 3.01Å; Y59-N63 WeakPolarHBondContact CE2-ND2 3.44Å; Y59-N63 PolarHBondContact O-N 3.4Å; Y59-N63 PolarHBondContact O-ND2 3.44Å; Y59-N87 HydrophobicContact CE1-CB 4.41Å; Y59-N87 PolarHBondContact OH-OD1 3.28Å
60I98.6Very high97.9Very high0 Ų064.1 Ų64.10%032%0.32CS..Hα-helixtrans-62.8-46.4176-63.9-60000110.4L38 L44 F56 A57 E58 K62 N63 V64 F83 T84 N87L38-I60 HydrophobicContact CD1-CG2 4.05Å; L38-I60 HydrophobicContact CD2-CG2 4.13Å; L44-I60 HydrophobicContact CD2-CB 4.45Å; L44-I60 HydrophobicContact CD2-CG2 4.37Å; F56-I60 HydrophobicContact CD1-CG1 4.22Å; F56-I60 HydrophobicContact CE1-CD1 4.37Å; F56-I60 HydrophobicContact CE1-CG1 3.78Å; F56-I60 HydrophobicContact CE2-CD1 4.38Å; F56-I60 HydrophobicContact CE2-CG1 4.39Å; F56-I60 HydrophobicContact CZ-CD1 3.97Å; F56-I60 HydrophobicContact CZ-CG1 3.88Å; F56-I60 WeakPolarHBondContact O-CG1 3.39Å; F56-I60 PolarHBondContact O-N 2.8Å; A57-I60 PolarHBondContact O-N 3.02Å; E58-I60 VanDerWaalsContact C-N 3.33Å; E58-I60 PolarHBondContact O-N 2.84Å; I60-K62 PolarHBondContact O-N 3.13Å; I60-N63 PolarHBondContact O-N 3.14Å; I60-V64 HydrophobicContact CG2-CG2 4.22Å; I60-V64 WeakPolarHBondContact O-CG2 3.4Å; I60-V64 PolarHBondContact O-N 3.27Å; I60-F83 HydrophobicContact CD1-CD1 4.14Å; I60-F83 HydrophobicContact CD1-CE1 3.8Å; I60-T84 HydrophobicContact CD1-CG2 4.44Å; I60-T84 HydrophobicContact CG1-CG2 4.28Å; I60-N87 HydrophobicContact CD1-CB 4.09Å
61Q98.2Very high98Very high36 Ų3663.1 Ų63.117%0.16830%0.302CS..Hα-helixtrans-54.5-48.7178.8-171.5-17051.500112.4K37 L38 A57 E58 N63 V64 Q65K37-Q61 WeakPolarHBondContact O-CG 3.41Å; K37-Q61 PolarHBondContact O-NE2 3.43Å; L38-Q61 HydrophobicContact CD2-CB 3.85Å; L38-Q61 HydrophobicContact CD2-CG 4.25Å; A57-Q61 WeakPolarHBondContact O-CB 3.39Å; A57-Q61 PolarHBondContact O-N 2.86Å; E58-Q61 WeakPolarHBondContact O-CB 3.45Å; E58-Q61 PolarHBondContact O-N 3.48Å; Q61-N63 PolarHBondContact O-N 3.09Å; Q61-V64 PolarHBondContact O-N 3.29Å; Q61-Q65 WeakPolarHBondContact O-CG 3.39Å; Q61-Q65 PolarHBondContact O-N 2.98Å
62K98.4Very high97.9Very high122 Ų12264.5 Ų64.553%0.5332%0.317SS..Hα-helixtrans-68.8-35.9-177.6-59.1-40.1173.3-161.60112.1E58 I60 Q65 L66E58-K62 WeakPolarHBondContact O-CG 3.46Å; E58-K62 PolarHBondContact O-N 3.23Å; I60-K62 PolarHBondContact O-N 3.13Å; K62-Q65 PolarHBondContact O-N 2.9Å; K62-L66 VanDerWaalsContact O-CB 3.25Å; K62-L66 WeakPolarHBondContact O-CB 3.48Å; K62-L66 PolarHBondContact O-N 2.97Å
63N98.4Very high97.7Very high50 Ų5069.3 Ų69.327%0.26733%0.333SS..Hα-helixtrans-69.9-37.5176.8-78.9-77.7000112.7Y59 I60 Q61 L66 Y67 F83Y59-N63 WeakPolarHBondContact CE2-ND2 3.44Å; Y59-N63 PolarHBondContact O-N 3.4Å; Y59-N63 PolarHBondContact O-ND2 3.44Å; I60-N63 PolarHBondContact O-N 3.14Å; Q61-N63 PolarHBondContact O-N 3.09Å; N63-L66 PolarHBondContact O-N 3.3Å; N63-Y67 PolarHBondContact O-N 2.84Å; N63-F83 HydrophobicContact CB-CE1 3.79Å; N63-F83 HydrophobicContact CB-CZ 3.67Å
64V97.8Very high97.6Very high2 Ų271.5 Ų71.51%0.01234%0.343CS..Hα-helixtrans-64.7-44.2173.8173.80000110.8L38 I60 Q61 Y67 K68 L75L38-V64 HydrophobicContact CB-CG1 4.24Å; L38-V64 HydrophobicContact CD1-CG2 4.46Å; I60-V64 HydrophobicContact CG2-CG2 4.22Å; I60-V64 WeakPolarHBondContact O-CG2 3.4Å; I60-V64 PolarHBondContact O-N 3.27Å; Q61-V64 PolarHBondContact O-N 3.29Å; V64-Y67 WeakPolarHBondContact O-CB 3.42Å; V64-Y67 PolarHBondContact O-N 2.82Å; V64-K68 PolarHBondContact O-N 2.93Å; V64-K68 VanDerWaalsContact O-N 3.17Å; V64-L75 HydrophobicContact CG1-CD1 4.31Å; V64-L75 HydrophobicContact CG2-CD1 4.1Å
65Q97.8Very high97.5Very high51 Ų5170.6 Ų70.624%0.23834%0.336CS..Hα-helixtrans-64.9-39.5175.2-72.2-65.4-34.700112.2L38 Q61 K62 Y67 K68 M69L38-Q65 PolarHBondContact O-NE2 3.4Å; Q61-Q65 WeakPolarHBondContact O-CG 3.39Å; Q61-Q65 PolarHBondContact O-N 2.98Å; K62-Q65 PolarHBondContact O-N 2.9Å; Q65-Y67 VanDerWaalsContact C-N 3.32Å; Q65-Y67 PolarHBondContact O-N 2.93Å; Q65-K68 WeakPolarHBondContact O-CB 3.44Å; Q65-K68 PolarHBondContact O-N 3.25Å; Q65-M69 WeakPolarHBondContact O-CG 3.35Å; Q65-M69 PolarHBondContact O-N 2.68Å
66L98.3Very high97.5Very high85 Ų8566.4 Ų66.445%0.44532%0.321SS..Hα-helixtrans-61.2-41.2174.6178.562.4000111.7K62 N63 K68 M69 R70K62-L66 VanDerWaalsContact O-CB 3.25Å; K62-L66 WeakPolarHBondContact O-CB 3.48Å; K62-L66 PolarHBondContact O-N 2.97Å; N63-L66 PolarHBondContact O-N 3.3Å; L66-K68 VanDerWaalsContact C-N 3.33Å; L66-K68 PolarHBondContact O-N 3.49Å; L66-M69 PolarHBondContact O-N 3.48Å; L66-R70 HydrophobicContact CD1-CG 4.05Å; L66-R70 HydrophobicContact CG-CG 4.4Å; L66-R70 WeakPolarHBondContact O-CB 3.49Å; L66-R70 WeakPolarHBondContact O-CG 3.28Å; L66-R70 PolarHBondContact O-N 3.01Å
67Y98.3Very high97.4Very high76 Ų7666.7 Ų66.730%0.29832%0.322SS..Hα-helixtrans-58.1-46.5175.1-176.7-80.9000111.2N63 V64 Q65 M69 R70 N71 Y73 L75N63-Y67 PolarHBondContact O-N 2.84Å; V64-Y67 WeakPolarHBondContact O-CB 3.42Å; V64-Y67 PolarHBondContact O-N 2.82Å; Q65-Y67 VanDerWaalsContact C-N 3.32Å; Q65-Y67 PolarHBondContact O-N 2.93Å; Y67-M69 PolarHBondContact O-N 3.17Å; Y67-R70 PolarHBondContact O-N 3.42Å; Y67-N71 WeakPolarHBondContact CD1-ND2 3.44Å; Y67-N71 VanDerWaalsContact CD2-ND2 3.26Å; Y67-N71 WeakPolarHBondContact CD2-ND2 3.48Å; Y67-N71 HydrophobicContact CE1-CB 4.2Å; Y67-N71 WeakPolarHBondContact CE1-ND2 3.45Å; Y67-N71 WeakPolarHBondContact CE2-ND2 3.46Å; Y67-N71 VanDerWaalsContact CZ-ND2 3.29Å; Y67-N71 WeakPolarHBondContact O-CB 3.42Å; Y67-N71 PolarHBondContact O-N 3.19Å; Y67-N71 PolarHBondContact O-ND2 3.49Å; Y67-Y73 HydrophobicContact CE1-CD2 4.18Å; Y67-Y73 AromaticContact CE1-CE2 3.76Å; Y67-Y73 HydrophobicContact CE1-CE2 3.76Å; Y67-Y73 WeakPolarHBondContact OH-CE2 3.45Å; Y67-Y73 PolarHBondContact OH-OH 3.2Å; Y67-L75 HydrophobicContact CD1-CD1 4.44Å; Y67-L75 HydrophobicContact CD1-CD2 3.72Å; Y67-L75 HydrophobicContact CD1-CG 3.63Å; Y67-L75 HydrophobicContact CD2-CD2 3.96Å; Y67-L75 HydrophobicContact CD2-CG 4.37Å; Y67-L75 HydrophobicContact CE1-CD2 3.53Å; Y67-L75 HydrophobicContact CE1-CG 3.91Å; Y67-L75 HydrophobicContact CE2-CD2 3.78Å; Y67-L75 HydrophobicContact CG-CD1 4.23Å; Y67-L75 HydrophobicContact CG-CD2 3.93Å; Y67-L75 HydrophobicContact CG-CG 3.88Å
68K97.1Very high97.4Very high61 Ų6168.9 Ų68.927%0.26534%0.338SS..Hα-helixtrans-57.1-48176.2-178.6-174.3-177.7167.90111.7V64 Q65 L66 R70 G72 Y73 E74V64-K68 PolarHBondContact O-N 2.93Å; V64-K68 VanDerWaalsContact O-N 3.17Å; Q65-K68 WeakPolarHBondContact O-CB 3.44Å; Q65-K68 PolarHBondContact O-N 3.25Å; L66-K68 VanDerWaalsContact C-N 3.33Å; L66-K68 PolarHBondContact O-N 3.49Å; K68-R70 VanDerWaalsContact C-N 3.32Å; K68-R70 PolarHBondContact O-N 2.95Å; K68-G72 WeakPolarHBondContact O-CA 3.45Å; K68-G72 PolarHBondContact O-N 3.37Å; K68-Y73 WeakPolarHBondContact CA-O 3.45Å; K68-E74 HydrophobicContact CD-CG 3.84Å; K68-E74 VanDerWaalsContact CE-OE1 3.31Å; K68-E74 WeakPolarHBondContact CE-OE1 3.34Å; K68-E74 HydrophobicContact CG-CG 4.08Å; K68-E74 IonicContact NZ-OE1 2.74Å; K68-E74 PolarHBondContact NZ-OE1 3.46Å
69M97.5Very high97.3Very high145 Ų14566.6 Ų66.671%0.71433%0.334SS*.Hα-helixtrans-66-33.4-179.1-63.9-60.7177.500113Q65 L66 Y67Q65-M69 WeakPolarHBondContact O-CG 3.35Å; Q65-M69 PolarHBondContact O-N 2.68Å; L66-M69 PolarHBondContact O-N 3.48Å; Y67-M69 PolarHBondContact O-N 3.17Å
70R98.1Very high97.3Very high194 Ų19462.5 Ų62.573%0.73232%0.318SS*.Hα-helixtrans-78.8-36.8-179.5-73.1179.168.7174.31.7113.5L66 Y67 K68L66-R70 HydrophobicContact CD1-CG 4.05Å; L66-R70 HydrophobicContact CG-CG 4.4Å; L66-R70 WeakPolarHBondContact O-CB 3.49Å; L66-R70 WeakPolarHBondContact O-CG 3.28Å; L66-R70 PolarHBondContact O-N 3.01Å; Y67-R70 PolarHBondContact O-N 3.42Å; K68-R70 VanDerWaalsContact C-N 3.32Å; K68-R70 PolarHBondContact O-N 2.95Å
71N97.3Very high97.3Very high74 Ų7462.5 Ų62.540%0.39632%0.318SS..Hα-helixtrans-105.3-16.1-171.7-59.7-59.6000113.8Y67 Y73Y67-N71 WeakPolarHBondContact CD1-ND2 3.44Å; Y67-N71 VanDerWaalsContact CD2-ND2 3.26Å; Y67-N71 WeakPolarHBondContact CD2-ND2 3.48Å; Y67-N71 HydrophobicContact CE1-CB 4.2Å; Y67-N71 WeakPolarHBondContact CE1-ND2 3.45Å; Y67-N71 WeakPolarHBondContact CE2-ND2 3.46Å; Y67-N71 VanDerWaalsContact CZ-ND2 3.29Å; Y67-N71 WeakPolarHBondContact O-CB 3.42Å; Y67-N71 PolarHBondContact O-N 3.19Å; Y67-N71 PolarHBondContact O-ND2 3.49Å; N71-Y73 VanDerWaalsContact C-N 3.32Å; N71-Y73 HydrophobicContact CB-CD1 4.08Å; N71-Y73 HydrophobicContact CB-CE1 3.71Å; N71-Y73 VanDerWaalsContact O-CD1 3.29Å; N71-Y73 WeakPolarHBondContact O-CD1 3.16Å
72G95.4Very high97.3Very high71 Ų7164.2 Ų64.273%0.73233%0.328SS*.SBendtrans82.42.2-179.400000115.1K68K68-G72 WeakPolarHBondContact O-CA 3.45Å; K68-G72 PolarHBondContact O-N 3.37Å
73Y94.3Very high97.3Very high136 Ų13661.6 Ų61.653%0.53332%0.317SS..SBendtrans-141.7157.8176.360.4-91.9000111.4Y67 K68 N71Y67-Y73 HydrophobicContact CE1-CD2 4.18Å; Y67-Y73 AromaticContact CE1-CE2 3.76Å; Y67-Y73 HydrophobicContact CE1-CE2 3.76Å; Y67-Y73 WeakPolarHBondContact OH-CE2 3.45Å; Y67-Y73 PolarHBondContact OH-OH 3.2Å; K68-Y73 WeakPolarHBondContact CA-O 3.45Å; N71-Y73 VanDerWaalsContact C-N 3.32Å; N71-Y73 HydrophobicContact CB-CD1 4.08Å; N71-Y73 HydrophobicContact CB-CE1 3.71Å; N71-Y73 VanDerWaalsContact O-CD1 3.29Å; N71-Y73 WeakPolarHBondContact O-CD1 3.16Å
74E94.9Very high97.3Very high54 Ų5459.2 Ų59.225%0.25230%0.304SS..PPolyproline II helixtrans-82.2156.4-177.5-55.4-163.3156.300112.4S39 E40 K68S39-E74 WeakPolarHBondContact CB-OE2 3.21Å; S39-E74 PolarHBondContact OG-OE2 2.92Å; E40-E74 PolarHBondContact N-OE2 3.01Å; K68-E74 HydrophobicContact CD-CG 3.84Å; K68-E74 VanDerWaalsContact CE-OE1 3.31Å; K68-E74 WeakPolarHBondContact CE-OE1 3.34Å; K68-E74 HydrophobicContact CG-CG 4.08Å; K68-E74 IonicContact NZ-OE1 2.74Å; K68-E74 PolarHBondContact NZ-OE1 3.46Å
75L96.1Very high97.4Very high27 Ų2763.4 Ų63.414%0.14132%0.319CS..PPolyproline II helixtrans-69.2144.6168.5-72.5171.4000110I42 V64 Y67 A79 A80I42-L75 VanDerWaalsContact CD1-O 3.24Å; I42-L75 WeakPolarHBondContact CD1-O 3.3Å; V64-L75 HydrophobicContact CG1-CD1 4.31Å; V64-L75 HydrophobicContact CG2-CD1 4.1Å; Y67-L75 HydrophobicContact CD1-CD1 4.44Å; Y67-L75 HydrophobicContact CD1-CD2 3.72Å; Y67-L75 HydrophobicContact CD1-CG 3.63Å; Y67-L75 HydrophobicContact CD2-CD2 3.96Å; Y67-L75 HydrophobicContact CD2-CG 4.37Å; Y67-L75 HydrophobicContact CE1-CD2 3.53Å; Y67-L75 HydrophobicContact CE1-CG 3.91Å; Y67-L75 HydrophobicContact CE2-CD2 3.78Å; Y67-L75 HydrophobicContact CG-CD1 4.23Å; Y67-L75 HydrophobicContact CG-CD2 3.93Å; Y67-L75 HydrophobicContact CG-CG 3.88Å; L75-A79 HydrophobicContact CB-CB 4.41Å; L75-A79 HydrophobicContact CD2-CB 4.05Å; L75-A80 HydrophobicContact CB-CB 4.45Å
76S96.8Very high97.4Very high38 Ų3866 Ų6627%0.26633%0.33SS..PPolyproline II helixtrans-67.9155.3167.171.80000110.6S78 A79 A80S76-S78 PolarHBondContact O-N 3.24Å; S76-A79 PolarHBondContact O-N 2.89Å; S76-A79 WeakPolarHBondContact OG-CB 3.29Å; S76-A79 PolarHBondContact OG-N 3.22Å; S76-A80 PolarHBondContact O-N 3.05Å
77P97.3Very high97.4Very high6 Ų662.8 Ų62.84%0.03931%0.313CS..Hα-helixtrans-54.5-38.7176.5-25.434000112.9I42 A80 A81 L104 D108 F116I42-P77 HydrophobicContact CD1-CG 4.34Å; I42-P77 HydrophobicContact CG1-CG 4.15Å; P77-A80 PolarHBondContact O-N 3.33Å; P77-A81 WeakPolarHBondContact O-CB 3.48Å; P77-A81 PolarHBondContact O-N 2.91Å; P77-L104 HydrophobicContact CB-CD2 4.28Å; P77-D108 HydrophobicContact CG-CB 4.22Å; P77-F116 HydrophobicContact CB-CE2 4.05Å
78S97.5Very high97.4Very high47 Ų4759.2 Ų59.233%0.32930%0.299SS..Hα-helixtrans-65.5-42.2176.4-175.30000112.3S76 A81 N82S76-S78 PolarHBondContact O-N 3.24Å; S78-A81 PolarHBondContact O-N 2.81Å; S78-N82 PolarHBondContact O-N 2.8Å; S78-N82 PolarHBondContact O-ND2 2.93Å
79A97.6Very high97.5Very high38 Ų3857.6 Ų57.631%0.31430%0.297SS..Hα-helixtrans-66.3-43.2176.400000111.3L75 S76 A81 N82 F83L75-A79 HydrophobicContact CB-CB 4.41Å; L75-A79 HydrophobicContact CD2-CB 4.05Å; S76-A79 PolarHBondContact O-N 2.89Å; S76-A79 WeakPolarHBondContact OG-CB 3.29Å; S76-A79 PolarHBondContact OG-N 3.22Å; A79-A81 PolarHBondContact O-N 2.95Å; A79-N82 PolarHBondContact O-N 2.97Å; A79-F83 WeakPolarHBondContact O-CB 3.4Å; A79-F83 PolarHBondContact O-N 2.99Å
80A98.2Very high97.5Very high0 Ų054.9 Ų54.90%029%0.286CS..Hα-helixtrans-62.2-40.9175.800000112.1I42 L75 S76 P77 F83 T84 L104I42-A80 HydrophobicContact CD1-CB 3.97Å; L75-A80 HydrophobicContact CB-CB 4.45Å; S76-A80 PolarHBondContact O-N 3.05Å; P77-A80 PolarHBondContact O-N 3.33Å; A80-F83 PolarHBondContact O-N 2.75Å; A80-T84 WeakPolarHBondContact O-CB 3.24Å; A80-T84 PolarHBondContact O-N 3.41Å; A80-T84 PolarHBondContact O-OG1 2.82Å; A80-L104 HydrophobicContact CB-CD1 4.04Å
81A98.3Very high97.5Very high0 Ų049.1 Ų49.10%027%0.265CS..Hα-helixtrans-62.4-46175.300000112.3P77 S78 A79 T84 R85 L104 F116 M118 L124P77-A81 WeakPolarHBondContact O-CB 3.48Å; P77-A81 PolarHBondContact O-N 2.91Å; S78-A81 PolarHBondContact O-N 2.81Å; A79-A81 PolarHBondContact O-N 2.95Å; A81-T84 PolarHBondContact O-N 2.76Å; A81-R85 WeakPolarHBondContact O-CB 3.41Å; A81-R85 PolarHBondContact O-N 2.69Å; A81-L104 HydrophobicContact CB-CD1 4.3Å; A81-L104 HydrophobicContact CB-CD2 4.37Å; A81-F116 HydrophobicContact CB-CB 4.14Å; A81-F116 HydrophobicContact CB-CD1 3.99Å; A81-F116 HydrophobicContact CB-CD2 3.99Å; A81-F116 HydrophobicContact CB-CE1 4.39Å; A81-F116 HydrophobicContact CB-CE2 4.39Å; A81-F116 HydrophobicContact CB-CG 3.77Å; A81-M118 WeakPolarHBondContact O-CE 3.3Å; A81-L124 HydrophobicContact CB-CD1 4.1Å; A81-L124 HydrophobicContact CB-CD2 4.12Å
82N98.5Very high97.5Very high71 Ų7147.9 Ų47.938%0.3826%0.258SS..Hα-helixtrans-67.5-37.4177.4-79.6-72.4000112.8S78 A79 R85 K86S78-N82 PolarHBondContact O-N 2.8Å; S78-N82 PolarHBondContact O-ND2 2.93Å; A79-N82 PolarHBondContact O-N 2.97Å; N82-R85 PolarHBondContact O-N 3.44Å; N82-K86 WeakPolarHBondContact O-CB 3.49Å; N82-K86 PolarHBondContact O-N 2.85Å
83F98.6Very high97.5Very high67 Ų6755.3 Ų55.329%0.29426%0.264SS..Hα-helixtrans-62.5-45.1173.4175.5-103.3000111.6I60 N63 A79 A80 K86 N87I60-F83 HydrophobicContact CD1-CD1 4.14Å; I60-F83 HydrophobicContact CD1-CE1 3.8Å; N63-F83 HydrophobicContact CB-CE1 3.79Å; N63-F83 HydrophobicContact CB-CZ 3.67Å; A79-F83 WeakPolarHBondContact O-CB 3.4Å; A79-F83 PolarHBondContact O-N 2.99Å; A80-F83 PolarHBondContact O-N 2.75Å; F83-K86 PolarHBondContact O-N 3.08Å; F83-N87 VanDerWaalsContact CE2-ND2 3.3Å; F83-N87 WeakPolarHBondContact CE2-ND2 2.94Å; F83-N87 WeakPolarHBondContact CZ-ND2 3.38Å; F83-N87 PolarHBondContact O-N 3.14Å; F83-N87 VanDerWaalsContact O-N 3.16Å; F83-N87 PolarHBondContact O-ND2 2.67Å
84T98.6Very high97.7Very high0 Ų051 Ų510%025%0.254CS..Hα-helixtrans-60.9-47.3177-56.50000110.5F56 I60 A80 A81 K86 N87 L88 L102 M118F56-T84 HydrophobicContact CE1-CG2 3.81Å; F56-T84 HydrophobicContact CZ-CG2 4.14Å; I60-T84 HydrophobicContact CD1-CG2 4.44Å; I60-T84 HydrophobicContact CG1-CG2 4.28Å; A80-T84 WeakPolarHBondContact O-CB 3.24Å; A80-T84 PolarHBondContact O-N 3.41Å; A80-T84 PolarHBondContact O-OG1 2.82Å; A81-T84 PolarHBondContact O-N 2.76Å; T84-K86 VanDerWaalsContact C-N 3.33Å; T84-K86 PolarHBondContact O-N 2.93Å; T84-N87 PolarHBondContact O-N 2.88Å; T84-L88 PolarHBondContact O-N 3.25Å; T84-L102 HydrophobicContact CG2-CD1 3.64Å; T84-M118 HydrophobicContact CG2-CE 3.99Å; T84-M118 HydrophobicContact CG2-SD 4.16Å
85R98.6Very high97.7Very high90 Ų9060.4 Ų60.434%0.3429%0.287SS..Hα-helixtrans-58.3-44.5177.2-167.9-167.168.278.1-2.6112.1A81 N82 L88 A89 M118 A122 L124A81-R85 WeakPolarHBondContact O-CB 3.41Å; A81-R85 PolarHBondContact O-N 2.69Å; N82-R85 PolarHBondContact O-N 3.44Å; R85-L88 PolarHBondContact O-N 2.89Å; R85-A89 VanDerWaalsContact O-CB 3.22Å; R85-A89 WeakPolarHBondContact O-CB 3.31Å; R85-A89 PolarHBondContact O-N 3.34Å; R85-M118 HydrophobicContact CB-CE 3.64Å; R85-M118 HydrophobicContact CB-SD 4.14Å; R85-M118 HydrophobicContact CG-CE 4.31Å; R85-M118 HydrophobicContact CG-SD 4.45Å; R85-A122 WeakPolarHBondContact CD-O 3.32Å; R85-A122 HydrophobicContact CG-CB 4.29Å; R85-A122 WeakPolarHBondContact CG-O 3.37Å; R85-L124 HydrophobicContact CB-CD2 4.4Å; R85-L124 HydrophobicContact CG-CB 4.03Å
86K98.4Very high97.8Very high107 Ų10763 Ų6347%0.46530%0.304SS..Hα-helixtrans-60.3-49-179178.655.9175.4152.30111.1N82 F83 T84 A89 D90N82-K86 WeakPolarHBondContact O-CB 3.49Å; N82-K86 PolarHBondContact O-N 2.85Å; F83-K86 PolarHBondContact O-N 3.08Å; T84-K86 VanDerWaalsContact C-N 3.33Å; T84-K86 PolarHBondContact O-N 2.93Å; K86-A89 PolarHBondContact O-N 3.06Å; K86-D90 WeakPolarHBondContact CD-OD2 3.38Å; K86-D90 WeakPolarHBondContact CE-OD2 3.46Å; K86-D90 VanDerWaalsContact NZ-CG 3.25Å; K86-D90 IonicContact NZ-OD1 2.81Å; K86-D90 PolarHBondContact NZ-OD1 3.12Å; K86-D90 IonicContact NZ-OD2 3.93Å; K86-D90 PolarHBondContact NZ-OD2 3Å; K86-D90 WeakPolarHBondContact O-CB 3.31Å; K86-D90 PolarHBondContact O-N 3.29Å
87N98.3Very high97.8Very high17 Ų1764.4 Ų64.49%0.09131%0.312CS..Hα-helixtrans-62.9-48.4177.3-73.7-79.5000111.4F56 Y59 I60 F83 T84 A89 D90 Y91F56-N87 HydrophobicContact CE2-CB 4.21Å; F56-N87 HydrophobicContact CZ-CB 4.41Å; Y59-N87 HydrophobicContact CE1-CB 4.41Å; Y59-N87 PolarHBondContact OH-OD1 3.28Å; I60-N87 HydrophobicContact CD1-CB 4.09Å; F83-N87 VanDerWaalsContact CE2-ND2 3.3Å; F83-N87 WeakPolarHBondContact CE2-ND2 2.94Å; F83-N87 WeakPolarHBondContact CZ-ND2 3.38Å; F83-N87 PolarHBondContact O-N 3.14Å; F83-N87 VanDerWaalsContact O-N 3.16Å; F83-N87 PolarHBondContact O-ND2 2.67Å; T84-N87 PolarHBondContact O-N 2.88Å; N87-A89 VanDerWaalsContact C-N 3.29Å; N87-A89 PolarHBondContact O-N 2.83Å; N87-D90 PolarHBondContact O-N 3.02Å; N87-Y91 VanDerWaalsContact O-CD2 3.28Å; N87-Y91 WeakPolarHBondContact O-CD2 3.33Å; N87-Y91 PolarHBondContact O-N 2.68Å
88L98.1Very high97.8Very high1 Ų166.1 Ų66.11%0.00532%0.318CS..Hα-helixtrans-58.5-43.1179.7-169.259.3000111.7F56 T84 R85 L92 V100 L102 M118 A122F56-L88 HydrophobicContact CE1-CD1 4.46Å; F56-L88 HydrophobicContact CE2-CB 4.23Å; F56-L88 HydrophobicContact CE2-CD1 4.14Å; F56-L88 HydrophobicContact CZ-CB 3.76Å; F56-L88 HydrophobicContact CZ-CD1 4.09Å; F56-L88 HydrophobicContact CZ-CG 4.43Å; T84-L88 PolarHBondContact O-N 3.25Å; R85-L88 PolarHBondContact O-N 2.89Å; L88-L92 WeakPolarHBondContact O-CB 3.26Å; L88-L92 PolarHBondContact O-N 3.33Å; L88-V100 HydrophobicContact CD1-CG2 3.63Å; L88-V100 HydrophobicContact CD2-CG2 4.2Å; L88-L102 HydrophobicContact CD2-CD1 4.33Å; L88-M118 HydrophobicContact CB-SD 4.48Å; L88-M118 HydrophobicContact CD2-CG 4.21Å; L88-M118 HydrophobicContact CD2-SD 3.75Å; L88-A122 HydrophobicContact CB-CB 3.86Å; L88-A122 HydrophobicContact CD2-CB 4.05Å; L88-A122 HydrophobicContact CG-CB 3.89Å
89A98.3Very high97.8Very high27 Ų2768 Ų6822%0.22332%0.321CS..Hα-helixtrans-67.2-38.6178.100000113.5R85 K86 N87 L92 A122R85-A89 VanDerWaalsContact O-CB 3.22Å; R85-A89 WeakPolarHBondContact O-CB 3.31Å; R85-A89 PolarHBondContact O-N 3.34Å; K86-A89 PolarHBondContact O-N 3.06Å; N87-A89 VanDerWaalsContact C-N 3.29Å; N87-A89 PolarHBondContact O-N 2.83Å; A89-L92 WeakPolarHBondContact O-CB 3.14Å; A89-L92 PolarHBondContact O-N 2.73Å; A89-A122 HydrophobicContact CB-CB 3.69Å
90D97.9Very high97.9Very high87 Ų8766.1 Ų66.147%0.46531%0.306SS..Hα-helixtrans-69.1-37.9179.7-72.1-14.9000111K86 N87K86-D90 WeakPolarHBondContact CD-OD2 3.38Å; K86-D90 WeakPolarHBondContact CE-OD2 3.46Å; K86-D90 VanDerWaalsContact NZ-CG 3.25Å; K86-D90 IonicContact NZ-OD1 2.81Å; K86-D90 PolarHBondContact NZ-OD1 3.12Å; K86-D90 IonicContact NZ-OD2 3.93Å; K86-D90 PolarHBondContact NZ-OD2 3Å; K86-D90 WeakPolarHBondContact O-CB 3.31Å; K86-D90 PolarHBondContact O-N 3.29Å; N87-D90 PolarHBondContact O-N 3.02Å
91Y97.6Very high97.9Very high74 Ų7467.5 Ų67.529%0.2931%0.313SS..Hα-helixtrans-75.7-22.5174.7-79.5-80.6000113.6N87 R93 S94 P97 Y98N87-Y91 VanDerWaalsContact O-CD2 3.28Å; N87-Y91 WeakPolarHBondContact O-CD2 3.33Å; N87-Y91 PolarHBondContact O-N 2.68Å; Y91-R93 VanDerWaalsContact C-N 3.26Å; Y91-R93 PolarHBondContact O-N 2.9Å; Y91-R93 VanDerWaalsContact O-N 3.15Å; Y91-S94 VanDerWaalsContact O-CB 3.28Å; Y91-S94 WeakPolarHBondContact O-CB 3.38Å; Y91-S94 PolarHBondContact O-N 3.26Å; Y91-S94 PolarHBondContact O-OG 3.36Å; Y91-P97 WeakPolarHBondContact O-CA 3.11Å; Y91-Y98 HydrophobicContact CD1-CD2 4.44Å; Y91-Y98 AromaticContact CD1-CE2 3.87Å; Y91-Y98 HydrophobicContact CD1-CE2 3.87Å; Y91-Y98 HydrophobicContact CD2-CD2 4.31Å; Y91-Y98 AromaticContact CD2-CE2 3.91Å; Y91-Y98 HydrophobicContact CD2-CE2 3.91Å; Y91-Y98 HydrophobicContact CE1-CE2 4.27Å; Y91-Y98 HydrophobicContact CE2-CE2 4.33Å; Y91-Y98 AromaticContact CG-CD2 3.95Å; Y91-Y98 HydrophobicContact CG-CD2 3.95Å; Y91-Y98 AromaticContact CG-CE2 3.68Å; Y91-Y98 HydrophobicContact CG-CE2 3.68Å
92L97.4Very high97.9Very high48 Ų4867.6 Ų67.625%0.25131%0.314SS..Hα-helixtrans-54.9-35.4-175.9-175.962.8000114.2L88 A89L88-L92 WeakPolarHBondContact O-CB 3.26Å; L88-L92 PolarHBondContact O-N 3.33Å; A89-L92 WeakPolarHBondContact O-CB 3.14Å; A89-L92 PolarHBondContact O-N 2.73Å
93R96.8Very high97.9Very high227 Ų22764.2 Ų64.286%0.85730%0.296SS*.THydrogen-bonded Turntrans-105.49.9177.4-64.7-170.2177.684.70.5113.5Y91Y91-R93 VanDerWaalsContact C-N 3.26Å; Y91-R93 PolarHBondContact O-N 2.9Å; Y91-R93 VanDerWaalsContact O-N 3.15Å
94S96.9Very high97.9Very high46 Ų4661.2 Ų61.232%0.32228%0.283SS..SBendtrans-82.6-178.1175.382.60000111Y91 T96Y91-S94 VanDerWaalsContact O-CB 3.28Å; Y91-S94 WeakPolarHBondContact O-CB 3.38Å; Y91-S94 PolarHBondContact O-N 3.26Å; Y91-S94 PolarHBondContact O-OG 3.36Å; S94-T96 PolarHBondContact O-N 3.27Å; S94-T96 PolarHBondContact OG-N 3.09Å; S94-T96 VanDerWaalsContact OG-N 3.11Å; S94-T96 PolarHBondContact OG-O 3.17Å
95R96.5Very high97.9Very high251 Ų25161.2 Ų61.295%0.94728%0.283SS*.SBendtrans-73.8-13.5173.1-67.6-175.4177.5178.4-0.9113.4P97R95-P97 VanDerWaalsContact C-CD 3.5Å
96T96.8Very high97.9Very high82 Ų8257 Ų5750%0.50327%0.267SS..SBendtrans-129.668.3-176.756.20000109.3S94S94-T96 PolarHBondContact O-N 3.27Å; S94-T96 PolarHBondContact OG-N 3.09Å; S94-T96 VanDerWaalsContact OG-N 3.11Å; S94-T96 PolarHBondContact OG-O 3.17Å
97P97.3Very high97.8Very high67 Ų6752.7 Ų52.744%0.43525%0.248SC..  trans-67.6139.6173.630.9-34.2000109.7Y91 R95Y91-P97 WeakPolarHBondContact O-CA 3.11Å; R95-P97 VanDerWaalsContact C-CD 3.5Å
98Y98.3Very high97.7Very high42 Ų4253.3 Ų53.317%0.16525%0.252CS..  trans-91.5119.8174.1-67.5-78.3000110D52 Q55 F56 Y91 V100D52-Y98 HydrophobicContact CB-CD1 4.09Å; D52-Y98 WeakPolarHBondContact OD2-CA 3.4Å; Q55-Y98 HydrophobicContact CB-CE1 4.24Å; F56-Y98 HydrophobicContact CB-CD1 3.84Å; F56-Y98 HydrophobicContact CB-CE1 4.18Å; F56-Y98 HydrophobicContact CB-CG 4.09Å; F56-Y98 HydrophobicContact CD2-CD1 4.22Å; F56-Y98 AromaticContact CD2-CD2 3.54Å; F56-Y98 HydrophobicContact CD2-CD2 3.54Å; F56-Y98 AromaticContact CD2-CE2 3.9Å; F56-Y98 HydrophobicContact CD2-CE2 3.9Å; F56-Y98 AromaticContact CD2-CG 3.71Å; F56-Y98 HydrophobicContact CD2-CG 3.71Å; F56-Y98 HydrophobicContact CE2-CD2 4.13Å; F56-Y98 HydrophobicContact CG-CD1 4.43Å; F56-Y98 HydrophobicContact CG-CD2 4.45Å; F56-Y98 HydrophobicContact CG-CG 4.2Å; Y91-Y98 HydrophobicContact CD1-CD2 4.44Å; Y91-Y98 AromaticContact CD1-CE2 3.87Å; Y91-Y98 HydrophobicContact CD1-CE2 3.87Å; Y91-Y98 HydrophobicContact CD2-CD2 4.31Å; Y91-Y98 AromaticContact CD2-CE2 3.91Å; Y91-Y98 HydrophobicContact CD2-CE2 3.91Å; Y91-Y98 HydrophobicContact CE1-CE2 4.27Å; Y91-Y98 HydrophobicContact CE2-CE2 4.33Å; Y91-Y98 AromaticContact CG-CD2 3.95Å; Y91-Y98 HydrophobicContact CG-CD2 3.95Å; Y91-Y98 AromaticContact CG-CE2 3.68Å; Y91-Y98 HydrophobicContact CG-CE2 3.68Å; Y98-V100 PolarHBondContact O-N 3.28Å
99H97.9Very high97.3Very high85 Ų8561 Ų6139%0.39429%0.288SS..  trans-90.173.4178-163.281.2000111.6G48 E49 D52 Y120G48-H99 WeakPolarHBondContact CA-O 3.14Å; E49-H99 HydrophobicContact CB-CB 4.01Å; E49-H99 PolarHBondContact N-O 3.07Å; D52-H99 PolarHBondContact OD2-N 2.73Å; H99-Y120 AromaticContact CE1-CD2 3.76Å; H99-Y120 AromaticContact CE1-CG 3.92Å; H99-Y120 AromaticContact ND1-CD2 3.83Å
100V98.3Very high97Very high0 Ų064.6 Ų64.60%031%0.311CS..EExtended strand (participates in β ladder)trans-127.4144-174.3-59.60000112.3V47 D52 T53 F56 L88 Y98 L102 Y120V47-V100 CarbonylContact O-C 3.57Å; V47-V100 WeakPolarHBondContact O-CA 3.46Å; D52-V100 HydrophobicContact CB-CG1 3.99Å; T53-V100 HydrophobicContact CG2-CG1 3.99Å; F56-V100 HydrophobicContact CD1-CG2 3.88Å; F56-V100 HydrophobicContact CE1-CG2 4.3Å; F56-V100 HydrophobicContact CG-CG2 4.27Å; L88-V100 HydrophobicContact CD1-CG2 3.63Å; L88-V100 HydrophobicContact CD2-CG2 4.2Å; Y98-V100 PolarHBondContact O-N 3.28Å; V100-L102 HydrophobicContact CB-CD2 4.16Å; V100-L102 HydrophobicContact CG2-CD1 4.29Å; V100-L102 HydrophobicContact CG2-CD2 4.1Å; V100-L102 HydrophobicContact CG2-CG 4.26Å; V100-Y120 WeakPolarHBondContact O-CA 3.48Å; V100-Y120 VanDerWaalsContact O-CB 3.32Å; V100-Y120 WeakPolarHBondContact O-CB 3.17Å; V100-Y120 PolarHBondContact O-N 3.24Å
101N98.4Very high96.6Very high28 Ų2865.7 Ų65.715%0.1532%0.317CS..EExtended strand (participates in β ladder)trans-118.3139.8169.6-65.3-77000108.8V47 D119 Y120V47-N101 HydrophobicContact CG2-CB 4.08Å; V47-N101 WeakPolarHBondContact CG2-O 3.47Å; V47-N101 PolarHBondContact N-O 2.89Å; V47-N101 PolarHBondContact O-N 2.83Å; N101-D119 WeakPolarHBondContact OD1-CA 3.35Å; N101-Y120 PolarHBondContact OD1-N 3.17Å
102L98.2Very high96.5Very high2 Ų263.1 Ų63.11%0.0131%0.312CS..EExtended strand (participates in β ladder)trans-136.8138.2-163.4-47.2167.3000111.8L44 L45 C46 F56 T84 L88 V100 M118 H132L44-L102 HydrophobicContact CD1-CB 4.04Å; L44-L102 HydrophobicContact CD1-CD1 4.35Å; L44-L102 HydrophobicContact CD1-CD2 4.31Å; L44-L102 HydrophobicContact CD1-CG 4.47Å; L45-L102 VanDerWaalsContact O-CA 3.26Å; L45-L102 WeakPolarHBondContact O-CA 3.05Å; C46-L102 HydrophobicContact CB-CD2 3.71Å; C46-L102 WeakPolarHBondContact SG-CD2 3.43Å; F56-L102 HydrophobicContact CD1-CD1 4.25Å; F56-L102 HydrophobicContact CE1-CD1 3.69Å; T84-L102 HydrophobicContact CG2-CD1 3.64Å; L88-L102 HydrophobicContact CD2-CD1 4.33Å; V100-L102 HydrophobicContact CB-CD2 4.16Å; V100-L102 HydrophobicContact CG2-CD1 4.29Å; V100-L102 HydrophobicContact CG2-CD2 4.1Å; V100-L102 HydrophobicContact CG2-CG 4.26Å; L102-M118 HydrophobicContact CB-CB 4.24Å; L102-M118 HydrophobicContact CD1-SD 3.97Å; L102-M118 PolarHBondContact N-O 2.79Å; L102-M118 PolarHBondContact O-N 3.03Å; L102-H132 PolarHBondContact O-NE2 2.75Å
103L98.8Very high96.5Very high0 Ų061.3 Ų61.30%030%0.304CS..EExtended strand (participates in β ladder)trans-106.6128.6156.2-60.3-178.1000108.5L4 L45 L115 F116 Y117 A130L4-L103 HydrophobicContact CB-CD1 3.91Å; L4-L103 HydrophobicContact CB-CG 4.34Å; L4-L103 HydrophobicContact CD1-CG 4.39Å; L45-L103 HydrophobicContact CB-CB 4.23Å; L45-L103 HydrophobicContact CD1-CB 4.22Å; L45-L103 PolarHBondContact N-O 2.86Å; L45-L103 PolarHBondContact O-N 2.97Å; L103-L115 HydrophobicContact CB-CD1 4.44Å; L103-F116 CarbonylContact C-O 3.56Å; L103-F116 WeakPolarHBondContact CA-O 3.33Å; L103-Y117 HydrophobicContact CD2-CD2 3.87Å; L103-Y117 HydrophobicContact CD2-CG 4.49Å; L103-A130 HydrophobicContact CD2-CB 3.74Å
104L98.7Very high96.6Very high5 Ų550.7 Ų50.73%0.02627%0.265CS..EExtended strand (participates in β ladder)trans-108.7119.9167.7-172153.6000108.4L38 I42 L43 L44 P77 A80 A81 F116L38-L104 HydrophobicContact CD1-CD1 4.04Å; I42-L104 HydrophobicContact CG2-CD1 4.31Å; I42-L104 HydrophobicContact CG2-CD2 3.93Å; I42-L104 HydrophobicContact CG2-CG 4.06Å; L43-L104 WeakPolarHBondContact O-CA 3.36Å; L44-L104 HydrophobicContact CD1-CB 4.28Å; L44-L104 HydrophobicContact CD1-CD1 4.48Å; P77-L104 HydrophobicContact CB-CD2 4.28Å; A80-L104 HydrophobicContact CB-CD1 4.04Å; A81-L104 HydrophobicContact CB-CD1 4.3Å; A81-L104 HydrophobicContact CB-CD2 4.37Å; L104-F116 HydrophobicContact CB-CB 4.25Å; L104-F116 HydrophobicContact CD2-CD2 3.89Å; L104-F116 HydrophobicContact CD2-CE2 4.5Å; L104-F116 PolarHBondContact N-O 3.32Å; L104-F116 PolarHBondContact O-N 3.23Å
105A98.6Very high96.7Very high0 Ų048.5 Ų48.50%025%0.25CC..EExtended strand (participates in β ladder)trans-117.2137177.700000108.9V13 V15 I42 L43 G114 L115 I183V13-A105 HydrophobicContact CB-CB 4.26Å; V13-A105 HydrophobicContact CG1-CB 3.68Å; V15-A105 HydrophobicContact CG1-CB 3.51Å; I42-A105 WeakPolarHBondContact CA-O 3.26Å; L43-A105 PolarHBondContact N-O 2.99Å; L43-A105 PolarHBondContact O-N 2.81Å; A105-G114 WeakPolarHBondContact CA-O 3.41Å; A105-L115 HydrophobicContact CB-CD1 4.08Å; A105-I183 HydrophobicContact CB-CD1 3.58Å; A105-I183 VanDerWaalsContact O-CD1 3.3Å; A105-I183 WeakPolarHBondContact O-CD1 3.46Å
106G97.9Very high96.8Very high0 Ų037.3 Ų37.30%021%0.208CC..EExtended strand (participates in β ladder)trans-161169.8173.100000113.1K41 G114K41-G106 CarbonylContact O-C 3.6Å; K41-G106 WeakPolarHBondContact O-CA 3.5Å; G106-G114 PolarHBondContact N-O 3.01Å; G106-G114 PolarHBondContact O-N 3.23Å
107H97.6Very high96.9Very high18 Ų1837 Ų378%0.08320%0.198CC..EExtended strand (participates in β ladder)trans-124.1121.2174.8-172.3-65000109.8D11 K41 I183D11-H107 PolarHBondContact O-CD2 3.45Å; D11-H107 PolarHBondContact O-NE2 2.89Å; K41-H107 WeakPolarHBondContact CB-O 3.22Å; K41-H107 PolarHBondContact O-N 3.24Å; H107-I183 HydrophobicContact CB-CG2 4.03Å
108D94.7Very high96.9Very high30 Ų3034 Ų3416%0.1618%0.178CC..EExtended strand (participates in β ladder)trans-98.7150.5173.8-164.867.5000111P77 S110 D111 G112P77-D108 HydrophobicContact CG-CB 4.22Å; D108-S110 VanDerWaalsContact C-N 3.33Å; D108-S110 WeakPolarHBondContact OD2-CA 3.46Å; D108-S110 WeakPolarHBondContact OD2-CB 3.11Å; D108-S110 PolarHBondContact OD2-N 3.44Å; D108-S110 PolarHBondContact OD2-OG 2.89Å; D108-D111 HydrophobicContact CB-CB 4.1Å; D108-D111 PolarHBondContact OD2-N 3.03Å; D108-D111 VanDerWaalsContact OD2-N 3.09Å; D108-G112 PolarHBondContact N-O 2.88Å; D108-G112 VanDerWaalsContact O-CA 3.26Å; D108-G112 WeakPolarHBondContact O-CA 3.41Å; D108-G112 PolarHBondContact O-N 3.35Å; D108-G112 VanDerWaalsContact O-N 3.14Å
109E91.3Very high96.9Very high163 Ų16333.5 Ų33.576%0.76218%0.178SC*.THydrogen-bonded Turntrans-73.1-28.8177.9-70.1175.5-168.100112.5K41K41-E109 IonicContact NZ-OE1 3.35Å; K41-E109 PolarHBondContact NZ-OE1 3.49Å
110S90.6Very high96.9Very high102 Ų10234.2 Ų34.271%0.71318%0.178SC*.THydrogen-bonded Turntrans-95.7-47.4-178.465.30000112.5D108D108-S110 VanDerWaalsContact C-N 3.33Å; D108-S110 WeakPolarHBondContact OD2-CA 3.46Å; D108-S110 WeakPolarHBondContact OD2-CB 3.11Å; D108-S110 PolarHBondContact OD2-N 3.44Å; D108-S110 PolarHBondContact OD2-OG 2.89Å
111D91.1Very high96.9Very high110 Ų11039.5 Ų39.559%0.58820%0.204SC*.THydrogen-bonded Turntrans-91.5-7.6-175.7-69.6-31.9000113.8D108D108-D111 HydrophobicContact CB-CB 4.1Å; D108-D111 PolarHBondContact OD2-N 3.03Å; D108-D111 VanDerWaalsContact OD2-N 3.09Å
112G95.5Very high96.8Very high19 Ų1938.4 Ų38.420%0.19620%0.199CC..EExtended strand (participates in β ladder)trans70.6-151.6-176.600000113.3D108D108-G112 PolarHBondContact N-O 2.88Å; D108-G112 VanDerWaalsContact O-CA 3.26Å; D108-G112 WeakPolarHBondContact O-CA 3.41Å; D108-G112 PolarHBondContact O-N 3.35Å; D108-G112 VanDerWaalsContact O-N 3.14Å
113P97.5Very high96.8Very high11 Ų1141.9 Ų41.97%0.07122%0.224CC..EExtended strand (participates in β ladder)trans-70.3143.4-178.828.4-33.7000112.4Q8 G9 P10 V13Q8-P113 HydrophobicContact CG-CB 4.14Å; Q8-P113 HydrophobicContact CG-CG 4.23Å; Q8-P113 PolarHBondContact NE2-O 3.33Å; G9-P113 WeakPolarHBondContact O-CG 3.1Å; P10-P113 WeakPolarHBondContact O-CD 3.44Å; P10-P113 WeakPolarHBondContact O-CG 3.48Å; V13-P113 HydrophobicContact CG2-CB 3.52Å
114G97.6Very high96.8Very high4 Ų444 Ų444%0.04124%0.235CC..EExtended strand (participates in β ladder)trans-140.6124.4176.400000111.9A105 G106A105-G114 WeakPolarHBondContact CA-O 3.41Å; G106-G114 PolarHBondContact N-O 3.01Å; G106-G114 PolarHBondContact O-N 3.23Å
115L98.6Very high96.8Very high0 Ų046 Ų460%025%0.252CS..EExtended strand (participates in β ladder)trans-112.7126.9169.5178.267.9000110.1G6 Q8 V13 L103 A105 K126 A127 A130G6-L115 VanDerWaalsContact C-CD2 3.47Å; G6-L115 WeakPolarHBondContact O-CD2 3.36Å; Q8-L115 HydrophobicContact CB-CB 4.23Å; V13-L115 HydrophobicContact CG1-CB 4.13Å; V13-L115 HydrophobicContact CG1-CD1 4.19Å; L103-L115 HydrophobicContact CB-CD1 4.44Å; A105-L115 HydrophobicContact CB-CD1 4.08Å; L115-K126 WeakPolarHBondContact O-CA 3.14Å; L115-A127 WeakPolarHBondContact CB-O 3.3Å; L115-A127 PolarHBondContact O-N 3.02Å; L115-A130 HydrophobicContact CD2-CB 4.22Å
116F98.8Very high96.7Very high15 Ų1551.8 Ų51.87%0.06628%0.277CS..EExtended strand (participates in β ladder)trans-122.2125.5-176.8-62.9-85000110P77 A81 L103 L104 L124 A125 K126P77-F116 HydrophobicContact CB-CE2 4.05Å; A81-F116 HydrophobicContact CB-CB 4.14Å; A81-F116 HydrophobicContact CB-CD1 3.99Å; A81-F116 HydrophobicContact CB-CD2 3.99Å; A81-F116 HydrophobicContact CB-CE1 4.39Å; A81-F116 HydrophobicContact CB-CE2 4.39Å; A81-F116 HydrophobicContact CB-CG 3.77Å; L103-F116 CarbonylContact C-O 3.56Å; L103-F116 WeakPolarHBondContact CA-O 3.33Å; L104-F116 HydrophobicContact CB-CB 4.25Å; L104-F116 HydrophobicContact CD2-CD2 3.89Å; L104-F116 HydrophobicContact CD2-CE2 4.5Å; L104-F116 PolarHBondContact N-O 3.32Å; L104-F116 PolarHBondContact O-N 3.23Å; F116-L124 HydrophobicContact CB-CD1 3.79Å; F116-L124 HydrophobicContact CD1-CD1 3.99Å; F116-L124 HydrophobicContact CG-CD1 4.28Å; F116-A125 WeakPolarHBondContact CA-O 3.49Å; F116-K126 HydrophobicContact CD1-CB 4.01Å; F116-K126 HydrophobicContact CD1-CG 4.26Å; F116-K126 HydrophobicContact CE1-CB 3.92Å; F116-K126 HydrophobicContact CE1-CD 4.15Å; F116-K126 HydrophobicContact CE1-CG 3.98Å; F116-K126 HydrophobicContact CZ-CD 4.31Å; F116-K126 HydrophobicContact CZ-CG 4.42Å
117Y98.7Very high96.7Very high77 Ų7752.8 Ų52.830%0.30229%0.285SS..EExtended strand (participates in β ladder)trans-94.2135.3172.5177-85.6000109.7L103 D119 L124 A125 A130 H132L103-Y117 HydrophobicContact CD2-CD2 3.87Å; L103-Y117 HydrophobicContact CD2-CG 4.49Å; Y117-D119 HydrophobicContact CE1-CB 4.15Å; Y117-L124 WeakPolarHBondContact O-CA 3.34Å; Y117-A125 PolarHBondContact N-O 3.46Å; Y117-A125 PolarHBondContact O-N 2.97Å; Y117-A130 HydrophobicContact CD2-CB 3.93Å; Y117-A130 HydrophobicContact CG-CB 4.5Å; Y117-H132 AromaticContact CD2-CE1 3.58Å; Y117-H132 AromaticContact CD2-NE2 3.35Å; Y117-H132 WeakPolarHBondContact CD2-NE2 3.39Å; Y117-H132 AromaticContact CE1-CE1 3.85Å; Y117-H132 AromaticContact CE2-CD2 3.85Å; Y117-H132 AromaticContact CE2-CE1 2.96Å; Y117-H132 WeakPolarHBondContact CE2-CE1 3.41Å; Y117-H132 AromaticContact CE2-CG 3.94Å; Y117-H132 AromaticContact CE2-ND1 3.41Å; Y117-H132 WeakPolarHBondContact CE2-ND1 2.96Å; Y117-H132 AromaticContact CE2-NE2 3.24Å; Y117-H132 WeakPolarHBondContact CE2-NE2 3.24Å; Y117-H132 AromaticContact CZ-CE1 3.1Å; Y117-H132 AromaticContact CZ-ND1 3.68Å; Y117-H132 AromaticContact CZ-NE2 3.78Å; Y117-H132 PolarHBondContact OH-CE1 3.03Å; Y117-H132 VanDerWaalsContact OH-CE1 3.29Å; Y117-H132 PolarHBondContact OH-ND1 3.48Å
118M98.6Very high96.7Very high4 Ų454.8 Ų54.82%0.0230%0.3CS..EExtended strand (participates in β ladder)trans-137.7125.5173.7-167-179-53.800111.5A81 T84 R85 L88 L102 S123 L124 H132A81-M118 WeakPolarHBondContact O-CE 3.3Å; T84-M118 HydrophobicContact CG2-CE 3.99Å; T84-M118 HydrophobicContact CG2-SD 4.16Å; R85-M118 HydrophobicContact CB-CE 3.64Å; R85-M118 HydrophobicContact CB-SD 4.14Å; R85-M118 HydrophobicContact CG-CE 4.31Å; R85-M118 HydrophobicContact CG-SD 4.45Å; L88-M118 HydrophobicContact CB-SD 4.48Å; L88-M118 HydrophobicContact CD2-CG 4.21Å; L88-M118 HydrophobicContact CD2-SD 3.75Å; L102-M118 HydrophobicContact CB-CB 4.24Å; L102-M118 HydrophobicContact CD1-SD 3.97Å; L102-M118 PolarHBondContact N-O 2.79Å; L102-M118 PolarHBondContact O-N 3.03Å; M118-S123 VanDerWaalsContact CA-O 3.25Å; M118-S123 WeakPolarHBondContact CA-O 3.5Å; M118-S123 WeakPolarHBondContact CG-O 3.43Å; M118-L124 HydrophobicContact CE-CD1 3.97Å; M118-H132 PolarHBondContact O-CE1 3.03Å; M118-H132 VanDerWaalsContact O-CE1 3.31Å; M118-H132 PolarHBondContact O-NE2 3.2Å
119D98.1Very high96.9Very high30 Ų3054.9 Ų54.916%0.1630%0.299CS..  trans-87.6168.7173.679-37.1000111.6N101 Y117 M121 A122 S123N101-D119 WeakPolarHBondContact OD1-CA 3.35Å; Y117-D119 HydrophobicContact CE1-CB 4.15Å; D119-M121 PolarHBondContact O-N 3.17Å; D119-M121 VanDerWaalsContact O-N 3.1Å; D119-M121 WeakPolarHBondContact OD2-CB 3.26Å; D119-M121 PolarHBondContact OD2-N 2.98Å; D119-A122 WeakPolarHBondContact O-CA 3.2Å; D119-A122 PolarHBondContact O-N 2.87Å; D119-A122 PolarHBondContact OD1-N 2.93Å; D119-S123 PolarHBondContact N-O 3.28Å; D119-S123 WeakPolarHBondContact OD1-CA 3.43Å; D119-S123 WeakPolarHBondContact OD1-CB 3.49Å; D119-S123 PolarHBondContact OD1-N 3Å
120Y97.3Very high97.3Very high101 Ų10147.4 Ų47.440%0.39627%0.265SS..THydrogen-bonded Turntrans-63-14.3178.675.3-83.4000114.3H99 V100 N101 A122H99-Y120 AromaticContact CE1-CD2 3.76Å; H99-Y120 AromaticContact CE1-CG 3.92Å; H99-Y120 AromaticContact ND1-CD2 3.83Å; V100-Y120 WeakPolarHBondContact O-CA 3.48Å; V100-Y120 VanDerWaalsContact O-CB 3.32Å; V100-Y120 WeakPolarHBondContact O-CB 3.17Å; V100-Y120 PolarHBondContact O-N 3.24Å; N101-Y120 PolarHBondContact OD1-N 3.17Å; Y120-A122 VanDerWaalsContact C-N 3.25Å
121M97.6Very high97.6Very high110 Ų11042.8 Ų42.854%0.54223%0.233SC..THydrogen-bonded Turntrans-86.36.4171.1-54.3-16673.900113.3D119 S123D119-M121 PolarHBondContact O-N 3.17Å; D119-M121 VanDerWaalsContact O-N 3.1Å; D119-M121 WeakPolarHBondContact OD2-CB 3.26Å; D119-M121 PolarHBondContact OD2-N 2.98Å; M121-S123 VanDerWaalsContact C-N 3.29Å; M121-S123 PolarHBondContact O-N 3.42Å
122A97.3Very high98Very high6 Ų638 Ų385%0.0521%0.207CC..  trans61.730.6-178.600000114.4R85 L88 A89 D119 Y120R85-A122 WeakPolarHBondContact CD-O 3.32Å; R85-A122 HydrophobicContact CG-CB 4.29Å; R85-A122 WeakPolarHBondContact CG-O 3.37Å; L88-A122 HydrophobicContact CB-CB 3.86Å; L88-A122 HydrophobicContact CD2-CB 4.05Å; L88-A122 HydrophobicContact CG-CB 3.89Å; A89-A122 HydrophobicContact CB-CB 3.69Å; D119-A122 WeakPolarHBondContact O-CA 3.2Å; D119-A122 PolarHBondContact O-N 2.87Å; D119-A122 PolarHBondContact OD1-N 2.93Å; Y120-A122 VanDerWaalsContact C-N 3.25Å
123S98.1Very high98.1Very high75 Ų7537.9 Ų37.952%0.52421%0.206SC..  trans-75.7135.6163.5-169.30000109.1M118 D119 M121M118-S123 VanDerWaalsContact CA-O 3.25Å; M118-S123 WeakPolarHBondContact CA-O 3.5Å; M118-S123 WeakPolarHBondContact CG-O 3.43Å; D119-S123 PolarHBondContact N-O 3.28Å; D119-S123 WeakPolarHBondContact OD1-CA 3.43Å; D119-S123 WeakPolarHBondContact OD1-CB 3.49Å; D119-S123 PolarHBondContact OD1-N 3Å; M121-S123 VanDerWaalsContact C-N 3.29Å; M121-S123 PolarHBondContact O-N 3.42Å
124L98.4Very high98.1Very high43 Ų4343.8 Ų43.823%0.22523%0.228CC..EExtended strand (participates in β ladder)trans-120.8127.1-177.4173.865.4000109.7A81 R85 F116 Y117 M118A81-L124 HydrophobicContact CB-CD1 4.1Å; A81-L124 HydrophobicContact CB-CD2 4.12Å; R85-L124 HydrophobicContact CB-CD2 4.4Å; R85-L124 HydrophobicContact CG-CB 4.03Å; F116-L124 HydrophobicContact CB-CD1 3.79Å; F116-L124 HydrophobicContact CD1-CD1 3.99Å; F116-L124 HydrophobicContact CG-CD1 4.28Å; Y117-L124 WeakPolarHBondContact O-CA 3.34Å; M118-L124 HydrophobicContact CE-CD1 3.97Å
125A98.4Very high98Very high47 Ų4743.6 Ų43.639%0.38823%0.226SC..EExtended strand (participates in β ladder)trans-131.5132.217400000110.3F116 Y117F116-A125 WeakPolarHBondContact CA-O 3.49Å; Y117-A125 PolarHBondContact N-O 3.46Å; Y117-A125 PolarHBondContact O-N 2.97Å
126K98.1Very high98Very high122 Ų12244 Ų4453%0.5323%0.23SC..EExtended strand (participates in β ladder)trans-79.5129165.3-169.4177.9-177179.20107.7L115 F116L115-K126 WeakPolarHBondContact O-CA 3.14Å; F116-K126 HydrophobicContact CD1-CB 4.01Å; F116-K126 HydrophobicContact CD1-CG 4.26Å; F116-K126 HydrophobicContact CE1-CB 3.92Å; F116-K126 HydrophobicContact CE1-CD 4.15Å; F116-K126 HydrophobicContact CE1-CG 3.98Å; F116-K126 HydrophobicContact CZ-CD 4.31Å; F116-K126 HydrophobicContact CZ-CG 4.42Å
127A97.6Very high97.9Very high21 Ų2151.1 Ų51.117%0.17426%0.261CS..  trans-139.6144.6-175.700000111.4L115 F129 A130L115-A127 WeakPolarHBondContact CB-O 3.3Å; L115-A127 PolarHBondContact O-N 3.02Å; A127-F129 WeakPolarHBondContact CB-O 3.35Å; A127-F129 PolarHBondContact O-N 3.22Å; A127-A130 HydrophobicContact CB-CB 4.47Å
128P97.8Very high97.9Very high61 Ų6149.9 Ų49.940%0.39626%0.259SS..SBendtrans-67.1-25.3177.627.4-34.4000112.6Q8 Y147Q8-P128 WeakPolarHBondContact CA-O 3.5Å; Q8-P128 VanDerWaalsContact CB-O 3.25Å; Q8-P128 WeakPolarHBondContact CB-O 3.43Å; Q8-P128 PolarHBondContact N-O 3.3Å; P128-Y147 HydrophobicContact CB-CE1 3.76Å; P128-Y147 HydrophobicContact CB-CE2 4.47Å; P128-Y147 WeakPolarHBondContact CB-OH 3.42Å; P128-Y147 HydrophobicContact CG-CE1 4.44Å
129F98.5Very high97.8Very high32 Ų3249.7 Ų49.714%0.1426%0.258CS..EExtended strand (participates in β ladder)trans-154.3154.3170.151.7-94.5000108.1G6 A127 L140 L143 D144 Y147G6-F129 CarbonylContact O-C 3.52Å; G6-F129 WeakPolarHBondContact O-CA 3.36Å; G6-F129 WeakPolarHBondContact O-CB 3.43Å; A127-F129 WeakPolarHBondContact CB-O 3.35Å; A127-F129 PolarHBondContact O-N 3.22Å; F129-L140 HydrophobicContact CD2-CD2 4.34Å; F129-L143 HydrophobicContact CB-CD1 4.15Å; F129-L143 HydrophobicContact CD2-CB 3.64Å; F129-L143 HydrophobicContact CD2-CD1 3.81Å; F129-L143 HydrophobicContact CD2-CG 4.34Å; F129-L143 HydrophobicContact CE2-CB 3.82Å; F129-L143 HydrophobicContact CG-CB 4.03Å; F129-L143 HydrophobicContact CG-CD1 4.22Å; F129-L143 HydrophobicContact CZ-CB 4.36Å; F129-D144 WeakPolarHBondContact CE2-OD1 3.43Å; F129-D144 WeakPolarHBondContact CZ-OD1 3.46Å; F129-Y147 AromaticContact CD1-CD1 3.76Å; F129-Y147 HydrophobicContact CD1-CD1 3.76Å; F129-Y147 AromaticContact CD1-CD2 3.65Å; F129-Y147 HydrophobicContact CD1-CD2 3.65Å; F129-Y147 HydrophobicContact CD1-CE1 4.15Å; F129-Y147 HydrophobicContact CD1-CE2 4.04Å; F129-Y147 AromaticContact CD1-CG 3.49Å; F129-Y147 HydrophobicContact CD1-CG 3.49Å; F129-Y147 VanDerWaalsContact CD1-CG 3.49Å; F129-Y147 AromaticContact CE1-CD1 3.6Å; F129-Y147 HydrophobicContact CE1-CD1 3.6Å; F129-Y147 HydrophobicContact CE1-CD2 4.25Å; F129-Y147 HydrophobicContact CE1-CE1 4.23Å; F129-Y147 AromaticContact CE1-CG 3.61Å; F129-Y147 HydrophobicContact CE1-CG 3.61Å
130A98.5Very high97.9Very high5 Ų551.1 Ų51.14%0.04127%0.266CS..EExtended strand (participates in β ladder)trans-156.9154.4-178.700000110.7I5 G6 L103 L115 Y117 A127I5-A130 CarbonylContact C-O 3.6Å; I5-A130 WeakPolarHBondContact CA-O 3.46Å; G6-A130 PolarHBondContact N-O 3.47Å; G6-A130 PolarHBondContact O-N 3.17Å; L103-A130 HydrophobicContact CD2-CB 3.74Å; L115-A130 HydrophobicContact CD2-CB 4.22Å; Y117-A130 HydrophobicContact CD2-CB 3.93Å; Y117-A130 HydrophobicContact CG-CB 4.5Å; A127-A130 HydrophobicContact CB-CB 4.47Å
131A98.5Very high97.9Very high6 Ų649.8 Ų49.85%0.0527%0.271CS..EExtended strand (participates in β ladder)trans-144.914917600000111.3Y3 L4 I5 A136 L140Y3-A131 HydrophobicContact CE2-CB 4.28Å; L4-A131 CarbonylContact O-C 3.17Å; L4-A131 WeakPolarHBondContact O-CA 3.34Å; L4-A131 WeakPolarHBondContact O-CB 3.45Å; I5-A131 HydrophobicContact CB-CB 4.47Å; A131-A136 HydrophobicContact CB-CB 3.61Å; A131-L140 HydrophobicContact CB-CD2 4.09Å; A131-L140 HydrophobicContact CB-CG 4.29Å
132H98.5Very high97.9Very high8 Ų845.7 Ų45.74%0.03725%0.251CS..EExtended strand (participates in β ladder)trans-123159.1172.4-77.1-74000111.3Y3 L4 V47 L102 Y117 M118Y3-H132 WeakPolarHBondContact CA-O 3.4Å; Y3-H132 VanDerWaalsContact CD2-O 3.3Å; Y3-H132 WeakPolarHBondContact CD2-O 3.13Å; L4-H132 HydrophobicContact CB-CB 4.24Å; L4-H132 HydrophobicContact CD1-CB 4.42Å; L4-H132 HydrophobicContact CG-CB 4.48Å; L4-H132 PolarHBondContact N-O 3.28Å; L4-H132 VanDerWaalsContact N-O 3.17Å; L4-H132 PolarHBondContact O-N 3.44Å; V47-H132 HydrophobicContact CG2-CB 4.12Å; L102-H132 PolarHBondContact O-NE2 2.75Å; Y117-H132 AromaticContact CD2-CE1 3.58Å; Y117-H132 AromaticContact CD2-NE2 3.35Å; Y117-H132 WeakPolarHBondContact CD2-NE2 3.39Å; Y117-H132 AromaticContact CE1-CE1 3.85Å; Y117-H132 AromaticContact CE2-CD2 3.85Å; Y117-H132 AromaticContact CE2-CE1 2.96Å; Y117-H132 WeakPolarHBondContact CE2-CE1 3.41Å; Y117-H132 AromaticContact CE2-CG 3.94Å; Y117-H132 AromaticContact CE2-ND1 3.41Å; Y117-H132 WeakPolarHBondContact CE2-ND1 2.96Å; Y117-H132 AromaticContact CE2-NE2 3.24Å; Y117-H132 WeakPolarHBondContact CE2-NE2 3.24Å; Y117-H132 AromaticContact CZ-CE1 3.1Å; Y117-H132 AromaticContact CZ-ND1 3.68Å; Y117-H132 AromaticContact CZ-NE2 3.78Å; Y117-H132 PolarHBondContact OH-CE1 3.03Å; Y117-H132 VanDerWaalsContact OH-CE1 3.29Å; Y117-H132 PolarHBondContact OH-ND1 3.48Å; M118-H132 PolarHBondContact O-CE1 3.03Å; M118-H132 VanDerWaalsContact O-CE1 3.31Å; M118-H132 PolarHBondContact O-NE2 3.2Å
133G97Very high98Very high17 Ų1745.4 Ų45.418%0.17525%0.249CC..SBendtrans86.2171.9-176.900000112.7E2 G135 A136E2-G133 WeakPolarHBondContact O-CA 3.16Å; G133-G135 PolarHBondContact O-N 2.75Å; G133-A136 WeakPolarHBondContact O-CB 2.94Å; G133-A136 PolarHBondContact O-N 2.89Å
134Y97.5Very high98Very high136 Ų13647.3 Ų47.353%0.53325%0.253SS..THydrogen-bonded Turntrans-63.7-24-176.5-64-31.3000113.8M1 A136 F137M1-Y134 HydrophobicContact CB-CD2 4.07Å; M1-Y134 HydrophobicContact CB-CE2 4.35Å; M1-Y134 HydrophobicContact CE-CE1 4.49Å; M1-Y134 HydrophobicContact CG-CD2 3.72Å; M1-Y134 HydrophobicContact CG-CE2 4.02Å; M1-Y134 HydrophobicContact CG-CG 4.08Å; M1-Y134 HydrophobicContact SD-CE2 4.45Å; Y134-A136 PolarHBondContact O-N 3.07Å; Y134-F137 HydrophobicContact CD1-CD2 4.45Å; Y134-F137 AromaticContact CD1-CE2 4Å; Y134-F137 HydrophobicContact CD1-CE2 4Å; Y134-F137 WeakPolarHBondContact O-CD2 3.47Å; Y134-F137 PolarHBondContact O-N 2.83Å
135G96.3Very high98Very high0 Ų053.4 Ų53.40%027%0.273CS..THydrogen-bonded Turntrans-60.6-26.5172.800000113.2G133 F137 L138 T139 L167G133-G135 PolarHBondContact O-N 2.75Å; G135-F137 PolarHBondContact O-N 3.3Å; G135-L138 PolarHBondContact O-N 3.07Å; G135-T139 PolarHBondContact O-N 2.74Å; G135-T139 VanDerWaalsContact O-N 3.14Å; G135-T139 PolarHBondContact O-OG1 2.89Å; G135-T139 VanDerWaalsContact O-OG1 3.08Å; G135-L167 VanDerWaalsContact CA-CD2 3.46Å
136A97.6Very high98Very high9 Ų956.8 Ų56.87%0.07428%0.276CS..Hα-helixtrans-59.2-34.6-179.900000112.2A131 G133 Y134 L138 T139 L140A131-A136 HydrophobicContact CB-CB 3.61Å; G133-A136 WeakPolarHBondContact O-CB 2.94Å; G133-A136 PolarHBondContact O-N 2.89Å; Y134-A136 PolarHBondContact O-N 3.07Å; A136-L138 PolarHBondContact O-N 3.14Å; A136-T139 PolarHBondContact O-N 2.78Å; A136-L140 HydrophobicContact CB-CD1 4.03Å; A136-L140 HydrophobicContact CB-CG 4.32Å; A136-L140 VanDerWaalsContact O-CB 3.3Å; A136-L140 WeakPolarHBondContact O-CB 3.25Å; A136-L140 WeakPolarHBondContact O-CD1 3.03Å; A136-L140 WeakPolarHBondContact O-CG 3.4Å; A136-L140 PolarHBondContact O-N 2.97Å
137F97.8Very high98Very high164 Ų16453 Ų5372%0.71926%0.259SS*.Hα-helixtrans-63.4-25.3177.8-64.5-63.7000113.5Y134 G135Y134-F137 HydrophobicContact CD1-CD2 4.45Å; Y134-F137 AromaticContact CD1-CE2 4Å; Y134-F137 HydrophobicContact CD1-CE2 4Å; Y134-F137 WeakPolarHBondContact O-CD2 3.47Å; Y134-F137 PolarHBondContact O-N 2.83Å; G135-F137 PolarHBondContact O-N 3.3Å
138L97.6Very high97.9Very high51 Ų5157.2 Ų57.227%0.26727%0.271SS..Hα-helixtrans-94.2-29.7179.8-60.5178000112.1G135 A136 L167 R170 F171G135-L138 PolarHBondContact O-N 3.07Å; A136-L138 PolarHBondContact O-N 3.14Å; L138-L167 HydrophobicContact CB-CD2 4.34Å; L138-L167 HydrophobicContact CD1-CD2 4.23Å; L138-R170 HydrophobicContact CD1-CB 4.24Å; L138-F171 HydrophobicContact CD1-CB 3.92Å; L138-F171 HydrophobicContact CD1-CD2 4.06Å; L138-F171 HydrophobicContact CD1-CG 4.37Å
139T98.1Very high97.8Very high0 Ų059 Ų590%028%0.282CS..Hα-helixtrans-101.6-26.6-169.457.20000114.1Y3 G135 A136 S141 I142 L143 C163 L167Y3-T139 WeakPolarHBondContact OH-CB 3.48Å; Y3-T139 WeakPolarHBondContact OH-CG2 3.18Å; Y3-T139 PolarHBondContact OH-OG1 2.75Å; G135-T139 PolarHBondContact O-N 2.74Å; G135-T139 VanDerWaalsContact O-N 3.14Å; G135-T139 PolarHBondContact O-OG1 2.89Å; G135-T139 VanDerWaalsContact O-OG1 3.08Å; A136-T139 PolarHBondContact O-N 2.78Å; T139-S141 VanDerWaalsContact C-N 3.3Å; T139-S141 PolarHBondContact O-N 2.89Å; T139-I142 WeakPolarHBondContact O-CB 3.33Å; T139-I142 PolarHBondContact O-N 3.31Å; T139-L143 PolarHBondContact O-N 2.93Å; T139-C163 HydrophobicContact CG2-CB 3.7Å; T139-C163 WeakPolarHBondContact CG2-O 3.05Å; T139-L167 HydrophobicContact CG2-CD1 4.26Å; T139-L167 HydrophobicContact CG2-CD2 3.85Å; T139-L167 HydrophobicContact CG2-CG 3.83Å
140L98.5Very high97.7Very high60 Ų6062.8 Ų62.831%0.31430%0.304SS..Hα-helixtrans-59.7-39.7179.4-75.7169.9000112.2F129 A131 A136 I142 L143 D144F129-L140 HydrophobicContact CD2-CD2 4.34Å; A131-L140 HydrophobicContact CB-CD2 4.09Å; A131-L140 HydrophobicContact CB-CG 4.29Å; A136-L140 HydrophobicContact CB-CD1 4.03Å; A136-L140 HydrophobicContact CB-CG 4.32Å; A136-L140 VanDerWaalsContact O-CB 3.3Å; A136-L140 WeakPolarHBondContact O-CB 3.25Å; A136-L140 WeakPolarHBondContact O-CD1 3.03Å; A136-L140 WeakPolarHBondContact O-CG 3.4Å; A136-L140 PolarHBondContact O-N 2.97Å; L140-I142 VanDerWaalsContact C-N 3.29Å; L140-I142 PolarHBondContact O-N 2.84Å; L140-L143 HydrophobicContact CD2-CD1 4.33Å; L140-L143 WeakPolarHBondContact O-CB 3.37Å; L140-L143 PolarHBondContact O-N 3.39Å; L140-L143 VanDerWaalsContact O-N 3.16Å; L140-D144 PolarHBondContact O-N 3.07Å
141S98.3Very high97.5Very high72 Ų7262.8 Ų62.850%0.50330%0.303SS..Hα-helixtrans-68-27.6176.9620000113.5T139 R145T139-S141 VanDerWaalsContact C-N 3.3Å; T139-S141 PolarHBondContact O-N 2.89Å; S141-R145 WeakPolarHBondContact O-CB 3.35Å; S141-R145 PolarHBondContact O-N 3.11Å; S141-R145 VanDerWaalsContact O-N 3.09Å
142I98.4Very high97.5Very high25 Ų2564.9 Ų64.913%0.12832%0.317CS..Hα-helixtrans-70.7-43172.3-61.7176000109.4T139 L140 R145 Y146 L159 K162 E166T139-I142 WeakPolarHBondContact O-CB 3.33Å; T139-I142 PolarHBondContact O-N 3.31Å; L140-I142 VanDerWaalsContact C-N 3.29Å; L140-I142 PolarHBondContact O-N 2.84Å; I142-R145 PolarHBondContact O-N 2.74Å; I142-Y146 HydrophobicContact CG2-CD2 3.86Å; I142-Y146 HydrophobicContact CG2-CE2 4.22Å; I142-Y146 VanDerWaalsContact O-CD2 3.3Å; I142-Y146 WeakPolarHBondContact O-CD2 3.44Å; I142-Y146 PolarHBondContact O-N 3.39Å; I142-Y146 VanDerWaalsContact O-N 3.16Å; I142-L159 HydrophobicContact CG2-CD1 4.14Å; I142-K162 HydrophobicContact CG2-CB 4.37Å; I142-E166 HydrophobicContact CD1-CB 3.52Å; I142-E166 HydrophobicContact CD1-CG 3.71Å
143L98.3Very high97.4Very high0 Ų068.8 Ų68.80%033%0.332CS..Hα-helixtrans-60.8-50174.4-63.8170.7000110.3I5 I7 F129 T139 L140 R145 Y146 Y147 L159I5-L143 HydrophobicContact CD1-CD1 3.84Å; I5-L143 HydrophobicContact CD1-CD2 4.27Å; I5-L143 HydrophobicContact CD1-CG 4.43Å; I5-L143 HydrophobicContact CG1-CD1 4.25Å; I7-L143 HydrophobicContact CD1-CD2 3.7Å; I7-L143 HydrophobicContact CG1-CD2 3.96Å; F129-L143 HydrophobicContact CB-CD1 4.15Å; F129-L143 HydrophobicContact CD2-CB 3.64Å; F129-L143 HydrophobicContact CD2-CD1 3.81Å; F129-L143 HydrophobicContact CD2-CG 4.34Å; F129-L143 HydrophobicContact CE2-CB 3.82Å; F129-L143 HydrophobicContact CG-CB 4.03Å; F129-L143 HydrophobicContact CG-CD1 4.22Å; F129-L143 HydrophobicContact CZ-CB 4.36Å; T139-L143 PolarHBondContact O-N 2.93Å; L140-L143 HydrophobicContact CD2-CD1 4.33Å; L140-L143 WeakPolarHBondContact O-CB 3.37Å; L140-L143 PolarHBondContact O-N 3.39Å; L140-L143 VanDerWaalsContact O-N 3.16Å; L143-R145 PolarHBondContact O-N 2.68Å; L143-R145 VanDerWaalsContact O-N 3.14Å; L143-Y146 PolarHBondContact O-N 3.45Å; L143-Y147 WeakPolarHBondContact O-CA 3.37Å; L143-Y147 WeakPolarHBondContact O-CB 3.41Å; L143-Y147 PolarHBondContact O-N 2.92Å; L143-L159 HydrophobicContact CD2-CD1 4.39Å; L143-L159 HydrophobicContact CD2-CD2 3.9Å; L143-L159 HydrophobicContact CD2-CG 3.92Å
144D98.3Very high97.3Very high114 Ų11473.1 Ų73.161%0.6135%0.354SS*.Hα-helixtrans-54-36.7175.7-73.4-35.7000112.6F129 L140F129-D144 WeakPolarHBondContact CE2-OD1 3.43Å; F129-D144 WeakPolarHBondContact CZ-OD1 3.46Å; L140-D144 PolarHBondContact O-N 3.07Å
145R98.3Very high97.3Very high172 Ų17270.1 Ų70.165%0.64935%0.345SS*.Hα-helixtrans-74.3-36.6-176.3178.761.1-172.896.4-5.4114S141 I142 L143S141-R145 WeakPolarHBondContact O-CB 3.35Å; S141-R145 PolarHBondContact O-N 3.11Å; S141-R145 VanDerWaalsContact O-N 3.09Å; I142-R145 PolarHBondContact O-N 2.74Å; L143-R145 PolarHBondContact O-N 2.68Å; L143-R145 VanDerWaalsContact O-N 3.14Å
146Y98Very high97.3Very high118 Ų11870.1 Ų70.146%0.46335%0.345SS..Hα-helixtrans-119.7-14.4-166.8-65.5-69.4000114.2I142 L143 L159I142-Y146 HydrophobicContact CG2-CD2 3.86Å; I142-Y146 HydrophobicContact CG2-CE2 4.22Å; I142-Y146 VanDerWaalsContact O-CD2 3.3Å; I142-Y146 WeakPolarHBondContact O-CD2 3.44Å; I142-Y146 PolarHBondContact O-N 3.39Å; I142-Y146 VanDerWaalsContact O-N 3.16Å; L143-Y146 PolarHBondContact O-N 3.45Å; Y146-L159 HydrophobicContact CD2-CD1 4.31Å; Y146-L159 HydrophobicContact CG-CD1 4.36Å
147Y98.3Very high97.3Very high42 Ų4271 Ų7117%0.16535%0.35CS..  trans-62.7138.6178.4178-94.9000111.4I7 Q8 P128 F129 L143 P149 L151I7-Y147 HydrophobicContact CG2-CD2 4.04Å; I7-Y147 HydrophobicContact CG2-CE2 4Å; Q8-Y147 VanDerWaalsContact O-CE2 3.27Å; Q8-Y147 WeakPolarHBondContact O-CE2 3.22Å; Q8-Y147 PolarHBondContact O-OH 3.37Å; P128-Y147 HydrophobicContact CB-CE1 3.76Å; P128-Y147 HydrophobicContact CB-CE2 4.47Å; P128-Y147 WeakPolarHBondContact CB-OH 3.42Å; P128-Y147 HydrophobicContact CG-CE1 4.44Å; F129-Y147 AromaticContact CD1-CD1 3.76Å; F129-Y147 HydrophobicContact CD1-CD1 3.76Å; F129-Y147 AromaticContact CD1-CD2 3.65Å; F129-Y147 HydrophobicContact CD1-CD2 3.65Å; F129-Y147 HydrophobicContact CD1-CE1 4.15Å; F129-Y147 HydrophobicContact CD1-CE2 4.04Å; F129-Y147 AromaticContact CD1-CG 3.49Å; F129-Y147 HydrophobicContact CD1-CG 3.49Å; F129-Y147 VanDerWaalsContact CD1-CG 3.49Å; F129-Y147 AromaticContact CE1-CD1 3.6Å; F129-Y147 HydrophobicContact CE1-CD1 3.6Å; F129-Y147 HydrophobicContact CE1-CD2 4.25Å; F129-Y147 HydrophobicContact CE1-CE1 4.23Å; F129-Y147 AromaticContact CE1-CG 3.61Å; F129-Y147 HydrophobicContact CE1-CG 3.61Å; L143-Y147 WeakPolarHBondContact O-CA 3.37Å; L143-Y147 WeakPolarHBondContact O-CB 3.41Å; L143-Y147 PolarHBondContact O-N 2.92Å; Y147-P149 HydrophobicContact CE1-CG 4.34Å; Y147-L151 HydrophobicContact CD2-CD1 3.64Å; Y147-L151 HydrophobicContact CE2-CD1 4.07Å; Y147-L151 HydrophobicContact CG-CD1 4.32Å
148R96.8Very high97.3Very high110 Ų11067.2 Ų67.242%0.41533%0.334SS..  trans-136.9144.5167.4-54.9-172.8-58.4-93.1-0.5109.3D150 L151 E155R148-D150 WeakPolarHBondContact CB-OD1 3.37Å; R148-D150 IonicContact NE-OD1 3.56Å; R148-D150 PolarHBondContact O-N 2.91Å; R148-D150 VanDerWaalsContact O-N 3.15Å; R148-L151 HydrophobicContact CB-CG 4.29Å; R148-L151 WeakPolarHBondContact O-CB 3.31Å; R148-L151 WeakPolarHBondContact O-CD1 3.33Å; R148-L151 WeakPolarHBondContact O-CG 3.45Å; R148-L151 PolarHBondContact O-N 3.32Å; R148-E155 IonicContact CZ-OE1 3.89Å; R148-E155 IonicContact NH2-OE1 2.68Å; R148-E155 PolarHBondContact NH2-OE1 2.84Å; R148-E155 IonicContact NH2-OE2 3.47Å
149P95.3Very high97.3Very high98 Ų9865.1 Ų65.164%0.63632%0.323SS*.THydrogen-bonded Turntrans-60.6-23179.3-24.935.1000114.5Y147Y147-P149 HydrophobicContact CE1-CG 4.34Å
150D96.2Very high97.3Very high112 Ų11265.1 Ų65.160%0.59932%0.323SS*.THydrogen-bonded Turntrans-97.716.6-178.567.3-23.4000113.5R148 S152R148-D150 WeakPolarHBondContact CB-OD1 3.37Å; R148-D150 IonicContact NE-OD1 3.56Å; R148-D150 PolarHBondContact O-N 2.91Å; R148-D150 VanDerWaalsContact O-N 3.15Å; D150-S152 PolarHBondContact O-N 3.16Å
151L95.1Very high97.2Very high4 Ų467.4 Ų67.42%0.02133%0.328CS..  trans-55.2129.9178.1-84.6167.7000111.5P10 Y12 Y147 R148 E155 L159P10-L151 WeakPolarHBondContact CD-O 3.26Å; Y12-L151 PolarHBondContact OH-O 2.86Å; Y12-L151 VanDerWaalsContact OH-O 3.07Å; Y147-L151 HydrophobicContact CD2-CD1 3.64Å; Y147-L151 HydrophobicContact CE2-CD1 4.07Å; Y147-L151 HydrophobicContact CG-CD1 4.32Å; R148-L151 HydrophobicContact CB-CG 4.29Å; R148-L151 WeakPolarHBondContact O-CB 3.31Å; R148-L151 WeakPolarHBondContact O-CD1 3.33Å; R148-L151 WeakPolarHBondContact O-CG 3.45Å; R148-L151 PolarHBondContact O-N 3.32Å; L151-E155 HydrophobicContact CD2-CB 3.54Å; L151-L159 HydrophobicContact CD1-CD2 3.98Å
152S97.1Very high97.1Very high51 Ų5168.6 Ų68.636%0.35732%0.324SS..  trans-73.8157.2168.665.80000111.3Y12 D150 V154 E155 A156Y12-S152 PolarHBondContact OH-O 3.42Å; D150-S152 PolarHBondContact O-N 3.16Å; S152-V154 PolarHBondContact O-N 2.92Å; S152-V154 VanDerWaalsContact O-N 3.16Å; S152-E155 WeakPolarHBondContact CB-OE2 3.38Å; S152-E155 PolarHBondContact N-OE2 3.43Å; S152-E155 PolarHBondContact O-N 3.04Å; S152-E155 VanDerWaalsContact OG-CG 3.22Å; S152-E155 WeakPolarHBondContact OG-CG 3.25Å; S152-E155 PolarHBondContact OG-N 2.94Å; S152-E155 PolarHBondContact OG-OE2 2.97Å; S152-A156 PolarHBondContact O-N 2.73Å
153R96.3Very high97.1Very high90 Ų9067.4 Ų67.434%0.3432%0.318SS..Hα-helixtrans-51.3-41.5177.9-61.7178.9-172.2-156.1-2.4112.2D11 Y12 V157 L182 D184D11-R153 IonicContact OD2-CZ 3.69Å; D11-R153 IonicContact OD2-NE 3.94Å; D11-R153 IonicContact OD2-NH2 3.54Å; D11-R153 PolarHBondContact OD2-NH2 3.31Å; Y12-R153 HydrophobicContact CD1-CG 3.49Å; Y12-R153 VanDerWaalsContact CD1-CG 3.49Å; Y12-R153 HydrophobicContact CD2-CG 4.4Å; Y12-R153 HydrophobicContact CE1-CB 4.26Å; Y12-R153 HydrophobicContact CE1-CG 3.47Å; Y12-R153 VanDerWaalsContact CE1-CG 3.47Å; Y12-R153 HydrophobicContact CE2-CG 4.39Å; Y12-R153 HydrophobicContact CG-CG 3.99Å; Y12-R153 WeakPolarHBondContact OH-CA 3.34Å; Y12-R153 PolarHBondContact OH-N 3.28Å; R153-V157 WeakPolarHBondContact O-CG2 3.47Å; R153-V157 PolarHBondContact O-N 3.18Å; R153-V157 VanDerWaalsContact O-N 3.14Å; R153-L182 HydrophobicContact CB-CD1 4.27Å; R153-L182 HydrophobicContact CG-CD1 4.04Å; R153-D184 IonicContact CZ-OD2 2.76Å; R153-D184 VanDerWaalsContact CZ-OD2 3.23Å; R153-D184 IonicContact NH1-OD2 2.83Å; R153-D184 PolarHBondContact NH1-OD2 2.9Å; R153-D184 IonicContact NH2-OD2 3.75Å; R153-D184 PolarHBondContact NH2-OD2 2.9Å
154V96Very high97Very high107 Ų10767.5 Ų67.565%0.64832%0.318SS*.Hα-helixtrans-67.4-46.9179.1-178.70000111.1S152 A156 V157 E158S152-V154 PolarHBondContact O-N 2.92Å; S152-V154 VanDerWaalsContact O-N 3.16Å; V154-A156 VanDerWaalsContact C-N 3.3Å; V154-A156 PolarHBondContact O-N 3.49Å; V154-V157 PolarHBondContact O-N 3.29Å; V154-E158 PolarHBondContact O-N 3.49Å
155E96.9Very high96.8Very high74 Ų7466.9 Ų66.935%0.34631%0.312SS..Hα-helixtrans-64.3-35.1178.2-69.8170.4119.100112.3R148 L151 S152 E158 L159R148-E155 IonicContact CZ-OE1 3.89Å; R148-E155 IonicContact NH2-OE1 2.68Å; R148-E155 PolarHBondContact NH2-OE1 2.84Å; R148-E155 IonicContact NH2-OE2 3.47Å; L151-E155 HydrophobicContact CD2-CB 3.54Å; S152-E155 WeakPolarHBondContact CB-OE2 3.38Å; S152-E155 PolarHBondContact N-OE2 3.43Å; S152-E155 PolarHBondContact O-N 3.04Å; S152-E155 VanDerWaalsContact OG-CG 3.22Å; S152-E155 WeakPolarHBondContact OG-CG 3.25Å; S152-E155 PolarHBondContact OG-N 2.94Å; S152-E155 PolarHBondContact OG-OE2 2.97Å; E155-E158 PolarHBondContact O-N 3.39Å; E155-L159 WeakPolarHBondContact O-CB 3.45Å; E155-L159 PolarHBondContact O-N 3.19Å
156A97.4Very high96.7Very high0 Ų060.8 Ų60.80%029%0.291CS..Hα-helixtrans-67.7-37.3175.500000112.7I7 Y12 L14 S152 V154 L159 L160I7-A156 HydrophobicContact CG2-CB 4.45Å; Y12-A156 HydrophobicContact CE2-CB 3.94Å; Y12-A156 WeakPolarHBondContact OH-CB 3.37Å; L14-A156 HydrophobicContact CD2-CB 4.07Å; S152-A156 PolarHBondContact O-N 2.73Å; V154-A156 VanDerWaalsContact C-N 3.3Å; V154-A156 PolarHBondContact O-N 3.49Å; A156-L159 PolarHBondContact O-N 3.24Å; A156-L160 WeakPolarHBondContact O-CB 3.34Å; A156-L160 PolarHBondContact O-N 3.21Å
157V97.1Very high96.6Very high28 Ų2855.4 Ų55.417%0.1727%0.27CS..Hα-helixtrans-64.9-41172.9171.80000110.7L14 R153 V154 L160 R161 M191L14-V157 HydrophobicContact CD1-CG2 4.3Å; L14-V157 HydrophobicContact CD2-CG2 4Å; R153-V157 WeakPolarHBondContact O-CG2 3.47Å; R153-V157 PolarHBondContact O-N 3.18Å; R153-V157 VanDerWaalsContact O-N 3.14Å; V154-V157 PolarHBondContact O-N 3.29Å; V157-L160 WeakPolarHBondContact O-CB 3.12Å; V157-L160 PolarHBondContact O-N 2.92Å; V157-R161 WeakPolarHBondContact O-CB 3.36Å; V157-R161 PolarHBondContact O-N 3.2Å; V157-M191 HydrophobicContact CG2-CE 4.23Å
158E97Very high96.4Very high83 Ų8355.7 Ų55.739%0.38827%0.274SS..Hα-helixtrans-68.1-35.9175.8-72.1-57.5116.400112.7V154 E155 R161 K162V154-E158 PolarHBondContact O-N 3.49Å; E155-E158 PolarHBondContact O-N 3.39Å; E158-R161 WeakPolarHBondContact O-CB 3.29Å; E158-R161 PolarHBondContact O-N 3.36Å; E158-R161 IonicContact OE1-CZ 2.69Å; E158-R161 IonicContact OE1-NE 3.57Å; E158-R161 PolarHBondContact OE1-NE 2.89Å; E158-R161 VanDerWaalsContact OE1-NE 3.13Å; E158-R161 IonicContact OE1-NH2 3.02Å; E158-R161 IonicContact OE2-NE 2.67Å; E158-K162 WeakPolarHBondContact O-CG 3.31Å; E158-K162 PolarHBondContact O-N 2.88Å
159L97.8Very high96.2Very high7 Ų757.2 Ų57.24%0.03728%0.284CS..Hα-helixtrans-63.7-44.5171.4178.554.5000111.3I7 I142 L143 Y146 L151 E155 A156 R161 K162 C163I7-L159 HydrophobicContact CD1-CD2 4.4Å; I7-L159 HydrophobicContact CD1-CG 4.32Å; I142-L159 HydrophobicContact CG2-CD1 4.14Å; L143-L159 HydrophobicContact CD2-CD1 4.39Å; L143-L159 HydrophobicContact CD2-CD2 3.9Å; L143-L159 HydrophobicContact CD2-CG 3.92Å; Y146-L159 HydrophobicContact CD2-CD1 4.31Å; Y146-L159 HydrophobicContact CG-CD1 4.36Å; L151-L159 HydrophobicContact CD1-CD2 3.98Å; E155-L159 WeakPolarHBondContact O-CB 3.45Å; E155-L159 PolarHBondContact O-N 3.19Å; A156-L159 PolarHBondContact O-N 3.24Å; L159-R161 VanDerWaalsContact C-N 3.31Å; L159-R161 PolarHBondContact O-N 3.43Å; L159-K162 WeakPolarHBondContact O-CB 3.44Å; L159-K162 PolarHBondContact O-N 3.34Å; L159-C163 PolarHBondContact O-N 2.94Å; L159-C163 VanDerWaalsContact O-N 3.13Å; L159-C163 PolarHBondContact O-SG 3.41Å
160L97.8Very high96.2Very high1 Ų160.8 Ų60.81%0.00529%0.285CS..Hα-helixtrans-59.1-43174174.563.3000111.2I5 I7 L14 A16 A156 V157 K162 C163 V164 V180 I194I5-L160 HydrophobicContact CD1-CD1 4.02Å; I5-L160 HydrophobicContact CG1-CD1 4.45Å; I5-L160 HydrophobicContact CG2-CD1 3.5Å; I7-L160 HydrophobicContact CD1-CB 4.23Å; L14-L160 HydrophobicContact CD2-CB 4.19Å; L14-L160 HydrophobicContact CD2-CD2 3.95Å; L14-L160 HydrophobicContact CG-CD2 4.36Å; A16-L160 HydrophobicContact CB-CD1 3.97Å; A16-L160 HydrophobicContact CB-CD2 3.78Å; A16-L160 HydrophobicContact CB-CG 4.49Å; A156-L160 WeakPolarHBondContact O-CB 3.34Å; A156-L160 PolarHBondContact O-N 3.21Å; V157-L160 WeakPolarHBondContact O-CB 3.12Å; V157-L160 PolarHBondContact O-N 2.92Å; L160-K162 VanDerWaalsContact C-N 3.34Å; L160-K162 PolarHBondContact O-N 2.85Å; L160-C163 WeakPolarHBondContact O-CB 3.38Å; L160-C163 PolarHBondContact O-N 2.77Å; L160-C163 VanDerWaalsContact O-N 3.14Å; L160-V164 HydrophobicContact CD1-CG2 4.25Å; L160-V164 WeakPolarHBondContact O-CG2 2.85Å; L160-V164 PolarHBondContact O-N 2.97Å; L160-V180 HydrophobicContact CD2-CG1 3.92Å; L160-V180 HydrophobicContact CD2-CG2 4.01Å; L160-I194 HydrophobicContact CD2-CD1 3.68Å; L160-I194 HydrophobicContact CG-CD1 3.83Å
161R96.8Very high96.2Very high107 Ų10756.9 Ų56.940%0.40426%0.262SS..Hα-helixtrans-58-44.4176.2-169.7-171.2-67.7-97.7-3.2111.3V157 E158 L159 C163 V164 E165V157-R161 WeakPolarHBondContact O-CB 3.36Å; V157-R161 PolarHBondContact O-N 3.2Å; E158-R161 WeakPolarHBondContact O-CB 3.29Å; E158-R161 PolarHBondContact O-N 3.36Å; E158-R161 IonicContact OE1-CZ 2.69Å; E158-R161 IonicContact OE1-NE 3.57Å; E158-R161 PolarHBondContact OE1-NE 2.89Å; E158-R161 VanDerWaalsContact OE1-NE 3.13Å; E158-R161 IonicContact OE1-NH2 3.02Å; E158-R161 IonicContact OE2-NE 2.67Å; L159-R161 VanDerWaalsContact C-N 3.31Å; L159-R161 PolarHBondContact O-N 3.43Å; R161-C163 VanDerWaalsContact C-N 3.33Å; R161-C163 PolarHBondContact O-N 3.46Å; R161-V164 PolarHBondContact O-N 3.41Å; R161-E165 WeakPolarHBondContact O-CB 3.01Å; R161-E165 WeakPolarHBondContact O-CG 3.36Å; R161-E165 PolarHBondContact O-N 3.35Å
162K96.9Very high96.2Very high98 Ų9864.1 Ų64.143%0.42630%0.3SS..Hα-helixtrans-58.6-42.1174.7-69.1173.6-171.6-58.10112.6I142 E158 L159 L160 E166I142-K162 HydrophobicContact CG2-CB 4.37Å; E158-K162 WeakPolarHBondContact O-CG 3.31Å; E158-K162 PolarHBondContact O-N 2.88Å; L159-K162 WeakPolarHBondContact O-CB 3.44Å; L159-K162 PolarHBondContact O-N 3.34Å; L160-K162 VanDerWaalsContact C-N 3.34Å; L160-K162 PolarHBondContact O-N 2.85Å; K162-E166 PolarHBondContact O-N 3.42Å; K162-E166 VanDerWaalsContact O-N 3.09Å
163C97.8Very high96Very high0 Ų065.1 Ų65.10%030%0.3CS..Hα-helixtrans-62.7-44.9175.8-66.80000111.4I5 T139 L159 L160 R161 E166 L167I5-C163 HydrophobicContact CD1-CB 4.1Å; T139-C163 HydrophobicContact CG2-CB 3.7Å; T139-C163 WeakPolarHBondContact CG2-O 3.05Å; L159-C163 PolarHBondContact O-N 2.94Å; L159-C163 VanDerWaalsContact O-N 3.13Å; L159-C163 PolarHBondContact O-SG 3.41Å; L160-C163 WeakPolarHBondContact O-CB 3.38Å; L160-C163 PolarHBondContact O-N 2.77Å; L160-C163 VanDerWaalsContact O-N 3.14Å; R161-C163 VanDerWaalsContact C-N 3.33Å; R161-C163 PolarHBondContact O-N 3.46Å; C163-E166 PolarHBondContact O-N 2.89Å; C163-L167 WeakPolarHBondContact O-CG 3.24Å; C163-L167 PolarHBondContact O-N 2.89Å; C163-L167 VanDerWaalsContact O-N 3.12Å
164V95.7Very high95.7Very high1 Ų165.6 Ų65.61%0.00631%0.31CS..Hα-helixtrans-67-38.3-179.9172.10000111.8L160 R161 L167 N168 F178 I194 L196L160-V164 HydrophobicContact CD1-CG2 4.25Å; L160-V164 WeakPolarHBondContact O-CG2 2.85Å; L160-V164 PolarHBondContact O-N 2.97Å; R161-V164 PolarHBondContact O-N 3.41Å; V164-L167 WeakPolarHBondContact O-CB 3.49Å; V164-L167 PolarHBondContact O-N 3.1Å; V164-N168 PolarHBondContact O-N 2.99Å; V164-F178 HydrophobicContact CB-CD2 4.47Å; V164-F178 HydrophobicContact CB-CE2 4.37Å; V164-F178 HydrophobicContact CG1-CD2 3.57Å; V164-F178 HydrophobicContact CG1-CE2 3.43Å; V164-F178 VanDerWaalsContact CG1-CE2 3.43Å; V164-F178 HydrophobicContact CG1-CZ 4.28Å; V164-F178 HydrophobicContact CG2-CD2 3.99Å; V164-F178 HydrophobicContact CG2-CE2 4.15Å; V164-F178 HydrophobicContact CG2-CG 4.2Å; V164-F178 HydrophobicContact CG2-CZ 4.45Å; V164-I194 HydrophobicContact CB-CG2 4.39Å; V164-I194 HydrophobicContact CG1-CG2 3.85Å; V164-L196 HydrophobicContact CG1-CD1 3.54Å; V164-L196 HydrophobicContact CG1-CD2 3.88Å; V164-L196 HydrophobicContact CG1-CG 3.73Å
165E95.2Very high95.6Very high101 Ų10161.1 Ų61.147%0.47228%0.282SS..Hα-helixtrans-62.3-40.2172.9-75.3173-173.500112.4R161 L167 N168 K169R161-E165 WeakPolarHBondContact O-CB 3.01Å; R161-E165 WeakPolarHBondContact O-CG 3.36Å; R161-E165 PolarHBondContact O-N 3.35Å; E165-L167 VanDerWaalsContact C-N 3.33Å; E165-L167 PolarHBondContact O-N 2.95Å; E165-N168 WeakPolarHBondContact O-CB 3.42Å; E165-N168 PolarHBondContact O-N 3.43Å; E165-K169 WeakPolarHBondContact O-CB 3.22Å; E165-K169 PolarHBondContact O-N 3.39Å
166E95.9Very high95.3Very high44 Ų4459.4 Ų59.421%0.20628%0.277CS..Hα-helixtrans-65.1-39176.1-173.167.3-17600111.5I142 K162 C163 K169 R170I142-E166 HydrophobicContact CD1-CB 3.52Å; I142-E166 HydrophobicContact CD1-CG 3.71Å; K162-E166 PolarHBondContact O-N 3.42Å; K162-E166 VanDerWaalsContact O-N 3.09Å; C163-E166 PolarHBondContact O-N 2.89Å; E166-K169 PolarHBondContact O-N 2.78Å; E166-R170 PolarHBondContact O-N 2.82Å; E166-R170 WeakPolarHBondContact OE1-CD 3.4Å; E166-R170 WeakPolarHBondContact OE1-CG 3.43Å; E166-R170 IonicContact OE1-CZ 2.75Å; E166-R170 IonicContact OE1-NE 2.89Å; E166-R170 PolarHBondContact OE1-NE 3.32Å
167L95.6Very high95.2Very high5 Ų560.2 Ų60.23%0.02628%0.283CS..Hα-helixtrans-59.8-48.2172.3-65.1178.2000110.7Y3 G135 L138 T139 C163 V164 E165 K169 F171 F178Y3-L167 HydrophobicContact CD1-CD1 3.87Å; Y3-L167 HydrophobicContact CD2-CD1 4.37Å; Y3-L167 HydrophobicContact CE1-CD1 3.65Å; Y3-L167 HydrophobicContact CE2-CD1 4.21Å; Y3-L167 HydrophobicContact CG-CD1 4.17Å; G135-L167 VanDerWaalsContact CA-CD2 3.46Å; L138-L167 HydrophobicContact CB-CD2 4.34Å; L138-L167 HydrophobicContact CD1-CD2 4.23Å; T139-L167 HydrophobicContact CG2-CD1 4.26Å; T139-L167 HydrophobicContact CG2-CD2 3.85Å; T139-L167 HydrophobicContact CG2-CG 3.83Å; C163-L167 WeakPolarHBondContact O-CG 3.24Å; C163-L167 PolarHBondContact O-N 2.89Å; C163-L167 VanDerWaalsContact O-N 3.12Å; V164-L167 WeakPolarHBondContact O-CB 3.49Å; V164-L167 PolarHBondContact O-N 3.1Å; E165-L167 VanDerWaalsContact C-N 3.33Å; E165-L167 PolarHBondContact O-N 2.95Å; L167-K169 VanDerWaalsContact C-N 3.25Å; L167-K169 PolarHBondContact O-N 3.19Å; L167-F171 HydrophobicContact CB-CB 4.31Å; L167-F171 HydrophobicContact CD2-CB 4.17Å; L167-F171 HydrophobicContact CD2-CD1 4.49Å; L167-F171 HydrophobicContact CD2-CG 4.31Å; L167-F171 WeakPolarHBondContact O-CA 3.32Å; L167-F171 WeakPolarHBondContact O-CB 3.08Å; L167-F171 PolarHBondContact O-N 3.39Å; L167-F178 HydrophobicContact CD1-CE1 4.31Å; L167-F178 HydrophobicContact CD1-CZ 4.03Å
168N93.3Very high95.2Very high48 Ų4858.9 Ų58.926%0.25728%0.275SS..Hα-helixtrans-56.8-42.4176.6-165.813.8000111.8V164 E165 L196 T197 K199V164-N168 PolarHBondContact O-N 2.99Å; E165-N168 WeakPolarHBondContact O-CB 3.42Å; E165-N168 PolarHBondContact O-N 3.43Å; N168-L196 HydrophobicContact CB-CD1 3.67Å; N168-L196 HydrophobicContact CB-CD2 3.94Å; N168-L196 HydrophobicContact CB-CG 4.31Å; N168-T197 PolarHBondContact ND2-O 3.45Å; N168-K199 WeakPolarHBondContact O-CE 3.3Å; N168-K199 PolarHBondContact O-NZ 3Å
169K93.8Very high95.2Very high142 Ų14255.6 Ų55.662%0.61726%0.26SS*.Hα-helixtrans-72.4-47.6-174.7-172.5173-179172.90112.8E165 E166 L167 K199E165-K169 WeakPolarHBondContact O-CB 3.22Å; E165-K169 PolarHBondContact O-N 3.39Å; E166-K169 PolarHBondContact O-N 2.78Å; L167-K169 VanDerWaalsContact C-N 3.25Å; L167-K169 PolarHBondContact O-N 3.19Å; K169-K199 PolarHBondContact O-NZ 2.95Å
170R95.1Very high95.2Very high173 Ų17355.5 Ų55.565%0.65326%0.26SS*.Hα-helixtrans-113.6-22.4-168-64.8-156-167.3-136.12.6115.6L138 E166L138-R170 HydrophobicContact CD1-CB 4.24Å; E166-R170 PolarHBondContact O-N 2.82Å; E166-R170 WeakPolarHBondContact OE1-CD 3.4Å; E166-R170 WeakPolarHBondContact OE1-CG 3.43Å; E166-R170 IonicContact OE1-CZ 2.75Å; E166-R170 IonicContact OE1-NE 2.89Å; E166-R170 PolarHBondContact OE1-NE 3.32Å
171F95.8Very high95.3Very high30 Ų3057.1 Ų57.113%0.13227%0.266CS..  trans-76.7139.9-177.3-165.5-135.2000110.5L138 L167 L173 L175L138-F171 HydrophobicContact CD1-CB 3.92Å; L138-F171 HydrophobicContact CD1-CD2 4.06Å; L138-F171 HydrophobicContact CD1-CG 4.37Å; L167-F171 HydrophobicContact CB-CB 4.31Å; L167-F171 HydrophobicContact CD2-CB 4.17Å; L167-F171 HydrophobicContact CD2-CD1 4.49Å; L167-F171 HydrophobicContact CD2-CG 4.31Å; L167-F171 WeakPolarHBondContact O-CA 3.32Å; L167-F171 WeakPolarHBondContact O-CB 3.08Å; L167-F171 PolarHBondContact O-N 3.39Å; F171-L173 HydrophobicContact CD1-CB 3.94Å; F171-L173 HydrophobicContact CE1-CB 3.55Å; F171-L173 HydrophobicContact CE1-CD1 3.84Å; F171-L173 HydrophobicContact CE1-CG 3.82Å; F171-L173 HydrophobicContact CZ-CB 4.1Å; F171-L173 HydrophobicContact CZ-CD1 3.72Å; F171-L173 HydrophobicContact CZ-CG 3.83Å; F171-L175 HydrophobicContact CD1-CD1 4.06Å; F171-L175 HydrophobicContact CD1-CG 4.46Å; F171-L175 HydrophobicContact CE1-CD1 3.91Å; F171-L175 HydrophobicContact CE1-CG 4.41Å
172I94.8Very high95.3Very high157 Ų15752.3 Ų52.381%0.80525%0.248SC*.SBendtrans-76.7-26.1-175-170.659.2000112.8
173L93.1Very high95.4Very high71 Ų7147.6 Ų47.637%0.37223%0.228SC..SBendtrans-86.6140.9179.3-54.4-178.3000110.6M1 F171 L175M1-L173 HydrophobicContact CB-CD1 3.86Å; F171-L173 HydrophobicContact CD1-CB 3.94Å; F171-L173 HydrophobicContact CE1-CB 3.55Å; F171-L173 HydrophobicContact CE1-CD1 3.84Å; F171-L173 HydrophobicContact CE1-CG 3.82Å; F171-L173 HydrophobicContact CZ-CB 4.1Å; F171-L173 HydrophobicContact CZ-CD1 3.72Å; F171-L173 HydrophobicContact CZ-CG 3.83Å; L173-L175 PolarHBondContact O-N 3.42Å
174N89.8Confident95.4Very high101 Ų10147.7 Ų47.754%0.5423%0.228SC..  trans-78.7107.2175.2-177.718.2000111.1Q27Q27-N174 PolarHBondContact NE2-O 3Å
175L93.8Very high95.4Very high12 Ų1253.7 Ų53.76%0.06325%0.254CS..  trans-116.390.3174.1-59.6-178.5000109.1D18 V20 F171 L173 F178 L196D18-L175 HydrophobicContact CB-CD1 4.25Å; D18-L175 HydrophobicContact CB-CD2 4.05Å; V20-L175 HydrophobicContact CB-CD2 4.37Å; V20-L175 HydrophobicContact CG2-CD2 4.1Å; F171-L175 HydrophobicContact CD1-CD1 4.06Å; F171-L175 HydrophobicContact CD1-CG 4.46Å; F171-L175 HydrophobicContact CE1-CD1 3.91Å; F171-L175 HydrophobicContact CE1-CG 4.41Å; L173-L175 PolarHBondContact O-N 3.42Å; L175-F178 HydrophobicContact CB-CE2 4.22Å; L175-F178 HydrophobicContact CB-CZ 3.71Å; L175-F178 HydrophobicContact CD1-CE1 4.36Å; L175-F178 HydrophobicContact CD1-CZ 4.09Å; L175-L196 WeakPolarHBondContact O-CD1 3.41Å
176P91.6Very high95.4Very high38 Ų3854.5 Ų54.525%0.24726%0.262CS..  trans-78-25.8-167.429.5-35.7000114.2V20 L196V20-P176 HydrophobicContact CG2-CG 4.44Å; P176-L196 PolarHBondContact O-N 3.36Å
177S94.4Very high95.5Very high17 Ų1752.7 Ų52.712%0.11926%0.255CS..EExtended strand (participates in β ladder)trans-149.7155.1-17766.90000112.8N19 I194N19-S177 WeakPolarHBondContact CB-OG 3.44Å; N19-S177 PolarHBondContact N-O 3.3Å; N19-S177 VanDerWaalsContact N-O 3.09Å; N19-S177 PolarHBondContact OD1-O 3.02Å; N19-S177 PolarHBondContact OD1-OG 2.96Å; S177-I194 CarbonylContact C-O 3.55Å; S177-I194 VanDerWaalsContact CA-O 3.28Å; S177-I194 WeakPolarHBondContact CA-O 3.28Å
178F97Very high95.6Very high0 Ų054.3 Ų54.30%026%0.263CS..EExtended strand (participates in β ladder)trans-130131.6179.4-61.5-98000110.5Y3 A17 D18 N19 V164 L167 L175 K193 I194 L196Y3-F178 HydrophobicContact CD1-CD1 4.26Å; Y3-F178 AromaticContact CD1-CE1 3.63Å; Y3-F178 HydrophobicContact CD1-CE1 3.63Å; Y3-F178 HydrophobicContact CE1-CE1 4.23Å; A17-F178 CarbonylContact O-C 3.59Å; A17-F178 VanDerWaalsContact O-CA 3.22Å; A17-F178 WeakPolarHBondContact O-CA 3.42Å; D18-F178 HydrophobicContact CB-CD1 3.97Å; D18-F178 HydrophobicContact CB-CE1 3.69Å; D18-F178 HydrophobicContact CB-CZ 4.4Å; N19-F178 WeakPolarHBondContact OD1-CA 3.4Å; N19-F178 PolarHBondContact OD1-N 3.45Å; V164-F178 HydrophobicContact CB-CD2 4.47Å; V164-F178 HydrophobicContact CB-CE2 4.37Å; V164-F178 HydrophobicContact CG1-CD2 3.57Å; V164-F178 HydrophobicContact CG1-CE2 3.43Å; V164-F178 VanDerWaalsContact CG1-CE2 3.43Å; V164-F178 HydrophobicContact CG1-CZ 4.28Å; V164-F178 HydrophobicContact CG2-CD2 3.99Å; V164-F178 HydrophobicContact CG2-CE2 4.15Å; V164-F178 HydrophobicContact CG2-CG 4.2Å; V164-F178 HydrophobicContact CG2-CZ 4.45Å; L167-F178 HydrophobicContact CD1-CE1 4.31Å; L167-F178 HydrophobicContact CD1-CZ 4.03Å; L175-F178 HydrophobicContact CB-CE2 4.22Å; L175-F178 HydrophobicContact CB-CZ 3.71Å; L175-F178 HydrophobicContact CD1-CE1 4.36Å; L175-F178 HydrophobicContact CD1-CZ 4.09Å; F178-K193 WeakPolarHBondContact O-CA 3.22Å; F178-I194 PolarHBondContact N-O 3.15Å; F178-I194 PolarHBondContact O-N 2.93Å; F178-L196 HydrophobicContact CE2-CD1 4.09Å
179N97.6Very high95.8Very high15 Ų1555.4 Ų55.48%0.0827%0.266CS..EExtended strand (participates in β ladder)trans-72.8136164.1-78.7-10.1000108.3A16 A17 N19 D33 M35 K193A16-N179 WeakPolarHBondContact CA-O 3.26Å; A16-N179 WeakPolarHBondContact CB-O 3.45Å; A17-N179 PolarHBondContact N-O 3.35Å; A17-N179 PolarHBondContact O-N 3.03Å; N19-N179 PolarHBondContact ND2-ND2 2.84Å; N19-N179 PolarHBondContact ND2-OD1 3.4Å; N19-N179 PolarHBondContact OD1-N 3.4Å; D33-N179 VanDerWaalsContact CG-ND2 3.28Å; D33-N179 PolarHBondContact OD1-ND2 2.8Å; M35-N179 HydrophobicContact CE-CB 4.13Å; M35-N179 VanDerWaalsContact CE-O 3.26Å; M35-N179 WeakPolarHBondContact CE-O 3.47Å; N179-K193 WeakPolarHBondContact OD1-CE 3.42Å; N179-K193 PolarHBondContact OD1-NZ 3.44Å
180V98.1Very high95.9Very high5 Ų554.4 Ų54.43%0.0327%0.268CS..EExtended strand (participates in β ladder)trans-126.5131.3179.4-174.30000108.6L14 V15 A16 L160 M191 I194L14-V180 HydrophobicContact CD1-CG1 3.58Å; L14-V180 HydrophobicContact CG-CG1 4.37Å; V15-V180 WeakPolarHBondContact O-CA 3.49Å; A16-V180 HydrophobicContact CB-CG2 4Å; L160-V180 HydrophobicContact CD2-CG1 3.92Å; L160-V180 HydrophobicContact CD2-CG2 4.01Å; V180-M191 HydrophobicContact CB-CB 4.02Å; V180-M191 HydrophobicContact CG1-CB 3.98Å; V180-M191 HydrophobicContact CG1-CG 4.28Å; V180-M191 WeakPolarHBondContact O-CB 3.45Å; V180-M191 PolarHBondContact O-N 3.02Å; V180-I194 HydrophobicContact CG2-CD1 3.84Å; V180-I194 HydrophobicContact CG2-CG1 3.87Å
181R98.4Very high95.9Very high35 Ų3549.9 Ų49.913%0.13226%0.255CS..EExtended strand (participates in β ladder)trans-131.8144.2174.7-68.5-173.6175.4138.610.8110.2V15 D33 M35 L43 I188 H189 D190V15-R181 HydrophobicContact CG2-CB 4.04Å; V15-R181 PolarHBondContact N-O 3.41Å; V15-R181 PolarHBondContact O-N 3.35Å; D33-R181 IonicContact OD2-CZ 3.23Å; D33-R181 IonicContact OD2-NH1 3.84Å; D33-R181 PolarHBondContact OD2-NH1 3.19Å; D33-R181 IonicContact OD2-NH2 3.85Å; D33-R181 PolarHBondContact OD2-NH2 3.45Å; M35-R181 PolarHBondContact O-NH1 3.33Å; M35-R181 HydrophobicContact SD-CB 4.16Å; M35-R181 HydrophobicContact SD-CG 3.89Å; L43-R181 HydrophobicContact CD1-CB 3.81Å; L43-R181 HydrophobicContact CD1-CG 4.36Å; R181-I188 HydrophobicContact CB-CG2 4.46Å; R181-H189 WeakPolarHBondContact CA-O 3.26Å; R181-D190 WeakPolarHBondContact CG-OD1 3.16Å; R181-D190 IonicContact CZ-OD1 3.67Å; R181-D190 IonicContact NE-OD1 3.76Å; R181-D190 PolarHBondContact NE-OD1 3.4Å; R181-D190 IonicContact NH2-OD1 2.72Å
182L98.1Very high95.8Very high5 Ų557 Ų573%0.02629%0.289CS..EExtended strand (participates in β ladder)trans-115.5133.1173.9-176.1139.7000109Y12 L14 R153 D184 H189 M191Y12-L182 HydrophobicContact CD2-CD1 3.69Å; Y12-L182 HydrophobicContact CD2-CG 4.18Å; Y12-L182 HydrophobicContact CE2-CD1 4.31Å; Y12-L182 HydrophobicContact CG-CD1 4.07Å; Y12-L182 HydrophobicContact CG-CG 4.43Å; L14-L182 HydrophobicContact CD1-CB 4.28Å; L14-L182 HydrophobicContact CD1-CD1 4.4Å; R153-L182 HydrophobicContact CB-CD1 4.27Å; R153-L182 HydrophobicContact CG-CD1 4.04Å; L182-D184 HydrophobicContact CD2-CB 4.06Å; L182-H189 PolarHBondContact N-O 3.46Å; L182-H189 PolarHBondContact O-N 3.06Å; L182-M191 HydrophobicContact CB-CG 4.12Å; L182-M191 HydrophobicContact CB-SD 4.25Å
183I98.3Very high95.7Very high0 Ų054.2 Ų54.20%027%0.271CS..EExtended strand (participates in β ladder)trans-113.7124.3177.2-43.7174.5000107.8Y12 V13 L43 A105 H107 G187 I188Y12-I183 CarbonylContact C-O 3.49Å; Y12-I183 WeakPolarHBondContact CA-O 3.35Å; Y12-I183 WeakPolarHBondContact CB-O 3.36Å; V13-I183 PolarHBondContact N-O 3Å; V13-I183 PolarHBondContact O-N 3.18Å; L43-I183 HydrophobicContact CB-CD1 3.81Å; L43-I183 HydrophobicContact CD1-CD1 3.77Å; L43-I183 HydrophobicContact CD1-CG1 3.9Å; L43-I183 HydrophobicContact CG-CD1 3.91Å; L43-I183 HydrophobicContact CG-CG1 4.41Å; A105-I183 HydrophobicContact CB-CD1 3.58Å; A105-I183 VanDerWaalsContact O-CD1 3.3Å; A105-I183 WeakPolarHBondContact O-CD1 3.46Å; H107-I183 HydrophobicContact CB-CG2 4.03Å; I183-G187 WeakPolarHBondContact CA-O 3.47Å; I183-I188 HydrophobicContact CG1-CG1 4.26Å; I183-I188 HydrophobicContact CG2-CG1 4.27Å
184D97.2Very high95.7Very high2 Ų251.6 Ų51.61%0.01126%0.257CS..EExtended strand (participates in β ladder)trans-137.1-168.8173.768.712.5000111R153 L182 D186 G187 H189R153-D184 IonicContact CZ-OD2 2.76Å; R153-D184 VanDerWaalsContact CZ-OD2 3.23Å; R153-D184 IonicContact NH1-OD2 2.83Å; R153-D184 PolarHBondContact NH1-OD2 2.9Å; R153-D184 IonicContact NH2-OD2 3.75Å; R153-D184 PolarHBondContact NH2-OD2 2.9Å; L182-D184 HydrophobicContact CD2-CB 4.06Å; D184-D186 PolarHBondContact O-N 3.19Å; D184-D186 VanDerWaalsContact O-N 3.16Å; D184-D186 WeakPolarHBondContact OD1-CA 3.14Å; D184-D186 WeakPolarHBondContact OD1-CB 3.28Å; D184-D186 PolarHBondContact OD1-N 3.38Å; D184-G187 PolarHBondContact N-O 3.3Å; D184-G187 PolarHBondContact O-N 2.94Å; D184-G187 VanDerWaalsContact O-N 3.15Å; D184-G187 PolarHBondContact OD1-N 2.72Å; D184-H189 IonicContact OD1-CD2 3.33Å; D184-H189 IonicContact OD1-CE1 3.56Å; D184-H189 IonicContact OD1-NE2 2.68Å; D184-H189 PolarHBondContact OD1-NE2 2.95Å; D184-H189 IonicContact OD2-CD2 3.67Å; D184-H189 IonicContact OD2-NE2 2.95Å; D184-H189 PolarHBondContact OD2-NE2 3.38Å
185K96.4Very high95.7Very high126 Ų12651.8 Ų51.855%0.54826%0.262SS..THydrogen-bonded Turntrans-54.8-28.7177.966176.6-173.7176.40114.2K41K41-K185 VanDerWaalsContact CE-O 3.22Å; K41-K185 WeakPolarHBondContact CE-O 3.37Å; K41-K185 PolarHBondContact NZ-O 3.38Å; K41-K185 VanDerWaalsContact NZ-O 3.15Å
186D96.3Very high95.1Very high119 Ų11952.8 Ų52.864%0.63627%0.267SS*.THydrogen-bonded Turntrans-90.4-10.5-174.4-59.8-44.9000111.6D184D184-D186 PolarHBondContact O-N 3.19Å; D184-D186 VanDerWaalsContact O-N 3.16Å; D184-D186 WeakPolarHBondContact OD1-CA 3.14Å; D184-D186 WeakPolarHBondContact OD1-CB 3.28Å; D184-D186 PolarHBondContact OD1-N 3.38Å
187G96.2Very high93.8Very high5 Ų557.1 Ų57.15%0.05229%0.293CS..EExtended strand (participates in β ladder)trans127-149.6173.600000113E40 I183 D184E40-G187 WeakPolarHBondContact O-CA 3.35Å; I183-G187 WeakPolarHBondContact CA-O 3.47Å; D184-G187 PolarHBondContact N-O 3.3Å; D184-G187 PolarHBondContact O-N 2.94Å; D184-G187 VanDerWaalsContact O-N 3.15Å; D184-G187 PolarHBondContact OD1-N 2.72Å
188I98.1Very high91.9Very high39 Ų3960.9 Ų60.920%0.233%0.325CS..EExtended strand (participates in β ladder)trans-99.4125.3-179.7-62.9157.2000109.4K37 E40 L43 R181 I183K37-I188 HydrophobicContact CD-CD1 4.2Å; K37-I188 HydrophobicContact CG-CD1 3.82Å; E40-I188 WeakPolarHBondContact O-CG1 3.38Å; E40-I188 PolarHBondContact O-N 3.03Å; L43-I188 HydrophobicContact CD1-CD1 4.46Å; L43-I188 HydrophobicContact CD1-CG1 4.3Å; L43-I188 HydrophobicContact CD1-CG2 3.82Å; L43-I188 HydrophobicContact CD2-CD1 3.87Å; L43-I188 HydrophobicContact CD2-CG2 4.38Å; L43-I188 HydrophobicContact CG-CD1 3.73Å; L43-I188 HydrophobicContact CG-CG1 4.04Å; L43-I188 HydrophobicContact CG-CG2 4.25Å; R181-I188 HydrophobicContact CB-CG2 4.46Å; I183-I188 HydrophobicContact CG1-CG1 4.26Å; I183-I188 HydrophobicContact CG2-CG1 4.27Å
189H97.7Very high89.6Confident71 Ų7170.8 Ų70.833%0.32937%0.368SS..EExtended strand (participates in β ladder)trans-113.7123.7179-51.6-78.7000110.2R181 L182 D184 M191R181-H189 WeakPolarHBondContact CA-O 3.26Å; L182-H189 PolarHBondContact N-O 3.46Å; L182-H189 PolarHBondContact O-N 3.06Å; D184-H189 IonicContact OD1-CD2 3.33Å; D184-H189 IonicContact OD1-CE1 3.56Å; D184-H189 IonicContact OD1-NE2 2.68Å; D184-H189 PolarHBondContact OD1-NE2 2.95Å; D184-H189 IonicContact OD2-CD2 3.67Å; D184-H189 IonicContact OD2-NE2 2.95Å; D184-H189 PolarHBondContact OD2-NE2 3.38Å; H189-M191 PolarHBondContact O-N 3.21Å
190D97Very high89.2Confident122 Ų12273.6 Ų73.665%0.65238%0.383SS*.EExtended strand (participates in β ladder)trans-73.7122.3169.5-73.1-49.4000109.4R181R181-D190 WeakPolarHBondContact CG-OD1 3.16Å; R181-D190 IonicContact CZ-OD1 3.67Å; R181-D190 IonicContact NE-OD1 3.76Å; R181-D190 PolarHBondContact NE-OD1 3.4Å; R181-D190 IonicContact NH2-OD1 2.72Å
191M95.3Very high88.8Confident78 Ų7877.2 Ų77.238%0.38440%0.401SS..PPolyproline II helixtrans-97166.4178.7-61.1-72.7-69.900110.1V157 V180 L182 H189 K193V157-M191 HydrophobicContact CG2-CE 4.23Å; V180-M191 HydrophobicContact CB-CB 4.02Å; V180-M191 HydrophobicContact CG1-CB 3.98Å; V180-M191 HydrophobicContact CG1-CG 4.28Å; V180-M191 WeakPolarHBondContact O-CB 3.45Å; V180-M191 PolarHBondContact O-N 3.02Å; L182-M191 HydrophobicContact CB-CG 4.12Å; L182-M191 HydrophobicContact CB-SD 4.25Å; H189-M191 PolarHBondContact O-N 3.21Å; M191-K193 PolarHBondContact O-N 2.84Å
192E93.3Very high88.2Confident179 Ų17979.5 Ų79.584%0.83642%0.416SS*.PPolyproline II helixtrans-58.9134.1172.3-169.3178.1-176.600110.5I194E192-I194 PolarHBondContact O-N 3.47Å
193K91.9Very high87.7Confident98 Ų9883.9 Ų83.943%0.42644%0.439SS..PPolyproline II helixtrans-64.3132.9177.7-64.5-169.3-175.4-1660109.8F178 N179 M191 T195F178-K193 WeakPolarHBondContact O-CA 3.22Å; N179-K193 WeakPolarHBondContact OD1-CE 3.42Å; N179-K193 PolarHBondContact OD1-NZ 3.44Å; M191-K193 PolarHBondContact O-N 2.84Å; K193-T195 PolarHBondContact O-N 2.7Å
194I92.4Very high87Confident17 Ų1789.1 Ų89.19%0.08747%0.467CS..EExtended strand (participates in β ladder)trans-79.2108.9171.1-62.5173.3000106.8L160 V164 S177 F178 V180 E192L160-I194 HydrophobicContact CD2-CD1 3.68Å; L160-I194 HydrophobicContact CG-CD1 3.83Å; V164-I194 HydrophobicContact CB-CG2 4.39Å; V164-I194 HydrophobicContact CG1-CG2 3.85Å; S177-I194 CarbonylContact C-O 3.55Å; S177-I194 VanDerWaalsContact CA-O 3.28Å; S177-I194 WeakPolarHBondContact CA-O 3.28Å; F178-I194 PolarHBondContact N-O 3.15Å; F178-I194 PolarHBondContact O-N 2.93Å; V180-I194 HydrophobicContact CG2-CD1 3.84Å; V180-I194 HydrophobicContact CG2-CG1 3.87Å; E192-I194 PolarHBondContact O-N 3.47Å
195T89.8Confident86.3Confident105 Ų10594.9 Ų94.964%0.64450%0.497SS*.EExtended strand (participates in β ladder)trans-102.4135.5173.254.60000109.4K193K193-T195 PolarHBondContact O-N 2.7Å
196L82.2Confident85.6Confident32 Ų3292.7 Ų92.717%0.16849%0.493CS..PPolyproline II helixtrans-96.8134.8174.6-73163.5000109V164 N168 L175 P176 F178 A198V164-L196 HydrophobicContact CG1-CD1 3.54Å; V164-L196 HydrophobicContact CG1-CD2 3.88Å; V164-L196 HydrophobicContact CG1-CG 3.73Å; N168-L196 HydrophobicContact CB-CD1 3.67Å; N168-L196 HydrophobicContact CB-CD2 3.94Å; N168-L196 HydrophobicContact CB-CG 4.31Å; L175-L196 WeakPolarHBondContact O-CD1 3.41Å; P176-L196 PolarHBondContact O-N 3.36Å; F178-L196 HydrophobicContact CE2-CD1 4.09Å; L196-A198 PolarHBondContact O-N 3.11Å
197T63.9Low84.8Confident130 Ų13090.7 Ų90.780%0.79848%0.482SS*.PPolyproline II helixtrans-67.6130.8168.3-13.10000108.2N168N168-T197 PolarHBondContact ND2-O 3.45Å
198A54.8Low83.8Confident96 Ų9697.8 Ų97.879%0.79352%0.518SS*.PPolyproline II helixtrans-58.6142.8179.300000110.9L196L196-A198 PolarHBondContact O-N 3.11Å
199K49.6Very low82.5Confident207 Ų207103.2 Ų103.290%0.955%0.547SS*.  trans-640169.8-86.3176.1169.9165.70111.9N168 K169N168-K199 WeakPolarHBondContact O-CE 3.3Å; N168-K199 PolarHBondContact O-NZ 3Å; K169-K199 PolarHBondContact O-NZ 2.95Å

Retrieved 199 of 199 residues in 1581.7 ms (Link to these results)