A0A087X7Z0_POEFO Loading...

Cellular retinoic acid-binding protein 1

Cytosolic CRABPs may regulate the access of retinoic acid to the nuclear retinoic acid receptors.

AlphaFold DB (A0A3B3UQD0), UniProt , Accession A0A087X7Z0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 134 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
1M86.5Confident95.3Very high156 Ų15653.5 Ų53.577%0.76828%0.278SS*.  0164.60-52.6-177.4-72.900108.1E3 Q4M1-E3 WeakPolarHBondContact CB-OE2 3.33Å; M1-E3 PolarHBondContact O-N 3.34Å; M1-Q4 VanDerWaalsContact O-CG 3.28Å; M1-Q4 WeakPolarHBondContact O-CG 3.26Å; M1-Q4 PolarHBondContact O-N 2.9Å; M1-Q4 PolarHBondContact O-NE2 3.46Å
2V93Very high95.4Very high13 Ų1355.2 Ų55.28%0.07929%0.292CS..G310 helixtrans-66.7-23-173.265.30000112.9Q4 F5 V45 I51V2-Q4 PolarHBondContact O-N 3.11Å; V2-Q4 VanDerWaalsContact O-N 3.14Å; V2-F5 HydrophobicContact CG2-CD2 4.47Å; V2-F5 WeakPolarHBondContact O-CB 3.34Å; V2-F5 WeakPolarHBondContact O-CD2 3.28Å; V2-F5 PolarHBondContact O-N 3.09Å; V2-V45 HydrophobicContact CG1-CG2 3.92Å; V2-V45 HydrophobicContact CG2-CG2 4.41Å; V2-I51 HydrophobicContact CB-CD1 4.45Å; V2-I51 HydrophobicContact CG1-CD1 4.41Å; V2-I51 HydrophobicContact CG2-CD1 3.81Å; V2-I51 HydrophobicContact CG2-CG1 4.11Å; V2-I51 HydrophobicContact CG2-CG2 4.43Å
3E94.3Very high95.5Very high106 Ų10653.7 Ų53.750%0.49529%0.289SS..G310 helixtrans-58.4-28.4-179-64.477.4-174.100112.6M1 F5 V6M1-E3 WeakPolarHBondContact CB-OE2 3.33Å; M1-E3 PolarHBondContact O-N 3.34Å; E3-F5 PolarHBondContact O-N 2.77Å; E3-V6 WeakPolarHBondContact O-CB 2.83Å; E3-V6 PolarHBondContact O-N 2.84Å
4Q95Very high95.6Very high71 Ų7153.4 Ų53.433%0.33229%0.293SS..G310 helixtrans-63.5-24.9176.375.5-168.1-24.200112.7M1 V2 G91 V110M1-Q4 VanDerWaalsContact O-CG 3.28Å; M1-Q4 WeakPolarHBondContact O-CG 3.26Å; M1-Q4 PolarHBondContact O-N 2.9Å; M1-Q4 PolarHBondContact O-NE2 3.46Å; V2-Q4 PolarHBondContact O-N 3.11Å; V2-Q4 VanDerWaalsContact O-N 3.14Å; Q4-G91 PolarHBondContact NE2-O 2.87Å; Q4-V110 HydrophobicContact CG-CB 4.41Å
5F97.3Very high95.8Very high0 Ų057.9 Ų57.90%031%0.311CS..G310 helixtrans-84.6-15177.1-59.9-81000112.4V2 E3 G7 W9 I43 L88 L93 R108 V110 L115V2-F5 HydrophobicContact CG2-CD2 4.47Å; V2-F5 WeakPolarHBondContact O-CB 3.34Å; V2-F5 WeakPolarHBondContact O-CD2 3.28Å; V2-F5 PolarHBondContact O-N 3.09Å; E3-F5 PolarHBondContact O-N 2.77Å; F5-G7 PolarHBondContact O-N 2.95Å; F5-W9 PolarHBondContact O-NE1 3.08Å; F5-I43 HydrophobicContact CB-CD1 4.01Å; F5-I43 HydrophobicContact CB-CG2 4.23Å; F5-I43 WeakPolarHBondContact O-CB 3.41Å; F5-L88 HydrophobicContact CE2-CD1 4.01Å; F5-L93 HydrophobicContact CD2-CB 4.11Å; F5-L93 HydrophobicContact CE1-CB 4.11Å; F5-L93 HydrophobicContact CE2-CB 3.64Å; F5-L93 HydrophobicContact CZ-CB 3.66Å; F5-R108 HydrophobicContact CD1-CB 4.38Å; F5-R108 HydrophobicContact CE1-CB 3.94Å; F5-R108 VanDerWaalsContact CE1-O 3.29Å; F5-R108 WeakPolarHBondContact CE1-O 3.34Å; F5-R108 VanDerWaalsContact CZ-O 3.28Å; F5-R108 WeakPolarHBondContact CZ-O 3.45Å; F5-V110 HydrophobicContact CD1-CG2 3.5Å; F5-V110 HydrophobicContact CE1-CB 4.43Å; F5-V110 HydrophobicContact CE1-CG2 3.73Å; F5-V110 HydrophobicContact CG-CG2 4.3Å; F5-L115 HydrophobicContact CD1-CD1 4.1Å
6V97.3Very high95.9Very high51 Ų5159.6 Ų59.631%0.30932%0.32SS..  trans-64.8133-176.5173.80000111E3 I43 V45 K132E3-V6 WeakPolarHBondContact O-CB 2.83Å; E3-V6 PolarHBondContact O-N 2.84Å; V6-I43 WeakPolarHBondContact CA-O 3.46Å; V6-V45 HydrophobicContact CG2-CG2 3.69Å; V6-K132 PolarHBondContact O-NZ 2.74Å; V6-K132 VanDerWaalsContact O-NZ 3.08Å
7G96.8Very high96Very high21 Ų2157.8 Ų57.822%0.21631%0.309CS..EExtended strand (participates in β ladder)trans137.4-173.5179.500000112.6F5 I42 I43F5-G7 PolarHBondContact O-N 2.95Å; G7-I42 WeakPolarHBondContact O-CA 3.36Å; G7-I43 PolarHBondContact N-O 2.76Å; G7-I43 PolarHBondContact O-N 3.22Å
8K97.5Very high96.1Very high92 Ų9256.7 Ų56.740%0.430%0.303SS..EExtended strand (participates in β ladder)trans-102.3133.2173.1-179.8177.6-179.8-179.60108.7N40 L41 I42 A133K8-N40 HydrophobicContact CG-CB 4.49Å; K8-L41 CarbonylContact C-O 3.58Å; K8-L41 WeakPolarHBondContact CA-O 3.34Å; K8-I42 HydrophobicContact CB-CG1 4.31Å; K8-I42 HydrophobicContact CG-CG1 4.01Å; K8-A133 HydrophobicContact CB-CB 3.94Å; K8-A133 HydrophobicContact CD-CB 4.01Å; K8-A133 HydrophobicContact CG-CB 3.83Å; K8-A133 WeakPolarHBondContact O-CB 3.46Å; K8-A133 PolarHBondContact O-N 3.21Å
9W98.1Very high96.2Very high2 Ų257.7 Ų57.71%0.00831%0.306CS..EExtended strand (participates in β ladder)trans-127.2125.2-176.1-59.793.3000109F5 N40 L41 V110 G113 L115 Y130 E131 K132F5-W9 PolarHBondContact O-NE1 3.08Å; W9-N40 CarbonylContact O-C 3.58Å; W9-N40 VanDerWaalsContact O-CA 3.26Å; W9-N40 WeakPolarHBondContact O-CA 3.44Å; W9-L41 HydrophobicContact CB-CB 4.22Å; W9-L41 PolarHBondContact N-O 2.96Å; W9-L41 PolarHBondContact O-N 2.79Å; W9-V110 HydrophobicContact CH2-CG1 3.83Å; W9-V110 HydrophobicContact CH2-CG2 3.87Å; W9-V110 HydrophobicContact CZ2-CG1 4.4Å; W9-V110 HydrophobicContact CZ2-CG2 3.85Å; W9-G113 WeakPolarHBondContact CZ3-O 3.37Å; W9-L115 HydrophobicContact CD2-CB 3.68Å; W9-L115 HydrophobicContact CD2-CD1 3.87Å; W9-L115 HydrophobicContact CD2-CG 4.45Å; W9-L115 HydrophobicContact CE3-CB 3.46Å; W9-L115 VanDerWaalsContact CE3-CB 3.46Å; W9-L115 HydrophobicContact CG-CB 4.3Å; W9-L115 HydrophobicContact CG-CD1 3.93Å; W9-L115 HydrophobicContact CH2-CB 4.13Å; W9-L115 HydrophobicContact CZ2-CB 4.32Å; W9-L115 HydrophobicContact CZ2-CD1 4.34Å; W9-L115 HydrophobicContact CZ3-CB 3.7Å; W9-Y130 HydrophobicContact CB-CD1 4.22Å; W9-Y130 HydrophobicContact CB-CG 4.31Å; W9-E131 CarbonylContact C-O 3.52Å; W9-E131 WeakPolarHBondContact CA-O 3.32Å; W9-K132 HydrophobicContact CD2-CB 4.5Å; W9-K132 HydrophobicContact CD2-CG 4.48Å; W9-K132 HydrophobicContact CE3-CB 3.86Å; W9-K132 HydrophobicContact CE3-CG 4.3Å; W9-K132 HydrophobicContact CH2-CB 4.1Å; W9-K132 HydrophobicContact CH2-CD 3.99Å; W9-K132 HydrophobicContact CH2-CG 4.21Å; W9-K132 HydrophobicContact CZ2-CD 4.15Å; W9-K132 HydrophobicContact CZ2-CG 4.39Å; W9-K132 HydrophobicContact CZ3-CB 3.64Å; W9-K132 HydrophobicContact CZ3-CD 4.4Å; W9-K132 HydrophobicContact CZ3-CG 4.17Å
10T96.5Very high96.4Very high55 Ų5555.5 Ų55.534%0.33729%0.293SS..EExtended strand (participates in β ladder)trans-101129.2-179.3-65.20000109.7V12 N40 Y130 E131T10-V12 PolarHBondContact O-N 2.83Å; T10-N40 WeakPolarHBondContact CA-OD1 3.28Å; T10-N40 WeakPolarHBondContact CB-OD1 3.28Å; T10-N40 PolarHBondContact OG1-OD1 2.84Å; T10-Y130 CarbonylContact O-C 3.55Å; T10-Y130 WeakPolarHBondContact O-CA 3.4Å; T10-Y130 WeakPolarHBondContact O-CB 3.5Å; T10-E131 PolarHBondContact N-O 2.89Å; T10-E131 PolarHBondContact O-N 3.25Å
11L96.4Very high96.4Very high21 Ų2153 Ų5311%0.1128%0.28CS..EExtended strand (participates in β ladder)trans-64.8126.1178.2-176.481.4000110.4S13 K38 R128 Y130L11-S13 WeakPolarHBondContact CD1-O 3.4Å; L11-K38 HydrophobicContact CD2-CB 4.37Å; L11-K38 HydrophobicContact CD2-CG 4.38Å; L11-R128 HydrophobicContact CD1-CB 3.91Å; L11-R128 HydrophobicContact CD1-CG 4.46Å; L11-Y130 VanDerWaalsContact CA-CD1 3.44Å; L11-Y130 HydrophobicContact CB-CD1 3.87Å; L11-Y130 HydrophobicContact CB-CE1 3.62Å; L11-Y130 HydrophobicContact CD1-CD1 4.19Å; L11-Y130 HydrophobicContact CD1-CD2 4.21Å; L11-Y130 HydrophobicContact CD1-CE1 3.68Å; L11-Y130 HydrophobicContact CD1-CE2 3.7Å; L11-Y130 HydrophobicContact CD1-CG 4.41Å; L11-Y130 HydrophobicContact CG-CE1 4.28Å; L11-Y130 VanDerWaalsContact N-CD1 3.3Å
12V96.1Very high96.9Very high74 Ų7450.5 Ų50.545%0.44827%0.265SS..EExtended strand (participates in β ladder)trans-116.9-29.1178.1-63.30000113.3T10 T129 E131T10-V12 PolarHBondContact O-N 2.83Å; V12-T129 HydrophobicContact CG2-CG2 4.09Å; V12-T129 VanDerWaalsContact CG2-O 3.32Å; V12-T129 WeakPolarHBondContact CG2-O 3.37Å; V12-T129 PolarHBondContact N-O 3.05Å; V12-E131 HydrophobicContact CG1-CB 4.04Å; V12-E131 HydrophobicContact CG1-CG 3.87Å; V12-E131 HydrophobicContact CG2-CG 3.93Å
13S96.6Very high97.1Very high36 Ų3651.4 Ų51.425%0.25227%0.274SS..EExtended strand (participates in β ladder)trans-141.2152.8172.999.40000111.9L11 R128 T129L11-S13 WeakPolarHBondContact CD1-O 3.4Å; S13-R128 WeakPolarHBondContact O-CA 3.23Å; S13-T129 PolarHBondContact N-O 2.9Å; S13-T129 PolarHBondContact O-N 3Å; S13-T129 WeakPolarHBondContact OG-CB 3.37Å; S13-T129 PolarHBondContact OG-OG1 3.47Å
14S97.4Very high97.1Very high50 Ų5046.5 Ų46.535%0.3525%0.251SS..EExtended strand (participates in β ladder)trans-149.9114.4176.9-1770000109.1F17 V127S14-F17 WeakPolarHBondContact OG-CB 3.37Å; S14-V127 WeakPolarHBondContact CA-O 3.43Å
15E98.2Very high97Very high121 Ų12145.9 Ų45.957%0.56526%0.263SS*.EExtended strand (participates in β ladder)trans-115.8136.8-175.7-67.1171.6-152.900109.7F17 A126 V127E15-F17 PolarHBondContact O-N 3.35Å; E15-A126 VanDerWaalsContact O-CA 3.29Å; E15-A126 WeakPolarHBondContact O-CA 3.33Å; E15-A126 WeakPolarHBondContact O-CB 3.44Å; E15-V127 PolarHBondContact N-O 2.74Å; E15-V127 PolarHBondContact O-N 3.38Å
16N98.2Very high96.9Very high84 Ų8447.3 Ų47.345%0.44927%0.271SS..SBendtrans57.816.9176-156.335.5000116.2D18 E19 Y20 V125 A126N16-D18 PolarHBondContact O-N 3.46Å; N16-E19 PolarHBondContact O-N 2.8Å; N16-E19 WeakPolarHBondContact OD1-CB 3.32Å; N16-E19 WeakPolarHBondContact OD1-CG 3.35Å; N16-Y20 PolarHBondContact O-N 2.9Å; N16-V125 PolarHBondContact ND2-O 3.04Å; N16-A126 HydrophobicContact CB-CB 4.45Å
17F97.6Very high96.8Very high29 Ų2948 Ų4813%0.12728%0.278CS..Hα-helixtrans-68.1-30.4-174.1-167.6-116.6000113.8S14 E15 Y20 M21 A126 R128S14-F17 WeakPolarHBondContact OG-CB 3.37Å; E15-F17 PolarHBondContact O-N 3.35Å; F17-Y20 AromaticContact CD2-CD1 3.94Å; F17-Y20 HydrophobicContact CD2-CD1 3.94Å; F17-Y20 AromaticContact CE2-CD1 3.72Å; F17-Y20 HydrophobicContact CE2-CD1 3.72Å; F17-Y20 HydrophobicContact CE2-CE1 4.11Å; F17-Y20 PolarHBondContact O-N 2.8Å; F17-M21 HydrophobicContact CD1-CE 3.41Å; F17-M21 VanDerWaalsContact CD1-CE 3.41Å; F17-M21 HydrophobicContact CD1-CG 4.1Å; F17-M21 HydrophobicContact CD1-SD 3.75Å; F17-M21 HydrophobicContact CE1-CE 3.66Å; F17-M21 HydrophobicContact CE1-CG 3.76Å; F17-M21 HydrophobicContact CE1-SD 3.3Å; F17-M21 WeakPolarHBondContact CE1-SD 3.32Å; F17-M21 HydrophobicContact CE2-CG 4.32Å; F17-M21 HydrophobicContact CG-CE 4.26Å; F17-M21 HydrophobicContact CZ-CG 3.88Å; F17-M21 HydrophobicContact CZ-SD 3.95Å; F17-M21 WeakPolarHBondContact O-CG 3.16Å; F17-M21 PolarHBondContact O-N 3.14Å; F17-A126 HydrophobicContact CB-CB 4.36Å; F17-A126 HydrophobicContact CD2-CB 4.17Å; F17-R128 HydrophobicContact CD2-CG 4.35Å; F17-R128 VanDerWaalsContact CZ-NH1 3.26Å
18D97.6Very high96.6Very high38 Ų3853.4 Ų53.420%0.20330%0.295CS..Hα-helixtrans-61.7-47.2174-163.182.2000111.8N16 Y20 M21 K22 R31 N35N16-D18 PolarHBondContact O-N 3.46Å; D18-Y20 VanDerWaalsContact C-N 3.33Å; D18-Y20 PolarHBondContact O-N 2.87Å; D18-M21 PolarHBondContact O-N 3.31Å; D18-K22 WeakPolarHBondContact O-CB 3.29Å; D18-K22 PolarHBondContact O-N 3.36Å; D18-R31 WeakPolarHBondContact O-CD 3.47Å; D18-R31 VanDerWaalsContact OD1-CB 3.3Å; D18-R31 WeakPolarHBondContact OD1-CB 3.48Å; D18-R31 IonicContact OD1-NE 2.79Å; D18-R31 PolarHBondContact OD1-NE 3.26Å; D18-R31 IonicContact OD2-CZ 2.85Å; D18-R31 IonicContact OD2-NE 2.69Å; D18-R31 PolarHBondContact OD2-NE 2.9Å; D18-R31 VanDerWaalsContact OD2-NE 3.09Å; D18-R31 IonicContact OD2-NH2 3.39Å; D18-N35 PolarHBondContact OD1-ND2 3.17Å
19E98.4Very high96.4Very high77 Ų7752.1 Ų52.136%0.3630%0.302SS..Hα-helixtrans-65.4-38.6179.4-65.5-56.613700111.2N16 K22 A23 V124N16-E19 PolarHBondContact O-N 2.8Å; N16-E19 WeakPolarHBondContact OD1-CB 3.32Å; N16-E19 WeakPolarHBondContact OD1-CG 3.35Å; E19-K22 WeakPolarHBondContact O-CB 3.38Å; E19-K22 PolarHBondContact O-N 2.81Å; E19-K22 IonicContact OE1-NZ 2.77Å; E19-K22 IonicContact OE2-NZ 3.6Å; E19-K22 PolarHBondContact OE2-NZ 2.75Å; E19-A23 WeakPolarHBondContact O-CB 3.26Å; E19-A23 PolarHBondContact O-N 2.81Å; E19-V124 HydrophobicContact CB-CG1 3.99Å
20Y98.4Very high96Very high13 Ų1354.8 Ų54.85%0.05132%0.319CS..Hα-helixtrans-59.7-50.8172.1167.7-98.7000111.7N16 F17 D18 K22 A23 V24 T104 C119 M121 A126N16-Y20 PolarHBondContact O-N 2.9Å; F17-Y20 AromaticContact CD2-CD1 3.94Å; F17-Y20 HydrophobicContact CD2-CD1 3.94Å; F17-Y20 AromaticContact CE2-CD1 3.72Å; F17-Y20 HydrophobicContact CE2-CD1 3.72Å; F17-Y20 HydrophobicContact CE2-CE1 4.11Å; F17-Y20 PolarHBondContact O-N 2.8Å; D18-Y20 VanDerWaalsContact C-N 3.33Å; D18-Y20 PolarHBondContact O-N 2.87Å; Y20-K22 PolarHBondContact O-N 2.94Å; Y20-A23 PolarHBondContact O-N 2.86Å; Y20-V24 HydrophobicContact CD1-CG2 4.47Å; Y20-V24 HydrophobicContact CD2-CG2 4.25Å; Y20-V24 HydrophobicContact CE1-CG2 3.95Å; Y20-V24 HydrophobicContact CE2-CG2 3.7Å; Y20-V24 WeakPolarHBondContact O-CG2 3.49Å; Y20-V24 PolarHBondContact O-N 2.88Å; Y20-T104 VanDerWaalsContact CE2-OG1 3.3Å; Y20-T104 WeakPolarHBondContact CE2-OG1 3.43Å; Y20-T104 PolarHBondContact OH-OG1 2.8Å; Y20-C119 HydrophobicContact CD1-CB 3.83Å; Y20-C119 HydrophobicContact CD2-CB 3.69Å; Y20-C119 WeakPolarHBondContact CD2-O 3.37Å; Y20-C119 HydrophobicContact CE1-CB 3.74Å; Y20-C119 HydrophobicContact CE2-CB 3.59Å; Y20-C119 HydrophobicContact CG-CB 3.81Å; Y20-M121 HydrophobicContact CD2-CB 4.02Å; Y20-M121 HydrophobicContact CE2-CB 3.91Å; Y20-A126 HydrophobicContact CG-CB 4.17Å
21M96.8Very high96Very high2 Ų253.7 Ų53.71%0.0131%0.308CS..Hα-helixtrans-60.7-35178.9-72.9-173.4-69.600111.7F17 D18 G25 M26 R31 N35F17-M21 HydrophobicContact CD1-CE 3.41Å; F17-M21 VanDerWaalsContact CD1-CE 3.41Å; F17-M21 HydrophobicContact CD1-CG 4.1Å; F17-M21 HydrophobicContact CD1-SD 3.75Å; F17-M21 HydrophobicContact CE1-CE 3.66Å; F17-M21 HydrophobicContact CE1-CG 3.76Å; F17-M21 HydrophobicContact CE1-SD 3.3Å; F17-M21 WeakPolarHBondContact CE1-SD 3.32Å; F17-M21 HydrophobicContact CE2-CG 4.32Å; F17-M21 HydrophobicContact CG-CE 4.26Å; F17-M21 HydrophobicContact CZ-CG 3.88Å; F17-M21 HydrophobicContact CZ-SD 3.95Å; F17-M21 WeakPolarHBondContact O-CG 3.16Å; F17-M21 PolarHBondContact O-N 3.14Å; D18-M21 PolarHBondContact O-N 3.31Å; M21-G25 PolarHBondContact O-N 2.9Å; M21-M26 HydrophobicContact CB-CB 4.22Å; M21-M26 HydrophobicContact CB-CG 4.26Å; M21-M26 HydrophobicContact CB-SD 3.67Å; M21-M26 HydrophobicContact CG-CE 4.29Å; M21-M26 HydrophobicContact CG-SD 3.57Å; M21-M26 VanDerWaalsContact CG-SD 3.57Å; M21-M26 VanDerWaalsContact O-CB 3.27Å; M21-M26 WeakPolarHBondContact O-CB 3.35Å; M21-M26 PolarHBondContact O-N 2.91Å; M21-M26 HydrophobicContact SD-SD 3.7Å; M21-M26 VanDerWaalsContact SD-SD 3.7Å; M21-R31 HydrophobicContact CB-CB 4.47Å; M21-R31 HydrophobicContact CB-CG 3.7Å; M21-R31 HydrophobicContact CE-CB 3.85Å; M21-R31 HydrophobicContact CE-CG 4.31Å; M21-R31 WeakPolarHBondContact CE-O 3.42Å; M21-R31 HydrophobicContact SD-CB 4.4Å; M21-R31 HydrophobicContact SD-CG 4.44Å; M21-N35 VanDerWaalsContact CE-ND2 3.34Å; M21-N35 WeakPolarHBondContact CE-ND2 3.49Å
22K97.1Very high95.9Very high105 Ų10556.8 Ų56.846%0.45732%0.322SS..Hα-helixtrans-67.6-44.8175.5178.1179.3158-154.90111.8D18 E19 Y20 V24 G25 R31D18-K22 WeakPolarHBondContact O-CB 3.29Å; D18-K22 PolarHBondContact O-N 3.36Å; E19-K22 WeakPolarHBondContact O-CB 3.38Å; E19-K22 PolarHBondContact O-N 2.81Å; E19-K22 IonicContact OE1-NZ 2.77Å; E19-K22 IonicContact OE2-NZ 3.6Å; E19-K22 PolarHBondContact OE2-NZ 2.75Å; Y20-K22 PolarHBondContact O-N 2.94Å; K22-V24 VanDerWaalsContact C-N 3.31Å; K22-V24 PolarHBondContact O-N 2.81Å; K22-G25 WeakPolarHBondContact O-CA 3.4Å; K22-G25 PolarHBondContact O-N 3.43Å; K22-R31 VanDerWaalsContact N-CD 3.35Å
23A97.2Very high95.6Very high32 Ų3258 Ų5826%0.26432%0.324SS..Hα-helixtrans-61.8-38.8176.100000112.1E19 Y20 G25 M121 V124E19-A23 WeakPolarHBondContact O-CB 3.26Å; E19-A23 PolarHBondContact O-N 2.81Å; Y20-A23 PolarHBondContact O-N 2.86Å; A23-G25 PolarHBondContact O-N 2.97Å; A23-M121 HydrophobicContact CB-CB 4.11Å; A23-M121 HydrophobicContact CB-CG 3.85Å; A23-V124 HydrophobicContact CB-CB 4.27Å; A23-V124 HydrophobicContact CB-CG2 4.06Å
24V95.5Very high95.4Very high3 Ų357.1 Ų57.12%0.01832%0.321CS..Hα-helixtrans-63.6-23.7172.7170.70000112.3Y20 K22 W99 M121Y20-V24 HydrophobicContact CD1-CG2 4.47Å; Y20-V24 HydrophobicContact CD2-CG2 4.25Å; Y20-V24 HydrophobicContact CE1-CG2 3.95Å; Y20-V24 HydrophobicContact CE2-CG2 3.7Å; Y20-V24 WeakPolarHBondContact O-CG2 3.49Å; Y20-V24 PolarHBondContact O-N 2.88Å; K22-V24 VanDerWaalsContact C-N 3.31Å; K22-V24 PolarHBondContact O-N 2.81Å; V24-W99 HydrophobicContact CG1-CH2 4.21Å; V24-W99 HydrophobicContact CG1-CZ2 4.08Å; V24-M121 HydrophobicContact CG2-CB 4.22Å; V24-M121 HydrophobicContact CG2-CG 4.19Å; V24-M121 HydrophobicContact CG2-SD 4.35Å
25G93.1Very high95.2Very high58 Ų5857.9 Ų57.960%0.59832%0.321SS*.THydrogen-bonded Turntrans103.115.6178.200000114.6M21 K22 A23M21-G25 PolarHBondContact O-N 2.9Å; K22-G25 WeakPolarHBondContact O-CA 3.4Å; K22-G25 PolarHBondContact O-N 3.43Å; A23-G25 PolarHBondContact O-N 2.97Å
26M94.3Very high94.9Very high30 Ų3058 Ų5815%0.14833%0.325CS..  trans-68.4140177.5-67-171.1177.200112.1M21 T30 R31 D78M21-M26 HydrophobicContact CB-CB 4.22Å; M21-M26 HydrophobicContact CB-CG 4.26Å; M21-M26 HydrophobicContact CB-SD 3.67Å; M21-M26 HydrophobicContact CG-CE 4.29Å; M21-M26 HydrophobicContact CG-SD 3.57Å; M21-M26 VanDerWaalsContact CG-SD 3.57Å; M21-M26 VanDerWaalsContact O-CB 3.27Å; M21-M26 WeakPolarHBondContact O-CB 3.35Å; M21-M26 PolarHBondContact O-N 2.91Å; M21-M26 HydrophobicContact SD-SD 3.7Å; M21-M26 VanDerWaalsContact SD-SD 3.7Å; M26-T30 HydrophobicContact CB-CG2 4.41Å; M26-T30 HydrophobicContact CG-CG2 4.43Å; M26-T30 HydrophobicContact SD-CG2 3.92Å; M26-R31 HydrophobicContact CB-CG 3.87Å; M26-R31 PolarHBondContact O-NH1 2.87Å; M26-D78 HydrophobicContact CE-CB 3.42Å; M26-D78 VanDerWaalsContact CE-CB 3.42Å; M26-D78 HydrophobicContact CG-CB 3.97Å; M26-D78 HydrophobicContact SD-CB 4.1Å
27S94.1Very high94.4Very high66 Ų6654.7 Ų54.746%0.46231%0.31SS..  trans-61.1151.4175.585.70000112.1A29 T30 R31S27-A29 VanDerWaalsContact C-N 3.26Å; S27-A29 PolarHBondContact O-N 3.05Å; S27-T30 WeakPolarHBondContact O-CB 3.46Å; S27-T30 PolarHBondContact O-N 2.85Å; S27-T30 PolarHBondContact OG-N 3.15Å; S27-T30 PolarHBondContact OG-OG1 2.82Å; S27-R31 WeakPolarHBondContact O-CG 3.42Å; S27-R31 PolarHBondContact O-N 2.74Å
28F93.6Very high94.1Very high133 Ų13360.9 Ų60.958%0.58334%0.337SS*.Hα-helixtrans-52.1-43.4179.1177.7-99.4000112.9T30 R31 Q32F28-T30 PolarHBondContact O-N 3.27Å; F28-R31 PolarHBondContact O-N 3.48Å; F28-Q32 HydrophobicContact CD1-CG 4.31Å; F28-Q32 HydrophobicContact CE1-CG 3.88Å; F28-Q32 HydrophobicContact CE2-CG 4.37Å; F28-Q32 HydrophobicContact CZ-CG 3.91Å; F28-Q32 WeakPolarHBondContact O-CG 3.43Å; F28-Q32 PolarHBondContact O-N 2.94Å
29A92.6Very high93.8Very high65 Ų6559.9 Ų59.954%0.53733%0.332SS..Hα-helixtrans-63.3-42.9178.500000112.2S27 R31 Q32 M33S27-A29 VanDerWaalsContact C-N 3.26Å; S27-A29 PolarHBondContact O-N 3.05Å; A29-R31 VanDerWaalsContact C-N 3.3Å; A29-R31 PolarHBondContact O-N 3.18Å; A29-Q32 PolarHBondContact O-N 3.03Å; A29-M33 PolarHBondContact O-N 2.84Å
30T91.3Very high93.7Very high59 Ų5957.9 Ų57.936%0.36232%0.324SS..Hα-helixtrans-61.8-39.7176-50.60000111.3M26 S27 F28 M33 G34 D78M26-T30 HydrophobicContact CB-CG2 4.41Å; M26-T30 HydrophobicContact CG-CG2 4.43Å; M26-T30 HydrophobicContact SD-CG2 3.92Å; S27-T30 WeakPolarHBondContact O-CB 3.46Å; S27-T30 PolarHBondContact O-N 2.85Å; S27-T30 PolarHBondContact OG-N 3.15Å; S27-T30 PolarHBondContact OG-OG1 2.82Å; F28-T30 PolarHBondContact O-N 3.27Å; T30-M33 PolarHBondContact O-N 2.74Å; T30-G34 PolarHBondContact O-N 3.25Å; T30-D78 HydrophobicContact CG2-CB 4.41Å
31R95.2Very high93.6Very high32 Ų3257.9 Ų57.912%0.12132%0.324CS..Hα-helixtrans-66.6-42.7178.7-59.2-158.8-54-85.94.9112.9D18 M21 K22 M26 S27 F28 A29 M33 G34 N35D18-R31 WeakPolarHBondContact O-CD 3.47Å; D18-R31 VanDerWaalsContact OD1-CB 3.3Å; D18-R31 WeakPolarHBondContact OD1-CB 3.48Å; D18-R31 IonicContact OD1-NE 2.79Å; D18-R31 PolarHBondContact OD1-NE 3.26Å; D18-R31 IonicContact OD2-CZ 2.85Å; D18-R31 IonicContact OD2-NE 2.69Å; D18-R31 PolarHBondContact OD2-NE 2.9Å; D18-R31 VanDerWaalsContact OD2-NE 3.09Å; D18-R31 IonicContact OD2-NH2 3.39Å; M21-R31 HydrophobicContact CB-CB 4.47Å; M21-R31 HydrophobicContact CB-CG 3.7Å; M21-R31 HydrophobicContact CE-CB 3.85Å; M21-R31 HydrophobicContact CE-CG 4.31Å; M21-R31 WeakPolarHBondContact CE-O 3.42Å; M21-R31 HydrophobicContact SD-CB 4.4Å; M21-R31 HydrophobicContact SD-CG 4.44Å; K22-R31 VanDerWaalsContact N-CD 3.35Å; M26-R31 HydrophobicContact CB-CG 3.87Å; M26-R31 PolarHBondContact O-NH1 2.87Å; S27-R31 WeakPolarHBondContact O-CG 3.42Å; S27-R31 PolarHBondContact O-N 2.74Å; F28-R31 PolarHBondContact O-N 3.48Å; A29-R31 VanDerWaalsContact C-N 3.3Å; A29-R31 PolarHBondContact O-N 3.18Å; R31-M33 VanDerWaalsContact C-N 3.3Å; R31-M33 PolarHBondContact O-N 2.92Å; R31-G34 PolarHBondContact O-N 3.03Å; R31-G34 VanDerWaalsContact O-N 3.13Å; R31-N35 PolarHBondContact O-N 2.89Å; R31-N35 PolarHBondContact O-ND2 2.9Å
32Q94Very high93.6Very high86 Ų8660.1 Ų60.140%0.40234%0.336SS..Hα-helixtrans-56.1-47174.7-70.6-63.6-37.500111F28 A29 G34 N35 L36F28-Q32 HydrophobicContact CD1-CG 4.31Å; F28-Q32 HydrophobicContact CE1-CG 3.88Å; F28-Q32 HydrophobicContact CE2-CG 4.37Å; F28-Q32 HydrophobicContact CZ-CG 3.91Å; F28-Q32 WeakPolarHBondContact O-CG 3.43Å; F28-Q32 PolarHBondContact O-N 2.94Å; A29-Q32 PolarHBondContact O-N 3.03Å; Q32-G34 PolarHBondContact O-N 2.83Å; Q32-N35 PolarHBondContact O-N 2.88Å; Q32-L36 WeakPolarHBondContact O-CG 3.46Å; Q32-L36 PolarHBondContact O-N 3.03Å; Q32-L36 VanDerWaalsContact O-N 3.16Å
33M91.4Very high93.7Very high98 Ų9855.2 Ų55.248%0.48332%0.315SS..Hα-helixtrans-64.3-40.1175.9-65.7-61.8-74.900112.6A29 T30 R31 N35 L36 A37 L59A29-M33 PolarHBondContact O-N 2.84Å; T30-M33 PolarHBondContact O-N 2.74Å; R31-M33 VanDerWaalsContact C-N 3.3Å; R31-M33 PolarHBondContact O-N 2.92Å; M33-N35 PolarHBondContact O-N 2.79Å; M33-L36 PolarHBondContact O-N 2.94Å; M33-A37 WeakPolarHBondContact O-CB 3.31Å; M33-A37 PolarHBondContact O-N 2.8Å; M33-L59 HydrophobicContact CE-CD1 3.91Å; M33-L59 HydrophobicContact CE-CD2 3.58Å; M33-L59 HydrophobicContact CE-CG 4.23Å; M33-L59 WeakPolarHBondContact O-CD1 3.31Å
34G91.3Very high93.7Very high19 Ų1956.4 Ų56.420%0.19632%0.321CS..Hα-helixtrans-65-35.2178.400000114T30 R31 Q32 A37T30-G34 PolarHBondContact O-N 3.25Å; R31-G34 PolarHBondContact O-N 3.03Å; R31-G34 VanDerWaalsContact O-N 3.13Å; Q32-G34 PolarHBondContact O-N 2.83Å; G34-A37 PolarHBondContact O-N 2.82Å
35N93Very high93.8Very high65 Ų6558.6 Ų58.635%0.34833%0.334SS..Hα-helixtrans-74.4-33.3175.5-74.6-57.7000112.6D18 M21 R31 Q32 M33 A37D18-N35 PolarHBondContact OD1-ND2 3.17Å; M21-N35 VanDerWaalsContact CE-ND2 3.34Å; M21-N35 WeakPolarHBondContact CE-ND2 3.49Å; R31-N35 PolarHBondContact O-N 2.89Å; R31-N35 PolarHBondContact O-ND2 2.9Å; Q32-N35 PolarHBondContact O-N 2.88Å; M33-N35 PolarHBondContact O-N 2.79Å; N35-A37 VanDerWaalsContact C-N 3.3Å
36L91.6Very high93.9Very high123 Ų12358.1 Ų58.164%0.64433%0.325SS*.Hα-helixtrans-73-25.8173.9-67.9173000112Q32 M33 K38Q32-L36 WeakPolarHBondContact O-CG 3.46Å; Q32-L36 PolarHBondContact O-N 3.03Å; Q32-L36 VanDerWaalsContact O-N 3.16Å; M33-L36 PolarHBondContact O-N 2.94Å; L36-K38 PolarHBondContact O-N 2.82Å
37A89.3Confident93.8Very high16 Ų1665.4 Ų65.413%0.13236%0.364CS..  trans-66.5124.2178.200000111.6M33 G34 N35 P39 L59M33-A37 WeakPolarHBondContact O-CB 3.31Å; M33-A37 PolarHBondContact O-N 2.8Å; G34-A37 PolarHBondContact O-N 2.82Å; N35-A37 VanDerWaalsContact C-N 3.3Å; A37-P39 WeakPolarHBondContact O-CD 3.29Å; A37-L59 HydrophobicContact CB-CD1 4.05Å
38K89.8Confident93.8Very high159 Ų15967.3 Ų67.369%0.69137%0.37SS*.  trans-113.272.2170.8-61.4-175.9-178-176.60110L11 L36L11-K38 HydrophobicContact CD2-CB 4.37Å; L11-K38 HydrophobicContact CD2-CG 4.38Å; L36-K38 PolarHBondContact O-N 2.82Å
39P92.2Very high93.7Very high16 Ų1662.8 Ų62.810%0.10436%0.36CS..PPolyproline II helixtrans-69.9141.8-175.428.7-35.5000111.6A37 A55 E56A37-P39 WeakPolarHBondContact O-CD 3.29Å; P39-A55 HydrophobicContact CB-CB 4.28Å; P39-E56 CarbonylContact C-O 3.47Å; P39-E56 WeakPolarHBondContact CA-O 3.36Å
40N95.1Very high94Very high36 Ų3660.9 Ų60.919%0.19334%0.342CS..EExtended strand (participates in β ladder)trans-78.6130.4156.8-66.5-52.3000108.5K8 W9 T10 A55 E56K8-N40 HydrophobicContact CG-CB 4.49Å; W9-N40 CarbonylContact O-C 3.58Å; W9-N40 VanDerWaalsContact O-CA 3.26Å; W9-N40 WeakPolarHBondContact O-CA 3.44Å; T10-N40 WeakPolarHBondContact CA-OD1 3.28Å; T10-N40 WeakPolarHBondContact CB-OD1 3.28Å; T10-N40 PolarHBondContact OG1-OD1 2.84Å; N40-A55 WeakPolarHBondContact O-CA 3.32Å; N40-E56 PolarHBondContact N-O 3.33Å; N40-E56 PolarHBondContact O-N 3.19Å
41L96.6Very high94.3Very high12 Ų1258.2 Ų58.26%0.06333%0.325CS..EExtended strand (participates in β ladder)trans-93.1121.4169.2-69177.8000109.1K8 W9 I53 K54 A55 Y130K8-L41 CarbonylContact C-O 3.58Å; K8-L41 WeakPolarHBondContact CA-O 3.34Å; W9-L41 HydrophobicContact CB-CB 4.22Å; W9-L41 PolarHBondContact N-O 2.96Å; W9-L41 PolarHBondContact O-N 2.79Å; L41-I53 HydrophobicContact CD2-CG2 4.44Å; L41-K54 CarbonylContact C-O 3.54Å; L41-K54 WeakPolarHBondContact CA-O 3.42Å; L41-A55 HydrophobicContact CD2-CB 3.7Å; L41-Y130 HydrophobicContact CB-CD1 4.49Å; L41-Y130 HydrophobicContact CB-CE1 4.33Å; L41-Y130 HydrophobicContact CD1-CD1 4.03Å; L41-Y130 HydrophobicContact CD1-CD2 4.18Å; L41-Y130 HydrophobicContact CD1-CE1 3.54Å; L41-Y130 HydrophobicContact CD1-CE2 3.7Å; L41-Y130 HydrophobicContact CD1-CG 4.36Å; L41-Y130 HydrophobicContact CG-CD1 4.15Å; L41-Y130 HydrophobicContact CG-CE1 3.56Å
42I97.8Very high94.4Very high50 Ų5057.8 Ų57.826%0.25633%0.327SS..EExtended strand (participates in β ladder)trans-113.1118.8176.7-59.2155.1000106.8G7 K8 K54G7-I42 WeakPolarHBondContact O-CA 3.36Å; K8-I42 HydrophobicContact CB-CG1 4.31Å; K8-I42 HydrophobicContact CG-CG1 4.01Å; I42-K54 HydrophobicContact CB-CB 4.28Å; I42-K54 HydrophobicContact CD1-CD 4.24Å; I42-K54 PolarHBondContact N-O 2.95Å; I42-K54 PolarHBondContact O-N 2.93Å
43I97.9Very high94.6Very high2 Ų254.1 Ų54.11%0.0131%0.31CS..EExtended strand (participates in β ladder)trans-118.8129-177.5-53.4-179.8000108.4F5 V6 G7 I51 S52 I53 L115F5-I43 HydrophobicContact CB-CD1 4.01Å; F5-I43 HydrophobicContact CB-CG2 4.23Å; F5-I43 WeakPolarHBondContact O-CB 3.41Å; V6-I43 WeakPolarHBondContact CA-O 3.46Å; G7-I43 PolarHBondContact N-O 2.76Å; G7-I43 PolarHBondContact O-N 3.22Å; I43-I51 HydrophobicContact CG2-CG2 4.43Å; I43-S52 WeakPolarHBondContact CA-O 3.45Å; I43-I53 HydrophobicContact CG1-CG1 4.17Å; I43-I53 HydrophobicContact CG1-CG2 4.42Å; I43-I53 HydrophobicContact CG2-CG1 4.31Å; I43-L115 HydrophobicContact CD1-CD1 4.03Å
44S97.8Very high94.8Very high56 Ų5652.7 Ų52.739%0.39230%0.301SS..EExtended strand (participates in β ladder)trans-139156.217862.60000111.1I51 S52S44-I51 WeakPolarHBondContact O-CA 3.29Å; S44-S52 PolarHBondContact N-O 3.43Å; S44-S52 PolarHBondContact O-N 2.96Å
45V97.4Very high94.9Very high49 Ų4952.8 Ų52.830%0.29730%0.3SS..EExtended strand (participates in β ladder)trans-123.9126.9174-172.60000107.2V2 V6 V50 I51V2-V45 HydrophobicContact CG1-CG2 3.92Å; V2-V45 HydrophobicContact CG2-CG2 4.41Å; V6-V45 HydrophobicContact CG2-CG2 3.69Å; V45-V50 WeakPolarHBondContact CA-O 3.39Å; V45-I51 HydrophobicContact CG1-CG1 4.38Å; V45-I51 HydrophobicContact CG2-CG1 4.11Å
46A95.9Very high95Very high48 Ų4852.8 Ų52.840%0.39730%0.298SS..  trans-81.8164.6174.400000111.1D48 G49 V50A46-D48 WeakPolarHBondContact CB-OD1 3.26Å; A46-D48 PolarHBondContact O-N 3.04Å; A46-D48 VanDerWaalsContact O-N 3.15Å; A46-G49 PolarHBondContact O-N 2.86Å; A46-V50 HydrophobicContact CB-CB 4.43Å; A46-V50 PolarHBondContact N-O 2.94Å
47D92.2Very high94.8Very high183 Ų18348.1 Ų48.198%0.97928%0.276SS*.THydrogen-bonded Turntrans-60.9-25.7-177.2-63.6-20000113.3G49D47-G49 VanDerWaalsContact C-N 3.26Å; D47-G49 PolarHBondContact O-N 2.79Å
48D93.3Very high94.6Very high107 Ų10754.5 Ų54.557%0.57231%0.313SS*.THydrogen-bonded Turntrans-86.36.717771.6-12.6000113.7A46 V50A46-D48 WeakPolarHBondContact CB-OD1 3.26Å; A46-D48 PolarHBondContact O-N 3.04Å; A46-D48 VanDerWaalsContact O-N 3.15Å; D48-V50 VanDerWaalsContact C-N 3.33Å; D48-V50 WeakPolarHBondContact OD1-CB 3.42Å; D48-V50 WeakPolarHBondContact OD1-CG2 3.33Å; D48-V50 PolarHBondContact OD1-N 2.86Å; D48-V50 WeakPolarHBondContact OD2-CG2 3.34Å
49G93.1Very high94.2Very high37 Ų3750.9 Ų50.938%0.38130%0.301SS..SBendtrans81.73.5179.600000114.8A46 D47 I51A46-G49 PolarHBondContact O-N 2.86Å; D47-G49 VanDerWaalsContact C-N 3.26Å; D47-G49 PolarHBondContact O-N 2.79Å; G49-I51 PolarHBondContact O-N 3.42Å
50V97.4Very high93.8Very high26 Ų2655.7 Ų55.716%0.15832%0.32CS..  trans-69.1126.8173.8175.10000109.9V45 A46 D48 Q65 K67V45-V50 WeakPolarHBondContact CA-O 3.39Å; A46-V50 HydrophobicContact CB-CB 4.43Å; A46-V50 PolarHBondContact N-O 2.94Å; D48-V50 VanDerWaalsContact C-N 3.33Å; D48-V50 WeakPolarHBondContact OD1-CB 3.42Å; D48-V50 WeakPolarHBondContact OD1-CG2 3.33Å; D48-V50 PolarHBondContact OD1-N 2.86Å; D48-V50 WeakPolarHBondContact OD2-CG2 3.34Å; V50-Q65 HydrophobicContact CG1-CB 4.06Å; V50-K67 HydrophobicContact CG2-CG 4.14Å
51I98.1Very high93.5Very high3 Ų357.4 Ų57.42%0.01533%0.332CS..EExtended strand (participates in β ladder)trans-97.9134.2178.2-59.2151.5000108.4V2 I43 S44 V45 G49 Q65 F66 L68V2-I51 HydrophobicContact CB-CD1 4.45Å; V2-I51 HydrophobicContact CG1-CD1 4.41Å; V2-I51 HydrophobicContact CG2-CD1 3.81Å; V2-I51 HydrophobicContact CG2-CG1 4.11Å; V2-I51 HydrophobicContact CG2-CG2 4.43Å; I43-I51 HydrophobicContact CG2-CG2 4.43Å; S44-I51 WeakPolarHBondContact O-CA 3.29Å; V45-I51 HydrophobicContact CG1-CG1 4.38Å; V45-I51 HydrophobicContact CG2-CG1 4.11Å; G49-I51 PolarHBondContact O-N 3.42Å; I51-Q65 CarbonylContact O-C 3.56Å; I51-Q65 VanDerWaalsContact O-CA 3.27Å; I51-Q65 WeakPolarHBondContact O-CA 3.45Å; I51-F66 HydrophobicContact CB-CD2 4.22Å; I51-F66 HydrophobicContact CB-CE1 4.31Å; I51-F66 HydrophobicContact CB-CE2 3.75Å; I51-F66 HydrophobicContact CB-CZ 3.81Å; I51-F66 HydrophobicContact CD1-CD2 4.24Å; I51-F66 HydrophobicContact CD1-CE2 3.65Å; I51-F66 HydrophobicContact CD1-CZ 4.36Å; I51-F66 HydrophobicContact CG1-CE2 4.34Å; I51-F66 HydrophobicContact CG2-CE1 4Å; I51-F66 HydrophobicContact CG2-CE2 3.89Å; I51-F66 HydrophobicContact CG2-CZ 3.45Å; I51-F66 VanDerWaalsContact CG2-CZ 3.45Å; I51-F66 PolarHBondContact N-O 2.97Å; I51-F66 PolarHBondContact O-N 2.85Å; I51-L68 HydrophobicContact CD1-CD1 4.14Å; I51-L68 HydrophobicContact CD1-CD2 3.8Å; I51-L68 HydrophobicContact CD1-CG 3.57Å
52S97.6Very high93.3Very high22 Ų2259 Ų5915%0.15434%0.342CS..EExtended strand (participates in β ladder)trans-115131.4173.1-175.10000110I43 S44 I64I43-S52 WeakPolarHBondContact CA-O 3.45Å; S44-S52 PolarHBondContact N-O 3.43Å; S44-S52 PolarHBondContact O-N 2.96Å; S52-I64 WeakPolarHBondContact CA-O 3.19Å
53I97.1Very high93.1Very high9 Ų959.8 Ų59.85%0.04635%0.352CS..EExtended strand (participates in β ladder)trans-118.8116.7168.7-60178.4000107.8L41 I43 S63 I64 F66 F86 L93L41-I53 HydrophobicContact CD2-CG2 4.44Å; I43-I53 HydrophobicContact CG1-CG1 4.17Å; I43-I53 HydrophobicContact CG1-CG2 4.42Å; I43-I53 HydrophobicContact CG2-CG1 4.31Å; I53-S63 WeakPolarHBondContact O-CA 3.36Å; I53-I64 HydrophobicContact CB-CD1 4.31Å; I53-I64 HydrophobicContact CB-CG1 3.93Å; I53-I64 PolarHBondContact N-O 3.06Å; I53-I64 PolarHBondContact O-N 2.68Å; I53-F66 HydrophobicContact CD1-CE1 3.69Å; I53-F66 HydrophobicContact CD1-CZ 3.81Å; I53-F66 HydrophobicContact CG1-CE1 3.82Å; I53-F66 HydrophobicContact CG1-CZ 4.17Å; I53-F86 HydrophobicContact CD1-CE1 3.78Å; I53-F86 HydrophobicContact CD1-CZ 4.29Å; I53-L93 HydrophobicContact CD1-CD2 4.15Å
54K96.3Very high93Very high69 Ų6961 Ų6130%0.336%0.358SS..EExtended strand (participates in β ladder)trans-110.6125.8174.6-173.6-172.7-174.8-1630109.7L41 I42 E56 T61 T62L41-K54 CarbonylContact C-O 3.54Å; L41-K54 WeakPolarHBondContact CA-O 3.42Å; I42-K54 HydrophobicContact CB-CB 4.28Å; I42-K54 HydrophobicContact CD1-CD 4.24Å; I42-K54 PolarHBondContact N-O 2.95Å; I42-K54 PolarHBondContact O-N 2.93Å; K54-E56 VanDerWaalsContact CE-OE1 3.29Å; K54-E56 WeakPolarHBondContact CE-OE1 3.38Å; K54-E56 IonicContact NZ-OE1 3.55Å; K54-E56 PolarHBondContact NZ-OE1 3.39Å; K54-T61 HydrophobicContact CD-CG2 4.35Å; K54-T61 HydrophobicContact CG-CG2 4.06Å; K54-T62 CarbonylContact C-O 3.54Å; K54-T62 WeakPolarHBondContact CA-O 3.43Å
55A94.5Very high92.9Very high20 Ų2064.6 Ų64.617%0.16537%0.369CS..EExtended strand (participates in β ladder)trans-105113.5170.100000108.6P39 N40 L41 T61 T62P39-A55 HydrophobicContact CB-CB 4.28Å; N40-A55 WeakPolarHBondContact O-CA 3.32Å; L41-A55 HydrophobicContact CD2-CB 3.7Å; A55-T61 CarbonylContact O-C 3.53Å; A55-T61 VanDerWaalsContact O-CA 3.28Å; A55-T61 WeakPolarHBondContact O-CA 3.27Å; A55-T62 PolarHBondContact N-O 3.45Å; A55-T62 PolarHBondContact O-N 3.43Å
56E93.7Very high93Very high66 Ų6662.7 Ų62.731%0.30836%0.357SS..EExtended strand (participates in β ladder)trans-118.1121-173.1-175.5178.3-61.700110.6P39 N40 K54 T61P39-E56 CarbonylContact C-O 3.47Å; P39-E56 WeakPolarHBondContact CA-O 3.36Å; N40-E56 PolarHBondContact N-O 3.33Å; N40-E56 PolarHBondContact O-N 3.19Å; K54-E56 VanDerWaalsContact CE-OE1 3.29Å; K54-E56 WeakPolarHBondContact CE-OE1 3.38Å; K54-E56 IonicContact NZ-OE1 3.55Å; K54-E56 PolarHBondContact NZ-OE1 3.39Å; E56-T61 HydrophobicContact CB-CG2 4.44Å
57S88.8Confident93Very high25 Ų2564.3 Ų64.318%0.17536%0.355CS..  trans-135.5170.3174.5700000110.5L59 K60S57-L59 PolarHBondContact O-N 2.89Å; S57-L59 PolarHBondContact OG-N 2.8Å; S57-K60 PolarHBondContact N-O 2.86Å; S57-K60 VanDerWaalsContact N-O 3.08Å; S57-K60 PolarHBondContact OG-N 2.94Å; S57-K60 VanDerWaalsContact OG-N 3.11Å; S57-K60 PolarHBondContact OG-O 3.18Å
58T85Confident93.3Very high149 Ų14957.8 Ų57.891%0.91432%0.32SS*.SBendtrans-63.6-20.9173.2530000113.4
59L81.6Confident93.5Very high84 Ų8458.1 Ų58.144%0.4432%0.321SS..SBendtrans-90.9-45.1-176.4-63.2177000112.3M33 A37 S57M33-L59 HydrophobicContact CE-CD1 3.91Å; M33-L59 HydrophobicContact CE-CD2 3.58Å; M33-L59 HydrophobicContact CE-CG 4.23Å; M33-L59 WeakPolarHBondContact O-CD1 3.31Å; A37-L59 HydrophobicContact CB-CD1 4.05Å; S57-L59 PolarHBondContact O-N 2.89Å; S57-L59 PolarHBondContact OG-N 2.8Å
60K82.4Confident93.7Very high117 Ų11761.5 Ų61.551%0.50933%0.327SS..  trans-156.8148.2-175.6-169.6169.8-178.7175.50110.3S57 T62 A77S57-K60 PolarHBondContact N-O 2.86Å; S57-K60 VanDerWaalsContact N-O 3.08Å; S57-K60 PolarHBondContact OG-N 2.94Å; S57-K60 VanDerWaalsContact OG-N 3.11Å; S57-K60 PolarHBondContact OG-O 3.18Å; K60-T62 HydrophobicContact CD-CG2 4.25Å; K60-T62 HydrophobicContact CG-CG2 4.24Å; K60-A77 PolarHBondContact NZ-O 2.52Å
61T90.4Very high93.8Very high72 Ų7266 Ų6644%0.44235%0.346SS..EExtended strand (participates in β ladder)trans-115.8130.9167.8-62.80000108.9K54 A55 E56K54-T61 HydrophobicContact CD-CG2 4.35Å; K54-T61 HydrophobicContact CG-CG2 4.06Å; A55-T61 CarbonylContact O-C 3.53Å; A55-T61 VanDerWaalsContact O-CA 3.28Å; A55-T61 WeakPolarHBondContact O-CA 3.27Å; E56-T61 HydrophobicContact CB-CG2 4.44Å
62T91.3Very high93.8Very high45 Ų4568 Ų6828%0.27636%0.355SS..EExtended strand (participates in β ladder)trans-124.2147.4171.459.10000109.4K54 A55 K60 A77K54-T62 CarbonylContact C-O 3.54Å; K54-T62 WeakPolarHBondContact CA-O 3.43Å; A55-T62 PolarHBondContact N-O 3.45Å; A55-T62 PolarHBondContact O-N 3.43Å; K60-T62 HydrophobicContact CD-CG2 4.25Å; K60-T62 HydrophobicContact CG-CG2 4.24Å; T62-A77 HydrophobicContact CG2-CB 3.9Å
63S93.6Very high93.7Very high67 Ų6772.8 Ų72.847%0.46938%0.379SS..EExtended strand (participates in β ladder)trans-140.5138.7176.9-162.90000109.1I53I53-S63 WeakPolarHBondContact O-CA 3.36Å
64I95.6Very high93.6Very high27 Ų2773.1 Ų73.114%0.13838%0.381CS..EExtended strand (participates in β ladder)trans-128.3145.6172.457.8174.5000108.8S52 I53 F66 E74 F86S52-I64 WeakPolarHBondContact CA-O 3.19Å; I53-I64 HydrophobicContact CB-CD1 4.31Å; I53-I64 HydrophobicContact CB-CG1 3.93Å; I53-I64 PolarHBondContact N-O 3.06Å; I53-I64 PolarHBondContact O-N 2.68Å; I64-F66 HydrophobicContact CD1-CD1 4.28Å; I64-F66 HydrophobicContact CD1-CE1 4.22Å; I64-F66 HydrophobicContact CG1-CD1 4.33Å; I64-F66 HydrophobicContact CG1-CE1 4.39Å; I64-E74 HydrophobicContact CG2-CG 4.03Å; I64-F86 HydrophobicContact CD1-CE1 4.49Å; I64-F86 HydrophobicContact CD1-CE2 3.85Å; I64-F86 HydrophobicContact CD1-CZ 3.42Å; I64-F86 VanDerWaalsContact CD1-CZ 3.42Å
65Q96.9Very high93.5Very high132 Ų13274.6 Ų74.662%0.61740%0.396SS*.EExtended strand (participates in β ladder)trans-126.7135.7173.4-65.2-177.430.500108.5V50 I51V50-Q65 HydrophobicContact CG1-CB 4.06Å; I51-Q65 CarbonylContact O-C 3.56Å; I51-Q65 VanDerWaalsContact O-CA 3.27Å; I51-Q65 WeakPolarHBondContact O-CA 3.45Å
66F97.6Very high93.2Very high9 Ų974 Ų744%0.03939%0.389CS..EExtended strand (participates in β ladder)trans-155.4164.6-174.960.4-90.9000111.3I51 I53 I64 L68 F72 F86I51-F66 HydrophobicContact CB-CD2 4.22Å; I51-F66 HydrophobicContact CB-CE1 4.31Å; I51-F66 HydrophobicContact CB-CE2 3.75Å; I51-F66 HydrophobicContact CB-CZ 3.81Å; I51-F66 HydrophobicContact CD1-CD2 4.24Å; I51-F66 HydrophobicContact CD1-CE2 3.65Å; I51-F66 HydrophobicContact CD1-CZ 4.36Å; I51-F66 HydrophobicContact CG1-CE2 4.34Å; I51-F66 HydrophobicContact CG2-CE1 4Å; I51-F66 HydrophobicContact CG2-CE2 3.89Å; I51-F66 HydrophobicContact CG2-CZ 3.45Å; I51-F66 VanDerWaalsContact CG2-CZ 3.45Å; I51-F66 PolarHBondContact N-O 2.97Å; I51-F66 PolarHBondContact O-N 2.85Å; I53-F66 HydrophobicContact CD1-CE1 3.69Å; I53-F66 HydrophobicContact CD1-CZ 3.81Å; I53-F66 HydrophobicContact CG1-CE1 3.82Å; I53-F66 HydrophobicContact CG1-CZ 4.17Å; I64-F66 HydrophobicContact CD1-CD1 4.28Å; I64-F66 HydrophobicContact CD1-CE1 4.22Å; I64-F66 HydrophobicContact CG1-CD1 4.33Å; I64-F66 HydrophobicContact CG1-CE1 4.39Å; F66-L68 HydrophobicContact CE2-CD2 4.2Å; F66-F72 HydrophobicContact CB-CD1 3.92Å; F66-F72 HydrophobicContact CB-CE1 3.51Å; F66-F72 HydrophobicContact CB-CZ 3.99Å; F66-F72 HydrophobicContact CG-CE1 4.28Å; F66-F86 HydrophobicContact CB-CD2 4.26Å; F66-F86 AromaticContact CD1-CD2 3.75Å; F66-F86 HydrophobicContact CD1-CD2 3.75Å; F66-F86 HydrophobicContact CD1-CE1 4.41Å; F66-F86 AromaticContact CD1-CE2 3.65Å; F66-F86 HydrophobicContact CD1-CE2 3.65Å; F66-F86 HydrophobicContact CD1-CG 4.19Å; F66-F86 AromaticContact CD1-CZ 3.99Å; F66-F86 HydrophobicContact CD1-CZ 3.99Å; F66-F86 HydrophobicContact CD2-CB 3.49Å; F66-F86 VanDerWaalsContact CD2-CB 3.49Å; F66-F86 HydrophobicContact CD2-CD1 4.22Å; F66-F86 AromaticContact CD2-CD2 3.6Å; F66-F86 HydrophobicContact CD2-CD2 3.6Å; F66-F86 HydrophobicContact CD2-CE2 4.36Å; F66-F86 AromaticContact CD2-CG 3.52Å; F66-F86 HydrophobicContact CD2-CG 3.52Å; F66-F86 AromaticContact CE1-CD1 3.88Å; F66-F86 HydrophobicContact CE1-CD1 3.88Å; F66-F86 AromaticContact CE1-CD2 3.92Å; F66-F86 HydrophobicContact CE1-CD2 3.92Å; F66-F86 AromaticContact CE1-CE1 3.67Å; F66-F86 HydrophobicContact CE1-CE1 3.67Å; F66-F86 AromaticContact CE1-CE2 3.75Å; F66-F86 HydrophobicContact CE1-CE2 3.75Å; F66-F86 AromaticContact CE1-CG 3.98Å; F66-F86 HydrophobicContact CE1-CG 3.98Å; F66-F86 AromaticContact CE1-CZ 3.61Å; F66-F86 HydrophobicContact CE1-CZ 3.61Å; F66-F86 HydrophobicContact CE2-CB 3.33Å; F66-F86 AromaticContact CE2-CD1 3.53Å; F66-F86 HydrophobicContact CE2-CD1 3.53Å; F66-F86 AromaticContact CE2-CD2 3.79Å; F66-F86 HydrophobicContact CE2-CD2 3.79Å; F66-F86 HydrophobicContact CE2-CE1 4.2Å; F66-F86 HydrophobicContact CE2-CE2 4.45Å; F66-F86 AromaticContact CE2-CG 3.26Å; F66-F86 HydrophobicContact CE2-CG 3.26Å; F66-F86 HydrophobicContact CG-CB 4.35Å; F66-F86 AromaticContact CG-CD2 3.58Å; F66-F86 HydrophobicContact CG-CD2 3.58Å; F66-F86 AromaticContact CG-CE2 3.97Å; F66-F86 HydrophobicContact CG-CE2 3.97Å; F66-F86 AromaticContact CG-CG 3.98Å; F66-F86 HydrophobicContact CG-CG 3.98Å; F66-F86 HydrophobicContact CZ-CB 4.08Å; F66-F86 AromaticContact CZ-CD1 3.32Å; F66-F86 HydrophobicContact CZ-CD1 3.32Å; F66-F86 AromaticContact CZ-CD2 3.94Å; F66-F86 HydrophobicContact CZ-CD2 3.94Å; F66-F86 AromaticContact CZ-CE1 3.54Å; F66-F86 HydrophobicContact CZ-CE1 3.54Å; F66-F86 HydrophobicContact CZ-CE2 4.16Å; F66-F86 AromaticContact CZ-CG 3.51Å; F66-F86 HydrophobicContact CZ-CG 3.51Å; F66-F86 AromaticContact CZ-CZ 3.96Å; F66-F86 HydrophobicContact CZ-CZ 3.96Å
67K97.6Very high92.8Very high81 Ų8173.3 Ų73.335%0.35240%0.396SS..  trans-109.6149.1165-70.9-178.5176.1-178.10109.2V50 E70V50-K67 HydrophobicContact CG2-CG 4.14Å; K67-E70 HydrophobicContact CB-CB 4.19Å; K67-E70 HydrophobicContact CB-CG 4.09Å; K67-E70 VanDerWaalsContact CD-OE1 3.31Å; K67-E70 WeakPolarHBondContact CD-OE1 3.46Å; K67-E70 PolarHBondContact O-N 2.82Å
68L97.6Very high92.6Very high47 Ų4774.3 Ų74.325%0.24640%0.399CS..BIsolated β-bridgetrans-64.9140.3176.8-66.4175.3000110.1I51 F66 E70 F86 L88 L93I51-L68 HydrophobicContact CD1-CD1 4.14Å; I51-L68 HydrophobicContact CD1-CD2 3.8Å; I51-L68 HydrophobicContact CD1-CG 3.57Å; F66-L68 HydrophobicContact CE2-CD2 4.2Å; L68-E70 PolarHBondContact O-N 2.98Å; L68-F86 CarbonylContact C-O 3.53Å; L68-F86 WeakPolarHBondContact CA-O 3.33Å; L68-F86 HydrophobicContact CD2-CB 4.03Å; L68-L88 HydrophobicContact CD1-CB 4.31Å; L68-L93 HydrophobicContact CD2-CD1 3.81Å
69N97.8Very high92.7Very high113 Ų11369.5 Ų69.560%0.60438%0.379SS*.THydrogen-bonded Turntrans64.314.6179.5-43.1-68.4000114.7F86N69-F86 PolarHBondContact N-O 3.36Å
70E98.1Very high93.2Very high108 Ų10867.4 Ų67.451%0.50537%0.365SS..  trans-112125.1173.6-66.2-178.6-152.300109.4K67 L68K67-E70 HydrophobicContact CB-CB 4.19Å; K67-E70 HydrophobicContact CB-CG 4.09Å; K67-E70 VanDerWaalsContact CD-OE1 3.31Å; K67-E70 WeakPolarHBondContact CD-OE1 3.46Å; K67-E70 PolarHBondContact O-N 2.82Å; L68-E70 PolarHBondContact O-N 2.98Å
71E98.1Very high93.7Very high120 Ų12067.7 Ų67.756%0.56137%0.372SS*.  trans-78.2140.8174.9-170.4-179.681.100110.4K83 S84E71-K83 HydrophobicContact CG-CB 4.19Å; E71-K83 WeakPolarHBondContact OE1-CD 3.36Å; E71-K83 IonicContact OE1-NZ 3.38Å; E71-S84 WeakPolarHBondContact CA-O 3.42Å
72F97.6Very high94Very high46 Ų4664.5 Ų64.520%0.20235%0.353CS..EExtended strand (participates in β ladder)trans-143.3160.2176.869.8-77.1000111.3F66 E74 S84 F86F66-F72 HydrophobicContact CB-CD1 3.92Å; F66-F72 HydrophobicContact CB-CE1 3.51Å; F66-F72 HydrophobicContact CB-CZ 3.99Å; F66-F72 HydrophobicContact CG-CE1 4.28Å; F72-E74 HydrophobicContact CD2-CB 4.41Å; F72-E74 HydrophobicContact CE2-CB 3.81Å; F72-E74 HydrophobicContact CE2-CG 4.2Å; F72-E74 HydrophobicContact CZ-CB 4.37Å; F72-S84 WeakPolarHBondContact CD1-O 3.3Å; F72-S84 WeakPolarHBondContact CE1-O 3.18Å; F72-S84 PolarHBondContact N-O 3.48Å; F72-S84 PolarHBondContact O-N 3.42Å; F72-F86 AromaticContact CE1-CD2 3.9Å; F72-F86 HydrophobicContact CE1-CD2 3.9Å; F72-F86 AromaticContact CE1-CE2 3.94Å; F72-F86 HydrophobicContact CE1-CE2 3.94Å; F72-F86 HydrophobicContact CZ-CD2 4.38Å; F72-F86 AromaticContact CZ-CE2 3.95Å; F72-F86 HydrophobicContact CZ-CE2 3.95Å
73D97Very high94.3Very high122 Ų12266.7 Ų66.765%0.65236%0.359SS*.EExtended strand (participates in β ladder)trans-81.1127.1173.3-61.9-47.6000110.1K83D73-K83 IonicContact OD1-NZ 3.09Å; D73-K83 PolarHBondContact OD1-NZ 2.97Å
74E94.4Very high94.6Very high17 Ų1763.5 Ų63.58%0.07934%0.337CS..EExtended strand (participates in β ladder)trans-119.5126.3-178.7-173.1-174.3164.500110.4I64 F72 T76 A82 S84 Q95 Q97I64-E74 HydrophobicContact CG2-CG 4.03Å; F72-E74 HydrophobicContact CD2-CB 4.41Å; F72-E74 HydrophobicContact CE2-CB 3.81Å; F72-E74 HydrophobicContact CE2-CG 4.2Å; F72-E74 HydrophobicContact CZ-CB 4.37Å; E74-T76 HydrophobicContact CG-CG2 4.49Å; E74-A82 PolarHBondContact N-O 2.86Å; E74-A82 PolarHBondContact O-N 3.47Å; E74-S84 VanDerWaalsContact OE2-CB 3.22Å; E74-S84 WeakPolarHBondContact OE2-CB 3.39Å; E74-S84 PolarHBondContact OE2-OG 3.16Å; E74-Q95 PolarHBondContact OE2-NE2 3.48Å; E74-Q97 PolarHBondContact OE1-NE2 2.97Å; E74-Q97 PolarHBondContact OE2-NE2 3.35Å
75T93.3Very high94.7Very high100 Ų10064.4 Ų64.461%0.61334%0.341SS*.EExtended strand (participates in β ladder)trans-87.6106.6160.2-56.10000109N81T75-N81 PolarHBondContact OG1-OD1 3.09Å
76T88.8Confident94.8Very high6 Ų658.1 Ų58.14%0.03731%0.312CS..  trans-67.6166.1-176.759.10000112.7E74 D78 G79 R80 A82E74-T76 HydrophobicContact CG-CG2 4.49Å; T76-D78 WeakPolarHBondContact CB-OD1 3.34Å; T76-D78 PolarHBondContact O-N 2.81Å; T76-D78 VanDerWaalsContact O-N 3.15Å; T76-D78 PolarHBondContact OG1-OD1 3.02Å; T76-G79 PolarHBondContact O-N 3.29Å; T76-R80 PolarHBondContact N-O 3.34Å; T76-R80 WeakPolarHBondContact OG1-CA 3.39Å; T76-R80 WeakPolarHBondContact OG1-CB 3.42Å; T76-R80 PolarHBondContact OG1-N 2.83Å; T76-R80 PolarHBondContact OG1-O 3.05Å; T76-A82 HydrophobicContact CG2-CB 4.2Å
77A84.8Confident94.8Very high53 Ų5358.9 Ų58.944%0.43832%0.317SS..THydrogen-bonded Turntrans-59.3-28.7-178.500000113.8K60 T62K60-A77 PolarHBondContact NZ-O 2.52Å; T62-A77 HydrophobicContact CG2-CB 3.9Å
78D84.8Confident94.8Very high46 Ų4658 Ų5825%0.24632%0.316CS..THydrogen-bonded Turntrans-91.75.9174.656.4-44000114.4M26 T30 T76 R80M26-D78 HydrophobicContact CE-CB 3.42Å; M26-D78 VanDerWaalsContact CE-CB 3.42Å; M26-D78 HydrophobicContact CG-CB 3.97Å; M26-D78 HydrophobicContact SD-CB 4.1Å; T30-D78 HydrophobicContact CG2-CB 4.41Å; T76-D78 WeakPolarHBondContact CB-OD1 3.34Å; T76-D78 PolarHBondContact O-N 2.81Å; T76-D78 VanDerWaalsContact O-N 3.15Å; T76-D78 PolarHBondContact OG1-OD1 3.02Å; D78-R80 IonicContact OD1-CZ 2.68Å; D78-R80 IonicContact OD1-NE 3.89Å; D78-R80 PolarHBondContact OD1-NE 2.96Å; D78-R80 IonicContact OD1-NH2 2.86Å; D78-R80 PolarHBondContact OD1-NH2 2.88Å; D78-R80 IonicContact OD2-CZ 2.76Å; D78-R80 IonicContact OD2-NE 3.69Å; D78-R80 PolarHBondContact OD2-NE 2.93Å; D78-R80 IonicContact OD2-NH2 3.98Å; D78-R80 PolarHBondContact OD2-NH2 2.86Å
79G87.8Confident94.7Very high48 Ų4860.5 Ų60.550%0.49533%0.327SS..SBendtrans86.26.6171.800000115.1T76T76-G79 PolarHBondContact O-N 3.29Å
80R91.4Very high94.5Very high40 Ų4063 Ų6315%0.15134%0.34CS..  trans-69.8139.3169-63.5173.6-73.7122.713.5109.9T76 D78 W99T76-R80 PolarHBondContact N-O 3.34Å; T76-R80 WeakPolarHBondContact OG1-CA 3.39Å; T76-R80 WeakPolarHBondContact OG1-CB 3.42Å; T76-R80 PolarHBondContact OG1-N 2.83Å; T76-R80 PolarHBondContact OG1-O 3.05Å; D78-R80 IonicContact OD1-CZ 2.68Å; D78-R80 IonicContact OD1-NE 3.89Å; D78-R80 PolarHBondContact OD1-NE 2.96Å; D78-R80 IonicContact OD1-NH2 2.86Å; D78-R80 PolarHBondContact OD1-NH2 2.88Å; D78-R80 IonicContact OD2-CZ 2.76Å; D78-R80 IonicContact OD2-NE 3.69Å; D78-R80 PolarHBondContact OD2-NE 2.93Å; D78-R80 IonicContact OD2-NH2 3.98Å; D78-R80 PolarHBondContact OD2-NH2 2.86Å; R80-W99 VanDerWaalsContact NH1-CE2 3.3Å
81N94.1Very high94.4Very high123 Ų12359.4 Ų59.466%0.65833%0.332SS*.EExtended strand (participates in β ladder)trans-88.1115.7165.8-64.7-38.5000108.2T75T75-N81 PolarHBondContact OG1-OD1 3.09Å
82A96.4Very high94.4Very high5 Ų555.8 Ų55.84%0.04131%0.314CS..EExtended strand (participates in β ladder)trans-125.3159.5-17900000110.4E74 T76 Q97 S98 W99E74-A82 PolarHBondContact N-O 2.86Å; E74-A82 PolarHBondContact O-N 3.47Å; T76-A82 HydrophobicContact CG2-CB 4.2Å; A82-Q97 HydrophobicContact CB-CB 4.23Å; A82-S98 WeakPolarHBondContact CA-O 3.22Å; A82-W99 HydrophobicContact CB-CB 4.2Å
83K98Very high94.4Very high90 Ų9053.6 Ų53.639%0.39131%0.305SS..EExtended strand (participates in β ladder)trans-93.1129.2162.2-71.1-172.5165.5-58.20108.9E71 D73 Q97 S98E71-K83 HydrophobicContact CG-CB 4.19Å; E71-K83 WeakPolarHBondContact OE1-CD 3.36Å; E71-K83 IonicContact OE1-NZ 3.38Å; D73-K83 IonicContact OD1-NZ 3.09Å; D73-K83 PolarHBondContact OD1-NZ 2.97Å; K83-Q97 CarbonylContact O-C 3.57Å; K83-Q97 WeakPolarHBondContact O-CA 3.36Å; K83-S98 PolarHBondContact N-O 3.11Å; K83-S98 PolarHBondContact O-N 3.24Å
84S98.3Very high94.5Very high0 Ų049 Ų490%028%0.28CS..EExtended strand (participates in β ladder)trans-125.3140.9-174.9-70.40000111.4E71 F72 E74 K96 Q97E71-S84 WeakPolarHBondContact CA-O 3.42Å; F72-S84 WeakPolarHBondContact CD1-O 3.3Å; F72-S84 WeakPolarHBondContact CE1-O 3.18Å; F72-S84 PolarHBondContact N-O 3.48Å; F72-S84 PolarHBondContact O-N 3.42Å; E74-S84 VanDerWaalsContact OE2-CB 3.22Å; E74-S84 WeakPolarHBondContact OE2-CB 3.39Å; E74-S84 PolarHBondContact OE2-OG 3.16Å; S84-K96 VanDerWaalsContact CA-O 3.29Å; S84-K96 WeakPolarHBondContact CA-O 3.49Å; S84-Q97 WeakPolarHBondContact OG-CG 3.29Å
85I98.6Very high94.7Very high46 Ų4648.4 Ų48.424%0.23628%0.277CS..EExtended strand (participates in β ladder)trans-135.8139.9172.5-174.6169.9000109T87 Q95 K96I85-T87 HydrophobicContact CD1-CG2 4.45Å; I85-T87 HydrophobicContact CG1-CG2 4.34Å; I85-Q95 WeakPolarHBondContact O-CA 3.32Å; I85-K96 HydrophobicContact CG2-CB 3.95Å; I85-K96 PolarHBondContact N-O 2.89Å; I85-K96 PolarHBondContact O-N 3.13Å
86F98.5Very high94.9Very high0 Ų048.5 Ų48.50%027%0.269CS..EExtended strand (participates in β ladder)trans-111.8131.3173.4-75.4-105.6000110.5I53 I64 F66 L68 N69 F72 L93 M94 Q95I53-F86 HydrophobicContact CD1-CE1 3.78Å; I53-F86 HydrophobicContact CD1-CZ 4.29Å; I64-F86 HydrophobicContact CD1-CE1 4.49Å; I64-F86 HydrophobicContact CD1-CE2 3.85Å; I64-F86 HydrophobicContact CD1-CZ 3.42Å; I64-F86 VanDerWaalsContact CD1-CZ 3.42Å; F66-F86 HydrophobicContact CB-CD2 4.26Å; F66-F86 AromaticContact CD1-CD2 3.75Å; F66-F86 HydrophobicContact CD1-CD2 3.75Å; F66-F86 HydrophobicContact CD1-CE1 4.41Å; F66-F86 AromaticContact CD1-CE2 3.65Å; F66-F86 HydrophobicContact CD1-CE2 3.65Å; F66-F86 HydrophobicContact CD1-CG 4.19Å; F66-F86 AromaticContact CD1-CZ 3.99Å; F66-F86 HydrophobicContact CD1-CZ 3.99Å; F66-F86 HydrophobicContact CD2-CB 3.49Å; F66-F86 VanDerWaalsContact CD2-CB 3.49Å; F66-F86 HydrophobicContact CD2-CD1 4.22Å; F66-F86 AromaticContact CD2-CD2 3.6Å; F66-F86 HydrophobicContact CD2-CD2 3.6Å; F66-F86 HydrophobicContact CD2-CE2 4.36Å; F66-F86 AromaticContact CD2-CG 3.52Å; F66-F86 HydrophobicContact CD2-CG 3.52Å; F66-F86 AromaticContact CE1-CD1 3.88Å; F66-F86 HydrophobicContact CE1-CD1 3.88Å; F66-F86 AromaticContact CE1-CD2 3.92Å; F66-F86 HydrophobicContact CE1-CD2 3.92Å; F66-F86 AromaticContact CE1-CE1 3.67Å; F66-F86 HydrophobicContact CE1-CE1 3.67Å; F66-F86 AromaticContact CE1-CE2 3.75Å; F66-F86 HydrophobicContact CE1-CE2 3.75Å; F66-F86 AromaticContact CE1-CG 3.98Å; F66-F86 HydrophobicContact CE1-CG 3.98Å; F66-F86 AromaticContact CE1-CZ 3.61Å; F66-F86 HydrophobicContact CE1-CZ 3.61Å; F66-F86 HydrophobicContact CE2-CB 3.33Å; F66-F86 AromaticContact CE2-CD1 3.53Å; F66-F86 HydrophobicContact CE2-CD1 3.53Å; F66-F86 AromaticContact CE2-CD2 3.79Å; F66-F86 HydrophobicContact CE2-CD2 3.79Å; F66-F86 HydrophobicContact CE2-CE1 4.2Å; F66-F86 HydrophobicContact CE2-CE2 4.45Å; F66-F86 AromaticContact CE2-CG 3.26Å; F66-F86 HydrophobicContact CE2-CG 3.26Å; F66-F86 HydrophobicContact CG-CB 4.35Å; F66-F86 AromaticContact CG-CD2 3.58Å; F66-F86 HydrophobicContact CG-CD2 3.58Å; F66-F86 AromaticContact CG-CE2 3.97Å; F66-F86 HydrophobicContact CG-CE2 3.97Å; F66-F86 AromaticContact CG-CG 3.98Å; F66-F86 HydrophobicContact CG-CG 3.98Å; F66-F86 HydrophobicContact CZ-CB 4.08Å; F66-F86 AromaticContact CZ-CD1 3.32Å; F66-F86 HydrophobicContact CZ-CD1 3.32Å; F66-F86 AromaticContact CZ-CD2 3.94Å; F66-F86 HydrophobicContact CZ-CD2 3.94Å; F66-F86 AromaticContact CZ-CE1 3.54Å; F66-F86 HydrophobicContact CZ-CE1 3.54Å; F66-F86 HydrophobicContact CZ-CE2 4.16Å; F66-F86 AromaticContact CZ-CG 3.51Å; F66-F86 HydrophobicContact CZ-CG 3.51Å; F66-F86 AromaticContact CZ-CZ 3.96Å; F66-F86 HydrophobicContact CZ-CZ 3.96Å; L68-F86 CarbonylContact C-O 3.53Å; L68-F86 WeakPolarHBondContact CA-O 3.33Å; L68-F86 HydrophobicContact CD2-CB 4.03Å; N69-F86 PolarHBondContact N-O 3.36Å; F72-F86 AromaticContact CE1-CD2 3.9Å; F72-F86 HydrophobicContact CE1-CD2 3.9Å; F72-F86 AromaticContact CE1-CE2 3.94Å; F72-F86 HydrophobicContact CE1-CE2 3.94Å; F72-F86 HydrophobicContact CZ-CD2 4.38Å; F72-F86 AromaticContact CZ-CE2 3.95Å; F72-F86 HydrophobicContact CZ-CE2 3.95Å; F86-L93 HydrophobicContact CB-CD1 4.43Å; F86-L93 HydrophobicContact CD1-CD1 4.02Å; F86-L93 HydrophobicContact CD1-CD2 4.41Å; F86-L93 HydrophobicContact CD1-CG 4.14Å; F86-M94 CarbonylContact C-O 3.56Å; F86-M94 WeakPolarHBondContact CA-O 3.35Å; F86-Q95 HydrophobicContact CD1-CB 3.78Å; F86-Q95 HydrophobicContact CD1-CG 4.24Å; F86-Q95 HydrophobicContact CD2-CG 4.24Å; F86-Q95 HydrophobicContact CE1-CB 3.48Å; F86-Q95 VanDerWaalsContact CE1-CB 3.48Å; F86-Q95 HydrophobicContact CE1-CG 3.69Å; F86-Q95 HydrophobicContact CE2-CB 4.27Å; F86-Q95 HydrophobicContact CE2-CG 3.64Å; F86-Q95 HydrophobicContact CG-CB 4.33Å; F86-Q95 HydrophobicContact CZ-CB 3.75Å; F86-Q95 HydrophobicContact CZ-CG 3.35Å
87T98.2Very high95.3Very high26 Ų2648.7 Ų48.716%0.1627%0.269CS..EExtended strand (participates in β ladder)trans-127156.7175.859.50000109.8I85 E89 M94I85-T87 HydrophobicContact CD1-CG2 4.45Å; I85-T87 HydrophobicContact CG1-CG2 4.34Å; T87-E89 PolarHBondContact OG1-OE1 3.18Å; T87-M94 PolarHBondContact N-O 3.49Å; T87-M94 PolarHBondContact O-N 2.91Å; T87-M94 WeakPolarHBondContact OG1-CB 3.29Å
88L97.4Very high96Very high63 Ų6348 Ų4833%0.3326%0.261SS..EExtended strand (participates in β ladder)trans-110.3111.2171.9-168.278.4000108.5F5 L68 K92 L93F5-L88 HydrophobicContact CE2-CD1 4.01Å; L68-L88 HydrophobicContact CD1-CB 4.31Å; L88-K92 CarbonylContact C-O 3.6Å; L88-K92 WeakPolarHBondContact CA-O 3.45Å; L88-L93 HydrophobicContact CD1-CB 4.48Å
89E95.9Very high96.5Very high98 Ų9846.8 Ų46.846%0.45825%0.253SS..EExtended strand (participates in β ladder)trans-125.5118-173.4-68175-154.900109.2T87 G91 K92 M94T87-E89 PolarHBondContact OG1-OE1 3.18Å; E89-G91 PolarHBondContact O-N 3.27Å; E89-G91 VanDerWaalsContact O-N 3.09Å; E89-K92 PolarHBondContact N-O 3.34Å; E89-K92 WeakPolarHBondContact O-CA 3.2Å; E89-K92 WeakPolarHBondContact O-CB 3.3Å; E89-K92 PolarHBondContact O-N 2.86Å; E89-M94 HydrophobicContact CB-CG 3.99Å; E89-M94 HydrophobicContact CG-CG 4.17Å
90N93.9Very high96.8Very high167 Ų16753.1 Ų53.189%0.89327%0.27SS*.THydrogen-bonded Turntrans51.236.9179.1-56.7-42000113.9K92N90-K92 VanDerWaalsContact C-N 3.29Å; N90-K92 PolarHBondContact O-N 3.29Å
91G94.6Very high97Very high32 Ų3255.5 Ų55.533%0.3331%0.307SS..THydrogen-bonded Turntrans812.4-177.900000114.9Q4 E89Q4-G91 PolarHBondContact NE2-O 2.87Å; E89-G91 PolarHBondContact O-N 3.27Å; E89-G91 VanDerWaalsContact O-N 3.09Å
92K97.9Very high97Very high43 Ų4354.1 Ų54.119%0.18730%0.295CS..EExtended strand (participates in β ladder)trans-100.7138.2176.2-53.6-171.2177.6-149.30110.6L88 E89 N90 M94 E107 R108 E109L88-K92 CarbonylContact C-O 3.6Å; L88-K92 WeakPolarHBondContact CA-O 3.45Å; E89-K92 PolarHBondContact N-O 3.34Å; E89-K92 WeakPolarHBondContact O-CA 3.2Å; E89-K92 WeakPolarHBondContact O-CB 3.3Å; E89-K92 PolarHBondContact O-N 2.86Å; N90-K92 VanDerWaalsContact C-N 3.29Å; N90-K92 PolarHBondContact O-N 3.29Å; K92-M94 HydrophobicContact CB-SD 3.99Å; K92-M94 PolarHBondContact O-N 3.24Å; K92-E107 HydrophobicContact CB-CG 4.31Å; K92-E107 HydrophobicContact CD-CG 3.83Å; K92-E107 WeakPolarHBondContact CD-OE1 3.3Å; K92-E107 IonicContact NZ-OE1 3.46Å; K92-E107 PolarHBondContact NZ-OE1 3.38Å; K92-R108 CarbonylContact C-O 3.51Å; K92-R108 WeakPolarHBondContact CA-O 3.34Å; K92-E109 VanDerWaalsContact CE-CD 3.43Å; K92-E109 WeakPolarHBondContact CE-OE1 3.32Å; K92-E109 VanDerWaalsContact CE-OE2 3.26Å; K92-E109 WeakPolarHBondContact CE-OE2 3.44Å; K92-E109 HydrophobicContact CG-CB 4.35Å; K92-E109 IonicContact NZ-OE1 3.76Å; K92-E109 IonicContact NZ-OE2 3.47Å; K92-E109 PolarHBondContact NZ-OE2 2.96Å
93L98.4Very high97.1Very high0 Ų056.4 Ų56.40%031%0.309CS..EExtended strand (participates in β ladder)trans-88.7105.4172.8178.766.3000108.2F5 I53 L68 F86 L88 R108F5-L93 HydrophobicContact CD2-CB 4.11Å; F5-L93 HydrophobicContact CE1-CB 4.11Å; F5-L93 HydrophobicContact CE2-CB 3.64Å; F5-L93 HydrophobicContact CZ-CB 3.66Å; I53-L93 HydrophobicContact CD1-CD2 4.15Å; L68-L93 HydrophobicContact CD2-CD1 3.81Å; F86-L93 HydrophobicContact CB-CD1 4.43Å; F86-L93 HydrophobicContact CD1-CD1 4.02Å; F86-L93 HydrophobicContact CD1-CD2 4.41Å; F86-L93 HydrophobicContact CD1-CG 4.14Å; L88-L93 HydrophobicContact CD1-CB 4.48Å; L93-R108 HydrophobicContact CB-CB 4.27Å; L93-R108 PolarHBondContact N-O 2.69Å; L93-R108 PolarHBondContact O-N 2.85Å
94M98.4Very high97.1Very high27 Ų2752.1 Ų52.113%0.13329%0.29CS..EExtended strand (participates in β ladder)trans-92.2136.5179.7-54-56.4-71.300109.1F86 T87 E89 K92 T105 E107F86-M94 CarbonylContact C-O 3.56Å; F86-M94 WeakPolarHBondContact CA-O 3.35Å; T87-M94 PolarHBondContact N-O 3.49Å; T87-M94 PolarHBondContact O-N 2.91Å; T87-M94 WeakPolarHBondContact OG1-CB 3.29Å; E89-M94 HydrophobicContact CB-CG 3.99Å; E89-M94 HydrophobicContact CG-CG 4.17Å; K92-M94 HydrophobicContact CB-SD 3.99Å; K92-M94 PolarHBondContact O-N 3.24Å; M94-T105 HydrophobicContact CE-CG2 3.76Å; M94-E107 HydrophobicContact CE-CB 3.89Å; M94-E107 HydrophobicContact CE-CG 4.23Å; M94-E107 HydrophobicContact SD-CB 3.77Å; M94-E107 HydrophobicContact SD-CG 3.66Å
95Q98.3Very high97.1Very high4 Ų454 Ų542%0.01930%0.302CS..EExtended strand (participates in β ladder)trans-124.5121.7170.6175-178.45.400107.6E74 I85 F86 Q97 T105 L106E74-Q95 PolarHBondContact OE2-NE2 3.48Å; I85-Q95 WeakPolarHBondContact O-CA 3.32Å; F86-Q95 HydrophobicContact CD1-CB 3.78Å; F86-Q95 HydrophobicContact CD1-CG 4.24Å; F86-Q95 HydrophobicContact CD2-CG 4.24Å; F86-Q95 HydrophobicContact CE1-CB 3.48Å; F86-Q95 VanDerWaalsContact CE1-CB 3.48Å; F86-Q95 HydrophobicContact CE1-CG 3.69Å; F86-Q95 HydrophobicContact CE2-CB 4.27Å; F86-Q95 HydrophobicContact CE2-CG 3.64Å; F86-Q95 HydrophobicContact CG-CB 4.33Å; F86-Q95 HydrophobicContact CZ-CB 3.75Å; F86-Q95 HydrophobicContact CZ-CG 3.35Å; Q95-Q97 HydrophobicContact CG-CG 4.14Å; Q95-Q97 VanDerWaalsContact NE2-NE2 3.16Å; Q95-T105 CarbonylContact O-C 3.48Å; Q95-T105 WeakPolarHBondContact O-CA 3.44Å; Q95-L106 HydrophobicContact CB-CB 4.14Å; Q95-L106 HydrophobicContact CG-CD1 4.49Å; Q95-L106 PolarHBondContact N-O 2.91Å; Q95-L106 PolarHBondContact O-N 3.08Å
96K98.3Very high97.1Very high101 Ų10152.9 Ų52.944%0.43930%0.296SS..EExtended strand (participates in β ladder)trans-108.6127171.9-173.6-176.2-175.7-175.80108.3S84 I85 T103S84-K96 VanDerWaalsContact CA-O 3.29Å; S84-K96 WeakPolarHBondContact CA-O 3.49Å; I85-K96 HydrophobicContact CG2-CB 3.95Å; I85-K96 PolarHBondContact N-O 2.89Å; I85-K96 PolarHBondContact O-N 3.13Å; K96-T103 HydrophobicContact CD-CG2 4.14Å; K96-T103 HydrophobicContact CG-CG2 3.68Å
97Q98.3Very high97.1Very high11 Ų1154.3 Ų54.35%0.05130%0.302CS..EExtended strand (participates in β ladder)trans-116133.1172.3-42.3179.9-59.800109E74 A82 K83 S84 Q95 T103 T104 L106E74-Q97 PolarHBondContact OE1-NE2 2.97Å; E74-Q97 PolarHBondContact OE2-NE2 3.35Å; A82-Q97 HydrophobicContact CB-CB 4.23Å; K83-Q97 CarbonylContact O-C 3.57Å; K83-Q97 WeakPolarHBondContact O-CA 3.36Å; S84-Q97 WeakPolarHBondContact OG-CG 3.29Å; Q95-Q97 HydrophobicContact CG-CG 4.14Å; Q95-Q97 VanDerWaalsContact NE2-NE2 3.16Å; Q97-T103 VanDerWaalsContact O-CA 3.32Å; Q97-T103 WeakPolarHBondContact O-CA 3.18Å; Q97-T104 HydrophobicContact CB-CG2 3.89Å; Q97-T104 HydrophobicContact CG-CG2 4.16Å; Q97-T104 PolarHBondContact N-O 2.9Å; Q97-T104 PolarHBondContact O-N 2.97Å; Q97-L106 HydrophobicContact CG-CD1 4.49Å
98S97.6Very high97.1Very high39 Ų3953.8 Ų53.827%0.27330%0.298SS..EExtended strand (participates in β ladder)trans-128.4133.8179.5-51.60000111.5A82 K83 K102 T103A82-S98 WeakPolarHBondContact CA-O 3.22Å; K83-S98 PolarHBondContact N-O 3.11Å; K83-S98 PolarHBondContact O-N 3.24Å; S98-K102 VanDerWaalsContact CA-O 3.23Å; S98-K102 WeakPolarHBondContact CA-O 3.49Å; S98-T103 PolarHBondContact OG-OG1 3.45Å
99W96.7Very high97.1Very high20 Ų2053.5 Ų53.58%0.07630%0.295CS..EExtended strand (participates in β ladder)trans-152.7139.2178.370.6101.1000109.4V24 R80 A82 G101 K102 T104 M121V24-W99 HydrophobicContact CG1-CH2 4.21Å; V24-W99 HydrophobicContact CG1-CZ2 4.08Å; R80-W99 VanDerWaalsContact NH1-CE2 3.3Å; A82-W99 HydrophobicContact CB-CB 4.2Å; W99-G101 PolarHBondContact O-N 2.77Å; W99-K102 HydrophobicContact CD2-CB 4.16Å; W99-K102 HydrophobicContact CE3-CB 4.46Å; W99-K102 HydrophobicContact CH2-CB 4.19Å; W99-K102 HydrophobicContact CZ2-CB 3.9Å; W99-K102 HydrophobicContact CZ2-CD 4Å; W99-K102 HydrophobicContact CZ3-CB 4.45Å; W99-K102 PolarHBondContact N-O 3.26Å; W99-K102 WeakPolarHBondContact O-CA 3.41Å; W99-K102 WeakPolarHBondContact O-CB 3.34Å; W99-K102 PolarHBondContact O-N 3.25Å; W99-T104 HydrophobicContact CH2-CG2 4.06Å; W99-T104 HydrophobicContact CZ3-CG2 3.7Å; W99-M121 HydrophobicContact CH2-CE 4.24Å; W99-M121 HydrophobicContact CH2-SD 3.89Å; W99-M121 HydrophobicContact CZ2-CE 4.43Å
100E94.1Very high97.2Very high181 Ų18150.5 Ų50.585%0.84628%0.283SS*.THydrogen-bonded Turntrans48.137.8173.2-56.8-175156.300114.8K102E100-K102 PolarHBondContact O-N 2.97Å
101G94.2Very high97.2Very high90 Ų9048.2 Ų48.293%0.92827%0.267SS*.THydrogen-bonded Turntrans77.40.4-177.800000115.6W99W99-G101 PolarHBondContact O-N 2.77Å
102K96Very high97.1Very high93 Ų9353.7 Ų53.740%0.40429%0.289SS..EExtended strand (participates in β ladder)trans-95.2156.2173.8-65.1-178.2-178.9-177.20111.5S98 W99 E100 M121S98-K102 VanDerWaalsContact CA-O 3.23Å; S98-K102 WeakPolarHBondContact CA-O 3.49Å; W99-K102 HydrophobicContact CD2-CB 4.16Å; W99-K102 HydrophobicContact CE3-CB 4.46Å; W99-K102 HydrophobicContact CH2-CB 4.19Å; W99-K102 HydrophobicContact CZ2-CB 3.9Å; W99-K102 HydrophobicContact CZ2-CD 4Å; W99-K102 HydrophobicContact CZ3-CB 4.45Å; W99-K102 PolarHBondContact N-O 3.26Å; W99-K102 WeakPolarHBondContact O-CA 3.41Å; W99-K102 WeakPolarHBondContact O-CB 3.34Å; W99-K102 PolarHBondContact O-N 3.25Å; E100-K102 PolarHBondContact O-N 2.97Å; K102-M121 HydrophobicContact CB-CE 4.12Å; K102-M121 HydrophobicContact CD-CE 4.18Å; K102-M121 HydrophobicContact CG-CE 4.36Å
103T97.4Very high96.7Very high54 Ų5453.8 Ų53.833%0.33130%0.302SS..EExtended strand (participates in β ladder)trans-142.8132.7176.3-64.30000110.7K96 Q97 S98K96-T103 HydrophobicContact CD-CG2 4.14Å; K96-T103 HydrophobicContact CG-CG2 3.68Å; Q97-T103 VanDerWaalsContact O-CA 3.32Å; Q97-T103 WeakPolarHBondContact O-CA 3.18Å; S98-T103 PolarHBondContact OG-OG1 3.45Å
104T98.2Very high96.6Very high0 Ų058.5 Ų58.50%032%0.322CS..EExtended strand (participates in β ladder)trans-119151.5167.4-174.40000109.9Y20 Q97 W99 L106 I120Y20-T104 VanDerWaalsContact CE2-OG1 3.3Å; Y20-T104 WeakPolarHBondContact CE2-OG1 3.43Å; Y20-T104 PolarHBondContact OH-OG1 2.8Å; Q97-T104 HydrophobicContact CB-CG2 3.89Å; Q97-T104 HydrophobicContact CG-CG2 4.16Å; Q97-T104 PolarHBondContact N-O 2.9Å; Q97-T104 PolarHBondContact O-N 2.97Å; W99-T104 HydrophobicContact CH2-CG2 4.06Å; W99-T104 HydrophobicContact CZ3-CG2 3.7Å; T104-L106 HydrophobicContact CG2-CD1 4.23Å; T104-I120 WeakPolarHBondContact CA-O 3.27Å; T104-I120 PolarHBondContact OG1-O 2.88Å
105T98.4Very high96.6Very high39 Ų3957.2 Ų57.224%0.23932%0.316CS..EExtended strand (participates in β ladder)trans-122.3133.3176.8-540000110.3M94 Q95 I120M94-T105 HydrophobicContact CE-CG2 3.76Å; Q95-T105 CarbonylContact O-C 3.48Å; Q95-T105 WeakPolarHBondContact O-CA 3.44Å; T105-I120 PolarHBondContact N-O 2.83Å; T105-I120 PolarHBondContact O-N 2.89Å
106L98.1Very high96.6Very high23 Ų2359 Ų5912%0.1233%0.327CS..EExtended strand (participates in β ladder)trans-113.4113.9167.9-61.880000108.8Q95 Q97 T104 K118Q95-L106 HydrophobicContact CB-CB 4.14Å; Q95-L106 HydrophobicContact CG-CD1 4.49Å; Q95-L106 PolarHBondContact N-O 2.91Å; Q95-L106 PolarHBondContact O-N 3.08Å; Q97-L106 HydrophobicContact CG-CD1 4.49Å; T104-L106 HydrophobicContact CG2-CD1 4.23Å; L106-K118 CarbonylContact C-O 3.53Å; L106-K118 VanDerWaalsContact CA-O 3.29Å; L106-K118 WeakPolarHBondContact CA-O 3.41Å
107E98.3Very high96.6Very high29 Ų2954.4 Ų54.414%0.13631%0.308CS..EExtended strand (participates in β ladder)trans-99124.4175.3171.1-177.6132.800108.7K92 M94 A117 K118K92-E107 HydrophobicContact CB-CG 4.31Å; K92-E107 HydrophobicContact CD-CG 3.83Å; K92-E107 WeakPolarHBondContact CD-OE1 3.3Å; K92-E107 IonicContact NZ-OE1 3.46Å; K92-E107 PolarHBondContact NZ-OE1 3.38Å; M94-E107 HydrophobicContact CE-CB 3.89Å; M94-E107 HydrophobicContact CE-CG 4.23Å; M94-E107 HydrophobicContact SD-CB 3.77Å; M94-E107 HydrophobicContact SD-CG 3.66Å; E107-A117 CarbonylContact O-C 3.53Å; E107-A117 VanDerWaalsContact O-CA 3.26Å; E107-A117 WeakPolarHBondContact O-CA 3.49Å; E107-K118 HydrophobicContact CB-CB 4.32Å; E107-K118 PolarHBondContact N-O 2.87Å; E107-K118 PolarHBondContact O-N 3.04Å; E107-K118 IonicContact OE1-NZ 3.63Å
108R98.4Very high96.6Very high16 Ų1657.3 Ų57.36%0.0632%0.321CS..EExtended strand (participates in β ladder)trans-114.4131.1173.5-61.7176.5-173.680.9-4.4110.3F5 K92 L93 L115 T116 A117F5-R108 HydrophobicContact CD1-CB 4.38Å; F5-R108 HydrophobicContact CE1-CB 3.94Å; F5-R108 VanDerWaalsContact CE1-O 3.29Å; F5-R108 WeakPolarHBondContact CE1-O 3.34Å; F5-R108 VanDerWaalsContact CZ-O 3.28Å; F5-R108 WeakPolarHBondContact CZ-O 3.45Å; K92-R108 CarbonylContact C-O 3.51Å; K92-R108 WeakPolarHBondContact CA-O 3.34Å; L93-R108 HydrophobicContact CB-CB 4.27Å; L93-R108 PolarHBondContact N-O 2.69Å; L93-R108 PolarHBondContact O-N 2.85Å; R108-L115 HydrophobicContact CB-CD2 4.49Å; R108-L115 HydrophobicContact CG-CD2 4.45Å; R108-T116 WeakPolarHBondContact CA-O 3.47Å; R108-A117 HydrophobicContact CG-CB 4.09Å
109E97.9Very high96.6Very high57 Ų5755.7 Ų55.727%0.26631%0.309SS..EExtended strand (participates in β ladder)trans-131.4138.3178.6179165.5-146.500109.5K92 L115 T116K92-E109 VanDerWaalsContact CE-CD 3.43Å; K92-E109 WeakPolarHBondContact CE-OE1 3.32Å; K92-E109 VanDerWaalsContact CE-OE2 3.26Å; K92-E109 WeakPolarHBondContact CE-OE2 3.44Å; K92-E109 HydrophobicContact CG-CB 4.35Å; K92-E109 IonicContact NZ-OE1 3.76Å; K92-E109 IonicContact NZ-OE2 3.47Å; K92-E109 PolarHBondContact NZ-OE2 2.96Å; E109-L115 CarbonylContact O-C 3.55Å; E109-L115 WeakPolarHBondContact O-CA 3.46Å; E109-T116 PolarHBondContact N-O 3Å; E109-T116 PolarHBondContact O-N 3.39Å
110V97.6Very high96.7Very high34 Ų3457 Ų5721%0.20632%0.317CS..EExtended strand (participates in β ladder)trans-110.6120.31731720000108.5Q4 F5 W9 K114 L115Q4-V110 HydrophobicContact CG-CB 4.41Å; F5-V110 HydrophobicContact CD1-CG2 3.5Å; F5-V110 HydrophobicContact CE1-CB 4.43Å; F5-V110 HydrophobicContact CE1-CG2 3.73Å; F5-V110 HydrophobicContact CG-CG2 4.3Å; W9-V110 HydrophobicContact CH2-CG1 3.83Å; W9-V110 HydrophobicContact CH2-CG2 3.87Å; W9-V110 HydrophobicContact CZ2-CG1 4.4Å; W9-V110 HydrophobicContact CZ2-CG2 3.85Å; V110-K114 VanDerWaalsContact CA-O 3.28Å; V110-K114 WeakPolarHBondContact CA-O 3.34Å; V110-L115 HydrophobicContact CG2-CB 4.03Å; V110-L115 HydrophobicContact CG2-CD1 4.19Å; V110-L115 HydrophobicContact CG2-CG 4.09Å
111Q94.8Very high96.9Very high120 Ų12048.6 Ų48.656%0.56128%0.278SS*.EExtended strand (participates in β ladder)trans-143.4135.2177.8-172.6177.80.900109G113 K114Q111-G113 PolarHBondContact O-N 2.91Å; Q111-G113 VanDerWaalsContact O-N 3.11Å; Q111-K114 PolarHBondContact N-O 2.78Å; Q111-K114 PolarHBondContact O-N 3.01Å
112D91.4Very high97Very high147 Ų14750.5 Ų50.579%0.78627%0.267SS*.THydrogen-bonded Turntrans50.140.3175.6-55.3-37.5000114.1K114D112-K114 VanDerWaalsContact C-N 3.26Å; D112-K114 PolarHBondContact O-N 3.33Å
113G90.5Very high97Very high45 Ų4553.2 Ų53.246%0.46429%0.286SS..THydrogen-bonded Turntrans74.99179.500000115.2W9 Q111W9-G113 WeakPolarHBondContact CZ3-O 3.37Å; Q111-G113 PolarHBondContact O-N 2.91Å; Q111-G113 VanDerWaalsContact O-N 3.11Å
114K95.9Very high97Very high98 Ų9852 Ų5243%0.42628%0.278SS..EExtended strand (participates in β ladder)trans-113.7140.2176.1-64.7-177.2177-177.70110.8V110 Q111 D112 T129 Y130 E131V110-K114 VanDerWaalsContact CA-O 3.28Å; V110-K114 WeakPolarHBondContact CA-O 3.34Å; Q111-K114 PolarHBondContact N-O 2.78Å; Q111-K114 PolarHBondContact O-N 3.01Å; D112-K114 VanDerWaalsContact C-N 3.26Å; D112-K114 PolarHBondContact O-N 3.33Å; K114-T129 HydrophobicContact CD-CG2 4.36Å; K114-Y130 WeakPolarHBondContact CA-O 3.43Å; K114-E131 HydrophobicContact CG-CG 4.43Å
115L98.2Very high97Very high0 Ų055 Ų550%030%0.296CS..EExtended strand (participates in β ladder)trans-101.9117.9169.3-176161000108.3F5 W9 I43 R108 E109 V110 A117 Y130F5-L115 HydrophobicContact CD1-CD1 4.1Å; W9-L115 HydrophobicContact CD2-CB 3.68Å; W9-L115 HydrophobicContact CD2-CD1 3.87Å; W9-L115 HydrophobicContact CD2-CG 4.45Å; W9-L115 HydrophobicContact CE3-CB 3.46Å; W9-L115 VanDerWaalsContact CE3-CB 3.46Å; W9-L115 HydrophobicContact CG-CB 4.3Å; W9-L115 HydrophobicContact CG-CD1 3.93Å; W9-L115 HydrophobicContact CH2-CB 4.13Å; W9-L115 HydrophobicContact CZ2-CB 4.32Å; W9-L115 HydrophobicContact CZ2-CD1 4.34Å; W9-L115 HydrophobicContact CZ3-CB 3.7Å; I43-L115 HydrophobicContact CD1-CD1 4.03Å; R108-L115 HydrophobicContact CB-CD2 4.49Å; R108-L115 HydrophobicContact CG-CD2 4.45Å; E109-L115 CarbonylContact O-C 3.55Å; E109-L115 WeakPolarHBondContact O-CA 3.46Å; V110-L115 HydrophobicContact CG2-CB 4.03Å; V110-L115 HydrophobicContact CG2-CD1 4.19Å; V110-L115 HydrophobicContact CG2-CG 4.09Å; L115-A117 HydrophobicContact CD2-CB 4.26Å; L115-Y130 HydrophobicContact CD2-CD2 3.92Å; L115-Y130 PolarHBondContact N-O 2.85Å; L115-Y130 PolarHBondContact O-N 3.43Å
116T98.2Very high97Very high42 Ų4253.1 Ų53.126%0.25829%0.285SS..EExtended strand (participates in β ladder)trans-102.6125.7173-56.40000109R108 E109 V127R108-T116 WeakPolarHBondContact CA-O 3.47Å; E109-T116 PolarHBondContact N-O 3Å; E109-T116 PolarHBondContact O-N 3.39Å; T116-V127 HydrophobicContact CG2-CG1 3.57Å
117A98.1Very high97.1Very high5 Ų553.9 Ų53.94%0.04129%0.29CS..EExtended strand (participates in β ladder)trans-111113.4173.700000109.5E107 R108 L115 R128 Y130E107-A117 CarbonylContact O-C 3.53Å; E107-A117 VanDerWaalsContact O-CA 3.26Å; E107-A117 WeakPolarHBondContact O-CA 3.49Å; R108-A117 HydrophobicContact CG-CB 4.09Å; L115-A117 HydrophobicContact CD2-CB 4.26Å; A117-R128 HydrophobicContact CB-CB 4.4Å; A117-R128 PolarHBondContact N-O 2.86Å; A117-R128 PolarHBondContact O-N 3.4Å; A117-Y130 HydrophobicContact CB-CE2 4.29Å
118K98.5Very high97Very high72 Ų7253.1 Ų53.131%0.31329%0.286SS..EExtended strand (participates in β ladder)trans-92.8124.9170.6-62.7178.8-175.4160.70109.1L106 E107 I120 A126 V127L106-K118 CarbonylContact C-O 3.53Å; L106-K118 VanDerWaalsContact CA-O 3.29Å; L106-K118 WeakPolarHBondContact CA-O 3.41Å; E107-K118 HydrophobicContact CB-CB 4.32Å; E107-K118 PolarHBondContact N-O 2.87Å; E107-K118 PolarHBondContact O-N 3.04Å; E107-K118 IonicContact OE1-NZ 3.63Å; K118-I120 HydrophobicContact CB-CD1 4.42Å; K118-I120 HydrophobicContact CB-CG1 4.37Å; K118-A126 CarbonylContact C-O 3.49Å; K118-A126 VanDerWaalsContact CA-O 3.31Å; K118-A126 WeakPolarHBondContact CA-O 3.43Å; K118-V127 HydrophobicContact CG-CG2 4.34Å
119C98.3Very high97Very high5 Ų553.5 Ų53.53%0.03429%0.29CS..EExtended strand (participates in β ladder)trans-107.3118.3175.9-58.90000108.2Y20 V125 A126Y20-C119 HydrophobicContact CD1-CB 3.83Å; Y20-C119 HydrophobicContact CD2-CB 3.69Å; Y20-C119 WeakPolarHBondContact CD2-O 3.37Å; Y20-C119 HydrophobicContact CE1-CB 3.74Å; Y20-C119 HydrophobicContact CE2-CB 3.59Å; Y20-C119 HydrophobicContact CG-CB 3.81Å; C119-V125 WeakPolarHBondContact O-CA 3.43Å; C119-A126 HydrophobicContact CB-CB 4.28Å; C119-A126 PolarHBondContact N-O 3.22Å; C119-A126 PolarHBondContact O-N 3.38Å
120I98.6Very high97Very high48 Ų4851.1 Ų51.125%0.24628%0.279CS..EExtended strand (participates in β ladder)trans-125120.6-166.4-53.8167.8000108.9T104 T105 K118 V124 V125T104-I120 WeakPolarHBondContact CA-O 3.27Å; T104-I120 PolarHBondContact OG1-O 2.88Å; T105-I120 PolarHBondContact N-O 2.83Å; T105-I120 PolarHBondContact O-N 2.89Å; K118-I120 HydrophobicContact CB-CD1 4.42Å; K118-I120 HydrophobicContact CB-CG1 4.37Å; I120-V124 WeakPolarHBondContact CA-O 3.33Å; I120-V125 HydrophobicContact CG1-CG1 4.32Å; I120-V125 HydrophobicContact CG1-CG2 4.32Å; I120-V125 HydrophobicContact CG2-CG2 4.4Å
121M97.8Very high97Very high4 Ų453.9 Ų53.92%0.0229%0.29CS..EExtended strand (participates in β ladder)trans-136.4118173.7-178.876.6-169.100107.4Y20 A23 V24 W99 K102 D123 V124Y20-M121 HydrophobicContact CD2-CB 4.02Å; Y20-M121 HydrophobicContact CE2-CB 3.91Å; A23-M121 HydrophobicContact CB-CB 4.11Å; A23-M121 HydrophobicContact CB-CG 3.85Å; V24-M121 HydrophobicContact CG2-CB 4.22Å; V24-M121 HydrophobicContact CG2-CG 4.19Å; V24-M121 HydrophobicContact CG2-SD 4.35Å; W99-M121 HydrophobicContact CH2-CE 4.24Å; W99-M121 HydrophobicContact CH2-SD 3.89Å; W99-M121 HydrophobicContact CZ2-CE 4.43Å; K102-M121 HydrophobicContact CB-CE 4.12Å; K102-M121 HydrophobicContact CD-CE 4.18Å; K102-M121 HydrophobicContact CG-CE 4.36Å; M121-D123 PolarHBondContact O-N 2.79Å; M121-V124 PolarHBondContact N-O 3.5Å; M121-V124 WeakPolarHBondContact O-CB 3.28Å; M121-V124 PolarHBondContact O-N 3.25Å
122D95.4Very high97Very high130 Ų13053.4 Ų53.470%0.69529%0.286SS*.THydrogen-bonded Turntrans52-120-173.1-55.7-44.9000111.9
123D96.6Very high96.8Very high150 Ų15048 Ų4880%0.80226%0.262SS*.THydrogen-bonded Turntrans-90.1-3.3176.664.1-33.5000113.7M121M121-D123 PolarHBondContact O-N 2.79Å
124V98.3Very high95.7Very high27 Ų2754.1 Ų54.116%0.16431%0.308CS..EExtended strand (participates in β ladder)trans-91.2124.2-177-176.50000110.9E19 A23 I120 M121E19-V124 HydrophobicContact CB-CG1 3.99Å; A23-V124 HydrophobicContact CB-CB 4.27Å; A23-V124 HydrophobicContact CB-CG2 4.06Å; I120-V124 WeakPolarHBondContact CA-O 3.33Å; M121-V124 PolarHBondContact N-O 3.5Å; M121-V124 WeakPolarHBondContact O-CB 3.28Å; M121-V124 PolarHBondContact O-N 3.25Å
125V98.6Very high95.7Very high64 Ų6452 Ų5239%0.38830%0.302SS..EExtended strand (participates in β ladder)trans-119.6122.6174.7-175.30000109.8N16 C119 I120 V127N16-V125 PolarHBondContact ND2-O 3.04Å; C119-V125 WeakPolarHBondContact O-CA 3.43Å; I120-V125 HydrophobicContact CG1-CG1 4.32Å; I120-V125 HydrophobicContact CG1-CG2 4.32Å; I120-V125 HydrophobicContact CG2-CG2 4.4Å; V125-V127 HydrophobicContact CG1-CG2 4.35Å
126A98.6Very high95.5Very high0 Ų054.7 Ų54.70%032%0.318CS..EExtended strand (participates in β ladder)trans-106.7144.9166.500000110.4E15 N16 F17 Y20 K118 C119E15-A126 VanDerWaalsContact O-CA 3.29Å; E15-A126 WeakPolarHBondContact O-CA 3.33Å; E15-A126 WeakPolarHBondContact O-CB 3.44Å; N16-A126 HydrophobicContact CB-CB 4.45Å; F17-A126 HydrophobicContact CB-CB 4.36Å; F17-A126 HydrophobicContact CD2-CB 4.17Å; Y20-A126 HydrophobicContact CG-CB 4.17Å; K118-A126 CarbonylContact C-O 3.49Å; K118-A126 VanDerWaalsContact CA-O 3.31Å; K118-A126 WeakPolarHBondContact CA-O 3.43Å; C119-A126 HydrophobicContact CB-CB 4.28Å; C119-A126 PolarHBondContact N-O 3.22Å; C119-A126 PolarHBondContact O-N 3.38Å
127V98.4Very high95.4Very high38 Ų3855.4 Ų55.423%0.2332%0.321CS..EExtended strand (participates in β ladder)trans-122.8124-179.8-173.80000109.1S14 E15 T116 K118 V125S14-V127 WeakPolarHBondContact CA-O 3.43Å; E15-V127 PolarHBondContact N-O 2.74Å; E15-V127 PolarHBondContact O-N 3.38Å; T116-V127 HydrophobicContact CG2-CG1 3.57Å; K118-V127 HydrophobicContact CG-CG2 4.34Å; V125-V127 HydrophobicContact CG1-CG2 4.35Å
128R97.9Very high95.2Very high13 Ų1358.4 Ų58.45%0.04934%0.338CS..EExtended strand (participates in β ladder)trans-117124175.3-61.5-177.671.3109.43.7109L11 S13 F17 A117 Y130L11-R128 HydrophobicContact CD1-CB 3.91Å; L11-R128 HydrophobicContact CD1-CG 4.46Å; S13-R128 WeakPolarHBondContact O-CA 3.23Å; F17-R128 HydrophobicContact CD2-CG 4.35Å; F17-R128 VanDerWaalsContact CZ-NH1 3.26Å; A117-R128 HydrophobicContact CB-CB 4.4Å; A117-R128 PolarHBondContact N-O 2.86Å; A117-R128 PolarHBondContact O-N 3.4Å; R128-Y130 HydrophobicContact CB-CD2 4.5Å; R128-Y130 HydrophobicContact CB-CE2 3.67Å; R128-Y130 PolarHBondContact NE-OH 3.21Å
129T98.1Very high95Very high24 Ų2457.5 Ų57.515%0.14734%0.339CS..EExtended strand (participates in β ladder)trans-107.7133.6-179.2-50.30000109.6V12 S13 K114V12-T129 HydrophobicContact CG2-CG2 4.09Å; V12-T129 VanDerWaalsContact CG2-O 3.32Å; V12-T129 WeakPolarHBondContact CG2-O 3.37Å; V12-T129 PolarHBondContact N-O 3.05Å; S13-T129 PolarHBondContact N-O 2.9Å; S13-T129 PolarHBondContact O-N 3Å; S13-T129 WeakPolarHBondContact OG-CB 3.37Å; S13-T129 PolarHBondContact OG-OG1 3.47Å; K114-T129 HydrophobicContact CD-CG2 4.36Å
130Y98.1Very high94.8Very high8 Ų861 Ų613%0.03136%0.36CS..EExtended strand (participates in β ladder)trans-125145.2178.6-58.6-108.4000110.7W9 T10 L11 L41 K114 L115 A117 R128W9-Y130 HydrophobicContact CB-CD1 4.22Å; W9-Y130 HydrophobicContact CB-CG 4.31Å; T10-Y130 CarbonylContact O-C 3.55Å; T10-Y130 WeakPolarHBondContact O-CA 3.4Å; T10-Y130 WeakPolarHBondContact O-CB 3.5Å; L11-Y130 VanDerWaalsContact CA-CD1 3.44Å; L11-Y130 HydrophobicContact CB-CD1 3.87Å; L11-Y130 HydrophobicContact CB-CE1 3.62Å; L11-Y130 HydrophobicContact CD1-CD1 4.19Å; L11-Y130 HydrophobicContact CD1-CD2 4.21Å; L11-Y130 HydrophobicContact CD1-CE1 3.68Å; L11-Y130 HydrophobicContact CD1-CE2 3.7Å; L11-Y130 HydrophobicContact CD1-CG 4.41Å; L11-Y130 HydrophobicContact CG-CE1 4.28Å; L11-Y130 VanDerWaalsContact N-CD1 3.3Å; L41-Y130 HydrophobicContact CB-CD1 4.49Å; L41-Y130 HydrophobicContact CB-CE1 4.33Å; L41-Y130 HydrophobicContact CD1-CD1 4.03Å; L41-Y130 HydrophobicContact CD1-CD2 4.18Å; L41-Y130 HydrophobicContact CD1-CE1 3.54Å; L41-Y130 HydrophobicContact CD1-CE2 3.7Å; L41-Y130 HydrophobicContact CD1-CG 4.36Å; L41-Y130 HydrophobicContact CG-CD1 4.15Å; L41-Y130 HydrophobicContact CG-CE1 3.56Å; K114-Y130 WeakPolarHBondContact CA-O 3.43Å; L115-Y130 HydrophobicContact CD2-CD2 3.92Å; L115-Y130 PolarHBondContact N-O 2.85Å; L115-Y130 PolarHBondContact O-N 3.43Å; A117-Y130 HydrophobicContact CB-CE2 4.29Å; R128-Y130 HydrophobicContact CB-CD2 4.5Å; R128-Y130 HydrophobicContact CB-CE2 3.67Å; R128-Y130 PolarHBondContact NE-OH 3.21Å
131E96.9Very high94.5Very high92 Ų9261.9 Ų61.943%0.4337%0.368SS..EExtended strand (participates in β ladder)trans-104.8144171-72.9179.817200109.9W9 T10 V12 K114 A133W9-E131 CarbonylContact C-O 3.52Å; W9-E131 WeakPolarHBondContact CA-O 3.32Å; T10-E131 PolarHBondContact N-O 2.89Å; T10-E131 PolarHBondContact O-N 3.25Å; V12-E131 HydrophobicContact CG1-CB 4.04Å; V12-E131 HydrophobicContact CG1-CG 3.87Å; V12-E131 HydrophobicContact CG2-CG 3.93Å; K114-E131 HydrophobicContact CG-CG 4.43Å; E131-A133 PolarHBondContact O-N 3.15Å
132K95Very high94.3Very high109 Ų10966.4 Ų66.447%0.47440%0.395SS..EExtended strand (participates in β ladder)trans-65.5126.9176.7-157.9164.4-170.7162.70108.6V6 W9V6-K132 PolarHBondContact O-NZ 2.74Å; V6-K132 VanDerWaalsContact O-NZ 3.08Å; W9-K132 HydrophobicContact CD2-CB 4.5Å; W9-K132 HydrophobicContact CD2-CG 4.48Å; W9-K132 HydrophobicContact CE3-CB 3.86Å; W9-K132 HydrophobicContact CE3-CG 4.3Å; W9-K132 HydrophobicContact CH2-CB 4.1Å; W9-K132 HydrophobicContact CH2-CD 3.99Å; W9-K132 HydrophobicContact CH2-CG 4.21Å; W9-K132 HydrophobicContact CZ2-CD 4.15Å; W9-K132 HydrophobicContact CZ2-CG 4.39Å; W9-K132 HydrophobicContact CZ3-CB 3.64Å; W9-K132 HydrophobicContact CZ3-CD 4.4Å; W9-K132 HydrophobicContact CZ3-CG 4.17Å
133A87.6Confident94.2Very high34 Ų3461.1 Ų61.128%0.28137%0.37SS..  trans-61.7139.1172.400000109K8 E131K8-A133 HydrophobicContact CB-CB 3.94Å; K8-A133 HydrophobicContact CD-CB 4.01Å; K8-A133 HydrophobicContact CG-CB 3.83Å; K8-A133 WeakPolarHBondContact O-CB 3.46Å; K8-A133 PolarHBondContact O-N 3.21Å; E131-A133 PolarHBondContact O-N 3.15Å
134A66.6Low94Very high174 Ų17453 Ų53100%1.43833%0.33SS*.  trans-63.70172.400000111.8

Retrieved 134 of 134 residues in 340.7 ms (Link to these results)

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