A0A087XP49_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 , UniProt , Accession A0A087XP49, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 135 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
1M53.5Low90.8Very high230 Ų23061.3 Ų61.3100%1.13333%0.327SS*.  0138.60-71179.2-7800106.6
2P74.4Confident91.4Very high76 Ų7663.6 Ų63.649%0.49434%0.344SS..  trans-54.5150.2173.5-18.930.3000110.2W89P2-W89 HydrophobicContact CB-CH2 4.06Å; P2-W89 HydrophobicContact CB-CZ2 3.69Å
3A88.8Confident91.9Very high28 Ų2864.5 Ų64.523%0.23134%0.343CS..  trans-61.2145.9175.300000110.6Y5 Q45 D92A3-Y5 HydrophobicContact CB-CD2 4.36Å; A3-Y5 HydrophobicContact CB-CE2 3.81Å; A3-Y5 WeakPolarHBondContact O-CD2 3.41Å; A3-Q45 PolarHBondContact O-NE2 3.01Å; A3-Q45 PolarHBondContact O-OE1 3.19Å; A3-D92 HydrophobicContact CB-CB 4.3Å
4D94.6Very high92.4Very high94 Ų9463.1 Ų63.150%0.50334%0.336SS..  trans-95.5109.4179-177.89.1000110.5N6 I111D4-N6 WeakPolarHBondContact OD1-CB 3.5Å; D4-N6 PolarHBondContact OD1-N 3Å; D4-N6 PolarHBondContact OD1-ND2 2.83Å; D4-I111 WeakPolarHBondContact O-CD1 2.98Å
5Y97.6Very high92.8Very high1 Ų165.5 Ų65.50%0.00434%0.344CS..  trans-91.7-0.6179.4-71.9-104.4000113.5A3 G7 W9 I43 F50 W89 D92 L94 H109 W110 I111 L116A3-Y5 HydrophobicContact CB-CD2 4.36Å; A3-Y5 HydrophobicContact CB-CE2 3.81Å; A3-Y5 WeakPolarHBondContact O-CD2 3.41Å; Y5-G7 PolarHBondContact O-N 3.35Å; Y5-W9 PolarHBondContact O-NE1 3.19Å; Y5-I43 WeakPolarHBondContact O-CB 3.09Å; Y5-F50 HydrophobicContact CD2-CE1 4.38Å; Y5-F50 HydrophobicContact CG-CE1 4.35Å; Y5-W89 HydrophobicContact CD2-CH2 4.01Å; Y5-W89 HydrophobicContact CD2-CZ3 4.45Å; Y5-W89 AromaticContact CE2-CH2 3.64Å; Y5-W89 HydrophobicContact CE2-CH2 3.64Å; Y5-W89 AromaticContact CE2-CZ3 3.64Å; Y5-W89 HydrophobicContact CE2-CZ3 3.64Å; Y5-D92 PolarHBondContact OH-O 3.01Å; Y5-L94 HydrophobicContact CD1-CD1 4.38Å; Y5-L94 HydrophobicContact CD2-CD1 4.17Å; Y5-L94 HydrophobicContact CE1-CD1 4.21Å; Y5-L94 HydrophobicContact CE2-CD1 4.01Å; Y5-L94 HydrophobicContact CE2-CG 4.16Å; Y5-L94 HydrophobicContact CG-CD1 4.35Å; Y5-L94 PolarHBondContact OH-N 2.91Å; Y5-H109 HydrophobicContact CE1-CB 4Å; Y5-H109 PolarHBondContact OH-O 2.81Å; Y5-W110 WeakPolarHBondContact OH-CA 3.39Å; Y5-I111 HydrophobicContact CD1-CD1 3.68Å; Y5-I111 HydrophobicContact CD1-CG1 4.02Å; Y5-I111 HydrophobicContact CD2-CD1 4.2Å; Y5-I111 HydrophobicContact CE1-CD1 3.97Å; Y5-I111 HydrophobicContact CE1-CG1 3.88Å; Y5-I111 HydrophobicContact CE2-CD1 4.43Å; Y5-I111 HydrophobicContact CG-CD1 3.82Å; Y5-L116 HydrophobicContact CD1-CD1 3.61Å; Y5-L116 HydrophobicContact CE1-CD1 3.69Å
6N98Very high93.1Very high52 Ų5265.9 Ų65.928%0.27835%0.347SS..  trans-55131.9-178.6-80.3-71.6000111.6D4 V44 Q45 K133D4-N6 WeakPolarHBondContact OD1-CB 3.5Å; D4-N6 PolarHBondContact OD1-N 3Å; D4-N6 PolarHBondContact OD1-ND2 2.83Å; N6-V44 WeakPolarHBondContact OD1-CA 3.32Å; N6-Q45 PolarHBondContact ND2-O 3.12Å; N6-Q45 PolarHBondContact OD1-N 2.97Å; N6-K133 VanDerWaalsContact O-CE 3.23Å; N6-K133 WeakPolarHBondContact O-CE 3.21Å; N6-K133 PolarHBondContact O-NZ 2.9Å
7G97.9Very high93.4Very high24 Ų2463.8 Ų63.825%0.24733%0.334CS..EExtended strand (participates in β ladder)trans146.7-177.8170.900000114.8Y5 I43Y5-G7 PolarHBondContact O-N 3.35Å; G7-I43 PolarHBondContact N-O 3.3Å; G7-I43 VanDerWaalsContact N-O 3.07Å; G7-I43 PolarHBondContact O-N 3.26Å
8R98.5Very high93.6Very high97 Ų9763.3 Ų63.337%0.36633%0.33SS..EExtended strand (participates in β ladder)trans-104.5127.9170.4-177.1176.8-177.593.63.7108.4E10 T40 K41 V42 K134R8-E10 IonicContact NE-OE1 3.62Å; R8-T40 HydrophobicContact CG-CG2 3.65Å; R8-K41 CarbonylContact C-O 3.55Å; R8-K41 WeakPolarHBondContact CA-O 3.24Å; R8-V42 HydrophobicContact CG-CG2 4.33Å; R8-K134 HydrophobicContact CB-CB 4.25Å; R8-K134 HydrophobicContact CG-CB 4.35Å; R8-K134 HydrophobicContact CG-CD 4.42Å; R8-K134 WeakPolarHBondContact O-CB 3.48Å; R8-K134 PolarHBondContact O-N 2.62Å
9W98.8Very high93.9Very high3 Ų363.5 Ų63.51%0.01133%0.331CS..EExtended strand (participates in β ladder)trans-125.3123-172.7-52.989.7000109.8Y5 T40 K41 I111 L116 F131 K132 K133Y5-W9 PolarHBondContact O-NE1 3.19Å; W9-T40 CarbonylContact O-C 3.55Å; W9-T40 VanDerWaalsContact O-CA 3.31Å; W9-T40 WeakPolarHBondContact O-CA 3.31Å; W9-K41 HydrophobicContact CB-CB 4.25Å; W9-K41 PolarHBondContact N-O 3.38Å; W9-K41 PolarHBondContact O-N 3.11Å; W9-I111 HydrophobicContact CH2-CD1 3.97Å; W9-I111 HydrophobicContact CH2-CG1 4.29Å; W9-I111 HydrophobicContact CZ2-CD1 4.05Å; W9-L116 HydrophobicContact CB-CD2 4.03Å; W9-L116 HydrophobicContact CD2-CB 3.62Å; W9-L116 HydrophobicContact CD2-CD2 3.88Å; W9-L116 HydrophobicContact CD2-CG 4.37Å; W9-L116 HydrophobicContact CE3-CB 3.35Å; W9-L116 HydrophobicContact CE3-CD2 4.48Å; W9-L116 HydrophobicContact CG-CB 4.17Å; W9-L116 HydrophobicContact CG-CD2 3.65Å; W9-L116 HydrophobicContact CH2-CB 4.23Å; W9-L116 HydrophobicContact CZ2-CB 4.47Å; W9-L116 HydrophobicContact CZ3-CB 3.67Å; W9-F131 HydrophobicContact CB-CB 3.66Å; W9-F131 HydrophobicContact CB-CG 4.37Å; W9-K132 CarbonylContact C-O 3.42Å; W9-K132 WeakPolarHBondContact CA-O 2.91Å; W9-K133 HydrophobicContact CD2-CB 4.43Å; W9-K133 HydrophobicContact CD2-CG 4.36Å; W9-K133 HydrophobicContact CE3-CB 3.7Å; W9-K133 HydrophobicContact CE3-CG 4.08Å; W9-K133 HydrophobicContact CH2-CB 4.12Å; W9-K133 HydrophobicContact CH2-CD 3.8Å; W9-K133 HydrophobicContact CH2-CG 4.06Å; W9-K133 HydrophobicContact CZ2-CD 4.11Å; W9-K133 HydrophobicContact CZ2-CG 4.32Å; W9-K133 HydrophobicContact CZ3-CB 3.53Å; W9-K133 HydrophobicContact CZ3-CD 4.13Å; W9-K133 HydrophobicContact CZ3-CG 3.94Å
10E98.5Very high94.1Very high56 Ų5660.4 Ų60.426%0.26232%0.315SS..EExtended strand (participates in β ladder)trans-106.3128.6-175.1-68.9-172.6173.600110.6R8 V12 T40 F131 K132 K134R8-E10 IonicContact NE-OE1 3.62Å; E10-V12 PolarHBondContact O-N 3.06Å; E10-T40 HydrophobicContact CG-CG2 4.24Å; E10-F131 CarbonylContact O-C 3.57Å; E10-F131 WeakPolarHBondContact O-CA 3.44Å; E10-K132 PolarHBondContact N-O 3.29Å; E10-K132 PolarHBondContact O-N 3.19Å; E10-K134 WeakPolarHBondContact OE1-CD 3.44Å; E10-K134 WeakPolarHBondContact OE1-CE 3.4Å; E10-K134 IonicContact OE1-NZ 3.81Å; E10-K134 PolarHBondContact OE1-NZ 2.77Å
11M98.4Very high94.3Very high13 Ų1357.9 Ų57.96%0.06430%0.302CS..EExtended strand (participates in β ladder)trans-64.2120.6-172.2178.4179-88.300112.4N14 H38 Q39 Q129 F131M11-N14 HydrophobicContact CE-CB 4.17Å; M11-N14 HydrophobicContact SD-CB 3.79Å; M11-H38 PolarHBondContact N-NE2 3.09Å; M11-H38 PolarHBondContact O-CD2 2.93Å; M11-H38 PolarHBondContact O-NE2 3.25Å; M11-Q39 HydrophobicContact CB-CB 4.47Å; M11-Q39 WeakPolarHBondContact CB-O 3.42Å; M11-Q39 HydrophobicContact CE-CB 3.7Å; M11-Q39 HydrophobicContact CE-CG 3.78Å; M11-Q39 PolarHBondContact N-O 3.39Å; M11-Q39 HydrophobicContact SD-CB 4.18Å; M11-Q39 HydrophobicContact SD-CG 4.28Å; M11-Q129 HydrophobicContact CE-CB 4.33Å; M11-Q129 VanDerWaalsContact CE-CD 3.43Å; M11-Q129 HydrophobicContact CE-CG 3.98Å; M11-F131 VanDerWaalsContact CA-CD1 3.5Å; M11-F131 HydrophobicContact CB-CD1 3.74Å; M11-F131 HydrophobicContact CB-CE1 3.69Å; M11-F131 HydrophobicContact CE-CE1 3.83Å; M11-F131 HydrophobicContact CE-CZ 3.62Å; M11-F131 HydrophobicContact CG-CE1 4.28Å
12V98.2Very high96.4Very high89 Ų8953 Ų5354%0.53928%0.275SS..EExtended strand (participates in β ladder)trans-106.2-15.8174.5-64.50000112.8E10 V130 K132E10-V12 PolarHBondContact O-N 3.06Å; V12-V130 HydrophobicContact CG2-CB 4.03Å; V12-V130 HydrophobicContact CG2-CG1 3.89Å; V12-V130 WeakPolarHBondContact CG2-O 3.26Å; V12-V130 PolarHBondContact N-O 3.04Å; V12-K132 HydrophobicContact CG1-CB 3.75Å
13K98.1Very high97.6Very high75 Ų7550 Ų5033%0.32626%0.256SS..EExtended strand (participates in β ladder)trans-149.5140.5-177.4-167.5-178174.3-160.10111.3E15 Q129 V130K13-E15 WeakPolarHBondContact CE-OE1 3.38Å; K13-E15 WeakPolarHBondContact CE-OE2 3.47Å; K13-E15 HydrophobicContact CG-CG 4.35Å; K13-E15 IonicContact NZ-OE1 2.97Å; K13-E15 PolarHBondContact NZ-OE1 2.87Å; K13-E15 IonicContact NZ-OE2 3.91Å; K13-E15 PolarHBondContact NZ-OE2 3.41Å; K13-Q129 VanDerWaalsContact O-CA 3.29Å; K13-Q129 WeakPolarHBondContact O-CA 3.38Å; K13-V130 HydrophobicContact CB-CB 3.8Å; K13-V130 HydrophobicContact CB-CG2 4.04Å; K13-V130 HydrophobicContact CD-CG2 3.9Å; K13-V130 PolarHBondContact N-O 3.27Å; K13-V130 VanDerWaalsContact N-O 3.11Å; K13-V130 PolarHBondContact O-N 3.1Å
14N98Very high98Very high45 Ų4549.5 Ų49.524%0.24125%0.249CC..EExtended strand (participates in β ladder)trans-148.896.1176.6-16916.4000110.6M11 F17 Q129M11-N14 HydrophobicContact CE-CB 4.17Å; M11-N14 HydrophobicContact SD-CB 3.79Å; N14-F17 WeakPolarHBondContact ND2-CD1 3.4Å; N14-F17 VanDerWaalsContact OD1-CB 3.28Å; N14-F17 WeakPolarHBondContact OD1-CB 3.23Å; N14-Q129 HydrophobicContact CB-CG 4.45Å; N14-Q129 VanDerWaalsContact OD1-CG 3.24Å; N14-Q129 WeakPolarHBondContact OD1-CG 3.34Å; N14-Q129 PolarHBondContact OD1-NE2 2.8Å
15E98.2Very high98.2Very high99 Ų9949.7 Ų49.746%0.46325%0.25SS..EExtended strand (participates in β ladder)trans-105.6135.7-177.1-75.6179.5170.300111.6K13 F17 C127 H128K13-E15 WeakPolarHBondContact CE-OE1 3.38Å; K13-E15 WeakPolarHBondContact CE-OE2 3.47Å; K13-E15 HydrophobicContact CG-CG 4.35Å; K13-E15 IonicContact NZ-OE1 2.97Å; K13-E15 PolarHBondContact NZ-OE1 2.87Å; K13-E15 IonicContact NZ-OE2 3.91Å; K13-E15 PolarHBondContact NZ-OE2 3.41Å; E15-F17 PolarHBondContact O-N 2.88Å; E15-C127 VanDerWaalsContact O-CA 3.28Å; E15-C127 WeakPolarHBondContact O-CA 3.41Å; E15-C127 PolarHBondContact O-SG 2.78Å; E15-H128 PolarHBondContact N-O 2.97Å; E15-H128 PolarHBondContact O-N 3.46Å
16N97.6Very high98.2Very high73 Ų7350.6 Ų50.639%0.3926%0.255SS..SBendtrans61.322.1173.4-15438.8000115.9E18 D19 V20 V126N16-E18 VanDerWaalsContact C-N 3.32Å; N16-E18 PolarHBondContact O-N 2.93Å; N16-D19 PolarHBondContact O-N 3.06Å; N16-D19 VanDerWaalsContact OD1-CB 3.29Å; N16-D19 WeakPolarHBondContact OD1-CB 3.46Å; N16-D19 VanDerWaalsContact OD1-CG 3.23Å; N16-D19 PolarHBondContact OD1-OD2 2.83Å; N16-D19 VanDerWaalsContact OD1-OD2 3.05Å; N16-V20 PolarHBondContact O-N 2.85Å; N16-V126 WeakPolarHBondContact CB-O 3.19Å; N16-V126 PolarHBondContact ND2-O 2.85Å
17F98.1Very high98.1Very high29 Ų2952.2 Ų52.213%0.12726%0.264CS..Hα-helixtrans-65-34179.5-169.9-137.1000113.3N14 E15 D19 V20 M21 A34N14-F17 WeakPolarHBondContact ND2-CD1 3.4Å; N14-F17 VanDerWaalsContact OD1-CB 3.28Å; N14-F17 WeakPolarHBondContact OD1-CB 3.23Å; E15-F17 PolarHBondContact O-N 2.88Å; F17-D19 VanDerWaalsContact C-N 3.32Å; F17-D19 PolarHBondContact O-N 2.82Å; F17-V20 PolarHBondContact O-N 3.42Å; F17-M21 HydrophobicContact CD1-CE 3.59Å; F17-M21 HydrophobicContact CD1-SD 4.09Å; F17-M21 HydrophobicContact CD2-CG 4.22Å; F17-M21 HydrophobicContact CE1-CE 3.77Å; F17-M21 HydrophobicContact CE1-CG 4.37Å; F17-M21 HydrophobicContact CE1-SD 3.67Å; F17-M21 HydrophobicContact CE2-CG 3.97Å; F17-M21 HydrophobicContact CE2-SD 4.31Å; F17-M21 HydrophobicContact CG-CE 4.06Å; F17-M21 HydrophobicContact CZ-CE 4.38Å; F17-M21 HydrophobicContact CZ-CG 4.04Å; F17-M21 HydrophobicContact CZ-SD 3.78Å; F17-M21 WeakPolarHBondContact O-CB 3.46Å; F17-M21 WeakPolarHBondContact O-CG 3.5Å; F17-M21 PolarHBondContact O-N 2.95Å; F17-A34 HydrophobicContact CE1-CB 4.14Å
18E98Very high98Very high55 Ų5557.1 Ų57.126%0.25728%0.278SS..Hα-helixtrans-60-42.5177.4-166.8164.5172.900111.9N16 M21 K22 R31 K32 V35N16-E18 VanDerWaalsContact C-N 3.32Å; N16-E18 PolarHBondContact O-N 2.93Å; E18-M21 PolarHBondContact O-N 2.75Å; E18-K22 WeakPolarHBondContact O-CB 3.48Å; E18-K22 PolarHBondContact O-N 2.81Å; E18-R31 HydrophobicContact CG-CB 4.43Å; E18-K32 VanDerWaalsContact CD-NZ 3.27Å; E18-K32 WeakPolarHBondContact OE1-CE 3.41Å; E18-K32 IonicContact OE1-NZ 3.6Å; E18-K32 PolarHBondContact OE1-NZ 3.39Å; E18-K32 IonicContact OE2-NZ 2.78Å; E18-K32 PolarHBondContact OE2-NZ 2.86Å; E18-V35 HydrophobicContact CB-CG1 3.78Å; E18-V35 HydrophobicContact CG-CG1 4.32Å
19D98.3Very high97.9Very high67 Ų6755.3 Ų55.336%0.35828%0.284SS..Hα-helixtrans-69.6-40.9-177-79.73.1000112.1N16 F17 K22 A23 K125N16-D19 PolarHBondContact O-N 3.06Å; N16-D19 VanDerWaalsContact OD1-CB 3.29Å; N16-D19 WeakPolarHBondContact OD1-CB 3.46Å; N16-D19 VanDerWaalsContact OD1-CG 3.23Å; N16-D19 PolarHBondContact OD1-OD2 2.83Å; N16-D19 VanDerWaalsContact OD1-OD2 3.05Å; F17-D19 VanDerWaalsContact C-N 3.32Å; F17-D19 PolarHBondContact O-N 2.82Å; D19-K22 WeakPolarHBondContact O-CB 3.18Å; D19-K22 PolarHBondContact O-N 3.17Å; D19-A23 PolarHBondContact O-N 3.06Å; D19-K125 HydrophobicContact CB-CD 4.31Å; D19-K125 HydrophobicContact CB-CG 4.33Å
20V98.5Very high97.8Very high2 Ų256 Ų561%0.01229%0.289CS..Hα-helixtrans-63.6-44.7173169.70000110.9N16 F17 K22 A23 L24 I120 A122 K125 C127N16-V20 PolarHBondContact O-N 2.85Å; F17-V20 PolarHBondContact O-N 3.42Å; V20-K22 VanDerWaalsContact C-N 3.27Å; V20-K22 PolarHBondContact O-N 2.82Å; V20-A23 WeakPolarHBondContact O-CB 3.33Å; V20-A23 PolarHBondContact O-N 2.82Å; V20-L24 HydrophobicContact CG1-CD1 4.18Å; V20-L24 WeakPolarHBondContact O-CG 3.32Å; V20-L24 PolarHBondContact O-N 2.79Å; V20-I120 HydrophobicContact CG1-CG2 3.88Å; V20-A122 HydrophobicContact CG1-CB 4.38Å; V20-K125 HydrophobicContact CG2-CB 3.89Å; V20-C127 HydrophobicContact CB-CB 4.08Å; V20-C127 HydrophobicContact CG2-CB 3.5Å; V20-C127 VanDerWaalsContact CG2-CB 3.5Å
21M98.3Very high97.7Very high7 Ų754.9 Ų54.93%0.03428%0.282CS..Hα-helixtrans-61.8-37176.3-72.1-168.4-71.100112.2F17 E18 L24 D25 I26 R31 A34 V35F17-M21 HydrophobicContact CD1-CE 3.59Å; F17-M21 HydrophobicContact CD1-SD 4.09Å; F17-M21 HydrophobicContact CD2-CG 4.22Å; F17-M21 HydrophobicContact CE1-CE 3.77Å; F17-M21 HydrophobicContact CE1-CG 4.37Å; F17-M21 HydrophobicContact CE1-SD 3.67Å; F17-M21 HydrophobicContact CE2-CG 3.97Å; F17-M21 HydrophobicContact CE2-SD 4.31Å; F17-M21 HydrophobicContact CG-CE 4.06Å; F17-M21 HydrophobicContact CZ-CE 4.38Å; F17-M21 HydrophobicContact CZ-CG 4.04Å; F17-M21 HydrophobicContact CZ-SD 3.78Å; F17-M21 WeakPolarHBondContact O-CB 3.46Å; F17-M21 WeakPolarHBondContact O-CG 3.5Å; F17-M21 PolarHBondContact O-N 2.95Å; E18-M21 PolarHBondContact O-N 2.75Å; M21-L24 CarbonylContact O-C 3.42Å; M21-L24 PolarHBondContact O-N 2.86Å; M21-D25 PolarHBondContact O-N 2.84Å; M21-I26 HydrophobicContact CB-CB 4.17Å; M21-I26 HydrophobicContact CB-CD1 3.93Å; M21-I26 HydrophobicContact CB-CG1 4.49Å; M21-I26 HydrophobicContact CG-CD1 3.84Å; M21-I26 WeakPolarHBondContact O-CB 3.3Å; M21-I26 PolarHBondContact O-N 2.79Å; M21-I26 HydrophobicContact SD-CD1 4.36Å; M21-R31 HydrophobicContact CB-CG 3.74Å; M21-R31 HydrophobicContact CE-CB 4Å; M21-R31 HydrophobicContact CE-CG 4.16Å; M21-R31 HydrophobicContact SD-CG 4.27Å; M21-A34 HydrophobicContact CE-CB 3.87Å; M21-A34 HydrophobicContact SD-CB 3.6Å; M21-A34 VanDerWaalsContact SD-CB 3.6Å; M21-V35 HydrophobicContact CE-CG1 3.59Å
22K98.3Very high97.6Very high128 Ų12858 Ų5856%0.55730%0.296SS*.Hα-helixtrans-65.4-42174.5-174.1-178.5177.5-175.40111.6E18 D19 V20 L24 D25E18-K22 WeakPolarHBondContact O-CB 3.48Å; E18-K22 PolarHBondContact O-N 2.81Å; D19-K22 WeakPolarHBondContact O-CB 3.18Å; D19-K22 PolarHBondContact O-N 3.17Å; V20-K22 VanDerWaalsContact C-N 3.27Å; V20-K22 PolarHBondContact O-N 2.82Å; K22-L24 PolarHBondContact O-N 2.8Å; K22-D25 PolarHBondContact O-N 2.81Å
23A98.3Very high97.5Very high13 Ų1357.6 Ų57.611%0.10729%0.289CS..Hα-helixtrans-61.9-28.9175.100000112.8D19 V20 D25 K102 A122 L123 K125D19-A23 PolarHBondContact O-N 3.06Å; V20-A23 WeakPolarHBondContact O-CB 3.33Å; V20-A23 PolarHBondContact O-N 2.82Å; A23-D25 VanDerWaalsContact C-N 3.3Å; A23-K102 WeakPolarHBondContact O-CE 3.04Å; A23-K102 PolarHBondContact O-NZ 3.28Å; A23-A122 HydrophobicContact CB-CB 4.32Å; A23-L123 HydrophobicContact CB-CD1 4.11Å; A23-L123 HydrophobicContact CB-CG 4.48Å; A23-K125 HydrophobicContact CB-CB 4.37Å; A23-K125 HydrophobicContact CB-CG 3.99Å
24L98.3Very high97.4Very high17 Ų1754.5 Ų54.59%0.08928%0.278CS..THydrogen-bonded Turntrans-85.97.7174.4-64.5175.1000114V20 M21 K22 I26 D79 R81 K102 A122V20-L24 HydrophobicContact CG1-CD1 4.18Å; V20-L24 WeakPolarHBondContact O-CG 3.32Å; V20-L24 PolarHBondContact O-N 2.79Å; M21-L24 CarbonylContact O-C 3.42Å; M21-L24 PolarHBondContact O-N 2.86Å; K22-L24 PolarHBondContact O-N 2.8Å; L24-I26 HydrophobicContact CB-CG1 4.36Å; L24-I26 PolarHBondContact O-N 3.4Å; L24-D79 HydrophobicContact CB-CB 4.29Å; L24-R81 PolarHBondContact O-NH1 2.92Å; L24-K102 HydrophobicContact CD2-CB 4.4Å; L24-K102 HydrophobicContact CD2-CG 4.08Å; L24-A122 HydrophobicContact CD2-CB 3.8Å; L24-A122 HydrophobicContact CG-CB 4.08Å
25D97.8Very high97.3Very high98 Ų9854.3 Ų54.352%0.52428%0.278SS..THydrogen-bonded Turntrans6024.5-178.4-39.3-53.2000115.1M21 K22 A23 D27 R81 K102M21-D25 PolarHBondContact O-N 2.84Å; K22-D25 PolarHBondContact O-N 2.81Å; A23-D25 VanDerWaalsContact C-N 3.3Å; D25-D27 PolarHBondContact O-N 3.21Å; D25-R81 IonicContact OD2-CZ 2.74Å; D25-R81 IonicContact OD2-NH2 3.04Å; D25-R81 PolarHBondContact OD2-NH2 2.86Å; D25-K102 IonicContact OD1-NZ 3.4Å; D25-K102 PolarHBondContact OD1-NZ 2.94Å; D25-K102 WeakPolarHBondContact OD2-CE 3.35Å; D25-K102 IonicContact OD2-NZ 2.84Å; D25-K102 PolarHBondContact OD2-NZ 3.31Å
26I97.5Very high97.1Very high20 Ų2057 Ų5710%0.10329%0.291CS..  trans-67133.6173.2-64.3175.9000108.5M21 L24 T30 R31 D79M21-I26 HydrophobicContact CB-CB 4.17Å; M21-I26 HydrophobicContact CB-CD1 3.93Å; M21-I26 HydrophobicContact CB-CG1 4.49Å; M21-I26 HydrophobicContact CG-CD1 3.84Å; M21-I26 WeakPolarHBondContact O-CB 3.3Å; M21-I26 PolarHBondContact O-N 2.79Å; M21-I26 HydrophobicContact SD-CD1 4.36Å; L24-I26 HydrophobicContact CB-CG1 4.36Å; L24-I26 PolarHBondContact O-N 3.4Å; I26-T30 HydrophobicContact CG2-CG2 3.52Å; I26-R31 HydrophobicContact CB-CG 4.11Å; I26-R31 HydrophobicContact CG2-CG 3.81Å; I26-R31 WeakPolarHBondContact O-CD 3.27Å; I26-R31 PolarHBondContact O-NH1 2.81Å; I26-D79 HydrophobicContact CD1-CB 4.43Å; I26-D79 HydrophobicContact CG1-CB 4.12Å
27D96.8Very high97Very high86 Ų8654.7 Ų54.746%0.4628%0.278SS..  trans-63.4154.8-174.77487.4000113.5D25 A29 T30 R31D25-D27 PolarHBondContact O-N 3.21Å; D27-A29 VanDerWaalsContact C-N 3.33Å; D27-A29 PolarHBondContact O-N 3.05Å; D27-A29 WeakPolarHBondContact OD1-CB 3.33Å; D27-A29 PolarHBondContact OD1-N 3.32Å; D27-A29 VanDerWaalsContact OD1-N 3.1Å; D27-T30 PolarHBondContact O-N 3.02Å; D27-T30 PolarHBondContact OD1-N 2.95Å; D27-T30 PolarHBondContact OD1-OG1 3.05Å; D27-T30 WeakPolarHBondContact OD2-CB 3.42Å; D27-T30 PolarHBondContact OD2-OG1 2.93Å; D27-R31 WeakPolarHBondContact O-CG 3.11Å; D27-R31 PolarHBondContact O-N 2.93Å
28F96.2Very high96.9Very high127 Ų12758.2 Ų58.256%0.55730%0.295SS*.Hα-helixtrans-57.5-41.1-173.7177.4-100.7000113.6R31 K32F28-R31 PolarHBondContact O-N 2.87Å; F28-K32 HydrophobicContact CD1-CG 4.41Å; F28-K32 HydrophobicContact CD2-CG 4.44Å; F28-K32 HydrophobicContact CE1-CG 3.99Å; F28-K32 HydrophobicContact CE2-CD 4.3Å; F28-K32 HydrophobicContact CE2-CG 4.04Å; F28-K32 HydrophobicContact CZ-CD 4.26Å; F28-K32 HydrophobicContact CZ-CG 3.8Å; F28-K32 WeakPolarHBondContact O-CG 3.33Å; F28-K32 PolarHBondContact O-N 3.47Å
29A96.3Very high96.9Very high59 Ų5956.8 Ų56.849%0.48829%0.288SS..Hα-helixtrans-67.1-45.8-178.500000110.9D27 R31 K32 I33D27-A29 VanDerWaalsContact C-N 3.33Å; D27-A29 PolarHBondContact O-N 3.05Å; D27-A29 WeakPolarHBondContact OD1-CB 3.33Å; D27-A29 PolarHBondContact OD1-N 3.32Å; D27-A29 VanDerWaalsContact OD1-N 3.1Å; A29-R31 VanDerWaalsContact C-N 3.32Å; A29-R31 PolarHBondContact O-N 2.98Å; A29-K32 PolarHBondContact O-N 3.03Å; A29-I33 PolarHBondContact O-N 2.88Å
30T95.9Very high96.9Very high19 Ų1954.2 Ų54.212%0.11728%0.275CS..Hα-helixtrans-58.8-43.9174.8-63.30000111.3I26 D27 K32 I33 A34 F58I26-T30 HydrophobicContact CG2-CG2 3.52Å; D27-T30 PolarHBondContact O-N 3.02Å; D27-T30 PolarHBondContact OD1-N 2.95Å; D27-T30 PolarHBondContact OD1-OG1 3.05Å; D27-T30 WeakPolarHBondContact OD2-CB 3.42Å; D27-T30 PolarHBondContact OD2-OG1 2.93Å; T30-K32 PolarHBondContact O-N 3.07Å; T30-I33 PolarHBondContact O-N 2.97Å; T30-A34 VanDerWaalsContact O-CB 3.26Å; T30-A34 WeakPolarHBondContact O-CB 3.34Å; T30-A34 PolarHBondContact O-N 2.88Å; T30-F58 HydrophobicContact CG2-CE1 4.42Å
31R97.1Very high96.9Very high31 Ų3155.2 Ų55.212%0.11728%0.279CS..Hα-helixtrans-60.8-45.1178.2-65.4-164.6-45.3-92.54112.3E18 M21 I26 D27 F28 A29 I33 A34 V35E18-R31 HydrophobicContact CG-CB 4.43Å; M21-R31 HydrophobicContact CB-CG 3.74Å; M21-R31 HydrophobicContact CE-CB 4Å; M21-R31 HydrophobicContact CE-CG 4.16Å; M21-R31 HydrophobicContact SD-CG 4.27Å; I26-R31 HydrophobicContact CB-CG 4.11Å; I26-R31 HydrophobicContact CG2-CG 3.81Å; I26-R31 WeakPolarHBondContact O-CD 3.27Å; I26-R31 PolarHBondContact O-NH1 2.81Å; D27-R31 WeakPolarHBondContact O-CG 3.11Å; D27-R31 PolarHBondContact O-N 2.93Å; F28-R31 PolarHBondContact O-N 2.87Å; A29-R31 VanDerWaalsContact C-N 3.32Å; A29-R31 PolarHBondContact O-N 2.98Å; R31-I33 VanDerWaalsContact C-N 3.28Å; R31-I33 PolarHBondContact O-N 2.73Å; R31-A34 PolarHBondContact O-N 2.84Å; R31-V35 WeakPolarHBondContact O-CG1 3.48Å; R31-V35 WeakPolarHBondContact O-CG2 3.37Å; R31-V35 PolarHBondContact O-N 2.79Å
32K96.1Very high96.9Very high80 Ų8056.8 Ų56.835%0.34829%0.289SS..Hα-helixtrans-64.5-31-179.7-71.2-55-178-160.50113.5E18 F28 A29 T30 V35 H36E18-K32 VanDerWaalsContact CD-NZ 3.27Å; E18-K32 WeakPolarHBondContact OE1-CE 3.41Å; E18-K32 IonicContact OE1-NZ 3.6Å; E18-K32 PolarHBondContact OE1-NZ 3.39Å; E18-K32 IonicContact OE2-NZ 2.78Å; E18-K32 PolarHBondContact OE2-NZ 2.86Å; F28-K32 HydrophobicContact CD1-CG 4.41Å; F28-K32 HydrophobicContact CD2-CG 4.44Å; F28-K32 HydrophobicContact CE1-CG 3.99Å; F28-K32 HydrophobicContact CE2-CD 4.3Å; F28-K32 HydrophobicContact CE2-CG 4.04Å; F28-K32 HydrophobicContact CZ-CD 4.26Å; F28-K32 HydrophobicContact CZ-CG 3.8Å; F28-K32 WeakPolarHBondContact O-CG 3.33Å; F28-K32 PolarHBondContact O-N 3.47Å; A29-K32 PolarHBondContact O-N 3.03Å; T30-K32 PolarHBondContact O-N 3.07Å; K32-V35 WeakPolarHBondContact O-CG2 3.34Å; K32-H36 PolarHBondContact O-CE1 2.85Å; K32-H36 PolarHBondContact O-ND1 3.02Å
33I96Very high96.9Very high79 Ų7951.1 Ų51.141%0.40527%0.265SS..Hα-helixtrans-72.9-51.7171-63.6167.9000109.6A29 T30 R31 V35 H36 L37 F58A29-I33 PolarHBondContact O-N 2.88Å; T30-I33 PolarHBondContact O-N 2.97Å; R31-I33 VanDerWaalsContact C-N 3.28Å; R31-I33 PolarHBondContact O-N 2.73Å; I33-V35 VanDerWaalsContact C-N 3.34Å; I33-V35 PolarHBondContact O-N 3.45Å; I33-H36 PolarHBondContact O-N 3.11Å; I33-H36 VanDerWaalsContact O-N 3.12Å; I33-L37 HydrophobicContact CG2-CD2 4.43Å; I33-F58 HydrophobicContact CD1-CZ 4.4Å; I33-F58 HydrophobicContact CG2-CB 4.44Å; I33-F58 HydrophobicContact CG2-CD1 4.1Å; I33-F58 HydrophobicContact CG2-CD2 4.26Å; I33-F58 HydrophobicContact CG2-CE1 4.42Å; I33-F58 HydrophobicContact CG2-CG 4.02Å
34A95.8Very high96.9Very high11 Ų1153.3 Ų53.39%0.09128%0.277CS..Hα-helixtrans-62-34.1-170.300000114.6F17 M21 T30 R31 H36 L37F17-A34 HydrophobicContact CE1-CB 4.14Å; M21-A34 HydrophobicContact CE-CB 3.87Å; M21-A34 HydrophobicContact SD-CB 3.6Å; M21-A34 VanDerWaalsContact SD-CB 3.6Å; T30-A34 VanDerWaalsContact O-CB 3.26Å; T30-A34 WeakPolarHBondContact O-CB 3.34Å; T30-A34 PolarHBondContact O-N 2.88Å; R31-A34 PolarHBondContact O-N 2.84Å; A34-H36 PolarHBondContact O-N 2.79Å; A34-L37 PolarHBondContact O-N 2.77Å
35V96.3Very high96.9Very high40 Ų4053.4 Ų53.424%0.24228%0.277CS..THydrogen-bonded Turntrans-65-23177.4-67.10000114.3E18 M21 R31 K32 I33E18-V35 HydrophobicContact CB-CG1 3.78Å; E18-V35 HydrophobicContact CG-CG1 4.32Å; M21-V35 HydrophobicContact CE-CG1 3.59Å; R31-V35 WeakPolarHBondContact O-CG1 3.48Å; R31-V35 WeakPolarHBondContact O-CG2 3.37Å; R31-V35 PolarHBondContact O-N 2.79Å; K32-V35 WeakPolarHBondContact O-CG2 3.34Å; I33-V35 VanDerWaalsContact C-N 3.34Å; I33-V35 PolarHBondContact O-N 3.45Å
36H94.9Very high96.9Very high156 Ų15653.7 Ų53.772%0.72228%0.278SS*.THydrogen-bonded Turntrans-95.80.8179.8-61.695.8000112.7K32 I33 A34K32-H36 PolarHBondContact O-CE1 2.85Å; K32-H36 PolarHBondContact O-ND1 3.02Å; I33-H36 PolarHBondContact O-N 3.11Å; I33-H36 VanDerWaalsContact O-N 3.12Å; A34-H36 PolarHBondContact O-N 2.79Å
37L94.9Very high96.8Very high25 Ų2555.4 Ų55.413%0.13130%0.301CS..PPolyproline II helixtrans-83.6131.4-178.9-60177.5000110.8I33 A34 T57 F58I33-L37 HydrophobicContact CG2-CD2 4.43Å; A34-L37 PolarHBondContact O-N 2.77Å; L37-T57 WeakPolarHBondContact CD2-OG1 3.19Å; L37-F58 HydrophobicContact CD1-CB 3.5Å; L37-F58 VanDerWaalsContact CD1-CB 3.5Å; L37-F58 HydrophobicContact CD1-CD1 4.29Å; L37-F58 HydrophobicContact CD1-CG 4.32Å; L37-F58 HydrophobicContact CD2-CB 4.1Å; L37-F58 HydrophobicContact CG-CB 4.46Å
38H95.3Very high96.8Very high102 Ų10254.8 Ų54.847%0.47230%0.298SS..PPolyproline II helixtrans-82.9120.2164.8-179.5-83.5000109.3M11M11-H38 PolarHBondContact N-NE2 3.09Å; M11-H38 PolarHBondContact O-CD2 2.93Å; M11-H38 PolarHBondContact O-NE2 3.25Å
39Q97.9Very high96.9Very high25 Ų2555.2 Ų55.212%0.11730%0.299CS..PPolyproline II helixtrans-95.3149.5179.9-59.5-178.1-8.600111.8M11 T54 L55 F131M11-Q39 HydrophobicContact CB-CB 4.47Å; M11-Q39 WeakPolarHBondContact CB-O 3.42Å; M11-Q39 HydrophobicContact CE-CB 3.7Å; M11-Q39 HydrophobicContact CE-CG 3.78Å; M11-Q39 PolarHBondContact N-O 3.39Å; M11-Q39 HydrophobicContact SD-CB 4.18Å; M11-Q39 HydrophobicContact SD-CG 4.28Å; Q39-T54 HydrophobicContact CB-CG2 4.24Å; Q39-T54 HydrophobicContact CG-CG2 4.43Å; Q39-L55 CarbonylContact C-O 3.56Å; Q39-L55 VanDerWaalsContact CA-O 3.29Å; Q39-L55 WeakPolarHBondContact CA-O 3.48Å; Q39-F131 HydrophobicContact CB-CE1 4.07Å
40T98.6Very high97Very high14 Ų1452.7 Ų52.79%0.08628%0.277CS..EExtended strand (participates in β ladder)trans-121.6129.1168-57.80000109.6R8 W9 E10 T54 L55R8-T40 HydrophobicContact CG-CG2 3.65Å; W9-T40 CarbonylContact O-C 3.55Å; W9-T40 VanDerWaalsContact O-CA 3.31Å; W9-T40 WeakPolarHBondContact O-CA 3.31Å; E10-T40 HydrophobicContact CG-CG2 4.24Å; T40-T54 CarbonylContact O-C 3.58Å; T40-T54 WeakPolarHBondContact O-CA 3.31Å; T40-L55 PolarHBondContact N-O 2.8Å; T40-L55 PolarHBondContact O-N 2.88Å
41K98.6Very high97.1Very high22 Ų2256.4 Ų56.410%0.09629%0.293CS..EExtended strand (participates in β ladder)trans-98.1133.6170.8-69.6179.9-178.3-730110.1R8 W9 K53 T54 L116 L118 F131R8-K41 CarbonylContact C-O 3.55Å; R8-K41 WeakPolarHBondContact CA-O 3.24Å; W9-K41 HydrophobicContact CB-CB 4.25Å; W9-K41 PolarHBondContact N-O 3.38Å; W9-K41 PolarHBondContact O-N 3.11Å; K41-K53 CarbonylContact C-O 3.59Å; K41-K53 VanDerWaalsContact CA-O 3.28Å; K41-K53 WeakPolarHBondContact CA-O 3.19Å; K41-T54 HydrophobicContact CG-CG2 4.48Å; K41-T54 PolarHBondContact NZ-OG1 3.06Å; K41-L116 HydrophobicContact CD-CD2 4.1Å; K41-L118 VanDerWaalsContact CE-CD2 3.41Å; K41-F131 HydrophobicContact CD-CD1 4.41Å; K41-F131 HydrophobicContact CD-CD2 4.32Å; K41-F131 HydrophobicContact CD-CE1 4.06Å; K41-F131 HydrophobicContact CD-CE2 3.97Å; K41-F131 HydrophobicContact CD-CZ 3.86Å; K41-F131 HydrophobicContact CG-CD1 4.33Å; K41-F131 HydrophobicContact CG-CE1 3.96Å; K41-F131 HydrophobicContact CG-CZ 4.21Å
42V98.6Very high97.2Very high40 Ų4056 Ų5624%0.24229%0.294CS..EExtended strand (participates in β ladder)trans-116.3122.1168.2-177.20000106.6R8 T52 K53 L55R8-V42 HydrophobicContact CG-CG2 4.33Å; V42-T52 WeakPolarHBondContact O-CA 3.36Å; V42-K53 HydrophobicContact CB-CB 4.36Å; V42-K53 PolarHBondContact N-O 3.4Å; V42-K53 PolarHBondContact O-N 2.78Å; V42-L55 HydrophobicContact CG2-CD1 4.05Å
43I98.7Very high97.3Very high10 Ų1055.9 Ų55.95%0.05129%0.293CS..EExtended strand (participates in β ladder)trans-122.8126-178.1-59.6174000107.9Y5 G7 F50 T52 L116Y5-I43 WeakPolarHBondContact O-CB 3.09Å; G7-I43 PolarHBondContact N-O 3.3Å; G7-I43 VanDerWaalsContact N-O 3.07Å; G7-I43 PolarHBondContact O-N 3.26Å; I43-F50 HydrophobicContact CG2-CD1 3.96Å; I43-F50 HydrophobicContact CG2-CE1 4.31Å; I43-T52 HydrophobicContact CG1-CG2 4.34Å; I43-T52 HydrophobicContact CG2-CG2 4.44Å; I43-L116 HydrophobicContact CD1-CD2 3.84Å
44V98.5Very high97.4Very high59 Ų5953.1 Ų53.136%0.35828%0.281SS..EExtended strand (participates in β ladder)trans-114119.7166.6-178.90000107.3N6 F50 E51N6-V44 WeakPolarHBondContact OD1-CA 3.32Å; V44-F50 WeakPolarHBondContact O-CA 3.29Å; V44-E51 HydrophobicContact CB-CB 4.33Å; V44-E51 PolarHBondContact N-O 3.06Å; V44-E51 PolarHBondContact O-N 2.86Å
45Q97.8Very high97.5Very high18 Ų1854.7 Ų54.78%0.08429%0.287CS..EExtended strand (participates in β ladder)trans-119.1120.3-178.3174.1-175.2-3.400109.6A3 N6 G47 K49 F50A3-Q45 PolarHBondContact O-NE2 3.01Å; A3-Q45 PolarHBondContact O-OE1 3.19Å; N6-Q45 PolarHBondContact ND2-O 3.12Å; N6-Q45 PolarHBondContact OD1-N 2.97Å; Q45-G47 WeakPolarHBondContact CG-O 3.33Å; Q45-G47 PolarHBondContact NE2-O 2.82Å; Q45-K49 WeakPolarHBondContact CA-O 2.78Å; Q45-F50 HydrophobicContact CB-CD1 4.09Å; Q45-F50 HydrophobicContact CB-CE1 3.83Å; Q45-F50 HydrophobicContact CB-CZ 4.11Å; Q45-F50 HydrophobicContact CG-CD1 4.27Å; Q45-F50 HydrophobicContact CG-CD2 4.35Å; Q45-F50 HydrophobicContact CG-CE1 3.71Å; Q45-F50 HydrophobicContact CG-CE2 3.78Å; Q45-F50 HydrophobicContact CG-CZ 3.44Å; Q45-F50 VanDerWaalsContact CG-CZ 3.44Å
46N97.3Very high97.5Very high105 Ų10553.9 Ų53.956%0.56128%0.283SS*.EExtended strand (participates in β ladder)trans-119.786176-66.9-50.5000109.1D48 K49N46-D48 PolarHBondContact O-N 2.89Å; N46-K49 PolarHBondContact N-O 2.76Å; N46-K49 PolarHBondContact O-N 2.84Å; N46-K49 VanDerWaalsContact O-N 3.11Å
47G95.4Very high97.5Very high55 Ų5553 Ų5357%0.56729%0.289SS*.THydrogen-bonded Turntrans65-117.6-169.600000110.5Q45Q45-G47 WeakPolarHBondContact CG-O 3.33Å; Q45-G47 PolarHBondContact NE2-O 2.82Å
48D96.6Very high97.4Very high74 Ų7456.1 Ų56.140%0.39630%0.302SS..THydrogen-bonded Turntrans-91.6-2.6176.3-68.8-43000113.6N46 F50 T66 V67 W89N46-D48 PolarHBondContact O-N 2.89Å; D48-F50 WeakPolarHBondContact O-CD2 3.18Å; D48-T66 HydrophobicContact CB-CG2 4.23Å; D48-T66 CarbonylContact O-C 3.3Å; D48-T66 VanDerWaalsContact O-CA 3.3Å; D48-T66 WeakPolarHBondContact O-CA 3.43Å; D48-V67 HydrophobicContact CB-CB 4.04Å; D48-V67 HydrophobicContact CB-CG2 4.44Å; D48-V67 PolarHBondContact O-N 2.85Å; D48-W89 PolarHBondContact OD1-NE1 2.9Å
49K98.2Very high97.3Very high136 Ų13655.8 Ų55.859%0.59130%0.296SS*.EExtended strand (participates in β ladder)trans-89.7122.6176.2-65.6-176.8178.7-177.40110.2Q45 N46 T66Q45-K49 WeakPolarHBondContact CA-O 2.78Å; N46-K49 PolarHBondContact N-O 2.76Å; N46-K49 PolarHBondContact O-N 2.84Å; N46-K49 VanDerWaalsContact O-N 3.11Å; K49-T66 HydrophobicContact CG-CG2 4.24Å
50F98.6Very high97.2Very high5 Ų559.1 Ų59.12%0.02232%0.315CS..EExtended strand (participates in β ladder)trans-116.7132.6-179.9-76.4-106.1000110.6Y5 I43 V44 Q45 D48 T52 N64 F65 V67 W89 L94Y5-F50 HydrophobicContact CD2-CE1 4.38Å; Y5-F50 HydrophobicContact CG-CE1 4.35Å; I43-F50 HydrophobicContact CG2-CD1 3.96Å; I43-F50 HydrophobicContact CG2-CE1 4.31Å; V44-F50 WeakPolarHBondContact O-CA 3.29Å; Q45-F50 HydrophobicContact CB-CD1 4.09Å; Q45-F50 HydrophobicContact CB-CE1 3.83Å; Q45-F50 HydrophobicContact CB-CZ 4.11Å; Q45-F50 HydrophobicContact CG-CD1 4.27Å; Q45-F50 HydrophobicContact CG-CD2 4.35Å; Q45-F50 HydrophobicContact CG-CE1 3.71Å; Q45-F50 HydrophobicContact CG-CE2 3.78Å; Q45-F50 HydrophobicContact CG-CZ 3.44Å; Q45-F50 VanDerWaalsContact CG-CZ 3.44Å; D48-F50 WeakPolarHBondContact O-CD2 3.18Å; F50-T52 HydrophobicContact CB-CG2 4.22Å; F50-N64 CarbonylContact O-C 3.55Å; F50-N64 WeakPolarHBondContact O-CA 3.36Å; F50-F65 HydrophobicContact CB-CD1 4.24Å; F50-F65 HydrophobicContact CB-CD2 3.98Å; F50-F65 HydrophobicContact CB-CE1 3.84Å; F50-F65 HydrophobicContact CB-CE2 3.55Å; F50-F65 HydrophobicContact CB-CG 4.31Å; F50-F65 HydrophobicContact CB-CZ 3.47Å; F50-F65 VanDerWaalsContact CB-CZ 3.47Å; F50-F65 HydrophobicContact CD1-CE2 4.33Å; F50-F65 HydrophobicContact CD1-CZ 4.06Å; F50-F65 HydrophobicContact CD2-CD2 4.34Å; F50-F65 AromaticContact CD2-CE2 3.67Å; F50-F65 HydrophobicContact CD2-CE2 3.67Å; F50-F65 HydrophobicContact CD2-CZ 4.21Å; F50-F65 HydrophobicContact CE2-CE2 4.47Å; F50-F65 HydrophobicContact CG-CD2 4.39Å; F50-F65 HydrophobicContact CG-CE1 4.49Å; F50-F65 AromaticContact CG-CE2 3.6Å; F50-F65 HydrophobicContact CG-CE2 3.6Å; F50-F65 AromaticContact CG-CZ 3.66Å; F50-F65 HydrophobicContact CG-CZ 3.66Å; F50-F65 PolarHBondContact N-O 3.17Å; F50-F65 PolarHBondContact O-N 3.09Å; F50-V67 HydrophobicContact CD2-CG2 3.87Å; F50-V67 HydrophobicContact CE2-CG2 3.62Å; F50-W89 HydrophobicContact CE2-CZ2 4.09Å; F50-W89 HydrophobicContact CZ-CH2 4.02Å; F50-W89 AromaticContact CZ-CZ2 3.86Å; F50-W89 HydrophobicContact CZ-CZ2 3.86Å; F50-L94 HydrophobicContact CD1-CD1 4.36Å; F50-L94 HydrophobicContact CE1-CD1 3.65Å; F50-L94 HydrophobicContact CZ-CD1 3.76Å; F50-L94 HydrophobicContact CZ-CD2 4.33Å
51E98.6Very high97.1Very high98 Ų9859.9 Ų59.946%0.45832%0.316SS..EExtended strand (participates in β ladder)trans-113.9118.4164.2-59.8177.2-153.800108V44 N64V44-E51 HydrophobicContact CB-CB 4.33Å; V44-E51 PolarHBondContact N-O 3.06Å; V44-E51 PolarHBondContact O-N 2.86Å; E51-N64 VanDerWaalsContact CA-OD1 3.24Å; E51-N64 WeakPolarHBondContact CA-OD1 3.36Å
52T98.4Very high97.1Very high21 Ų2163.8 Ų63.813%0.12934%0.335CS..EExtended strand (participates in β ladder)trans-125.8137.4-174.9780000111.4V42 I43 F50 E62 V63 N64 F65V42-T52 WeakPolarHBondContact O-CA 3.36Å; I43-T52 HydrophobicContact CG1-CG2 4.34Å; I43-T52 HydrophobicContact CG2-CG2 4.44Å; F50-T52 HydrophobicContact CB-CG2 4.22Å; T52-E62 WeakPolarHBondContact O-CA 3.24Å; T52-V63 WeakPolarHBondContact CB-O 3.39Å; T52-V63 PolarHBondContact N-O 3.32Å; T52-V63 VanDerWaalsContact N-O 3.09Å; T52-V63 PolarHBondContact O-N 2.82Å; T52-V63 WeakPolarHBondContact OG1-CG1 3.4Å; T52-V63 PolarHBondContact OG1-O 2.98Å; T52-N64 PolarHBondContact N-OD1 2.83Å; T52-F65 HydrophobicContact CG2-CE1 3.92Å; T52-F65 HydrophobicContact CG2-CZ 4.43Å
53K98.4Very high97Very high78 Ų7862.8 Ų62.834%0.33933%0.329SS..EExtended strand (participates in β ladder)trans-129.1124.4175.7-52.1-171.5176.7-132.80109.1K41 V42 L55 Y61 E62K41-K53 CarbonylContact C-O 3.59Å; K41-K53 VanDerWaalsContact CA-O 3.28Å; K41-K53 WeakPolarHBondContact CA-O 3.19Å; V42-K53 HydrophobicContact CB-CB 4.36Å; V42-K53 PolarHBondContact N-O 3.4Å; V42-K53 PolarHBondContact O-N 2.78Å; K53-L55 HydrophobicContact CB-CD2 4.2Å; K53-L55 HydrophobicContact CB-CG 4.49Å; K53-Y61 CarbonylContact C-O 3.56Å; K53-Y61 WeakPolarHBondContact CA-O 3.05Å; K53-E62 HydrophobicContact CB-CG 4.28Å; K53-E62 HydrophobicContact CD-CG 4.3Å; K53-E62 WeakPolarHBondContact CD-OE1 3.47Å; K53-E62 WeakPolarHBondContact CE-OE1 3.36Å; K53-E62 HydrophobicContact CG-CG 3.89Å; K53-E62 IonicContact NZ-OE1 3.88Å; K53-E62 PolarHBondContact NZ-OE1 2.87Å; K53-E62 IonicContact NZ-OE2 3.69Å; K53-E62 PolarHBondContact NZ-OE2 2.81Å
54T98.2Very high97Very high22 Ų2266.3 Ų66.314%0.13535%0.348CS..EExtended strand (participates in β ladder)trans-103.7117.9167.8-57.80000108.1Q39 T40 K41 N60 Y61Q39-T54 HydrophobicContact CB-CG2 4.24Å; Q39-T54 HydrophobicContact CG-CG2 4.43Å; T40-T54 CarbonylContact O-C 3.58Å; T40-T54 WeakPolarHBondContact O-CA 3.31Å; K41-T54 HydrophobicContact CG-CG2 4.48Å; K41-T54 PolarHBondContact NZ-OG1 3.06Å; T54-N60 CarbonylContact O-C 3.57Å; T54-N60 VanDerWaalsContact O-CA 3.29Å; T54-N60 WeakPolarHBondContact O-CA 3.47Å; T54-Y61 PolarHBondContact N-O 3.39Å; T54-Y61 PolarHBondContact O-N 2.88Å
55L98.1Very high97Very high43 Ų4364.2 Ų64.223%0.22533%0.334CS..EExtended strand (participates in β ladder)trans-111140.3-172.3-53175.5000110.6Q39 T40 V42 K53 N60Q39-L55 CarbonylContact C-O 3.56Å; Q39-L55 VanDerWaalsContact CA-O 3.29Å; Q39-L55 WeakPolarHBondContact CA-O 3.48Å; T40-L55 PolarHBondContact N-O 2.8Å; T40-L55 PolarHBondContact O-N 2.88Å; V42-L55 HydrophobicContact CG2-CD1 4.05Å; K53-L55 HydrophobicContact CB-CD2 4.2Å; K53-L55 HydrophobicContact CB-CG 4.49Å; L55-N60 VanDerWaalsContact CA-OD1 3.25Å; L55-N60 WeakPolarHBondContact CA-OD1 3.28Å; L55-N60 HydrophobicContact CD2-CB 4.11Å
56S97Very high97Very high24 Ų2465 Ų6517%0.16834%0.34CS..  trans-148.5172.4169.176.10000110.4F58 R59 N60S56-F58 PolarHBondContact O-N 2.88Å; S56-F58 PolarHBondContact OG-N 2.71Å; S56-R59 PolarHBondContact OG-N 3.09Å; S56-R59 PolarHBondContact OG-O 3.03Å; S56-N60 PolarHBondContact N-OD1 2.51Å; S56-N60 PolarHBondContact O-OD1 2.52Å
57T94.8Very high97.1Very high137 Ų13760.8 Ų60.884%0.8432%0.318SS*.SBendtrans-71.5-11.5175.351.40000113.6L37L37-T57 WeakPolarHBondContact CD2-OG1 3.19Å
58F92.6Very high97.2Very high90 Ų9060.7 Ų60.740%0.39532%0.317SS..SBendtrans-107.7-55.7-177.3-175.2-124.5000112.6T30 I33 L37 S56T30-F58 HydrophobicContact CG2-CE1 4.42Å; I33-F58 HydrophobicContact CD1-CZ 4.4Å; I33-F58 HydrophobicContact CG2-CB 4.44Å; I33-F58 HydrophobicContact CG2-CD1 4.1Å; I33-F58 HydrophobicContact CG2-CD2 4.26Å; I33-F58 HydrophobicContact CG2-CE1 4.42Å; I33-F58 HydrophobicContact CG2-CG 4.02Å; L37-F58 HydrophobicContact CD1-CB 3.5Å; L37-F58 VanDerWaalsContact CD1-CB 3.5Å; L37-F58 HydrophobicContact CD1-CD1 4.29Å; L37-F58 HydrophobicContact CD1-CG 4.32Å; L37-F58 HydrophobicContact CD2-CB 4.1Å; L37-F58 HydrophobicContact CG-CB 4.46Å; S56-F58 PolarHBondContact O-N 2.88Å; S56-F58 PolarHBondContact OG-N 2.71Å
59R92Very high97.3Very high96 Ų9662.8 Ų62.836%0.36232%0.324SS..  trans-141.3143.4-179.3-66.3-174.5-171.7172.23.5110.9S56 G77S56-R59 PolarHBondContact OG-N 3.09Å; S56-R59 PolarHBondContact OG-O 3.03Å; R59-G77 WeakPolarHBondContact CD-O 3.15Å; R59-G77 PolarHBondContact NH1-O 3.01Å
60N96.1Very high97.3Very high95 Ų9560.6 Ų60.651%0.50832%0.316SS..  trans-109.9149173.4-60.2-28.6000109.1T54 L55 S56T54-N60 CarbonylContact O-C 3.57Å; T54-N60 VanDerWaalsContact O-CA 3.29Å; T54-N60 WeakPolarHBondContact O-CA 3.47Å; L55-N60 VanDerWaalsContact CA-OD1 3.25Å; L55-N60 WeakPolarHBondContact CA-OD1 3.28Å; L55-N60 HydrophobicContact CD2-CB 4.11Å; S56-N60 PolarHBondContact N-OD1 2.51Å; S56-N60 PolarHBondContact O-OD1 2.52Å
61Y97.4Very high97.3Very high30 Ų3062.6 Ų62.612%0.11833%0.325CS..EExtended strand (participates in β ladder)trans-133.6130177.6-175.5-115.5000109.6K53 T54 V63 E73 L78K53-Y61 CarbonylContact C-O 3.56Å; K53-Y61 WeakPolarHBondContact CA-O 3.05Å; T54-Y61 PolarHBondContact N-O 3.39Å; T54-Y61 PolarHBondContact O-N 2.88Å; Y61-V63 HydrophobicContact CE1-CB 3.97Å; Y61-V63 HydrophobicContact CE1-CG1 3.97Å; Y61-E73 VanDerWaalsContact OH-CD 3.23Å; Y61-E73 WeakPolarHBondContact OH-CG 3.3Å; Y61-E73 PolarHBondContact OH-OE1 2.92Å; Y61-L78 HydrophobicContact CD1-CD1 3.92Å; Y61-L78 HydrophobicContact CD2-CD1 3.96Å; Y61-L78 HydrophobicContact CD2-CG 4.18Å; Y61-L78 HydrophobicContact CE1-CD1 4.11Å; Y61-L78 HydrophobicContact CE2-CD1 4.19Å; Y61-L78 HydrophobicContact CG-CD1 3.82Å; Y61-L78 HydrophobicContact CG-CG 4.29Å
62E97.4Very high97.3Very high104 Ų10465.4 Ų65.449%0.48634%0.338SS..EExtended strand (participates in β ladder)trans-121133.3178.2-55.8-165.5176.400108.9T52 K53T52-E62 WeakPolarHBondContact O-CA 3.24Å; K53-E62 HydrophobicContact CB-CG 4.28Å; K53-E62 HydrophobicContact CD-CG 4.3Å; K53-E62 WeakPolarHBondContact CD-OE1 3.47Å; K53-E62 WeakPolarHBondContact CE-OE1 3.36Å; K53-E62 HydrophobicContact CG-CG 3.89Å; K53-E62 IonicContact NZ-OE1 3.88Å; K53-E62 PolarHBondContact NZ-OE1 2.87Å; K53-E62 IonicContact NZ-OE2 3.69Å; K53-E62 PolarHBondContact NZ-OE2 2.81Å
63V97.4Very high97.3Very high19 Ų1964.9 Ų64.912%0.11533%0.334CS..EExtended strand (participates in β ladder)trans-143.2126.3174.163.20000108.9T52 Y61 F71 E73T52-V63 WeakPolarHBondContact CB-O 3.39Å; T52-V63 PolarHBondContact N-O 3.32Å; T52-V63 VanDerWaalsContact N-O 3.09Å; T52-V63 PolarHBondContact O-N 2.82Å; T52-V63 WeakPolarHBondContact OG1-CG1 3.4Å; T52-V63 PolarHBondContact OG1-O 2.98Å; Y61-V63 HydrophobicContact CE1-CB 3.97Å; Y61-V63 HydrophobicContact CE1-CG1 3.97Å; V63-F71 HydrophobicContact CG2-CE2 3.72Å; V63-F71 HydrophobicContact CG2-CZ 3.8Å; V63-E73 HydrophobicContact CG2-CG 4.21Å
64N98.1Very high97.3Very high84 Ų8465.4 Ų65.445%0.44934%0.338SS..EExtended strand (participates in β ladder)trans-116.7137.9178.4-60.7-9.8000108.2F50 E51 T52F50-N64 CarbonylContact O-C 3.55Å; F50-N64 WeakPolarHBondContact O-CA 3.36Å; E51-N64 VanDerWaalsContact CA-OD1 3.24Å; E51-N64 WeakPolarHBondContact CA-OD1 3.36Å; T52-N64 PolarHBondContact N-OD1 2.83Å
65F98.6Very high97.2Very high14 Ų1464.4 Ų64.46%0.06133%0.332CS..EExtended strand (participates in β ladder)trans-152158.5-175.658-93.6000111.3F50 T52 V67 F71 V87 W107F50-F65 HydrophobicContact CB-CD1 4.24Å; F50-F65 HydrophobicContact CB-CD2 3.98Å; F50-F65 HydrophobicContact CB-CE1 3.84Å; F50-F65 HydrophobicContact CB-CE2 3.55Å; F50-F65 HydrophobicContact CB-CG 4.31Å; F50-F65 HydrophobicContact CB-CZ 3.47Å; F50-F65 VanDerWaalsContact CB-CZ 3.47Å; F50-F65 HydrophobicContact CD1-CE2 4.33Å; F50-F65 HydrophobicContact CD1-CZ 4.06Å; F50-F65 HydrophobicContact CD2-CD2 4.34Å; F50-F65 AromaticContact CD2-CE2 3.67Å; F50-F65 HydrophobicContact CD2-CE2 3.67Å; F50-F65 HydrophobicContact CD2-CZ 4.21Å; F50-F65 HydrophobicContact CE2-CE2 4.47Å; F50-F65 HydrophobicContact CG-CD2 4.39Å; F50-F65 HydrophobicContact CG-CE1 4.49Å; F50-F65 AromaticContact CG-CE2 3.6Å; F50-F65 HydrophobicContact CG-CE2 3.6Å; F50-F65 AromaticContact CG-CZ 3.66Å; F50-F65 HydrophobicContact CG-CZ 3.66Å; F50-F65 PolarHBondContact N-O 3.17Å; F50-F65 PolarHBondContact O-N 3.09Å; T52-F65 HydrophobicContact CG2-CE1 3.92Å; T52-F65 HydrophobicContact CG2-CZ 4.43Å; F65-V67 HydrophobicContact CD2-CG2 4.4Å; F65-V67 HydrophobicContact CE2-CG2 4.09Å; F65-F71 HydrophobicContact CB-CD1 4.01Å; F65-F71 HydrophobicContact CB-CE1 3.48Å; F65-F71 VanDerWaalsContact CB-CE1 3.48Å; F65-F71 HydrophobicContact CB-CZ 3.82Å; F65-F71 HydrophobicContact CG-CE1 4.36Å; F65-V87 HydrophobicContact CD1-CG2 4.27Å; F65-V87 HydrophobicContact CD2-CB 3.83Å; F65-V87 HydrophobicContact CD2-CG1 4.19Å; F65-V87 HydrophobicContact CD2-CG2 3.69Å; F65-V87 HydrophobicContact CE1-CG2 4.4Å; F65-V87 HydrophobicContact CE2-CB 3.87Å; F65-V87 HydrophobicContact CE2-CG1 3.69Å; F65-V87 HydrophobicContact CE2-CG2 3.85Å; F65-V87 HydrophobicContact CG-CG2 3.92Å; F65-V87 HydrophobicContact CZ-CG1 4.22Å; F65-V87 HydrophobicContact CZ-CG2 4.21Å; F65-W107 HydrophobicContact CE1-CH2 4.32Å; F65-W107 HydrophobicContact CE1-CZ2 4.4Å; F65-W107 HydrophobicContact CZ-CH2 4.08Å
66T98.6Very high97Very high34 Ų3469.4 Ų69.421%0.20935%0.351CS..EExtended strand (participates in β ladder)trans-105.4130.5164.1-46.20000107.9D48 K49 G68 E69D48-T66 HydrophobicContact CB-CG2 4.23Å; D48-T66 CarbonylContact O-C 3.3Å; D48-T66 VanDerWaalsContact O-CA 3.3Å; D48-T66 WeakPolarHBondContact O-CA 3.43Å; K49-T66 HydrophobicContact CG-CG2 4.24Å; T66-G68 PolarHBondContact O-N 3.22Å; T66-E69 WeakPolarHBondContact CB-OE2 3.45Å; T66-E69 HydrophobicContact CG2-CG 4.2Å; T66-E69 PolarHBondContact O-N 3.2Å; T66-E69 PolarHBondContact OG1-OE2 3.02Å; T66-E69 VanDerWaalsContact OG1-OE2 3.06Å
67V98.4Very high96.6Very high17 Ų1769.3 Ų69.310%0.10336%0.355CS..THydrogen-bonded Turntrans-61.2133176.6-175.40000109.7D48 F50 F65 V87 W89 L94D48-V67 HydrophobicContact CB-CB 4.04Å; D48-V67 HydrophobicContact CB-CG2 4.44Å; D48-V67 PolarHBondContact O-N 2.85Å; F50-V67 HydrophobicContact CD2-CG2 3.87Å; F50-V67 HydrophobicContact CE2-CG2 3.62Å; F65-V67 HydrophobicContact CD2-CG2 4.4Å; F65-V67 HydrophobicContact CE2-CG2 4.09Å; V67-V87 WeakPolarHBondContact CG1-O 3.28Å; V67-W89 HydrophobicContact CG1-CG 4.09Å; V67-L94 HydrophobicContact CG2-CD2 3.89Å
68G98.4Very high96.6Very high53 Ų5366.3 Ų66.355%0.54633%0.333SS..THydrogen-bonded Turntrans87.8-7.6-177.200000115.2T66 V87T66-G68 PolarHBondContact O-N 3.22Å; G68-V87 PolarHBondContact N-O 3.41Å
69E98.7Very high96.7Very high118 Ų11863 Ų6355%0.55132%0.319SS*.  trans-106.7122.2179.1-60.7-177.8170.100110.6T66T66-E69 WeakPolarHBondContact CB-OE2 3.45Å; T66-E69 HydrophobicContact CG2-CG 4.2Å; T66-E69 PolarHBondContact O-N 3.2Å; T66-E69 PolarHBondContact OG1-OE2 3.02Å; T66-E69 VanDerWaalsContact OG1-OE2 3.06Å
70E98.7Very high97Very high91 Ų9163 Ų6343%0.42533%0.326SS..  trans-74.1136.1174.8-168.2177.184.300109.7K84 S85 L86 K99E70-K84 HydrophobicContact CG-CB 4.25Å; E70-S85 WeakPolarHBondContact CA-O 3.41Å; E70-L86 HydrophobicContact CB-CB 4.43Å; E70-L86 HydrophobicContact CB-CD1 4.38Å; E70-L86 HydrophobicContact CG-CB 4.38Å; E70-K99 IonicContact OE2-NZ 3.86Å; E70-K99 PolarHBondContact OE2-NZ 2.83Å
71F98.7Very high97Very high46 Ų4660.2 Ų60.220%0.20231%0.309CS..EExtended strand (participates in β ladder)trans-138.3159.7-178.468.4-79.4000112.2V63 F65 E73 K84 S85 V87V63-F71 HydrophobicContact CG2-CE2 3.72Å; V63-F71 HydrophobicContact CG2-CZ 3.8Å; F65-F71 HydrophobicContact CB-CD1 4.01Å; F65-F71 HydrophobicContact CB-CE1 3.48Å; F65-F71 VanDerWaalsContact CB-CE1 3.48Å; F65-F71 HydrophobicContact CB-CZ 3.82Å; F65-F71 HydrophobicContact CG-CE1 4.36Å; F71-E73 HydrophobicContact CD2-CB 4.26Å; F71-E73 HydrophobicContact CE2-CB 3.69Å; F71-E73 HydrophobicContact CE2-CG 4.15Å; F71-E73 HydrophobicContact CZ-CB 4.38Å; F71-K84 WeakPolarHBondContact O-CA 3.48Å; F71-S85 WeakPolarHBondContact CD1-O 3.28Å; F71-S85 PolarHBondContact N-O 3.05Å; F71-S85 PolarHBondContact O-N 2.77Å; F71-V87 HydrophobicContact CE1-CG2 4.43Å
72E98.4Very high97.1Very high157 Ų15766.4 Ų66.473%0.73434%0.337SS*.EExtended strand (participates in β ladder)trans-80.4119170.4-67.1-168.5174.200110.2
73E98.4Very high97.1Very high10 Ų1061.8 Ų61.85%0.04732%0.315CS..EExtended strand (participates in β ladder)trans-107.1130176.2-174.8-178.4176.100109.5Y61 V63 F71 T75 K82 V83 S85 Q98Y61-E73 VanDerWaalsContact OH-CD 3.23Å; Y61-E73 WeakPolarHBondContact OH-CG 3.3Å; Y61-E73 PolarHBondContact OH-OE1 2.92Å; V63-E73 HydrophobicContact CG2-CG 4.21Å; F71-E73 HydrophobicContact CD2-CB 4.26Å; F71-E73 HydrophobicContact CE2-CB 3.69Å; F71-E73 HydrophobicContact CE2-CG 4.15Å; F71-E73 HydrophobicContact CZ-CB 4.38Å; E73-T75 HydrophobicContact CG-CG2 4.29Å; E73-K82 WeakPolarHBondContact O-CA 3.37Å; E73-V83 HydrophobicContact CB-CG2 3.84Å; E73-V83 HydrophobicContact CG-CG2 4.39Å; E73-V83 PolarHBondContact N-O 3.04Å; E73-V83 PolarHBondContact O-N 2.9Å; E73-S85 WeakPolarHBondContact CB-OG 3.24Å; E73-S85 VanDerWaalsContact OE2-CB 3.3Å; E73-S85 WeakPolarHBondContact OE2-CB 3.37Å; E73-S85 PolarHBondContact OE2-OG 3.48Å; E73-Q98 VanDerWaalsContact CD-NE2 3.26Å; E73-Q98 PolarHBondContact OE1-NE2 3.17Å; E73-Q98 VanDerWaalsContact OE1-NE2 3.17Å; E73-Q98 PolarHBondContact OE2-NE2 3.35Å
74H97.8Very high97.2Very high90 Ų9066.1 Ų66.142%0.41733%0.333SS..EExtended strand (participates in β ladder)trans-109.9111.1170.7-176.6-170.3000109.3K76 R81H74-K76 PolarHBondContact O-N 2.83Å; H74-R81 WeakPolarHBondContact CA-O 3.33Å; H74-R81 PolarHBondContact CD2-O 2.76Å
75T96.6Very high97.2Very high1 Ų162.1 Ų62.11%0.00631%0.311CS..  trans-8045.6-176.859.70000111.9E73 G77 L78 D79 N80 R81E73-T75 HydrophobicContact CG-CG2 4.29Å; T75-G77 PolarHBondContact O-N 3.02Å; T75-L78 WeakPolarHBondContact O-CA 3.5Å; T75-L78 WeakPolarHBondContact O-CB 3.5Å; T75-L78 PolarHBondContact O-N 3.47Å; T75-D79 VanDerWaalsContact CB-OD1 3.24Å; T75-D79 WeakPolarHBondContact CB-OD1 3.33Å; T75-D79 PolarHBondContact OG1-OD1 3.41Å; T75-N80 PolarHBondContact O-N 3.4Å; T75-R81 PolarHBondContact N-O 3.3Å; T75-R81 PolarHBondContact OG1-N 2.84Å; T75-R81 PolarHBondContact OG1-O 2.88Å; T75-R81 VanDerWaalsContact OG1-O 3.13Å
76K93.5Very high97.2Very high147 Ų14763.8 Ų63.864%0.63932%0.32SS*.THydrogen-bonded Turntrans-59.5132.6-176.7-173.6-179.4179-177.10110.4H74 L78 N80H74-K76 PolarHBondContact O-N 2.83Å; K76-L78 PolarHBondContact O-N 2.75Å; K76-N80 WeakPolarHBondContact CA-OD1 3.4Å
77G87.9Confident97.2Very high23 Ų2362.1 Ų62.124%0.23731%0.31CS..THydrogen-bonded Turntrans77.6-3.2-176.200000114R59 T75 N80R59-G77 WeakPolarHBondContact CD-O 3.15Å; R59-G77 PolarHBondContact NH1-O 3.01Å; T75-G77 PolarHBondContact O-N 3.02Å; G77-N80 PolarHBondContact N-OD1 2.91Å
78L94.2Very high97.2Very high74 Ų7464.1 Ų64.139%0.38732%0.323SS..THydrogen-bonded Turntrans-100.7-106.8165.1-54.4179000108Y61 T75 K76Y61-L78 HydrophobicContact CD1-CD1 3.92Å; Y61-L78 HydrophobicContact CD2-CD1 3.96Å; Y61-L78 HydrophobicContact CD2-CG 4.18Å; Y61-L78 HydrophobicContact CE1-CD1 4.11Å; Y61-L78 HydrophobicContact CE2-CD1 4.19Å; Y61-L78 HydrophobicContact CG-CD1 3.82Å; Y61-L78 HydrophobicContact CG-CG 4.29Å; T75-L78 WeakPolarHBondContact O-CA 3.5Å; T75-L78 WeakPolarHBondContact O-CB 3.5Å; T75-L78 PolarHBondContact O-N 3.47Å; K76-L78 PolarHBondContact O-N 2.75Å
79D96.4Very high97.2Very high19 Ų1964.5 Ų64.510%0.10231%0.308CS..THydrogen-bonded Turntrans-95.82.5175.570.2-47.1000113.7L24 I26 T75 R81 R105L24-D79 HydrophobicContact CB-CB 4.29Å; I26-D79 HydrophobicContact CD1-CB 4.43Å; I26-D79 HydrophobicContact CG1-CB 4.12Å; T75-D79 VanDerWaalsContact CB-OD1 3.24Å; T75-D79 WeakPolarHBondContact CB-OD1 3.33Å; T75-D79 PolarHBondContact OG1-OD1 3.41Å; D79-R81 VanDerWaalsContact C-N 3.34Å; D79-R81 PolarHBondContact O-N 2.74Å; D79-R81 VanDerWaalsContact OD2-CD 3.28Å; D79-R81 WeakPolarHBondContact OD2-CD 3.46Å; D79-R81 WeakPolarHBondContact OD2-CG 3.45Å; D79-R81 IonicContact OD2-CZ 3.04Å; D79-R81 IonicContact OD2-NE 2.89Å; D79-R81 IonicContact OD2-NH1 2.77Å; D79-R81 PolarHBondContact OD2-NH1 2.77Å; D79-R105 IonicContact OD1-CZ 3.03Å; D79-R105 IonicContact OD1-NH1 3.69Å; D79-R105 IonicContact OD1-NH2 2.75Å; D79-R105 PolarHBondContact OD1-NH2 3.03Å; D79-R105 IonicContact OD2-CZ 2.73Å; D79-R105 IonicContact OD2-NH1 3.48Å; D79-R105 PolarHBondContact OD2-NH1 3.34Å; D79-R105 IonicContact OD2-NH2 3.74Å; D79-R105 PolarHBondContact OD2-NH2 2.98Å
80N96.5Very high97.1Very high96 Ų9663.7 Ų63.751%0.51331%0.307SS..  trans5540.4175.3-60.1-60.3000114.7T75 K76 G77T75-N80 PolarHBondContact O-N 3.4Å; K76-N80 WeakPolarHBondContact CA-OD1 3.4Å; G77-N80 PolarHBondContact N-OD1 2.91Å
81R97.8Very high96.9Very high37 Ų3762.6 Ų62.614%0.1432%0.32CS..  trans-105.1154.3176.6-69.4-169.9172.687.5-5.3111.5L24 D25 H74 T75 D79 V83 E101L24-R81 PolarHBondContact O-NH1 2.92Å; D25-R81 IonicContact OD2-CZ 2.74Å; D25-R81 IonicContact OD2-NH2 3.04Å; D25-R81 PolarHBondContact OD2-NH2 2.86Å; H74-R81 WeakPolarHBondContact CA-O 3.33Å; H74-R81 PolarHBondContact CD2-O 2.76Å; T75-R81 PolarHBondContact N-O 3.3Å; T75-R81 PolarHBondContact OG1-N 2.84Å; T75-R81 PolarHBondContact OG1-O 2.88Å; T75-R81 VanDerWaalsContact OG1-O 3.13Å; D79-R81 VanDerWaalsContact C-N 3.34Å; D79-R81 PolarHBondContact O-N 2.74Å; D79-R81 VanDerWaalsContact OD2-CD 3.28Å; D79-R81 WeakPolarHBondContact OD2-CD 3.46Å; D79-R81 WeakPolarHBondContact OD2-CG 3.45Å; D79-R81 IonicContact OD2-CZ 3.04Å; D79-R81 IonicContact OD2-NE 2.89Å; D79-R81 IonicContact OD2-NH1 2.77Å; D79-R81 PolarHBondContact OD2-NH1 2.77Å; R81-V83 HydrophobicContact CB-CG1 4.47Å; R81-E101 IonicContact CZ-OE1 2.96Å; R81-E101 IonicContact CZ-OE2 3.61Å; R81-E101 IonicContact NE-OE1 2.84Å; R81-E101 IonicContact NE-OE2 2.81Å; R81-E101 PolarHBondContact NE-OE2 3.05Å; R81-E101 IonicContact NH2-OE1 3.98Å; R81-E101 PolarHBondContact NH2-OE1 2.64Å; R81-E101 IonicContact NH2-OE2 2.66Å
82K97.9Very high96.7Very high161 Ų16164.6 Ų64.670%0.733%0.333SS*.EExtended strand (participates in β ladder)trans-98.9126.2165.1-64.3-173.3178.6-1740108.7E73E73-K82 WeakPolarHBondContact O-CA 3.37Å
83V98.4Very high96.7Very high6 Ų661 Ų614%0.03632%0.315CS..EExtended strand (participates in β ladder)trans-131.6159.7179.5-61.50000109.6E73 R81 Q98 K99E73-V83 HydrophobicContact CB-CG2 3.84Å; E73-V83 HydrophobicContact CG-CG2 4.39Å; E73-V83 PolarHBondContact N-O 3.04Å; E73-V83 PolarHBondContact O-N 2.9Å; R81-V83 HydrophobicContact CB-CG1 4.47Å; V83-Q98 HydrophobicContact CB-CB 4.39Å; V83-Q98 HydrophobicContact CG2-CB 4.06Å; V83-Q98 HydrophobicContact CG2-CG 4.42Å; V83-K99 WeakPolarHBondContact CA-O 3.15Å; V83-K99 WeakPolarHBondContact CB-O 3.29Å
84K98.6Very high96.7Very high110 Ų11060.7 Ų60.748%0.47831%0.313SS..EExtended strand (participates in β ladder)trans-97.2117.4168.2-68.8-172.2173-163.80108.9E70 F71 K99E70-K84 HydrophobicContact CG-CB 4.25Å; F71-K84 WeakPolarHBondContact O-CA 3.48Å; K84-K99 HydrophobicContact CB-CB 4.41Å; K84-K99 PolarHBondContact N-O 2.96Å; K84-K99 PolarHBondContact O-N 3.03Å
85S98.8Very high96.7Very high0 Ų057.6 Ų57.60%030%0.301CS..EExtended strand (participates in β ladder)trans-110.7134.8-173.5-65.50000110.4E70 F71 E73 V97E70-S85 WeakPolarHBondContact CA-O 3.41Å; F71-S85 WeakPolarHBondContact CD1-O 3.28Å; F71-S85 PolarHBondContact N-O 3.05Å; F71-S85 PolarHBondContact O-N 2.77Å; E73-S85 WeakPolarHBondContact CB-OG 3.24Å; E73-S85 VanDerWaalsContact OE2-CB 3.3Å; E73-S85 WeakPolarHBondContact OE2-CB 3.37Å; E73-S85 PolarHBondContact OE2-OG 3.48Å; S85-V97 WeakPolarHBondContact CA-O 3.5Å
86L98.8Very high96.8Very high49 Ų4957.7 Ų57.726%0.25730%0.301SS..EExtended strand (participates in β ladder)trans-131.2118.8174.717563.1000108.3E70 V88 C96 V97E70-L86 HydrophobicContact CB-CB 4.43Å; E70-L86 HydrophobicContact CB-CD1 4.38Å; E70-L86 HydrophobicContact CG-CB 4.38Å; L86-V88 HydrophobicContact CD1-CG1 4.28Å; L86-V88 HydrophobicContact CD2-CG1 4.32Å; L86-V88 HydrophobicContact CG-CG1 4.04Å; L86-C96 WeakPolarHBondContact O-CA 3.49Å; L86-V97 PolarHBondContact N-O 3.31Å; L86-V97 PolarHBondContact O-N 3.32Å
87V98.8Very high97.1Very high0 Ų054.1 Ų54.10%029%0.292CS..EExtended strand (participates in β ladder)trans-101.3131.3174.5-170.20000108.7F65 V67 G68 F71 L94 V95 C96 W107F65-V87 HydrophobicContact CD1-CG2 4.27Å; F65-V87 HydrophobicContact CD2-CB 3.83Å; F65-V87 HydrophobicContact CD2-CG1 4.19Å; F65-V87 HydrophobicContact CD2-CG2 3.69Å; F65-V87 HydrophobicContact CE1-CG2 4.4Å; F65-V87 HydrophobicContact CE2-CB 3.87Å; F65-V87 HydrophobicContact CE2-CG1 3.69Å; F65-V87 HydrophobicContact CE2-CG2 3.85Å; F65-V87 HydrophobicContact CG-CG2 3.92Å; F65-V87 HydrophobicContact CZ-CG1 4.22Å; F65-V87 HydrophobicContact CZ-CG2 4.21Å; V67-V87 WeakPolarHBondContact CG1-O 3.28Å; G68-V87 PolarHBondContact N-O 3.41Å; F71-V87 HydrophobicContact CE1-CG2 4.43Å; V87-L94 HydrophobicContact CG1-CB 4.26Å; V87-L94 HydrophobicContact CG1-CD2 3.95Å; V87-V95 CarbonylContact C-O 3.53Å; V87-V95 WeakPolarHBondContact CA-O 3.48Å; V87-C96 HydrophobicContact CG2-CB 3.95Å; V87-W107 HydrophobicContact CG1-CH2 3.84Å; V87-W107 HydrophobicContact CG1-CZ3 4.43Å; V87-W107 HydrophobicContact CG2-CH2 3.92Å; V87-W107 HydrophobicContact CG2-CZ2 3.86Å
88V98.4Very high97.6Very high59 Ų5953.7 Ų53.736%0.35828%0.284SS..EExtended strand (participates in β ladder)trans-132.7155.9177.1-63.10000110.9L86 V95L86-V88 HydrophobicContact CD1-CG1 4.28Å; L86-V88 HydrophobicContact CD2-CG1 4.32Å; L86-V88 HydrophobicContact CG-CG1 4.04Å; V88-V95 HydrophobicContact CG2-CB 4.31Å; V88-V95 PolarHBondContact N-O 3.29Å; V88-V95 PolarHBondContact O-N 2.66Å
89W97.6Very high97.8Very high61 Ų6155.6 Ų55.623%0.23129%0.289CS..EExtended strand (participates in β ladder)trans-76.9132167.4-69.6115.1000110.5P2 Y5 D48 F50 V67 K93 L94P2-W89 HydrophobicContact CB-CH2 4.06Å; P2-W89 HydrophobicContact CB-CZ2 3.69Å; Y5-W89 HydrophobicContact CD2-CH2 4.01Å; Y5-W89 HydrophobicContact CD2-CZ3 4.45Å; Y5-W89 AromaticContact CE2-CH2 3.64Å; Y5-W89 HydrophobicContact CE2-CH2 3.64Å; Y5-W89 AromaticContact CE2-CZ3 3.64Å; Y5-W89 HydrophobicContact CE2-CZ3 3.64Å; D48-W89 PolarHBondContact OD1-NE1 2.9Å; F50-W89 HydrophobicContact CE2-CZ2 4.09Å; F50-W89 HydrophobicContact CZ-CH2 4.02Å; F50-W89 AromaticContact CZ-CZ2 3.86Å; F50-W89 HydrophobicContact CZ-CZ2 3.86Å; V67-W89 HydrophobicContact CG1-CG 4.09Å; W89-K93 CarbonylContact C-O 3.58Å; W89-K93 WeakPolarHBondContact CA-O 3.36Å; W89-L94 HydrophobicContact CD2-CD2 3.77Å; W89-L94 HydrophobicContact CE3-CD2 3.63Å; W89-L94 HydrophobicContact CE3-CG 4.03Å; W89-L94 HydrophobicContact CH2-CD1 4.27Å; W89-L94 HydrophobicContact CH2-CD2 3.61Å; W89-L94 HydrophobicContact CH2-CG 3.82Å; W89-L94 HydrophobicContact CZ2-CD2 3.74Å; W89-L94 HydrophobicContact CZ2-CG 4.45Å; W89-L94 HydrophobicContact CZ3-CD1 4.45Å; W89-L94 HydrophobicContact CZ3-CD2 3.55Å; W89-L94 HydrophobicContact CZ3-CG 3.59Å
90D96.8Very high97.8Very high100 Ų10057.1 Ų57.154%0.53531%0.309SS..EExtended strand (participates in β ladder)trans-12290.2165.7179.619.6000107.8D92 K93 V95D90-D92 PolarHBondContact O-N 3.35Å; D90-K93 PolarHBondContact N-O 3.42Å; D90-K93 WeakPolarHBondContact O-CB 3.29Å; D90-K93 PolarHBondContact O-N 3.4Å; D90-V95 HydrophobicContact CB-CG2 3.69Å
91G94.8Very high97.9Very high68 Ų6859 Ų5970%0.70132%0.315SS*.THydrogen-bonded Turntrans63.3-115.5-166.800000111.4
92D94.3Very high97.8Very high89 Ų8958.4 Ų58.448%0.47631%0.313SS..THydrogen-bonded Turntrans-95.42.8176.263.8-12.5000113.5A3 Y5 D90A3-D92 HydrophobicContact CB-CB 4.3Å; Y5-D92 PolarHBondContact OH-O 3.01Å; D90-D92 PolarHBondContact O-N 3.35Å
93K97.5Very high97.8Very high80 Ų8058.2 Ų58.235%0.34832%0.315SS..EExtended strand (participates in β ladder)trans-100.6146.2-177.2-47.8-170.81781750111.2W89 D90 H109 W110W89-K93 CarbonylContact C-O 3.58Å; W89-K93 WeakPolarHBondContact CA-O 3.36Å; D90-K93 PolarHBondContact N-O 3.42Å; D90-K93 WeakPolarHBondContact O-CB 3.29Å; D90-K93 PolarHBondContact O-N 3.4Å; K93-H109 WeakPolarHBondContact CA-O 3.18Å; K93-W110 HydrophobicContact CB-CB 4.22Å; K93-W110 HydrophobicContact CD-CB 4.01Å; K93-W110 HydrophobicContact CD-CG 4.41Å; K93-W110 HydrophobicContact CG-CB 3.71Å
94L98.3Very high97.8Very high4 Ų463.1 Ų63.12%0.02134%0.341CS..EExtended strand (participates in β ladder)trans-92.7126.3165.7-70.5170000109.1Y5 F50 V67 V87 W89 W107 K108 H109Y5-L94 HydrophobicContact CD1-CD1 4.38Å; Y5-L94 HydrophobicContact CD2-CD1 4.17Å; Y5-L94 HydrophobicContact CE1-CD1 4.21Å; Y5-L94 HydrophobicContact CE2-CD1 4.01Å; Y5-L94 HydrophobicContact CE2-CG 4.16Å; Y5-L94 HydrophobicContact CG-CD1 4.35Å; Y5-L94 PolarHBondContact OH-N 2.91Å; F50-L94 HydrophobicContact CD1-CD1 4.36Å; F50-L94 HydrophobicContact CE1-CD1 3.65Å; F50-L94 HydrophobicContact CZ-CD1 3.76Å; F50-L94 HydrophobicContact CZ-CD2 4.33Å; V67-L94 HydrophobicContact CG2-CD2 3.89Å; V87-L94 HydrophobicContact CG1-CB 4.26Å; V87-L94 HydrophobicContact CG1-CD2 3.95Å; W89-L94 HydrophobicContact CD2-CD2 3.77Å; W89-L94 HydrophobicContact CE3-CD2 3.63Å; W89-L94 HydrophobicContact CE3-CG 4.03Å; W89-L94 HydrophobicContact CH2-CD1 4.27Å; W89-L94 HydrophobicContact CH2-CD2 3.61Å; W89-L94 HydrophobicContact CH2-CG 3.82Å; W89-L94 HydrophobicContact CZ2-CD2 3.74Å; W89-L94 HydrophobicContact CZ2-CG 4.45Å; W89-L94 HydrophobicContact CZ3-CD1 4.45Å; W89-L94 HydrophobicContact CZ3-CD2 3.55Å; W89-L94 HydrophobicContact CZ3-CG 3.59Å; L94-W107 HydrophobicContact CB-CZ3 4.01Å; L94-K108 CarbonylContact O-C 3.55Å; L94-K108 VanDerWaalsContact O-CA 3.27Å; L94-K108 WeakPolarHBondContact O-CA 3.5Å; L94-H109 HydrophobicContact CB-CB 4.15Å; L94-H109 PolarHBondContact N-O 3.04Å; L94-H109 PolarHBondContact O-N 2.89Å
95V98.6Very high97.8Very high25 Ų2558.7 Ų58.715%0.15232%0.321CS..EExtended strand (participates in β ladder)trans-120124.8176.8-1790000108.7V87 V88 D90 K108V87-V95 CarbonylContact C-O 3.53Å; V87-V95 WeakPolarHBondContact CA-O 3.48Å; V88-V95 HydrophobicContact CG2-CB 4.31Å; V88-V95 PolarHBondContact N-O 3.29Å; V88-V95 PolarHBondContact O-N 2.66Å; D90-V95 HydrophobicContact CB-CG2 3.69Å; V95-K108 HydrophobicContact CG1-CG 4.19Å; V95-K108 HydrophobicContact CG2-CD 4.38Å; V95-K108 HydrophobicContact CG2-CG 4.1Å
96C98.8Very high97.8Very high3 Ų358.8 Ų58.82%0.0232%0.323CS..EExtended strand (participates in β ladder)trans-114.1131.9176.1-176.30000111L86 V87 G106 W107L86-C96 WeakPolarHBondContact O-CA 3.49Å; V87-C96 HydrophobicContact CG2-CB 3.95Å; C96-G106 CarbonylContact O-C 3.55Å; C96-G106 WeakPolarHBondContact O-CA 3.25Å; C96-W107 HydrophobicContact CB-CD2 3.36Å; C96-W107 HydrophobicContact CB-CE3 3.8Å; C96-W107 HydrophobicContact CB-CG 3.88Å; C96-W107 HydrophobicContact CB-CH2 3.76Å; C96-W107 HydrophobicContact CB-CZ2 3.32Å; C96-W107 HydrophobicContact CB-CZ3 3.97Å; C96-W107 PolarHBondContact N-O 2.89Å; C96-W107 PolarHBondContact O-N 3.45Å; C96-W107 PolarHBondContact SG-NE1 3.05Å
97V98.8Very high97.8Very high73 Ų7358.1 Ų58.144%0.44232%0.316SS..EExtended strand (participates in β ladder)trans-108.2128167.6179.40000108.3S85 L86 K99S85-V97 WeakPolarHBondContact CA-O 3.5Å; L86-V97 PolarHBondContact N-O 3.31Å; L86-V97 PolarHBondContact O-N 3.32Å; V97-K99 HydrophobicContact CG1-CG 4.09Å
98Q98.8Very high97.8Very high13 Ų1362.3 Ų62.36%0.06134%0.335CS..EExtended strand (participates in β ladder)trans-110.493.6178.6-62.1-175.6-53.900109.4E73 V83 R105E73-Q98 VanDerWaalsContact CD-NE2 3.26Å; E73-Q98 PolarHBondContact OE1-NE2 3.17Å; E73-Q98 VanDerWaalsContact OE1-NE2 3.17Å; E73-Q98 PolarHBondContact OE2-NE2 3.35Å; V83-Q98 HydrophobicContact CB-CB 4.39Å; V83-Q98 HydrophobicContact CG2-CB 4.06Å; V83-Q98 HydrophobicContact CG2-CG 4.42Å; Q98-R105 HydrophobicContact CB-CB 4.31Å; Q98-R105 HydrophobicContact CB-CG 3.91Å; Q98-R105 PolarHBondContact N-O 3.02Å
99K98.6Very high97.8Very high114 Ų11460.2 Ų60.250%0.49632%0.321SS..EExtended strand (participates in β ladder)trans-77.6126.2-179.8-61.4174-168151.90110.5E70 V83 K84 V97E70-K99 IonicContact OE2-NZ 3.86Å; E70-K99 PolarHBondContact OE2-NZ 2.83Å; V83-K99 WeakPolarHBondContact CA-O 3.15Å; V83-K99 WeakPolarHBondContact CB-O 3.29Å; K84-K99 HydrophobicContact CB-CB 4.41Å; K84-K99 PolarHBondContact N-O 2.96Å; K84-K99 PolarHBondContact O-N 3.03Å; V97-K99 HydrophobicContact CG1-CG 4.09Å
100G97.5Very high97.8Very high51 Ų5158.9 Ų58.953%0.52632%0.316SS..SBendtrans-178.6-148.2178.100000111.7K102G100-K102 VanDerWaalsContact C-N 3.32Å; G100-K102 PolarHBondContact O-N 2.6Å
101E97Very high97.9Very high135 Ų13556 Ų5663%0.63130%0.3SS*.SBendtrans-63.2-33.5-178.3-172.9-165136.800113.8R81R81-E101 IonicContact CZ-OE1 2.96Å; R81-E101 IonicContact CZ-OE2 3.61Å; R81-E101 IonicContact NE-OE1 2.84Å; R81-E101 IonicContact NE-OE2 2.81Å; R81-E101 PolarHBondContact NE-OE2 3.05Å; R81-E101 IonicContact NH2-OE1 3.98Å; R81-E101 PolarHBondContact NH2-OE1 2.64Å; R81-E101 IonicContact NH2-OE2 2.66Å
102K97.6Very high98Very high26 Ų2658.1 Ų58.111%0.11329%0.292CS..SBendtrans-95.7123.4-176.7-65.2-70.8177.7168.40110.4A23 L24 D25 G100 R105A23-K102 WeakPolarHBondContact O-CE 3.04Å; A23-K102 PolarHBondContact O-NZ 3.28Å; L24-K102 HydrophobicContact CD2-CB 4.4Å; L24-K102 HydrophobicContact CD2-CG 4.08Å; D25-K102 IonicContact OD1-NZ 3.4Å; D25-K102 PolarHBondContact OD1-NZ 2.94Å; D25-K102 WeakPolarHBondContact OD2-CE 3.35Å; D25-K102 IonicContact OD2-NZ 2.84Å; D25-K102 PolarHBondContact OD2-NZ 3.31Å; G100-K102 VanDerWaalsContact C-N 3.32Å; G100-K102 PolarHBondContact O-N 2.6Å; K102-R105 HydrophobicContact CB-CB 4.35Å; K102-R105 WeakPolarHBondContact O-CB 3.32Å
103E97.6Very high98.1Very high157 Ų15757.5 Ų57.573%0.73431%0.306SS*.THydrogen-bonded Turntrans-67.9154.7174.9-61.3-174.4161.300111.6R105 L123E103-R105 PolarHBondContact O-N 3.42Å; E103-R105 VanDerWaalsContact O-N 3.09Å; E103-L123 HydrophobicContact CB-CD2 4.12Å; E103-L123 PolarHBondContact O-N 2.9Å
104N97.9Very high98.1Very high109 Ų10957.4 Ų57.458%0.58331%0.31SS*.THydrogen-bonded Turntrans47.839.1179-166.238.6000113.4T121 A122 L123N104-T121 CarbonylContact O-C 3.5Å; N104-T121 VanDerWaalsContact O-C 3.3Å; N104-T121 PolarHBondContact O-OG1 3.14Å; N104-A122 WeakPolarHBondContact O-CA 3.29Å; N104-A122 PolarHBondContact O-N 2.84Å; N104-L123 WeakPolarHBondContact CB-O 3.44Å; N104-L123 PolarHBondContact ND2-O 3.13Å
105R98.7Very high98.1Very high16 Ų1659.7 Ų59.76%0.0632%0.322CS..  trans-92.4126.8178.1-172-168.8175.4144.511.5109.8D79 Q98 K102 E103 T121D79-R105 IonicContact OD1-CZ 3.03Å; D79-R105 IonicContact OD1-NH1 3.69Å; D79-R105 IonicContact OD1-NH2 2.75Å; D79-R105 PolarHBondContact OD1-NH2 3.03Å; D79-R105 IonicContact OD2-CZ 2.73Å; D79-R105 IonicContact OD2-NH1 3.48Å; D79-R105 PolarHBondContact OD2-NH1 3.34Å; D79-R105 IonicContact OD2-NH2 3.74Å; D79-R105 PolarHBondContact OD2-NH2 2.98Å; Q98-R105 HydrophobicContact CB-CB 4.31Å; Q98-R105 HydrophobicContact CB-CG 3.91Å; Q98-R105 PolarHBondContact N-O 3.02Å; K102-R105 HydrophobicContact CB-CB 4.35Å; K102-R105 WeakPolarHBondContact O-CB 3.32Å; E103-R105 PolarHBondContact O-N 3.42Å; E103-R105 VanDerWaalsContact O-N 3.09Å; R105-T121 WeakPolarHBondContact CA-O 3.49Å
106G98.6Very high98.1Very high3 Ų358.5 Ų58.53%0.03132%0.315CS..EExtended strand (participates in β ladder)trans174.9-176179.900000112.2C96 T121C96-G106 CarbonylContact O-C 3.55Å; C96-G106 WeakPolarHBondContact O-CA 3.25Å; G106-T121 PolarHBondContact N-O 3.33Å; G106-T121 VanDerWaalsContact N-O 3.12Å; G106-T121 PolarHBondContact N-OG1 3.05Å; G106-T121 PolarHBondContact O-N 3.41Å; G106-T121 PolarHBondContact O-OG1 3.27Å; G106-T121 VanDerWaalsContact O-OG1 3.06Å
107W98.8Very high98.1Very high34 Ų3459.2 Ų59.213%0.12932%0.318CS..EExtended strand (participates in β ladder)trans-149.7160.2176.152.6-99.9000112.2F65 V87 L94 C96 H109 L118 E119F65-W107 HydrophobicContact CE1-CH2 4.32Å; F65-W107 HydrophobicContact CE1-CZ2 4.4Å; F65-W107 HydrophobicContact CZ-CH2 4.08Å; V87-W107 HydrophobicContact CG1-CH2 3.84Å; V87-W107 HydrophobicContact CG1-CZ3 4.43Å; V87-W107 HydrophobicContact CG2-CH2 3.92Å; V87-W107 HydrophobicContact CG2-CZ2 3.86Å; L94-W107 HydrophobicContact CB-CZ3 4.01Å; C96-W107 HydrophobicContact CB-CD2 3.36Å; C96-W107 HydrophobicContact CB-CE3 3.8Å; C96-W107 HydrophobicContact CB-CG 3.88Å; C96-W107 HydrophobicContact CB-CH2 3.76Å; C96-W107 HydrophobicContact CB-CZ2 3.32Å; C96-W107 HydrophobicContact CB-CZ3 3.97Å; C96-W107 PolarHBondContact N-O 2.89Å; C96-W107 PolarHBondContact O-N 3.45Å; C96-W107 PolarHBondContact SG-NE1 3.05Å; W107-H109 HydrophobicContact CE3-CB 4.35Å; W107-H109 AromaticContact CE3-CD2 3.83Å; W107-H109 HydrophobicContact CZ3-CB 4.13Å; W107-H109 AromaticContact CZ3-CD2 3.82Å; W107-L118 HydrophobicContact CB-CD1 3.82Å; W107-L118 HydrophobicContact CG-CD1 4.43Å; W107-E119 CarbonylContact C-O 3.51Å; W107-E119 WeakPolarHBondContact CA-O 3.5Å; W107-E119 VanDerWaalsContact CB-O 3.24Å; W107-E119 WeakPolarHBondContact CB-O 3.37Å
108K98.7Very high98.1Very high88 Ų8856 Ų5638%0.38330%0.298SS..EExtended strand (participates in β ladder)trans-130136.4173.5-58-178.5-176.9165.70110.3L94 V95 W110 L118 E119L94-K108 CarbonylContact O-C 3.55Å; L94-K108 VanDerWaalsContact O-CA 3.27Å; L94-K108 WeakPolarHBondContact O-CA 3.5Å; V95-K108 HydrophobicContact CG1-CG 4.19Å; V95-K108 HydrophobicContact CG2-CD 4.38Å; V95-K108 HydrophobicContact CG2-CG 4.1Å; K108-W110 HydrophobicContact CB-CZ3 4.45Å; K108-L118 CarbonylContact O-C 3.51Å; K108-L118 WeakPolarHBondContact O-CA 3.49Å; K108-E119 HydrophobicContact CB-CB 4.37Å; K108-E119 PolarHBondContact N-O 2.82Å; K108-E119 PolarHBondContact O-N 3Å
109H98.4Very high98.1Very high16 Ų1658 Ų587%0.07431%0.307CS..EExtended strand (participates in β ladder)trans-123.2133177.8-102.4-54.8000110.1Y5 K93 L94 W107 L116 H117 L118Y5-H109 HydrophobicContact CE1-CB 4Å; Y5-H109 PolarHBondContact OH-O 2.81Å; K93-H109 WeakPolarHBondContact CA-O 3.18Å; L94-H109 HydrophobicContact CB-CB 4.15Å; L94-H109 PolarHBondContact N-O 3.04Å; L94-H109 PolarHBondContact O-N 2.89Å; W107-H109 HydrophobicContact CE3-CB 4.35Å; W107-H109 AromaticContact CE3-CD2 3.83Å; W107-H109 HydrophobicContact CZ3-CB 4.13Å; W107-H109 AromaticContact CZ3-CD2 3.82Å; H109-L116 WeakPolarHBondContact ND1-CD1 3.38Å; H109-H117 WeakPolarHBondContact CA-O 3.39Å; H109-H117 PolarHBondContact ND1-O 3.03Å; H109-L118 VanDerWaalsContact CE1-CB 3.47Å; H109-L118 WeakPolarHBondContact CE1-CB 3.43Å
110W98.4Very high98.1Very high32 Ų3254.1 Ų54.112%0.12129%0.292CS..EExtended strand (participates in β ladder)trans-149.7161.8175.371.6100.8000110.8Y5 K93 K108 E112 H117 E119 H128Y5-W110 WeakPolarHBondContact OH-CA 3.39Å; K93-W110 HydrophobicContact CB-CB 4.22Å; K93-W110 HydrophobicContact CD-CB 4.01Å; K93-W110 HydrophobicContact CD-CG 4.41Å; K93-W110 HydrophobicContact CG-CB 3.71Å; K108-W110 HydrophobicContact CB-CZ3 4.45Å; W110-E112 PolarHBondContact NE1-OE1 2.79Å; W110-H117 HydrophobicContact CD2-CB 3.42Å; W110-H117 VanDerWaalsContact CD2-CB 3.42Å; W110-H117 AromaticContact CE2-CG 3.57Å; W110-H117 AromaticContact CE2-ND1 3.86Å; W110-H117 HydrophobicContact CE3-CB 3.74Å; W110-H117 HydrophobicContact CG-CB 4.05Å; W110-H117 HydrophobicContact CH2-CB 3.69Å; W110-H117 HydrophobicContact CZ2-CB 3.36Å; W110-H117 AromaticContact CZ2-CG 3.71Å; W110-H117 AromaticContact CZ2-ND1 3.61Å; W110-H117 HydrophobicContact CZ3-CB 3.86Å; W110-H117 PolarHBondContact N-O 3.38Å; W110-H117 AromaticContact NE1-CG 3.62Å; W110-H117 AromaticContact NE1-ND1 3.93Å; W110-H117 PolarHBondContact O-N 3.29Å; W110-E119 HydrophobicContact CH2-CB 4.31Å; W110-E119 HydrophobicContact CZ3-CB 3.93Å; W110-H128 AromaticContact CH2-CD2 3.93Å; W110-H128 AromaticContact CH2-NE2 3.58Å; W110-H128 AromaticContact CZ2-NE2 3.78Å
111I98.2Very high98.1Very high40 Ų4052.7 Ų52.721%0.20527%0.273CS..EExtended strand (participates in β ladder)trans-117.5132.4-177.5-66.4172.5000109.6D4 Y5 W9 G113 L115 L116D4-I111 WeakPolarHBondContact O-CD1 2.98Å; Y5-I111 HydrophobicContact CD1-CD1 3.68Å; Y5-I111 HydrophobicContact CD1-CG1 4.02Å; Y5-I111 HydrophobicContact CD2-CD1 4.2Å; Y5-I111 HydrophobicContact CE1-CD1 3.97Å; Y5-I111 HydrophobicContact CE1-CG1 3.88Å; Y5-I111 HydrophobicContact CE2-CD1 4.43Å; Y5-I111 HydrophobicContact CG-CD1 3.82Å; W9-I111 HydrophobicContact CH2-CD1 3.97Å; W9-I111 HydrophobicContact CH2-CG1 4.29Å; W9-I111 HydrophobicContact CZ2-CD1 4.05Å; I111-G113 WeakPolarHBondContact CG2-O 3.28Å; I111-L115 VanDerWaalsContact CA-O 3.31Å; I111-L115 WeakPolarHBondContact CA-O 3.47Å; I111-L116 HydrophobicContact CG1-CD1 3.97Å
112E97.4Very high98.2Very high112 Ų11246.3 Ų46.352%0.52324%0.243SC..EExtended strand (participates in β ladder)trans-127.1102171.5-69.8176.8-16000108.2W110 D114 L115 H117W110-E112 PolarHBondContact NE1-OE1 2.79Å; E112-D114 PolarHBondContact O-N 3.3Å; E112-L115 PolarHBondContact N-O 3.37Å; E112-L115 WeakPolarHBondContact O-CB 3.38Å; E112-L115 PolarHBondContact O-N 2.87Å; E112-H117 IonicContact OE2-CE1 3.77Å; E112-H117 IonicContact OE2-NE2 3.03Å
113G95.8Very high98.2Very high76 Ų7648 Ų4878%0.78425%0.253SS*.THydrogen-bonded Turntrans63.6-119.9-17500000112.3I111 L115I111-G113 WeakPolarHBondContact CG2-O 3.28Å; G113-L115 VanDerWaalsContact C-N 3.35Å
114D96.7Very high98.2Very high78 Ų7846.2 Ų46.242%0.41725%0.248SC..THydrogen-bonded Turntrans-94.611.8176.669.4-25.8000113.3E112 K132 K133E112-D114 PolarHBondContact O-N 3.3Å; D114-K132 WeakPolarHBondContact OD2-CE 3.45Å; D114-K132 IonicContact OD2-NZ 3.93Å; D114-K133 PolarHBondContact O-N 3.12Å
115L98.3Very high98.2Very high53 Ų5344 Ų4428%0.27723%0.233SC..EExtended strand (participates in β ladder)trans-108.2126.8-178.8-56.3179.7000111.5I111 E112 G113 V130 F131 K132I111-L115 VanDerWaalsContact CA-O 3.31Å; I111-L115 WeakPolarHBondContact CA-O 3.47Å; E112-L115 PolarHBondContact N-O 3.37Å; E112-L115 WeakPolarHBondContact O-CB 3.38Å; E112-L115 PolarHBondContact O-N 2.87Å; G113-L115 VanDerWaalsContact C-N 3.35Å; L115-V130 HydrophobicContact CB-CG1 3.97Å; L115-V130 HydrophobicContact CD1-CG1 4.16Å; L115-V130 HydrophobicContact CD2-CG1 4.15Å; L115-V130 HydrophobicContact CG-CG1 4.32Å; L115-F131 CarbonylContact C-O 3.53Å; L115-F131 WeakPolarHBondContact CA-O 3.44Å; L115-K132 HydrophobicContact CD2-CB 4.2Å; L115-K132 HydrophobicContact CD2-CG 4.33Å
116L98.7Very high98.2Very high0 Ų046.3 Ų46.30%025%0.249CC..EExtended strand (participates in β ladder)trans-94.6118.2166.1173.168.8000108.6Y5 W9 K41 I43 H109 I111 V130 F131Y5-L116 HydrophobicContact CD1-CD1 3.61Å; Y5-L116 HydrophobicContact CE1-CD1 3.69Å; W9-L116 HydrophobicContact CB-CD2 4.03Å; W9-L116 HydrophobicContact CD2-CB 3.62Å; W9-L116 HydrophobicContact CD2-CD2 3.88Å; W9-L116 HydrophobicContact CD2-CG 4.37Å; W9-L116 HydrophobicContact CE3-CB 3.35Å; W9-L116 HydrophobicContact CE3-CD2 4.48Å; W9-L116 HydrophobicContact CG-CB 4.17Å; W9-L116 HydrophobicContact CG-CD2 3.65Å; W9-L116 HydrophobicContact CH2-CB 4.23Å; W9-L116 HydrophobicContact CZ2-CB 4.47Å; W9-L116 HydrophobicContact CZ3-CB 3.67Å; K41-L116 HydrophobicContact CD-CD2 4.1Å; I43-L116 HydrophobicContact CD1-CD2 3.84Å; H109-L116 WeakPolarHBondContact ND1-CD1 3.38Å; I111-L116 HydrophobicContact CG1-CD1 3.97Å; L116-V130 WeakPolarHBondContact O-CA 3.24Å; L116-F131 HydrophobicContact CB-CB 4.27Å; L116-F131 PolarHBondContact N-O 2.66Å; L116-F131 PolarHBondContact O-N 3.01Å
117H98.8Very high98.2Very high17 Ų1746.1 Ų46.18%0.07925%0.248CC..EExtended strand (participates in β ladder)trans-96.4144.9176.2-68-117.2000110.1H109 W110 E112 H128H109-H117 WeakPolarHBondContact CA-O 3.39Å; H109-H117 PolarHBondContact ND1-O 3.03Å; W110-H117 HydrophobicContact CD2-CB 3.42Å; W110-H117 VanDerWaalsContact CD2-CB 3.42Å; W110-H117 AromaticContact CE2-CG 3.57Å; W110-H117 AromaticContact CE2-ND1 3.86Å; W110-H117 HydrophobicContact CE3-CB 3.74Å; W110-H117 HydrophobicContact CG-CB 4.05Å; W110-H117 HydrophobicContact CH2-CB 3.69Å; W110-H117 HydrophobicContact CZ2-CB 3.36Å; W110-H117 AromaticContact CZ2-CG 3.71Å; W110-H117 AromaticContact CZ2-ND1 3.61Å; W110-H117 HydrophobicContact CZ3-CB 3.86Å; W110-H117 PolarHBondContact N-O 3.38Å; W110-H117 AromaticContact NE1-CG 3.62Å; W110-H117 AromaticContact NE1-ND1 3.93Å; W110-H117 PolarHBondContact O-N 3.29Å; E112-H117 IonicContact OE2-CE1 3.77Å; E112-H117 IonicContact OE2-NE2 3.03Å; H117-H128 AromaticContact ND1-CE1 3.62Å; H117-H128 AromaticContact ND1-NE2 3.42Å; H117-H128 PolarHBondContact ND1-NE2 3.37Å
118L98.8Very high98.2Very high6 Ų646.5 Ų46.53%0.03125%0.251CS..EExtended strand (participates in β ladder)trans-136.4121.9175.2171.455.1000109.5K41 W107 K108 H109 I120 H128 Q129 F131K41-L118 VanDerWaalsContact CE-CD2 3.41Å; W107-L118 HydrophobicContact CB-CD1 3.82Å; W107-L118 HydrophobicContact CG-CD1 4.43Å; K108-L118 CarbonylContact O-C 3.51Å; K108-L118 WeakPolarHBondContact O-CA 3.49Å; H109-L118 VanDerWaalsContact CE1-CB 3.47Å; H109-L118 WeakPolarHBondContact CE1-CB 3.43Å; L118-I120 HydrophobicContact CD1-CG1 3.98Å; L118-I120 HydrophobicContact CD2-CD1 4.12Å; L118-I120 HydrophobicContact CD2-CG1 4.12Å; L118-I120 HydrophobicContact CG-CD1 4.36Å; L118-I120 HydrophobicContact CG-CG1 3.87Å; L118-H128 PolarHBondContact O-CD2 2.76Å; L118-Q129 HydrophobicContact CB-CB 4.13Å; L118-Q129 PolarHBondContact N-O 3.28Å; L118-Q129 PolarHBondContact O-N 3.48Å; L118-F131 HydrophobicContact CB-CE2 4.11Å; L118-F131 HydrophobicContact CD2-CE2 4.3Å
119E98.8Very high98.2Very high54 Ų5442.3 Ų42.325%0.25223%0.233SC..EExtended strand (participates in β ladder)trans-105126.8166.8-173.4178.299.100108.8W107 K108 W110 T121 V126 C127W107-E119 CarbonylContact C-O 3.51Å; W107-E119 WeakPolarHBondContact CA-O 3.5Å; W107-E119 VanDerWaalsContact CB-O 3.24Å; W107-E119 WeakPolarHBondContact CB-O 3.37Å; K108-E119 HydrophobicContact CB-CB 4.37Å; K108-E119 PolarHBondContact N-O 2.82Å; K108-E119 PolarHBondContact O-N 3Å; W110-E119 HydrophobicContact CH2-CB 4.31Å; W110-E119 HydrophobicContact CZ3-CB 3.93Å; E119-T121 HydrophobicContact CG-CG2 4.33Å; E119-V126 HydrophobicContact CG-CG1 3.43Å; E119-V126 VanDerWaalsContact CG-CG1 3.43Å; E119-C127 CarbonylContact C-O 3.53Å; E119-C127 WeakPolarHBondContact CA-O 3.49Å
120I98.7Very high98.2Very high33 Ų3342 Ų4217%0.16923%0.232CC..EExtended strand (participates in β ladder)trans-112.4132.4174.3-52.7166.7000108V20 L118 V126 C127V20-I120 HydrophobicContact CG1-CG2 3.88Å; L118-I120 HydrophobicContact CD1-CG1 3.98Å; L118-I120 HydrophobicContact CD2-CD1 4.12Å; L118-I120 HydrophobicContact CD2-CG1 4.12Å; L118-I120 HydrophobicContact CG-CD1 4.36Å; L118-I120 HydrophobicContact CG-CG1 3.87Å; I120-V126 CarbonylContact O-C 3.59Å; I120-V126 WeakPolarHBondContact O-CA 3.42Å; I120-C127 HydrophobicContact CB-CB 4.27Å; I120-C127 PolarHBondContact N-O 3.24Å; I120-C127 PolarHBondContact O-N 3.47Å
121T98.7Very high98.3Very high22 Ų2240.5 Ų40.514%0.13523%0.226CC..EExtended strand (participates in β ladder)trans-121.8140.5-17956.40000110.5N104 R105 G106 E119 K125 V126N104-T121 CarbonylContact O-C 3.5Å; N104-T121 VanDerWaalsContact O-C 3.3Å; N104-T121 PolarHBondContact O-OG1 3.14Å; R105-T121 WeakPolarHBondContact CA-O 3.49Å; G106-T121 PolarHBondContact N-O 3.33Å; G106-T121 VanDerWaalsContact N-O 3.12Å; G106-T121 PolarHBondContact N-OG1 3.05Å; G106-T121 PolarHBondContact O-N 3.41Å; G106-T121 PolarHBondContact O-OG1 3.27Å; G106-T121 VanDerWaalsContact O-OG1 3.06Å; E119-T121 HydrophobicContact CG-CG2 4.33Å; T121-K125 WeakPolarHBondContact CA-O 3.42Å; T121-V126 HydrophobicContact CG2-CG1 4.35Å; T121-V126 HydrophobicContact CG2-CG2 4.21Å
122A98.5Very high98.3Very high0 Ų043.7 Ų43.70%024%0.239CC..EExtended strand (participates in β ladder)trans-156.5127.3168.500000108.7V20 A23 L24 N104 D124 K125V20-A122 HydrophobicContact CG1-CB 4.38Å; A23-A122 HydrophobicContact CB-CB 4.32Å; L24-A122 HydrophobicContact CD2-CB 3.8Å; L24-A122 HydrophobicContact CG-CB 4.08Å; N104-A122 WeakPolarHBondContact O-CA 3.29Å; N104-A122 PolarHBondContact O-N 2.84Å; A122-D124 PolarHBondContact O-N 3.36Å; A122-K125 PolarHBondContact N-O 3.33Å; A122-K125 VanDerWaalsContact N-O 3.09Å; A122-K125 PolarHBondContact O-N 3.21Å
123L97.8Very high98.3Very high63 Ų6342.3 Ų42.333%0.3323%0.231SC..THydrogen-bonded Turntrans53.9-124.8-172.7-52.6177000111A23 E103 N104A23-L123 HydrophobicContact CB-CD1 4.11Å; A23-L123 HydrophobicContact CB-CG 4.48Å; E103-L123 HydrophobicContact CB-CD2 4.12Å; E103-L123 PolarHBondContact O-N 2.9Å; N104-L123 WeakPolarHBondContact CB-O 3.44Å; N104-L123 PolarHBondContact ND2-O 3.13Å
124D97.8Very high98.2Very high118 Ų11843.7 Ų43.763%0.63122%0.215SC*.THydrogen-bonded Turntrans-92.95.5176.671.3-38.9000113.2A122A122-D124 PolarHBondContact O-N 3.36Å
125K98.6Very high97.2Very high62 Ų6252.3 Ų52.327%0.2725%0.253SS..EExtended strand (participates in β ladder)trans-102142.1-174.8-54.7-50.1178.8-154.10112D19 V20 A23 T121 A122D19-K125 HydrophobicContact CB-CD 4.31Å; D19-K125 HydrophobicContact CB-CG 4.33Å; V20-K125 HydrophobicContact CG2-CB 3.89Å; A23-K125 HydrophobicContact CB-CB 4.37Å; A23-K125 HydrophobicContact CB-CG 3.99Å; T121-K125 WeakPolarHBondContact CA-O 3.42Å; A122-K125 PolarHBondContact N-O 3.33Å; A122-K125 VanDerWaalsContact N-O 3.09Å; A122-K125 PolarHBondContact O-N 3.21Å
126V98.6Very high97.2Very high65 Ų6552.3 Ų52.339%0.39425%0.252SS..EExtended strand (participates in β ladder)trans-131.1129.4178.2-172.50000108.9N16 E119 I120 T121N16-V126 WeakPolarHBondContact CB-O 3.19Å; N16-V126 PolarHBondContact ND2-O 2.85Å; E119-V126 HydrophobicContact CG-CG1 3.43Å; E119-V126 VanDerWaalsContact CG-CG1 3.43Å; I120-V126 CarbonylContact O-C 3.59Å; I120-V126 WeakPolarHBondContact O-CA 3.42Å; T121-V126 HydrophobicContact CG2-CG1 4.35Å; T121-V126 HydrophobicContact CG2-CG2 4.21Å
127C98.6Very high97.1Very high0 Ų055 Ų550%027%0.265CS..EExtended strand (participates in β ladder)trans-111.6137.6172.1166.80000108.6E15 V20 E119 I120E15-C127 VanDerWaalsContact O-CA 3.28Å; E15-C127 WeakPolarHBondContact O-CA 3.41Å; E15-C127 PolarHBondContact O-SG 2.78Å; V20-C127 HydrophobicContact CB-CB 4.08Å; V20-C127 HydrophobicContact CG2-CB 3.5Å; V20-C127 VanDerWaalsContact CG2-CB 3.5Å; E119-C127 CarbonylContact C-O 3.53Å; E119-C127 WeakPolarHBondContact CA-O 3.49Å; I120-C127 HydrophobicContact CB-CB 4.27Å; I120-C127 PolarHBondContact N-O 3.24Å; I120-C127 PolarHBondContact O-N 3.47Å
128H98.7Very high97Very high41 Ų4157.1 Ų57.119%0.1928%0.275CS..EExtended strand (participates in β ladder)trans-118.2122.3176-172.1-134.1000110.9E15 W110 H117 L118E15-H128 PolarHBondContact N-O 2.97Å; E15-H128 PolarHBondContact O-N 3.46Å; W110-H128 AromaticContact CH2-CD2 3.93Å; W110-H128 AromaticContact CH2-NE2 3.58Å; W110-H128 AromaticContact CZ2-NE2 3.78Å; H117-H128 AromaticContact ND1-CE1 3.62Å; H117-H128 AromaticContact ND1-NE2 3.42Å; H117-H128 PolarHBondContact ND1-NE2 3.37Å; L118-H128 PolarHBondContact O-CD2 2.76Å
129Q98.7Very high96.9Very high1 Ų160.1 Ų60.11%0.00529%0.29CS..EExtended strand (participates in β ladder)trans-118.3144.6176.2-63.1-178.8-18.400110.1M11 K13 N14 L118 F131M11-Q129 HydrophobicContact CE-CB 4.33Å; M11-Q129 VanDerWaalsContact CE-CD 3.43Å; M11-Q129 HydrophobicContact CE-CG 3.98Å; K13-Q129 VanDerWaalsContact O-CA 3.29Å; K13-Q129 WeakPolarHBondContact O-CA 3.38Å; N14-Q129 HydrophobicContact CB-CG 4.45Å; N14-Q129 VanDerWaalsContact OD1-CG 3.24Å; N14-Q129 WeakPolarHBondContact OD1-CG 3.34Å; N14-Q129 PolarHBondContact OD1-NE2 2.8Å; L118-Q129 HydrophobicContact CB-CB 4.13Å; L118-Q129 PolarHBondContact N-O 3.28Å; L118-Q129 PolarHBondContact O-N 3.48Å; Q129-F131 HydrophobicContact CB-CD2 4.45Å; Q129-F131 HydrophobicContact CB-CE2 3.58Å; Q129-F131 HydrophobicContact CB-CZ 4.05Å
130V98.8Very high96.8Very high10 Ų1060.5 Ų60.56%0.06129%0.292CS..EExtended strand (participates in β ladder)trans-130.3136.3174.2-172.70000108.2V12 K13 L115 L116V12-V130 HydrophobicContact CG2-CB 4.03Å; V12-V130 HydrophobicContact CG2-CG1 3.89Å; V12-V130 WeakPolarHBondContact CG2-O 3.26Å; V12-V130 PolarHBondContact N-O 3.04Å; K13-V130 HydrophobicContact CB-CB 3.8Å; K13-V130 HydrophobicContact CB-CG2 4.04Å; K13-V130 HydrophobicContact CD-CG2 3.9Å; K13-V130 PolarHBondContact N-O 3.27Å; K13-V130 VanDerWaalsContact N-O 3.11Å; K13-V130 PolarHBondContact O-N 3.1Å; L115-V130 HydrophobicContact CB-CG1 3.97Å; L115-V130 HydrophobicContact CD1-CG1 4.16Å; L115-V130 HydrophobicContact CD2-CG1 4.15Å; L115-V130 HydrophobicContact CG-CG1 4.32Å; L116-V130 WeakPolarHBondContact O-CA 3.24Å
131F98.8Very high96.7Very high0 Ų062.3 Ų62.30%030%0.3CS..EExtended strand (participates in β ladder)trans-125.9138.1-179.9-54.7-105.4000109.3W9 E10 M11 Q39 K41 L115 L116 L118 Q129W9-F131 HydrophobicContact CB-CB 3.66Å; W9-F131 HydrophobicContact CB-CG 4.37Å; E10-F131 CarbonylContact O-C 3.57Å; E10-F131 WeakPolarHBondContact O-CA 3.44Å; M11-F131 VanDerWaalsContact CA-CD1 3.5Å; M11-F131 HydrophobicContact CB-CD1 3.74Å; M11-F131 HydrophobicContact CB-CE1 3.69Å; M11-F131 HydrophobicContact CE-CE1 3.83Å; M11-F131 HydrophobicContact CE-CZ 3.62Å; M11-F131 HydrophobicContact CG-CE1 4.28Å; Q39-F131 HydrophobicContact CB-CE1 4.07Å; K41-F131 HydrophobicContact CD-CD1 4.41Å; K41-F131 HydrophobicContact CD-CD2 4.32Å; K41-F131 HydrophobicContact CD-CE1 4.06Å; K41-F131 HydrophobicContact CD-CE2 3.97Å; K41-F131 HydrophobicContact CD-CZ 3.86Å; K41-F131 HydrophobicContact CG-CD1 4.33Å; K41-F131 HydrophobicContact CG-CE1 3.96Å; K41-F131 HydrophobicContact CG-CZ 4.21Å; L115-F131 CarbonylContact C-O 3.53Å; L115-F131 WeakPolarHBondContact CA-O 3.44Å; L116-F131 HydrophobicContact CB-CB 4.27Å; L116-F131 PolarHBondContact N-O 2.66Å; L116-F131 PolarHBondContact O-N 3.01Å; L118-F131 HydrophobicContact CB-CE2 4.11Å; L118-F131 HydrophobicContact CD2-CE2 4.3Å; Q129-F131 HydrophobicContact CB-CD2 4.45Å; Q129-F131 HydrophobicContact CB-CE2 3.58Å; Q129-F131 HydrophobicContact CB-CZ 4.05Å
132K98.4Very high96.5Very high107 Ų10765.2 Ų65.247%0.46531%0.312SS..EExtended strand (participates in β ladder)trans-93.5137.2174.5-172.2173.8-174.7178.10110.2W9 E10 V12 D114 L115 K134W9-K132 CarbonylContact C-O 3.42Å; W9-K132 WeakPolarHBondContact CA-O 2.91Å; E10-K132 PolarHBondContact N-O 3.29Å; E10-K132 PolarHBondContact O-N 3.19Å; V12-K132 HydrophobicContact CG1-CB 3.75Å; D114-K132 WeakPolarHBondContact OD2-CE 3.45Å; D114-K132 IonicContact OD2-NZ 3.93Å; L115-K132 HydrophobicContact CD2-CB 4.2Å; L115-K132 HydrophobicContact CD2-CG 4.33Å; K132-K134 PolarHBondContact O-N 3.34Å
133K98Very high96.4Very high83 Ų8370.2 Ų70.236%0.36134%0.336SS..EExtended strand (participates in β ladder)trans-62.6130.2174-157.4168.3-169.8164.30109.3N6 W9 D114N6-K133 VanDerWaalsContact O-CE 3.23Å; N6-K133 WeakPolarHBondContact O-CE 3.21Å; N6-K133 PolarHBondContact O-NZ 2.9Å; W9-K133 HydrophobicContact CD2-CB 4.43Å; W9-K133 HydrophobicContact CD2-CG 4.36Å; W9-K133 HydrophobicContact CE3-CB 3.7Å; W9-K133 HydrophobicContact CE3-CG 4.08Å; W9-K133 HydrophobicContact CH2-CB 4.12Å; W9-K133 HydrophobicContact CH2-CD 3.8Å; W9-K133 HydrophobicContact CH2-CG 4.06Å; W9-K133 HydrophobicContact CZ2-CD 4.11Å; W9-K133 HydrophobicContact CZ2-CG 4.32Å; W9-K133 HydrophobicContact CZ3-CB 3.53Å; W9-K133 HydrophobicContact CZ3-CD 4.13Å; W9-K133 HydrophobicContact CZ3-CG 3.94Å; D114-K133 PolarHBondContact O-N 3.12Å
134K94.1Very high96.2Very high105 Ų10570.8 Ų70.846%0.45734%0.336SS..PPolyproline II helixtrans-79.8129.3170.4-163.1-178.2-165.8139.70108.4R8 E10 K132R8-K134 HydrophobicContact CB-CB 4.25Å; R8-K134 HydrophobicContact CG-CB 4.35Å; R8-K134 HydrophobicContact CG-CD 4.42Å; R8-K134 WeakPolarHBondContact O-CB 3.48Å; R8-K134 PolarHBondContact O-N 2.62Å; E10-K134 WeakPolarHBondContact OE1-CD 3.44Å; E10-K134 WeakPolarHBondContact OE1-CE 3.4Å; E10-K134 IonicContact OE1-NZ 3.81Å; E10-K134 PolarHBondContact OE1-NZ 2.77Å; K132-K134 PolarHBondContact O-N 3.34Å
135E75.9Confident96.1Very high258 Ų25866.5 Ų66.5100%1.20631%0.31SS*.  trans-59.20170.1-64.4-177.1166.800112

Retrieved 135 of 135 residues in 39.5 ms (Link to these results)

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