A0A093ICN9_STRCA Loading...

Myelin P2 protein

May play a role in lipid transport protein in Schwann cells. May bind cholesterol.

AlphaFold DB , UniProt , Accession A0A093ICN9, Species STRCA (Struthio camelus australis), Gene n/a, Length 132 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
1M80.1Confident94.9Very high161 Ų16159.9 Ų59.979%0.79330%0.3SS*.  0145.20-66.6-179.3-157.600109.4N3M1-N3 VanDerWaalsContact C-N 3.29Å; M1-N3 WeakPolarHBondContact CB-OD1 2.76Å; M1-N3 PolarHBondContact O-N 3.06Å
2C87.7Confident95.1Very high8 Ų860.8 Ų60.85%0.05431%0.311CS..G310 helixtrans-66.3-29-178.7-175.50000113.1R4 F5 M45 L67 L92C2-R4 PolarHBondContact O-N 2.84Å; C2-F5 WeakPolarHBondContact O-CD2 3.47Å; C2-F5 PolarHBondContact O-N 2.85Å; C2-M45 HydrophobicContact CB-CE 4.26Å; C2-M45 HydrophobicContact CB-SD 4.1Å; C2-L67 HydrophobicContact CB-CD1 3.98Å; C2-L92 HydrophobicContact CB-CD2 4.45Å
3N93.3Very high95.3Very high88 Ų8859.3 Ų59.347%0.47131%0.309SS..G310 helixtrans-55.5-23.6179.166.5-13.9000114.4M1 F5 V6 M45M1-N3 VanDerWaalsContact C-N 3.29Å; M1-N3 WeakPolarHBondContact CB-OD1 2.76Å; M1-N3 PolarHBondContact O-N 3.06Å; N3-F5 PolarHBondContact O-N 3.36Å; N3-V6 VanDerWaalsContact O-CB 3.32Å; N3-V6 WeakPolarHBondContact O-CB 3.4Å; N3-V6 PolarHBondContact O-N 3.48Å; N3-M45 HydrophobicContact CB-SD 4.2Å
4R95.2Very high95.5Very high153 Ų15358.4 Ų58.458%0.57731%0.31SS*.G310 helixtrans-59.7-27176-65.8179.162.3-176.3-3.1112.7C2 L109 R131C2-R4 PolarHBondContact O-N 2.84Å; R4-L109 HydrophobicContact CB-CD1 3.76Å; R4-L109 WeakPolarHBondContact O-CD1 3.17Å; R4-R131 PolarHBondContact O-NH2 3.04Å
5F97.5Very high95.7Very high3 Ų362.4 Ų62.41%0.01333%0.327CS..G310 helixtrans-82.5-13.9178.5-66.7-87.3000113.3C2 N3 G7 W9 I43 L87 L92 R107 L109 M114C2-F5 WeakPolarHBondContact O-CD2 3.47Å; C2-F5 PolarHBondContact O-N 2.85Å; N3-F5 PolarHBondContact O-N 3.36Å; F5-G7 PolarHBondContact O-N 2.89Å; F5-W9 PolarHBondContact O-NE1 2.87Å; F5-I43 HydrophobicContact CB-CD1 3.99Å; F5-I43 HydrophobicContact CB-CG2 4.38Å; F5-I43 WeakPolarHBondContact O-CB 3.43Å; F5-L87 HydrophobicContact CE2-CD1 4.5Å; F5-L92 HydrophobicContact CB-CD1 4.1Å; F5-L92 HydrophobicContact CD1-CD1 4.21Å; F5-L92 HydrophobicContact CD2-CD1 3.63Å; F5-L92 HydrophobicContact CD2-CG 3.89Å; F5-L92 HydrophobicContact CE2-CD1 4.07Å; F5-L92 HydrophobicContact CE2-CG 3.83Å; F5-L92 HydrophobicContact CG-CD1 3.71Å; F5-L92 HydrophobicContact CG-CG 4.39Å; F5-L92 HydrophobicContact CZ-CG 4.27Å; F5-R107 HydrophobicContact CD1-CB 4.46Å; F5-R107 HydrophobicContact CE1-CB 4Å; F5-R107 WeakPolarHBondContact CE1-O 3.48Å; F5-R107 WeakPolarHBondContact CZ-O 3.29Å; F5-L109 HydrophobicContact CD1-CD2 3.88Å; F5-L109 HydrophobicContact CD1-CG 4.04Å; F5-L109 HydrophobicContact CE1-CD1 4.5Å; F5-L109 HydrophobicContact CE1-CD2 3.84Å; F5-L109 HydrophobicContact CE1-CG 3.7Å; F5-L109 HydrophobicContact CZ-CG 4.06Å; F5-M114 HydrophobicContact CD1-SD 4.2Å
6V98.1Very high95.8Very high52 Ų5263.3 Ų63.332%0.31533%0.331SS..  trans-61.6132.9-179.7173.20000110.3N3 I43 M45 R131N3-V6 VanDerWaalsContact O-CB 3.32Å; N3-V6 WeakPolarHBondContact O-CB 3.4Å; N3-V6 PolarHBondContact O-N 3.48Å; V6-I43 WeakPolarHBondContact CA-O 3.46Å; V6-M45 HydrophobicContact CG2-CB 4.21Å; V6-M45 HydrophobicContact CG2-CG 3.67Å; V6-M45 HydrophobicContact CG2-SD 3.89Å; V6-R131 PolarHBondContact O-NH1 3.22Å
7G98.1Very high95.9Very high22 Ų2261.8 Ų61.823%0.22732%0.322CS..EExtended strand (participates in β ladder)trans139.2-178.5-17600000112.2F5 I43F5-G7 PolarHBondContact O-N 2.89Å; G7-I43 PolarHBondContact N-O 3.14Å; G7-I43 PolarHBondContact O-N 2.81Å
8T98.6Very high96Very high47 Ų4762.2 Ų62.229%0.28833%0.325SS..EExtended strand (participates in β ladder)trans-102.3136.2175-60.80000109.3I42 R131 V132T8-I42 HydrophobicContact CG2-CG1 4.13Å; T8-R131 WeakPolarHBondContact O-CA 3.37Å; T8-V132 HydrophobicContact CG2-CB 4.17Å; T8-V132 HydrophobicContact CG2-CG2 3.84Å; T8-V132 PolarHBondContact O-N 3.23Å
9W98.8Very high96.1Very high1 Ų162.9 Ų62.90%0.00433%0.329CS..EExtended strand (participates in β ladder)trans-130.4124.4-174.3-6092.9000110.5F5 D40 V41 L109 M114 Y129 E130 R131F5-W9 PolarHBondContact O-NE1 2.87Å; W9-D40 CarbonylContact O-C 3.45Å; W9-D40 WeakPolarHBondContact O-CA 3.29Å; W9-V41 HydrophobicContact CB-CB 4.29Å; W9-V41 WeakPolarHBondContact CB-O 3.42Å; W9-V41 PolarHBondContact N-O 3.3Å; W9-V41 PolarHBondContact O-N 3.26Å; W9-L109 HydrophobicContact CH2-CD2 3.43Å; W9-L109 VanDerWaalsContact CH2-CD2 3.43Å; W9-L109 HydrophobicContact CZ2-CD2 3.71Å; W9-L109 HydrophobicContact CZ3-CD2 4.28Å; W9-M114 HydrophobicContact CB-CE 3.68Å; W9-M114 HydrophobicContact CD2-CB 3.83Å; W9-M114 HydrophobicContact CD2-CE 4.1Å; W9-M114 HydrophobicContact CD2-SD 4.33Å; W9-M114 HydrophobicContact CE3-CB 3.56Å; W9-M114 HydrophobicContact CG-CE 3.62Å; W9-M114 HydrophobicContact CG-SD 4.3Å; W9-M114 HydrophobicContact CH2-CB 4.05Å; W9-M114 HydrophobicContact CZ2-CB 4.26Å; W9-M114 HydrophobicContact CZ3-CB 3.7Å; W9-Y129 HydrophobicContact CB-CD1 4.27Å; W9-Y129 HydrophobicContact CB-CG 4.39Å; W9-E130 CarbonylContact C-O 3.55Å; W9-E130 VanDerWaalsContact CA-O 3.27Å; W9-E130 WeakPolarHBondContact CA-O 3.35Å; W9-R131 HydrophobicContact CE3-CB 3.95Å; W9-R131 HydrophobicContact CH2-CB 4.3Å; W9-R131 HydrophobicContact CZ3-CB 3.78Å
10K98.2Very high96.3Very high100 Ų10060.2 Ų60.244%0.43531%0.314SS..EExtended strand (participates in β ladder)trans-100133.7178.9-74.4-173.9171.1-178.40111.4V12 D40 Y129 E130 V132K10-V12 PolarHBondContact O-N 3.18Å; K10-D40 WeakPolarHBondContact CE-OD2 3.28Å; K10-D40 WeakPolarHBondContact CG-OD1 3.34Å; K10-Y129 CarbonylContact O-C 3.56Å; K10-Y129 WeakPolarHBondContact O-CA 3.39Å; K10-Y129 WeakPolarHBondContact O-CB 3.27Å; K10-E130 PolarHBondContact N-O 3.04Å; K10-E130 PolarHBondContact O-N 3.01Å; K10-V132 HydrophobicContact CB-CG2 4.33Å; K10-V132 HydrophobicContact CD-CG2 3.59Å; K10-V132 HydrophobicContact CG-CG2 3.45Å; K10-V132 VanDerWaalsContact CG-CG2 3.45Å
11L98.2Very high96.3Very high24 Ų2457.9 Ų57.913%0.12630%0.302CS..EExtended strand (participates in β ladder)trans-64.8128.3175.3-174.882.7000110.8S13 K38 P39 R127 Y129L11-S13 WeakPolarHBondContact CD1-O 3.33Å; L11-K38 HydrophobicContact CD2-CG 4.44Å; L11-P39 PolarHBondContact N-O 2.83Å; L11-R127 HydrophobicContact CD1-CB 3.87Å; L11-R127 HydrophobicContact CD1-CG 4.34Å; L11-Y129 HydrophobicContact CB-CD1 4.01Å; L11-Y129 HydrophobicContact CB-CE1 3.75Å; L11-Y129 HydrophobicContact CD1-CD1 4.32Å; L11-Y129 HydrophobicContact CD1-CD2 4.18Å; L11-Y129 HydrophobicContact CD1-CE1 3.82Å; L11-Y129 HydrophobicContact CD1-CE2 3.67Å; L11-Y129 HydrophobicContact CD1-CG 4.46Å; L11-Y129 VanDerWaalsContact CD1-CZ 3.45Å; L11-Y129 HydrophobicContact CG-CE1 4.44Å; L11-Y129 VanDerWaalsContact N-CD1 3.34Å
12V97.6Very high97.2Very high71 Ų7156.1 Ų56.143%0.4329%0.29SS..EExtended strand (participates in β ladder)trans-119-25.8175.5-62.70000113.9K10 I128 E130K10-V12 PolarHBondContact O-N 3.18Å; V12-I128 HydrophobicContact CG2-CB 4.14Å; V12-I128 HydrophobicContact CG2-CG2 3.88Å; V12-I128 WeakPolarHBondContact CG2-O 3.23Å; V12-I128 PolarHBondContact N-O 2.84Å; V12-E130 HydrophobicContact CB-CG 4.48Å; V12-E130 HydrophobicContact CG1-CB 3.99Å; V12-E130 HydrophobicContact CG1-CG 3.83Å; V12-E130 HydrophobicContact CG2-CG 3.88Å
13S97.6Very high97.7Very high41 Ų4158.8 Ų58.829%0.28730%0.301SS..EExtended strand (participates in β ladder)trans-146.1149175.7-1770000111.3L11 R127 I128L11-S13 WeakPolarHBondContact CD1-O 3.33Å; S13-R127 CarbonylContact O-C 3.6Å; S13-R127 WeakPolarHBondContact O-CA 3.37Å; S13-I128 PolarHBondContact N-O 2.63Å; S13-I128 PolarHBondContact O-N 3.12Å
14S97.8Very high97.9Very high46 Ų4655.2 Ų55.232%0.32228%0.282SS..EExtended strand (participates in β ladder)trans-149.2121.1176.7176.50000110.3F17 R127S14-F17 WeakPolarHBondContact OG-CB 2.92Å; S14-R127 PolarHBondContact OG-NH1 3.07Å
15E98.3Very high97.9Very high119 Ų11950.9 Ų50.956%0.55629%0.285SS*.EExtended strand (participates in β ladder)trans-118.2136.8-179.8-66.1174.2-169.700109.8F17 C125 T126E15-F17 PolarHBondContact O-N 3.41Å; E15-F17 VanDerWaalsContact O-N 3.15Å; E15-C125 WeakPolarHBondContact O-CA 3.33Å; E15-C125 PolarHBondContact O-SG 2.9Å; E15-T126 PolarHBondContact N-O 3.35Å; E15-T126 PolarHBondContact O-N 3.12Å; E15-T126 VanDerWaalsContact O-N 3.15Å
16N98Very high97.9Very high76 Ų7651.6 Ų51.641%0.40629%0.29SS..SBendtrans60.321.6173.8-151.437.8000116.6D19 Y20 V124N16-D19 WeakPolarHBondContact OD1-CB 3.41Å; N16-D19 PolarHBondContact OD1-OD2 2.9Å; N16-Y20 PolarHBondContact O-N 3.37Å; N16-V124 WeakPolarHBondContact CB-O 3.05Å; N16-V124 PolarHBondContact ND2-O 3.05Å
17F97.6Very high97.8Very high39 Ų3951.4 Ų51.417%0.17130%0.298CS..Hα-helixtrans-71.7-32.3-176.6-169.4-127.8000113.5S14 E15 Y20 M21 C125S14-F17 WeakPolarHBondContact OG-CB 2.92Å; E15-F17 PolarHBondContact O-N 3.41Å; E15-F17 VanDerWaalsContact O-N 3.15Å; F17-Y20 HydrophobicContact CD2-CD1 4.02Å; F17-Y20 AromaticContact CE2-CD1 3.95Å; F17-Y20 HydrophobicContact CE2-CD1 3.95Å; F17-Y20 HydrophobicContact CE2-CE1 4.4Å; F17-Y20 PolarHBondContact O-N 3.03Å; F17-M21 HydrophobicContact CD1-CE 3.45Å; F17-M21 VanDerWaalsContact CD1-CE 3.45Å; F17-M21 HydrophobicContact CD1-CG 4.39Å; F17-M21 HydrophobicContact CD1-SD 3.93Å; F17-M21 HydrophobicContact CD2-CG 4.37Å; F17-M21 HydrophobicContact CE1-CE 3.67Å; F17-M21 HydrophobicContact CE1-CG 4.11Å; F17-M21 HydrophobicContact CE1-SD 3.5Å; F17-M21 VanDerWaalsContact CE1-SD 3.5Å; F17-M21 HydrophobicContact CE2-CG 4.09Å; F17-M21 HydrophobicContact CG-CE 4.09Å; F17-M21 HydrophobicContact CZ-CE 4.45Å; F17-M21 HydrophobicContact CZ-CG 3.95Å; F17-M21 HydrophobicContact CZ-SD 3.84Å; F17-M21 WeakPolarHBondContact O-CB 3.06Å; F17-M21 WeakPolarHBondContact O-CE 3.32Å; F17-M21 WeakPolarHBondContact O-CG 3.31Å; F17-M21 PolarHBondContact O-N 2.76Å; F17-C125 VanDerWaalsContact CA-SG 3.58Å; F17-C125 HydrophobicContact CD2-CB 4.48Å; F17-C125 VanDerWaalsContact CD2-SG 3.57Å
18D97.7Very high97.7Very high69 Ų6955.1 Ų55.137%0.36931%0.312SS..Hα-helixtrans-62-46.3175.2-176.170000111.3Y20 M21 K22 R31D18-Y20 PolarHBondContact O-N 3.45Å; D18-M21 PolarHBondContact O-N 2.7Å; D18-K22 WeakPolarHBondContact O-CB 3.48Å; D18-K22 PolarHBondContact O-N 2.88Å; D18-R31 WeakPolarHBondContact O-CD 3.31Å; D18-R31 WeakPolarHBondContact OD1-CB 3.45Å; D18-R31 WeakPolarHBondContact OD1-CD 3.37Å; D18-R31 IonicContact OD1-NE 2.76Å; D18-R31 PolarHBondContact OD1-NE 3.24Å; D18-R31 IonicContact OD2-NE 3.81Å
19D98.3Very high97.4Very high75 Ų7556.4 Ų56.440%0.40133%0.328SS..Hα-helixtrans-65.5-39.7178.8-75.8-27000112N16 K22 E23 V123N16-D19 WeakPolarHBondContact OD1-CB 3.41Å; N16-D19 PolarHBondContact OD1-OD2 2.9Å; D19-K22 WeakPolarHBondContact O-CB 3.16Å; D19-K22 PolarHBondContact O-N 2.85Å; D19-E23 PolarHBondContact O-N 3.05Å; D19-V123 HydrophobicContact CB-CG1 4.03Å
20Y98.6Very high97.2Very high9 Ų958.1 Ų58.14%0.03534%0.342CS..Hα-helixtrans-61.1-46.9173.1173-104.4000112N16 F17 D18 K22 E23 L24 T103 C118 M120 C125N16-Y20 PolarHBondContact O-N 3.37Å; F17-Y20 HydrophobicContact CD2-CD1 4.02Å; F17-Y20 AromaticContact CE2-CD1 3.95Å; F17-Y20 HydrophobicContact CE2-CD1 3.95Å; F17-Y20 HydrophobicContact CE2-CE1 4.4Å; F17-Y20 PolarHBondContact O-N 3.03Å; D18-Y20 PolarHBondContact O-N 3.45Å; Y20-K22 VanDerWaalsContact C-N 3.29Å; Y20-K22 PolarHBondContact O-N 2.88Å; Y20-E23 PolarHBondContact O-N 3.31Å; Y20-L24 HydrophobicContact CD1-CD1 3.95Å; Y20-L24 HydrophobicContact CE1-CD1 3.34Å; Y20-L24 HydrophobicContact CE1-CG 4.2Å; Y20-L24 HydrophobicContact CE2-CD1 4.32Å; Y20-L24 HydrophobicContact CE2-CG 4.34Å; Y20-L24 WeakPolarHBondContact O-CG 3.33Å; Y20-L24 PolarHBondContact O-N 2.68Å; Y20-T103 WeakPolarHBondContact CE2-OG1 3.46Å; Y20-T103 PolarHBondContact OH-OG1 2.94Å; Y20-C118 HydrophobicContact CD1-CB 3.98Å; Y20-C118 HydrophobicContact CD2-CB 3.99Å; Y20-C118 HydrophobicContact CE1-CB 3.68Å; Y20-C118 HydrophobicContact CE2-CB 3.71Å; Y20-C118 HydrophobicContact CG-CB 4.12Å; Y20-M120 HydrophobicContact CD2-CB 4.4Å; Y20-M120 HydrophobicContact CE2-CB 4Å; Y20-C125 HydrophobicContact CG-CB 4.13Å
21M97.8Very high97.1Very high12 Ų1255 Ų556%0.05933%0.328CS..Hα-helixtrans-63.2-36.2175.8-73.6-172.8-69.400112F17 D18 L24 G25 V26 R31F17-M21 HydrophobicContact CD1-CE 3.45Å; F17-M21 VanDerWaalsContact CD1-CE 3.45Å; F17-M21 HydrophobicContact CD1-CG 4.39Å; F17-M21 HydrophobicContact CD1-SD 3.93Å; F17-M21 HydrophobicContact CD2-CG 4.37Å; F17-M21 HydrophobicContact CE1-CE 3.67Å; F17-M21 HydrophobicContact CE1-CG 4.11Å; F17-M21 HydrophobicContact CE1-SD 3.5Å; F17-M21 VanDerWaalsContact CE1-SD 3.5Å; F17-M21 HydrophobicContact CE2-CG 4.09Å; F17-M21 HydrophobicContact CG-CE 4.09Å; F17-M21 HydrophobicContact CZ-CE 4.45Å; F17-M21 HydrophobicContact CZ-CG 3.95Å; F17-M21 HydrophobicContact CZ-SD 3.84Å; F17-M21 WeakPolarHBondContact O-CB 3.06Å; F17-M21 WeakPolarHBondContact O-CE 3.32Å; F17-M21 WeakPolarHBondContact O-CG 3.31Å; F17-M21 PolarHBondContact O-N 2.76Å; D18-M21 PolarHBondContact O-N 2.7Å; M21-L24 WeakPolarHBondContact O-CB 3.41Å; M21-L24 PolarHBondContact O-N 2.7Å; M21-G25 PolarHBondContact O-N 2.86Å; M21-V26 HydrophobicContact CB-CB 4.05Å; M21-V26 HydrophobicContact CB-CG2 4.14Å; M21-V26 WeakPolarHBondContact O-CB 3.3Å; M21-V26 VanDerWaalsContact O-CG2 3.31Å; M21-V26 WeakPolarHBondContact O-CG2 3.29Å; M21-V26 PolarHBondContact O-N 2.98Å; M21-R31 HydrophobicContact CB-CB 4.48Å; M21-R31 HydrophobicContact CB-CG 3.73Å; M21-R31 HydrophobicContact CE-CB 3.84Å; M21-R31 HydrophobicContact CE-CG 4.3Å; M21-R31 VanDerWaalsContact CE-O 3.3Å; M21-R31 WeakPolarHBondContact CE-O 3.39Å; M21-R31 HydrophobicContact SD-CB 4.4Å; M21-R31 HydrophobicContact SD-CG 4.4Å
22K98Very high96.9Very high124 Ų12460.3 Ų60.354%0.53935%0.35SS..Hα-helixtrans-63.6-43.9175.5-177.3-177174.3-172.10111.3D18 D19 Y20 L24 G25D18-K22 WeakPolarHBondContact O-CB 3.48Å; D18-K22 PolarHBondContact O-N 2.88Å; D19-K22 WeakPolarHBondContact O-CB 3.16Å; D19-K22 PolarHBondContact O-N 2.85Å; Y20-K22 VanDerWaalsContact C-N 3.29Å; Y20-K22 PolarHBondContact O-N 2.88Å; K22-L24 VanDerWaalsContact C-N 3.3Å; K22-L24 PolarHBondContact O-N 3.29Å; K22-G25 WeakPolarHBondContact O-CA 3.42Å; K22-G25 PolarHBondContact O-N 2.8Å
23E98.1Very high96.7Very high63 Ų6361.2 Ų61.229%0.29435%0.352SS..Hα-helixtrans-66.3-32177.5-171.355.1-13600112.6D19 Y20 G25 M120 K121 V123D19-E23 PolarHBondContact O-N 3.05Å; Y20-E23 PolarHBondContact O-N 3.31Å; E23-G25 PolarHBondContact O-N 2.82Å; E23-M120 HydrophobicContact CG-CB 4.31Å; E23-M120 HydrophobicContact CG-CG 3.97Å; E23-M120 HydrophobicContact CG-SD 4.22Å; E23-K121 HydrophobicContact CG-CB 4.38Å; E23-K121 HydrophobicContact CG-CD 4.24Å; E23-K121 WeakPolarHBondContact OE1-CD 3.36Å; E23-K121 IonicContact OE1-NZ 3.88Å; E23-K121 PolarHBondContact OE1-NZ 3.44Å; E23-V123 HydrophobicContact CB-CB 4.41Å; E23-V123 HydrophobicContact CB-CG2 4.16Å; E23-V123 HydrophobicContact CG-CG2 4.22Å
24L97.4Very high96.4Very high14 Ų1459.7 Ų59.77%0.07334%0.343CS..Hα-helixtrans-64.5-19.4169.8-72.5171.7000113.2Y20 M21 K22 V26 W98 T103 M120Y20-L24 HydrophobicContact CD1-CD1 3.95Å; Y20-L24 HydrophobicContact CE1-CD1 3.34Å; Y20-L24 HydrophobicContact CE1-CG 4.2Å; Y20-L24 HydrophobicContact CE2-CD1 4.32Å; Y20-L24 HydrophobicContact CE2-CG 4.34Å; Y20-L24 WeakPolarHBondContact O-CG 3.33Å; Y20-L24 PolarHBondContact O-N 2.68Å; M21-L24 WeakPolarHBondContact O-CB 3.41Å; M21-L24 PolarHBondContact O-N 2.7Å; K22-L24 VanDerWaalsContact C-N 3.3Å; K22-L24 PolarHBondContact O-N 3.29Å; L24-V26 HydrophobicContact CB-CG2 4.1Å; L24-W98 HydrophobicContact CD2-CH2 3.65Å; L24-W98 HydrophobicContact CD2-CZ2 3.98Å; L24-T103 HydrophobicContact CD2-CG2 4.16Å; L24-M120 HydrophobicContact CD2-SD 3.44Å; L24-M120 WeakPolarHBondContact CD2-SD 3.45Å; L24-M120 HydrophobicContact CG-SD 4.06Å
25G96.1Very high96.2Very high62 Ų6259.8 Ų59.864%0.63935%0.351SS*.THydrogen-bonded Turntrans93.214.7-175.600000114M21 K22 E23 G27M21-G25 PolarHBondContact O-N 2.86Å; K22-G25 WeakPolarHBondContact O-CA 3.42Å; K22-G25 PolarHBondContact O-N 2.8Å; E23-G25 PolarHBondContact O-N 2.82Å; G25-G27 PolarHBondContact O-N 2.85Å
26V96.8Very high95.9Very high18 Ų1860.9 Ų60.911%0.10936%0.36CS..  trans-68.9130.9178.7-177.10000109.9M21 L24 A30 R31 D77M21-V26 HydrophobicContact CB-CB 4.05Å; M21-V26 HydrophobicContact CB-CG2 4.14Å; M21-V26 WeakPolarHBondContact O-CB 3.3Å; M21-V26 VanDerWaalsContact O-CG2 3.31Å; M21-V26 WeakPolarHBondContact O-CG2 3.29Å; M21-V26 PolarHBondContact O-N 2.98Å; L24-V26 HydrophobicContact CB-CG2 4.1Å; V26-A30 HydrophobicContact CG1-CB 3.64Å; V26-R31 HydrophobicContact CB-CG 3.88Å; V26-R31 HydrophobicContact CG1-CG 3.7Å; V26-R31 WeakPolarHBondContact O-CD 3.48Å; V26-R31 WeakPolarHBondContact O-CG 3.38Å; V26-R31 PolarHBondContact O-NH1 2.91Å; V26-D77 HydrophobicContact CG2-CB 3.8Å
27G96.4Very high95.6Very high48 Ų4857.8 Ų57.850%0.49535%0.345SS..  trans-66149.8179.800000113.6G25 A29 A30 R31G25-G27 PolarHBondContact O-N 2.85Å; G27-A29 VanDerWaalsContact C-N 3.29Å; G27-A29 PolarHBondContact O-N 2.82Å; G27-A29 VanDerWaalsContact O-N 3.12Å; G27-A30 PolarHBondContact O-N 2.85Å; G27-A30 VanDerWaalsContact O-N 3.07Å; G27-R31 WeakPolarHBondContact O-CG 3.3Å; G27-R31 PolarHBondContact O-N 3.02Å
28L95.1Very high95.5Very high99 Ų9963.6 Ų63.652%0.51837%0.37SS..Hα-helixtrans-51.3-41.4-171.8179.264.6000114.2R31 K32L28-R31 PolarHBondContact O-N 2.99Å; L28-K32 PolarHBondContact O-N 2.82Å
29A93.9Very high95.4Very high74 Ų7460.8 Ų60.861%0.61236%0.356SS*.Hα-helixtrans-63-47.6179.800000112.1G27 R31 K32 L33G27-A29 VanDerWaalsContact C-N 3.29Å; G27-A29 PolarHBondContact O-N 2.82Å; G27-A29 VanDerWaalsContact O-N 3.12Å; A29-R31 VanDerWaalsContact C-N 3.3Å; A29-R31 PolarHBondContact O-N 3Å; A29-K32 PolarHBondContact O-N 2.82Å; A29-L33 PolarHBondContact O-N 2.94Å
30A93.8Very high95.3Very high38 Ų3859.5 Ų59.531%0.31435%0.348SS..Hα-helixtrans-64.8-35.4177.200000111.7V26 G27 L33 G34V26-A30 HydrophobicContact CG1-CB 3.64Å; G27-A30 PolarHBondContact O-N 2.85Å; G27-A30 VanDerWaalsContact O-N 3.07Å; A30-L33 PolarHBondContact O-N 3.06Å; A30-G34 PolarHBondContact O-N 2.87Å
31R96.1Very high95.3Very high33 Ų3359.3 Ų59.313%0.12535%0.348CS..Hα-helixtrans-65.1-42.2175.7-58.7-160.4-54.1-100.45.9113.1D18 M21 V26 G27 L28 A29 L33 G34 G35D18-R31 WeakPolarHBondContact O-CD 3.31Å; D18-R31 WeakPolarHBondContact OD1-CB 3.45Å; D18-R31 WeakPolarHBondContact OD1-CD 3.37Å; D18-R31 IonicContact OD1-NE 2.76Å; D18-R31 PolarHBondContact OD1-NE 3.24Å; D18-R31 IonicContact OD2-NE 3.81Å; M21-R31 HydrophobicContact CB-CB 4.48Å; M21-R31 HydrophobicContact CB-CG 3.73Å; M21-R31 HydrophobicContact CE-CB 3.84Å; M21-R31 HydrophobicContact CE-CG 4.3Å; M21-R31 VanDerWaalsContact CE-O 3.3Å; M21-R31 WeakPolarHBondContact CE-O 3.39Å; M21-R31 HydrophobicContact SD-CB 4.4Å; M21-R31 HydrophobicContact SD-CG 4.4Å; V26-R31 HydrophobicContact CB-CG 3.88Å; V26-R31 HydrophobicContact CG1-CG 3.7Å; V26-R31 WeakPolarHBondContact O-CD 3.48Å; V26-R31 WeakPolarHBondContact O-CG 3.38Å; V26-R31 PolarHBondContact O-NH1 2.91Å; G27-R31 WeakPolarHBondContact O-CG 3.3Å; G27-R31 PolarHBondContact O-N 3.02Å; L28-R31 PolarHBondContact O-N 2.99Å; A29-R31 VanDerWaalsContact C-N 3.3Å; A29-R31 PolarHBondContact O-N 3Å; R31-L33 VanDerWaalsContact C-N 3.34Å; R31-L33 PolarHBondContact O-N 2.5Å; R31-G34 PolarHBondContact O-N 2.92Å; R31-G35 PolarHBondContact O-N 3.03Å
32K94.1Very high95.4Very high137 Ų13760.8 Ų60.860%0.59636%0.356SS*.Hα-helixtrans-59-45.6175.1-74.8-173175.9-171.60111.5L28 A29 G35 L36L28-K32 PolarHBondContact O-N 2.82Å; A29-K32 PolarHBondContact O-N 2.82Å; K32-G35 PolarHBondContact O-N 2.9Å; K32-L36 WeakPolarHBondContact O-CG 3.3Å; K32-L36 PolarHBondContact O-N 2.87Å
33L92.9Very high95.4Very high89 Ų8955 Ų5547%0.46633%0.331SS..Hα-helixtrans-67.2-43.4177.7-65.6174.5000112A29 A30 R31 G35 L36 A37 F58A29-L33 PolarHBondContact O-N 2.94Å; A30-L33 PolarHBondContact O-N 3.06Å; R31-L33 VanDerWaalsContact C-N 3.34Å; R31-L33 PolarHBondContact O-N 2.5Å; L33-G35 VanDerWaalsContact C-N 3.32Å; L33-G35 PolarHBondContact O-N 2.89Å; L33-L36 PolarHBondContact O-N 2.98Å; L33-A37 PolarHBondContact O-N 2.69Å; L33-F58 HydrophobicContact CB-CD2 3.88Å; L33-F58 HydrophobicContact CB-CE1 4.46Å; L33-F58 HydrophobicContact CB-CE2 3.79Å; L33-F58 HydrophobicContact CB-CG 4.28Å; L33-F58 HydrophobicContact CB-CZ 4.09Å; L33-F58 HydrophobicContact CD1-CD2 3.95Å; L33-F58 HydrophobicContact CD1-CE2 3.44Å; L33-F58 VanDerWaalsContact CD1-CE2 3.44Å; L33-F58 HydrophobicContact CD1-CZ 4.19Å; L33-F58 HydrophobicContact CG-CD2 4.49Å; L33-F58 HydrophobicContact CG-CE2 4.25Å
34G92.1Very high95.4Very high10 Ų1054.6 Ų54.610%0.10334%0.335CS..Hα-helixtrans-63.6-34.1176.900000113.7A30 R31A30-G34 PolarHBondContact O-N 2.87Å; R31-G34 PolarHBondContact O-N 2.92Å
35G92.6Very high95.4Very high47 Ų4757.2 Ų57.249%0.48535%0.348SS..Hα-helixtrans-70.3-32.7175.300000113.6R31 K32 L33R31-G35 PolarHBondContact O-N 3.03Å; K32-G35 PolarHBondContact O-N 2.9Å; L33-G35 VanDerWaalsContact C-N 3.32Å; L33-G35 PolarHBondContact O-N 2.89Å
36L92.6Very high95.5Very high143 Ų14362.8 Ų62.875%0.74935%0.354SS*.Hα-helixtrans-81.4-22.8176.2-66.6173000112.8K32 L33K32-L36 WeakPolarHBondContact O-CG 3.3Å; K32-L36 PolarHBondContact O-N 2.87Å; L33-L36 PolarHBondContact O-N 2.98Å
37A92.3Very high95.4Very high10 Ų1065.3 Ų65.38%0.08338%0.384CS..  trans-66.3133.4-18000000111.8L33 P39 F58L33-A37 PolarHBondContact O-N 2.69Å; A37-P39 WeakPolarHBondContact O-CD 3.34Å; A37-F58 HydrophobicContact CB-CB 4.48Å
38K94.2Very high95.4Very high161 Ų16167.4 Ų67.470%0.738%0.384SS*.  trans-111.378.4172.2-62.5-175.1-178.9-176.40109.1L11L11-K38 HydrophobicContact CD2-CG 4.44Å
39P95.8Very high95.5Very high11 Ų1165.9 Ų65.97%0.07138%0.376CS..  trans-69.6147-177.526.3-35.1000112.3L11 A37 T54 E55 Y129L11-P39 PolarHBondContact N-O 2.83Å; A37-P39 WeakPolarHBondContact O-CD 3.34Å; P39-T54 HydrophobicContact CB-CG2 3.66Å; P39-T54 HydrophobicContact CG-CG2 4.37Å; P39-E55 CarbonylContact C-O 3.58Å; P39-E55 WeakPolarHBondContact CA-O 3.35Å; P39-E55 WeakPolarHBondContact CB-O 3.49Å; P39-Y129 WeakPolarHBondContact O-CE1 3.49Å
40D97.7Very high95.7Very high47 Ų4762.3 Ų62.325%0.25135%0.346SS..EExtended strand (participates in β ladder)trans-91.1136.8163.8-70.28.4000108.4W9 K10 I42 T54 E55W9-D40 CarbonylContact O-C 3.45Å; W9-D40 WeakPolarHBondContact O-CA 3.29Å; K10-D40 WeakPolarHBondContact CE-OD2 3.28Å; K10-D40 WeakPolarHBondContact CG-OD1 3.34Å; D40-I42 HydrophobicContact CB-CD1 4.38Å; D40-T54 CarbonylContact O-C 3.59Å; D40-T54 WeakPolarHBondContact O-CA 3.45Å; D40-E55 PolarHBondContact N-O 2.84Å; D40-E55 PolarHBondContact O-N 2.78Å
41V98.4Very high96Very high6 Ų661.8 Ų61.84%0.03634%0.339CS..EExtended strand (participates in β ladder)trans-111.4116175.4176.40000108.2W9 I43 I52 R53 T54 M114 Y129W9-V41 HydrophobicContact CB-CB 4.29Å; W9-V41 WeakPolarHBondContact CB-O 3.42Å; W9-V41 PolarHBondContact N-O 3.3Å; W9-V41 PolarHBondContact O-N 3.26Å; V41-I43 HydrophobicContact CG1-CD1 4.17Å; V41-I43 HydrophobicContact CG1-CG1 3.9Å; V41-I52 HydrophobicContact CG1-CG2 3.98Å; V41-R53 CarbonylContact C-O 3.57Å; V41-R53 WeakPolarHBondContact CA-O 3.3Å; V41-T54 HydrophobicContact CG2-CG2 4.27Å; V41-M114 HydrophobicContact CB-CE 4.12Å; V41-M114 HydrophobicContact CG1-CE 4.04Å; V41-Y129 HydrophobicContact CB-CE1 4.42Å; V41-Y129 HydrophobicContact CG2-CD1 4.16Å; V41-Y129 HydrophobicContact CG2-CE1 3.59Å
42I98.6Very high96.1Very high42 Ų4260.4 Ų60.422%0.21533%0.334CS..EExtended strand (participates in β ladder)trans-106.1120.4177.5-54.494.6000108.2T8 D40 R53 E55T8-I42 HydrophobicContact CG2-CG1 4.13Å; D40-I42 HydrophobicContact CB-CD1 4.38Å; I42-R53 HydrophobicContact CB-CB 4.37Å; I42-R53 PolarHBondContact N-O 3.26Å; I42-R53 PolarHBondContact O-N 2.89Å; I42-E55 HydrophobicContact CD1-CB 4.43Å; I42-E55 HydrophobicContact CD1-CG 3.76Å; I42-E55 WeakPolarHBondContact CD1-OE2 3.21Å
43I98.6Very high96.3Very high3 Ų358.9 Ų58.92%0.01533%0.325CS..EExtended strand (participates in β ladder)trans-115125.5178.7-54.5-179.5000108.4F5 V6 G7 V41 V50 T51 I52 M114F5-I43 HydrophobicContact CB-CD1 3.99Å; F5-I43 HydrophobicContact CB-CG2 4.38Å; F5-I43 WeakPolarHBondContact O-CB 3.43Å; V6-I43 WeakPolarHBondContact CA-O 3.46Å; G7-I43 PolarHBondContact N-O 3.14Å; G7-I43 PolarHBondContact O-N 2.81Å; V41-I43 HydrophobicContact CG1-CD1 4.17Å; V41-I43 HydrophobicContact CG1-CG1 3.9Å; I43-V50 HydrophobicContact CG2-CG1 4.2Å; I43-T51 WeakPolarHBondContact CA-O 3.25Å; I43-I52 HydrophobicContact CG1-CG1 4.19Å; I43-I52 HydrophobicContact CG1-CG2 4.39Å; I43-I52 HydrophobicContact CG2-CG1 4.38Å; I43-M114 HydrophobicContact CD1-SD 4.06Å
44S98.3Very high96.5Very high55 Ų5556.2 Ų56.239%0.38531%0.312SS..EExtended strand (participates in β ladder)trans-131.7163176.9690000111.1T51S44-T51 PolarHBondContact N-O 2.89Å; S44-T51 PolarHBondContact O-N 2.82Å
45M97.6Very high96.8Very high68 Ų6858.8 Ų58.834%0.33532%0.321SS..EExtended strand (participates in β ladder)trans-137.8135.4177.9-68.3-176.265.400110.5C2 N3 V6 I49 V50C2-M45 HydrophobicContact CB-CE 4.26Å; C2-M45 HydrophobicContact CB-SD 4.1Å; N3-M45 HydrophobicContact CB-SD 4.2Å; V6-M45 HydrophobicContact CG2-CB 4.21Å; V6-M45 HydrophobicContact CG2-CG 3.67Å; V6-M45 HydrophobicContact CG2-SD 3.89Å; M45-I49 CarbonylContact C-O 3.56Å; M45-I49 VanDerWaalsContact CA-O 3.28Å; M45-I49 WeakPolarHBondContact CA-O 3.44Å; M45-V50 HydrophobicContact CE-CG2 4.03Å; M45-V50 HydrophobicContact CG-CB 4.48Å; M45-V50 HydrophobicContact CG-CG1 4.39Å; M45-V50 HydrophobicContact CG-CG2 4.08Å; M45-V50 HydrophobicContact SD-CG2 4.31Å
46K97.2Very high96.8Very high179 Ų17957.9 Ų57.978%0.77831%0.308SS*.EExtended strand (participates in β ladder)trans-127.8101.4170.5-176-179.5178.3-178.60108.7D48 I49K46-D48 PolarHBondContact O-N 3.02Å; K46-I49 PolarHBondContact N-O 2.82Å; K46-I49 PolarHBondContact O-N 3.04Å
47G95.6Very high96.4Very high71 Ų7158.2 Ų58.273%0.73232%0.316SS*.THydrogen-bonded Turntrans64-121.2-171.100000111
48D95.8Very high96Very high93 Ų9362.4 Ų62.450%0.49733%0.332SS..THydrogen-bonded Turntrans-92.5-1.3178.567.1-17000114K46 K66K46-D48 PolarHBondContact O-N 3.02Å; D48-K66 VanDerWaalsContact OD1-CE 3.3Å; D48-K66 WeakPolarHBondContact OD1-CE 3.39Å; D48-K66 IonicContact OD1-NZ 2.9Å; D48-K66 PolarHBondContact OD1-NZ 3.21Å; D48-K66 WeakPolarHBondContact OD2-CD 3.32Å; D48-K66 WeakPolarHBondContact OD2-CE 3.16Å; D48-K66 IonicContact OD2-NZ 3.36Å; D48-K66 PolarHBondContact OD2-NZ 3.09Å
49I98Very high95.7Very high66 Ų6658.5 Ų58.534%0.33832%0.316SS..EExtended strand (participates in β ladder)trans-90.9124.9178-57.8176.2000109.3M45 K46 K66M45-I49 CarbonylContact C-O 3.56Å; M45-I49 VanDerWaalsContact CA-O 3.28Å; M45-I49 WeakPolarHBondContact CA-O 3.44Å; K46-I49 PolarHBondContact N-O 2.82Å; K46-I49 PolarHBondContact O-N 3.04Å; I49-K66 HydrophobicContact CG1-CG 4.23Å
50V98.4Very high95.6Very high0 Ų062.4 Ų62.40%034%0.336CS..EExtended strand (participates in β ladder)trans-101.2132.2171.2-175.20000108.1I43 M45 I52 S64 F65I43-V50 HydrophobicContact CG2-CG1 4.2Å; M45-V50 HydrophobicContact CE-CG2 4.03Å; M45-V50 HydrophobicContact CG-CB 4.48Å; M45-V50 HydrophobicContact CG-CG1 4.39Å; M45-V50 HydrophobicContact CG-CG2 4.08Å; M45-V50 HydrophobicContact SD-CG2 4.31Å; V50-I52 HydrophobicContact CG1-CG1 4.35Å; V50-S64 CarbonylContact O-C 3.57Å; V50-S64 WeakPolarHBondContact O-CA 3.34Å; V50-F65 HydrophobicContact CB-CD2 4.24Å; V50-F65 HydrophobicContact CB-CE1 4.38Å; V50-F65 HydrophobicContact CB-CE2 3.69Å; V50-F65 HydrophobicContact CB-CZ 3.77Å; V50-F65 HydrophobicContact CG1-CE1 4.31Å; V50-F65 HydrophobicContact CG1-CE2 4.05Å; V50-F65 HydrophobicContact CG1-CZ 3.66Å; V50-F65 HydrophobicContact CG2-CE2 4.18Å; V50-F65 PolarHBondContact N-O 3.18Å; V50-F65 PolarHBondContact O-N 2.96Å
51T98.6Very high95.6Very high27 Ų2761.9 Ų61.917%0.16633%0.334CS..EExtended strand (participates in β ladder)trans-115129.6172.5-58.50000109I43 S44 E62 I63 S64I43-T51 WeakPolarHBondContact CA-O 3.25Å; S44-T51 PolarHBondContact N-O 2.89Å; S44-T51 PolarHBondContact O-N 2.82Å; T51-E62 HydrophobicContact CG2-CG 3.83Å; T51-I63 CarbonylContact C-O 3.47Å; T51-I63 VanDerWaalsContact CA-O 3.27Å; T51-I63 WeakPolarHBondContact CA-O 3.49Å; T51-S64 WeakPolarHBondContact CG2-OG 3.32Å; T51-S64 PolarHBondContact OG1-OG 2.95Å
52I98.6Very high95.6Very high3 Ų367 Ų672%0.01536%0.358CS..EExtended strand (participates in β ladder)trans-118.1116.7171.9-57.6-179.4000107.5V41 I43 V50 E62 I63 F65V41-I52 HydrophobicContact CG1-CG2 3.98Å; I43-I52 HydrophobicContact CG1-CG1 4.19Å; I43-I52 HydrophobicContact CG1-CG2 4.39Å; I43-I52 HydrophobicContact CG2-CG1 4.38Å; V50-I52 HydrophobicContact CG1-CG1 4.35Å; I52-E62 WeakPolarHBondContact O-CA 3.48Å; I52-I63 HydrophobicContact CB-CD1 4.35Å; I52-I63 HydrophobicContact CB-CG1 3.93Å; I52-I63 PolarHBondContact N-O 2.91Å; I52-I63 PolarHBondContact O-N 3.42Å; I52-F65 HydrophobicContact CD1-CE1 3.86Å; I52-F65 HydrophobicContact CD1-CZ 3.82Å; I52-F65 HydrophobicContact CG1-CE1 3.93Å; I52-F65 HydrophobicContact CG1-CZ 4.15Å
53R98.4Very high95.6Very high106 Ų10666 Ų6640%0.435%0.352SS..EExtended strand (participates in β ladder)trans-108.4131.9172.6-174.5176.7174.4157.7-11.3109V41 I42 E55 T61 E62V41-R53 CarbonylContact C-O 3.57Å; V41-R53 WeakPolarHBondContact CA-O 3.3Å; I42-R53 HydrophobicContact CB-CB 4.37Å; I42-R53 PolarHBondContact N-O 3.26Å; I42-R53 PolarHBondContact O-N 2.89Å; R53-E55 HydrophobicContact CG-CG 3.9Å; R53-E55 IonicContact CZ-OE1 2.99Å; R53-E55 IonicContact NE-OE1 2.7Å; R53-E55 PolarHBondContact NE-OE1 2.86Å; R53-E55 IonicContact NH2-OE1 2.63Å; R53-E55 PolarHBondContact NH2-OE1 2.9Å; R53-T61 CarbonylContact C-O 3.54Å; R53-T61 WeakPolarHBondContact CA-O 3.45Å; R53-E62 HydrophobicContact CB-CG 4.3Å; R53-E62 WeakPolarHBondContact CD-OE2 3.49Å; R53-E62 HydrophobicContact CG-CB 4.45Å; R53-E62 IonicContact NH1-OE2 3.56Å
54T98Very high95.6Very high33 Ų3368.9 Ų68.920%0.20237%0.373CS..EExtended strand (participates in β ladder)trans-115.9120.5174.4-51.90000107.7P39 D40 V41 N60 T61P39-T54 HydrophobicContact CB-CG2 3.66Å; P39-T54 HydrophobicContact CG-CG2 4.37Å; D40-T54 CarbonylContact O-C 3.59Å; D40-T54 WeakPolarHBondContact O-CA 3.45Å; V41-T54 HydrophobicContact CG2-CG2 4.27Å; T54-N60 CarbonylContact O-C 3.55Å; T54-N60 VanDerWaalsContact O-CA 3.27Å; T54-N60 WeakPolarHBondContact O-CA 3.41Å; T54-T61 WeakPolarHBondContact CB-OG1 3.28Å; T54-T61 PolarHBondContact N-O 3.01Å; T54-T61 PolarHBondContact O-N 2.93Å
55E97Very high95.6Very high63 Ų6366.6 Ų66.629%0.29436%0.356SS..EExtended strand (participates in β ladder)trans-117.2132.4-176.3-57.8-164.9124.800111P39 D40 I42 R53 N60P39-E55 CarbonylContact C-O 3.58Å; P39-E55 WeakPolarHBondContact CA-O 3.35Å; P39-E55 WeakPolarHBondContact CB-O 3.49Å; D40-E55 PolarHBondContact N-O 2.84Å; D40-E55 PolarHBondContact O-N 2.78Å; I42-E55 HydrophobicContact CD1-CB 4.43Å; I42-E55 HydrophobicContact CD1-CG 3.76Å; I42-E55 WeakPolarHBondContact CD1-OE2 3.21Å; R53-E55 HydrophobicContact CG-CG 3.9Å; R53-E55 IonicContact CZ-OE1 2.99Å; R53-E55 IonicContact NE-OE1 2.7Å; R53-E55 PolarHBondContact NE-OE1 2.86Å; R53-E55 IonicContact NH2-OE1 2.63Å; R53-E55 PolarHBondContact NH2-OE1 2.9Å; E55-N60 VanDerWaalsContact CA-OD1 3.27Å; E55-N60 WeakPolarHBondContact CA-OD1 3.44Å
56S92.3Very high95.6Very high28 Ų2866.7 Ų66.720%0.19636%0.355CS..  trans-150.1170.3172.769.40000110.8F58 K59 N60S56-F58 PolarHBondContact O-N 3.2Å; S56-F58 PolarHBondContact OG-N 3.15Å; S56-K59 PolarHBondContact OG-N 3.15Å; S56-K59 PolarHBondContact OG-O 3.12Å; S56-N60 PolarHBondContact N-OD1 2.87Å; S56-N60 PolarHBondContact O-OD1 2.82Å
57T85.1Confident95.7Very high150 Ų15061.1 Ų61.192%0.9233%0.333SS*.SBendtrans-67.9-11.3170.652.70000113.4
58F83.6Confident95.8Very high98 Ų9860.2 Ų60.243%0.4332%0.324SS..SBendtrans-100.3-59-176.2179.5-120.4000112.6L33 A37 S56L33-F58 HydrophobicContact CB-CD2 3.88Å; L33-F58 HydrophobicContact CB-CE1 4.46Å; L33-F58 HydrophobicContact CB-CE2 3.79Å; L33-F58 HydrophobicContact CB-CG 4.28Å; L33-F58 HydrophobicContact CB-CZ 4.09Å; L33-F58 HydrophobicContact CD1-CD2 3.95Å; L33-F58 HydrophobicContact CD1-CE2 3.44Å; L33-F58 VanDerWaalsContact CD1-CE2 3.44Å; L33-F58 HydrophobicContact CD1-CZ 4.19Å; L33-F58 HydrophobicContact CG-CD2 4.49Å; L33-F58 HydrophobicContact CG-CE2 4.25Å; A37-F58 HydrophobicContact CB-CB 4.48Å; S56-F58 PolarHBondContact O-N 3.2Å; S56-F58 PolarHBondContact OG-N 3.15Å
59K88.1Confident95.9Very high80 Ų8061 Ų6135%0.34833%0.325SS..  trans-147140.1-179.2-167.591.6171.3-152.20109.5S56 A76 D78S56-K59 PolarHBondContact OG-N 3.15Å; S56-K59 PolarHBondContact OG-O 3.12Å; K59-A76 HydrophobicContact CG-CB 4.36Å; K59-D78 IonicContact NZ-OD1 3.29Å; K59-D78 PolarHBondContact NZ-OD1 2.79Å; K59-D78 IonicContact NZ-OD2 2.69Å
60N94.8Very high95.9Very high93 Ų9364 Ų6450%0.49734%0.337SS..  trans-109142.1172.7-62.8-19.3000109.6T54 E55 S56T54-N60 CarbonylContact O-C 3.55Å; T54-N60 VanDerWaalsContact O-CA 3.27Å; T54-N60 WeakPolarHBondContact O-CA 3.41Å; E55-N60 VanDerWaalsContact CA-OD1 3.27Å; E55-N60 WeakPolarHBondContact CA-OD1 3.44Å; S56-N60 PolarHBondContact N-OD1 2.87Å; S56-N60 PolarHBondContact O-OD1 2.82Å
61T97.1Very high96Very high35 Ų3565.6 Ų65.622%0.21534%0.344CS..EExtended strand (participates in β ladder)trans-137.6151.3175.555.60000109.9R53 T54 A76R53-T61 CarbonylContact C-O 3.54Å; R53-T61 WeakPolarHBondContact CA-O 3.45Å; T54-T61 WeakPolarHBondContact CB-OG1 3.28Å; T54-T61 PolarHBondContact N-O 3.01Å; T54-T61 PolarHBondContact O-N 2.93Å; T61-A76 HydrophobicContact CG2-CB 3.77Å
62E98.1Very high95.9Very high114 Ų11469.8 Ų69.853%0.53337%0.365SS..EExtended strand (participates in β ladder)trans-142.3132.2174.8-172.6174.9105.400108.9T51 I52 R53T51-E62 HydrophobicContact CG2-CG 3.83Å; I52-E62 WeakPolarHBondContact O-CA 3.48Å; R53-E62 HydrophobicContact CB-CG 4.3Å; R53-E62 WeakPolarHBondContact CD-OE2 3.49Å; R53-E62 HydrophobicContact CG-CB 4.45Å; R53-E62 IonicContact NH1-OE2 3.56Å
63I98.4Very high95.9Very high20 Ų2070.8 Ų70.810%0.10337%0.37CS..EExtended strand (participates in β ladder)trans-127140.4172.657.5172.4000109.2T51 I52 F65 F71 E73T51-I63 CarbonylContact C-O 3.47Å; T51-I63 VanDerWaalsContact CA-O 3.27Å; T51-I63 WeakPolarHBondContact CA-O 3.49Å; I52-I63 HydrophobicContact CB-CD1 4.35Å; I52-I63 HydrophobicContact CB-CG1 3.93Å; I52-I63 PolarHBondContact N-O 2.91Å; I52-I63 PolarHBondContact O-N 3.42Å; I63-F65 HydrophobicContact CB-CD1 4.44Å; I63-F65 HydrophobicContact CD1-CD1 3.94Å; I63-F65 HydrophobicContact CD1-CE1 3.73Å; I63-F65 HydrophobicContact CG1-CD1 4.06Å; I63-F65 HydrophobicContact CG1-CE1 3.98Å; I63-F71 HydrophobicContact CB-CE2 4.03Å; I63-F71 HydrophobicContact CD1-CE2 4.45Å; I63-F71 HydrophobicContact CD1-CZ 4.15Å; I63-F71 HydrophobicContact CG2-CE2 4.11Å; I63-E73 HydrophobicContact CG2-CG 3.81Å
64S98.3Very high95.9Very high65 Ų6571.4 Ų71.446%0.45538%0.379SS..EExtended strand (participates in β ladder)trans-126.7127172.4-68.50000109.1V50 T51V50-S64 CarbonylContact O-C 3.57Å; V50-S64 WeakPolarHBondContact O-CA 3.34Å; T51-S64 WeakPolarHBondContact CG2-OG 3.32Å; T51-S64 PolarHBondContact OG1-OG 2.95Å
65F98.4Very high95.8Very high7 Ų770.1 Ų70.13%0.03137%0.371CS..EExtended strand (participates in β ladder)trans-150160.2-171.558.1-92.1000111.9V50 I52 I63 L67 F71 V85V50-F65 HydrophobicContact CB-CD2 4.24Å; V50-F65 HydrophobicContact CB-CE1 4.38Å; V50-F65 HydrophobicContact CB-CE2 3.69Å; V50-F65 HydrophobicContact CB-CZ 3.77Å; V50-F65 HydrophobicContact CG1-CE1 4.31Å; V50-F65 HydrophobicContact CG1-CE2 4.05Å; V50-F65 HydrophobicContact CG1-CZ 3.66Å; V50-F65 HydrophobicContact CG2-CE2 4.18Å; V50-F65 PolarHBondContact N-O 3.18Å; V50-F65 PolarHBondContact O-N 2.96Å; I52-F65 HydrophobicContact CD1-CE1 3.86Å; I52-F65 HydrophobicContact CD1-CZ 3.82Å; I52-F65 HydrophobicContact CG1-CE1 3.93Å; I52-F65 HydrophobicContact CG1-CZ 4.15Å; I63-F65 HydrophobicContact CB-CD1 4.44Å; I63-F65 HydrophobicContact CD1-CD1 3.94Å; I63-F65 HydrophobicContact CD1-CE1 3.73Å; I63-F65 HydrophobicContact CG1-CD1 4.06Å; I63-F65 HydrophobicContact CG1-CE1 3.98Å; F65-L67 HydrophobicContact CE2-CD2 4.08Å; F65-F71 HydrophobicContact CB-CD1 3.62Å; F65-F71 HydrophobicContact CB-CE1 3.53Å; F65-F71 HydrophobicContact CB-CE2 4.46Å; F65-F71 HydrophobicContact CB-CG 4.17Å; F65-F71 HydrophobicContact CB-CZ 3.98Å; F65-F71 HydrophobicContact CD1-CE1 4.21Å; F65-F71 AromaticContact CD1-CZ 3.98Å; F65-F71 HydrophobicContact CD1-CZ 3.98Å; F65-F71 HydrophobicContact CG-CD1 4.48Å; F65-F71 AromaticContact CG-CE1 3.91Å; F65-F71 HydrophobicContact CG-CE1 3.91Å; F65-F71 HydrophobicContact CG-CZ 4.16Å; F65-V85 HydrophobicContact CD1-CG2 4.25Å; F65-V85 HydrophobicContact CD2-CB 3.7Å; F65-V85 HydrophobicContact CD2-CG1 4.37Å; F65-V85 HydrophobicContact CD2-CG2 3.88Å; F65-V85 HydrophobicContact CE1-CG2 4.03Å; F65-V85 HydrophobicContact CE2-CB 3.39Å; F65-V85 HydrophobicContact CE2-CG1 3.55Å; F65-V85 HydrophobicContact CE2-CG2 3.66Å; F65-V85 HydrophobicContact CG-CB 4.47Å; F65-V85 HydrophobicContact CG-CG2 4.18Å; F65-V85 HydrophobicContact CZ-CB 3.93Å; F65-V85 HydrophobicContact CZ-CG1 3.87Å; F65-V85 HydrophobicContact CZ-CG2 3.74Å
66K98.3Very high95.7Very high70 Ų7069.5 Ų69.530%0.30438%0.377SS..EExtended strand (participates in β ladder)trans-100.3141.5165.4-65.2-173.9177.7-155.60108.9D48 I49 G68 Q69D48-K66 VanDerWaalsContact OD1-CE 3.3Å; D48-K66 WeakPolarHBondContact OD1-CE 3.39Å; D48-K66 IonicContact OD1-NZ 2.9Å; D48-K66 PolarHBondContact OD1-NZ 3.21Å; D48-K66 WeakPolarHBondContact OD2-CD 3.32Å; D48-K66 WeakPolarHBondContact OD2-CE 3.16Å; D48-K66 IonicContact OD2-NZ 3.36Å; D48-K66 PolarHBondContact OD2-NZ 3.09Å; I49-K66 HydrophobicContact CG1-CG 4.23Å; K66-G68 PolarHBondContact O-N 2.96Å; K66-Q69 HydrophobicContact CB-CB 4.22Å; K66-Q69 HydrophobicContact CB-CG 4.01Å; K66-Q69 PolarHBondContact O-N 2.81Å
67L98Very high95.8Very high62 Ų6270.6 Ų70.633%0.32538%0.38SS..THydrogen-bonded Turntrans-59.7135.9178.6-67.3173.1000110.8C2 F65 Q69 V85 L87 L92C2-L67 HydrophobicContact CB-CD1 3.98Å; F65-L67 HydrophobicContact CE2-CD2 4.08Å; L67-Q69 PolarHBondContact O-N 3.05Å; L67-V85 CarbonylContact C-O 3.54Å; L67-V85 WeakPolarHBondContact CA-O 3.43Å; L67-V85 HydrophobicContact CD2-CB 4.44Å; L67-V85 HydrophobicContact CD2-CG1 4.03Å; L67-L87 HydrophobicContact CD1-CB 4.3Å; L67-L92 HydrophobicContact CD2-CD2 3.91Å
68G98.2Very high96.2Very high51 Ų5168.3 Ų68.353%0.52636%0.362SS..THydrogen-bonded Turntrans75.6-2.3-179.500000115.3K66 V85K66-G68 PolarHBondContact O-N 2.96Å; G68-V85 PolarHBondContact N-O 3.37Å
69Q98.5Very high96.9Very high111 Ų11165 Ų6552%0.51935%0.347SS..  trans-101135.3178-59.9-170.712.400110.8K66 L67K66-Q69 HydrophobicContact CB-CB 4.22Å; K66-Q69 HydrophobicContact CB-CG 4.01Å; K66-Q69 PolarHBondContact O-N 2.81Å; L67-Q69 PolarHBondContact O-N 3.05Å
70Q98.6Very high97.3Very high129 Ų12969.2 Ų69.260%0.60337%0.366SS*.EExtended strand (participates in β ladder)trans-75.1141.9175.7-173.2176.896.200110.6K82 S83Q70-K82 HydrophobicContact CG-CB 4.2Å; Q70-K82 HydrophobicContact CG-CD 4.38Å; Q70-S83 CarbonylContact C-O 3.55Å; Q70-S83 VanDerWaalsContact CA-O 3.23Å; Q70-S83 WeakPolarHBondContact CA-O 3.47Å
71F98.7Very high97.5Very high32 Ų3265 Ų6514%0.1434%0.343CS..EExtended strand (participates in β ladder)trans-142.8162.5175.965-77.9000111.4I63 F65 E73 S83 V85I63-F71 HydrophobicContact CB-CE2 4.03Å; I63-F71 HydrophobicContact CD1-CE2 4.45Å; I63-F71 HydrophobicContact CD1-CZ 4.15Å; I63-F71 HydrophobicContact CG2-CE2 4.11Å; F65-F71 HydrophobicContact CB-CD1 3.62Å; F65-F71 HydrophobicContact CB-CE1 3.53Å; F65-F71 HydrophobicContact CB-CE2 4.46Å; F65-F71 HydrophobicContact CB-CG 4.17Å; F65-F71 HydrophobicContact CB-CZ 3.98Å; F65-F71 HydrophobicContact CD1-CE1 4.21Å; F65-F71 AromaticContact CD1-CZ 3.98Å; F65-F71 HydrophobicContact CD1-CZ 3.98Å; F65-F71 HydrophobicContact CG-CD1 4.48Å; F65-F71 AromaticContact CG-CE1 3.91Å; F65-F71 HydrophobicContact CG-CE1 3.91Å; F65-F71 HydrophobicContact CG-CZ 4.16Å; F71-E73 HydrophobicContact CD2-CB 4.31Å; F71-E73 HydrophobicContact CE2-CB 3.85Å; F71-E73 HydrophobicContact CE2-CG 4.48Å; F71-S83 VanDerWaalsContact CD1-O 3.25Å; F71-S83 WeakPolarHBondContact CD1-O 3.31Å; F71-S83 VanDerWaalsContact CZ-CB 3.48Å; F71-S83 PolarHBondContact N-O 2.95Å; F71-S83 PolarHBondContact O-N 2.93Å; F71-V85 HydrophobicContact CE1-CG2 4.13Å; F71-V85 HydrophobicContact CZ-CG2 4.39Å
72D98.4Very high97.6Very high116 Ų11667.4 Ų67.462%0.6235%0.35SS*.EExtended strand (participates in β ladder)trans-81.8129.8171.2-73.8-65.8000110.3K82D72-K82 WeakPolarHBondContact OD1-CD 3.38Å; D72-K82 WeakPolarHBondContact OD1-CE 3.45Å; D72-K82 IonicContact OD1-NZ 3.5Å; D72-K82 PolarHBondContact OD1-NZ 3.04Å; D72-K82 IonicContact OD2-NZ 3.78Å; D72-K82 PolarHBondContact OD2-NZ 2.98Å
73E98.4Very high97.6Very high23 Ų2362 Ų6211%0.10733%0.325CS..EExtended strand (participates in β ladder)trans-125.2132.5178.6174.2177.5-173.400110.2I63 F71 T75 V81 S83 Q94 Q96I63-E73 HydrophobicContact CG2-CG 3.81Å; F71-E73 HydrophobicContact CD2-CB 4.31Å; F71-E73 HydrophobicContact CE2-CB 3.85Å; F71-E73 HydrophobicContact CE2-CG 4.48Å; E73-T75 HydrophobicContact CG-CG2 4.14Å; E73-V81 HydrophobicContact CB-CG2 3.69Å; E73-V81 HydrophobicContact CG-CG2 4.07Å; E73-V81 PolarHBondContact N-O 2.97Å; E73-V81 PolarHBondContact O-N 3.41Å; E73-S83 WeakPolarHBondContact OE2-CB 3.43Å; E73-S83 PolarHBondContact OE2-OG 3.32Å; E73-Q94 VanDerWaalsContact CD-NE2 3.32Å; E73-Q94 PolarHBondContact OE1-NE2 3.26Å; E73-Q94 PolarHBondContact OE2-NE2 2.88Å; E73-Q96 VanDerWaalsContact CD-NE2 3.25Å; E73-Q96 PolarHBondContact OE1-NE2 2.85Å; E73-Q96 PolarHBondContact OE2-NE2 2.82Å; E73-Q96 VanDerWaalsContact OE2-NE2 3.09Å
74M97.5Very high97.6Very high119 Ų11962.9 Ų62.959%0.58633%0.332SS*.EExtended strand (participates in β ladder)trans-98.3111.4164.1-174.9171.9-69.700108.1
75T96.8Very high97.7Very high6 Ų659.8 Ų59.84%0.03731%0.31CS..  trans-77.5163.4-176.859.70000111.7E73 D77 D78 R79 V81E73-T75 HydrophobicContact CG-CG2 4.14Å; T75-D77 WeakPolarHBondContact CB-OD1 3.5Å; T75-D77 PolarHBondContact O-N 3.48Å; T75-D77 PolarHBondContact OG1-OD1 3.26Å; T75-D78 PolarHBondContact O-N 2.81Å; T75-R79 PolarHBondContact N-O 3.26Å; T75-R79 WeakPolarHBondContact OG1-CA 3.47Å; T75-R79 VanDerWaalsContact OG1-CB 3.28Å; T75-R79 WeakPolarHBondContact OG1-CB 3.28Å; T75-R79 PolarHBondContact OG1-N 3.07Å; T75-R79 PolarHBondContact OG1-O 3.28Å; T75-V81 HydrophobicContact CG2-CG1 3.98Å; T75-V81 HydrophobicContact CG2-CG2 3.85Å
76A94.3Very high97.7Very high50 Ų5061.3 Ų61.341%0.41332%0.32SS..THydrogen-bonded Turntrans-61.5-26-178.900000113.5K59 T61 D78K59-A76 HydrophobicContact CG-CB 4.36Å; T61-A76 HydrophobicContact CG2-CB 3.77Å; A76-D78 VanDerWaalsContact C-N 3.31Å
77D94.5Very high97.6Very high51 Ų5161.1 Ų61.127%0.27332%0.322SS..THydrogen-bonded Turntrans-94.723.4174.163.3-48.4000113.2V26 T75 R79V26-D77 HydrophobicContact CG2-CB 3.8Å; T75-D77 WeakPolarHBondContact CB-OD1 3.5Å; T75-D77 PolarHBondContact O-N 3.48Å; T75-D77 PolarHBondContact OG1-OD1 3.26Å; D77-R79 PolarHBondContact O-N 2.71Å; D77-R79 VanDerWaalsContact O-N 3.11Å; D77-R79 IonicContact OD1-CZ 2.68Å; D77-R79 IonicContact OD1-NE 2.7Å; D77-R79 PolarHBondContact OD1-NE 2.84Å; D77-R79 IonicContact OD1-NH2 3.22Å; D77-R79 PolarHBondContact OD1-NH2 3.29Å; D77-R79 WeakPolarHBondContact OD2-CD 3.44Å; D77-R79 IonicContact OD2-CZ 3.79Å; D77-R79 IonicContact OD2-NE 2.7Å; D77-R79 PolarHBondContact OD2-NE 2.92Å; D77-R79 IonicContact OD2-NH2 3Å; D77-R79 PolarHBondContact OD2-NH2 3.49Å
78D94.2Very high97.4Very high102 Ų10261.9 Ų61.955%0.54532%0.323SS..  trans63.314.6170.8-56-49.7000115.4K59 T75 A76K59-D78 IonicContact NZ-OD1 3.29Å; K59-D78 PolarHBondContact NZ-OD1 2.79Å; K59-D78 IonicContact NZ-OD2 2.69Å; T75-D78 PolarHBondContact O-N 2.81Å; A76-D78 VanDerWaalsContact C-N 3.31Å
79R96.8Very high97.1Very high29 Ų2969.8 Ų69.811%0.10934%0.343CS..  trans-71.7133.5167-58.6174.6-76118.314.1109.8T75 D77 V81 W98T75-R79 PolarHBondContact N-O 3.26Å; T75-R79 WeakPolarHBondContact OG1-CA 3.47Å; T75-R79 VanDerWaalsContact OG1-CB 3.28Å; T75-R79 WeakPolarHBondContact OG1-CB 3.28Å; T75-R79 PolarHBondContact OG1-N 3.07Å; T75-R79 PolarHBondContact OG1-O 3.28Å; D77-R79 PolarHBondContact O-N 2.71Å; D77-R79 VanDerWaalsContact O-N 3.11Å; D77-R79 IonicContact OD1-CZ 2.68Å; D77-R79 IonicContact OD1-NE 2.7Å; D77-R79 PolarHBondContact OD1-NE 2.84Å; D77-R79 IonicContact OD1-NH2 3.22Å; D77-R79 PolarHBondContact OD1-NH2 3.29Å; D77-R79 WeakPolarHBondContact OD2-CD 3.44Å; D77-R79 IonicContact OD2-CZ 3.79Å; D77-R79 IonicContact OD2-NE 2.7Å; D77-R79 PolarHBondContact OD2-NE 2.92Å; D77-R79 IonicContact OD2-NH2 3Å; D77-R79 PolarHBondContact OD2-NH2 3.49Å; R79-V81 HydrophobicContact CB-CG1 3.81Å; R79-W98 VanDerWaalsContact NH1-CH2 3.3Å
80K98Very high96.8Very high169 Ų16966.5 Ų66.574%0.73534%0.339SS*.EExtended strand (participates in β ladder)trans-87.1117.7163.6-62.8-179.5-177.7179.60108.3
81V98.6Very high96.8Very high4 Ų461 Ų612%0.02432%0.316CS..EExtended strand (participates in β ladder)trans-128.7155.1-174.9-500000110.4E73 T75 R79 S83 Q96 K97 W98E73-V81 HydrophobicContact CB-CG2 3.69Å; E73-V81 HydrophobicContact CG-CG2 4.07Å; E73-V81 PolarHBondContact N-O 2.97Å; E73-V81 PolarHBondContact O-N 3.41Å; T75-V81 HydrophobicContact CG2-CG1 3.98Å; T75-V81 HydrophobicContact CG2-CG2 3.85Å; R79-V81 HydrophobicContact CB-CG1 3.81Å; V81-S83 VanDerWaalsContact CG2-OG 3.3Å; V81-S83 WeakPolarHBondContact CG2-OG 3.21Å; V81-Q96 HydrophobicContact CB-CB 4.27Å; V81-Q96 HydrophobicContact CG2-CB 3.99Å; V81-Q96 HydrophobicContact CG2-CG 4.15Å; V81-K97 WeakPolarHBondContact CA-O 3.27Å; V81-W98 HydrophobicContact CB-CB 4.4Å; V81-W98 HydrophobicContact CG1-CB 3.96Å; V81-W98 HydrophobicContact CG1-CD2 4.12Å; V81-W98 HydrophobicContact CG1-CE3 3.94Å; V81-W98 HydrophobicContact CG1-CG 4.14Å
82K98.7Very high96.7Very high85 Ų8559.5 Ų59.537%0.3731%0.309SS..EExtended strand (participates in β ladder)trans-90.9122.9161.7-69.3-63.7-172-176.90108.3Q70 D72 K97Q70-K82 HydrophobicContact CG-CB 4.2Å; Q70-K82 HydrophobicContact CG-CD 4.38Å; D72-K82 WeakPolarHBondContact OD1-CD 3.38Å; D72-K82 WeakPolarHBondContact OD1-CE 3.45Å; D72-K82 IonicContact OD1-NZ 3.5Å; D72-K82 PolarHBondContact OD1-NZ 3.04Å; D72-K82 IonicContact OD2-NZ 3.78Å; D72-K82 PolarHBondContact OD2-NZ 2.98Å; K82-K97 PolarHBondContact N-O 2.82Å; K82-K97 PolarHBondContact O-N 2.94Å
83S98.8Very high96.7Very high0 Ų054.7 Ų54.70%028%0.283CS..EExtended strand (participates in β ladder)trans-117.8147-176-71.50000112.1Q70 F71 E73 V81 V95 Q96Q70-S83 CarbonylContact C-O 3.55Å; Q70-S83 VanDerWaalsContact CA-O 3.23Å; Q70-S83 WeakPolarHBondContact CA-O 3.47Å; F71-S83 VanDerWaalsContact CD1-O 3.25Å; F71-S83 WeakPolarHBondContact CD1-O 3.31Å; F71-S83 VanDerWaalsContact CZ-CB 3.48Å; F71-S83 PolarHBondContact N-O 2.95Å; F71-S83 PolarHBondContact O-N 2.93Å; E73-S83 WeakPolarHBondContact OE2-CB 3.43Å; E73-S83 PolarHBondContact OE2-OG 3.32Å; V81-S83 VanDerWaalsContact CG2-OG 3.3Å; V81-S83 WeakPolarHBondContact CG2-OG 3.21Å; S83-V95 VanDerWaalsContact CA-O 3.29Å; S83-V95 WeakPolarHBondContact CA-O 3.12Å; S83-Q96 WeakPolarHBondContact OG-CG 3.42Å
84V98.8Very high96.7Very high40 Ų4053.7 Ų53.724%0.24228%0.278CS..EExtended strand (participates in β ladder)trans-136.9138.4167.961.20000108.4T86 Q94 V95V84-T86 HydrophobicContact CG2-CG2 4.33Å; V84-Q94 WeakPolarHBondContact O-CA 3.45Å; V84-V95 HydrophobicContact CG1-CB 4.07Å; V84-V95 PolarHBondContact N-O 2.87Å; V84-V95 PolarHBondContact O-N 3.44Å
85V98.8Very high96.8Very high0 Ų049 Ų490%026%0.257CS..EExtended strand (participates in β ladder)trans-117.1123.1175.3-174.10000109.4F65 L67 G68 F71 L92 L93 Q94F65-V85 HydrophobicContact CD1-CG2 4.25Å; F65-V85 HydrophobicContact CD2-CB 3.7Å; F65-V85 HydrophobicContact CD2-CG1 4.37Å; F65-V85 HydrophobicContact CD2-CG2 3.88Å; F65-V85 HydrophobicContact CE1-CG2 4.03Å; F65-V85 HydrophobicContact CE2-CB 3.39Å; F65-V85 HydrophobicContact CE2-CG1 3.55Å; F65-V85 HydrophobicContact CE2-CG2 3.66Å; F65-V85 HydrophobicContact CG-CB 4.47Å; F65-V85 HydrophobicContact CG-CG2 4.18Å; F65-V85 HydrophobicContact CZ-CB 3.93Å; F65-V85 HydrophobicContact CZ-CG1 3.87Å; F65-V85 HydrophobicContact CZ-CG2 3.74Å; L67-V85 CarbonylContact C-O 3.54Å; L67-V85 WeakPolarHBondContact CA-O 3.43Å; L67-V85 HydrophobicContact CD2-CB 4.44Å; L67-V85 HydrophobicContact CD2-CG1 4.03Å; G68-V85 PolarHBondContact N-O 3.37Å; F71-V85 HydrophobicContact CE1-CG2 4.13Å; F71-V85 HydrophobicContact CZ-CG2 4.39Å; V85-L92 HydrophobicContact CG1-CB 4.42Å; V85-L92 HydrophobicContact CG1-CD2 4.25Å; V85-L93 CarbonylContact C-O 3.53Å; V85-L93 VanDerWaalsContact CA-O 3.28Å; V85-L93 WeakPolarHBondContact CA-O 3.49Å; V85-Q94 HydrophobicContact CG2-CB 3.91Å; V85-Q94 HydrophobicContact CG2-CG 3.88Å
86T98.3Very high96.9Very high38 Ų3849 Ų4923%0.23326%0.256CS..EExtended strand (participates in β ladder)trans-115.6157.2176.758.20000110.7V84 E88 L92 L93V84-T86 HydrophobicContact CG2-CG2 4.33Å; T86-E88 PolarHBondContact OG1-OE1 3.11Å; T86-E88 VanDerWaalsContact OG1-OE1 3.06Å; T86-L92 WeakPolarHBondContact O-CA 3.33Å; T86-L93 PolarHBondContact N-O 2.91Å; T86-L93 PolarHBondContact O-N 2.93Å
87L96.9Very high97.1Very high66 Ų6651.8 Ų51.835%0.34626%0.259SS..EExtended strand (participates in β ladder)trans-104.7104170.8-175.672000108.8F5 L67 S91 L92F5-L87 HydrophobicContact CE2-CD1 4.5Å; L67-L87 HydrophobicContact CD1-CB 4.3Å; L87-S91 CarbonylContact C-O 3.58Å; L87-S91 WeakPolarHBondContact CA-O 3.36Å; L87-L92 HydrophobicContact CB-CD2 4.42Å; L87-L92 HydrophobicContact CD1-CD2 3.79Å; L87-L92 HydrophobicContact CD1-CG 4.27Å
88E93.8Very high97.3Very high78 Ų7850.5 Ų50.536%0.36425%0.25SS..EExtended strand (participates in β ladder)trans-117.4120.3-175.7-70.8177-166.800110.6T86 G90 S91 L93 R106T86-E88 PolarHBondContact OG1-OE1 3.11Å; T86-E88 VanDerWaalsContact OG1-OE1 3.06Å; E88-G90 PolarHBondContact O-N 2.7Å; E88-S91 PolarHBondContact N-O 2.97Å; E88-S91 WeakPolarHBondContact O-CB 3.49Å; E88-S91 PolarHBondContact O-N 3.24Å; E88-L93 WeakPolarHBondContact OE2-CD2 3.48Å; E88-R106 IonicContact OE2-NH2 2.83Å
89K91.8Very high97.4Very high217 Ų21753.1 Ų53.194%0.94326%0.264SS*.THydrogen-bonded Turntrans4937.5177.8-56.7180-179179.60112.8S91K89-S91 VanDerWaalsContact C-N 3.34Å; K89-S91 PolarHBondContact O-N 2.88Å
90G92.9Very high97.4Very high42 Ų4256.2 Ų56.243%0.43331%0.305SS..THydrogen-bonded Turntrans81.62.7-179.400000116E88E88-G90 PolarHBondContact O-N 2.7Å
91S97Very high97.3Very high15 Ų1552.5 Ų52.511%0.10529%0.289CS..EExtended strand (participates in β ladder)trans-105.7143175.4-54.90000111.1L87 E88 K89 R107L87-S91 CarbonylContact C-O 3.58Å; L87-S91 WeakPolarHBondContact CA-O 3.36Å; E88-S91 PolarHBondContact N-O 2.97Å; E88-S91 WeakPolarHBondContact O-CB 3.49Å; E88-S91 PolarHBondContact O-N 3.24Å; K89-S91 VanDerWaalsContact C-N 3.34Å; K89-S91 PolarHBondContact O-N 2.88Å; S91-R107 CarbonylContact C-O 3.59Å; S91-R107 VanDerWaalsContact CA-O 3.29Å; S91-R107 WeakPolarHBondContact CA-O 3.33Å; S91-R107 WeakPolarHBondContact CB-O 3.34Å
92L97.9Very high97.3Very high0 Ų056.7 Ų56.70%031%0.309CS..EExtended strand (participates in β ladder)trans-84113.7168-68.6172.2000108.9C2 F5 L67 V85 T86 L87 R106 R107C2-L92 HydrophobicContact CB-CD2 4.45Å; F5-L92 HydrophobicContact CB-CD1 4.1Å; F5-L92 HydrophobicContact CD1-CD1 4.21Å; F5-L92 HydrophobicContact CD2-CD1 3.63Å; F5-L92 HydrophobicContact CD2-CG 3.89Å; F5-L92 HydrophobicContact CE2-CD1 4.07Å; F5-L92 HydrophobicContact CE2-CG 3.83Å; F5-L92 HydrophobicContact CG-CD1 3.71Å; F5-L92 HydrophobicContact CG-CG 4.39Å; F5-L92 HydrophobicContact CZ-CG 4.27Å; L67-L92 HydrophobicContact CD2-CD2 3.91Å; V85-L92 HydrophobicContact CG1-CB 4.42Å; V85-L92 HydrophobicContact CG1-CD2 4.25Å; T86-L92 WeakPolarHBondContact O-CA 3.33Å; L87-L92 HydrophobicContact CB-CD2 4.42Å; L87-L92 HydrophobicContact CD1-CD2 3.79Å; L87-L92 HydrophobicContact CD1-CG 4.27Å; L92-R106 CarbonylContact O-C 3.56Å; L92-R106 WeakPolarHBondContact O-CA 3.36Å; L92-R107 HydrophobicContact CB-CB 4.29Å; L92-R107 PolarHBondContact N-O 2.95Å; L92-R107 PolarHBondContact O-N 2.79Å
93L98.6Very high97.3Very high15 Ų1552.7 Ų52.78%0.07929%0.291CS..EExtended strand (participates in β ladder)trans-101.8114.5174.7178.864.9000108.9V85 T86 E88 V95 T104 R106V85-L93 CarbonylContact C-O 3.53Å; V85-L93 VanDerWaalsContact CA-O 3.28Å; V85-L93 WeakPolarHBondContact CA-O 3.49Å; T86-L93 PolarHBondContact N-O 2.91Å; T86-L93 PolarHBondContact O-N 2.93Å; E88-L93 WeakPolarHBondContact OE2-CD2 3.48Å; L93-V95 HydrophobicContact CD2-CG2 4.18Å; L93-V95 HydrophobicContact CG-CG2 4.07Å; L93-T104 HydrophobicContact CD1-CG2 4.43Å; L93-R106 HydrophobicContact CD1-CB 4.21Å
94Q98.8Very high97.3Very high1 Ų154.4 Ų54.41%0.00530%0.302CS..EExtended strand (participates in β ladder)trans-99.5123.5170.3178.31773.900108.6E73 V84 V85 Q96 T104 I105E73-Q94 VanDerWaalsContact CD-NE2 3.32Å; E73-Q94 PolarHBondContact OE1-NE2 3.26Å; E73-Q94 PolarHBondContact OE2-NE2 2.88Å; V84-Q94 WeakPolarHBondContact O-CA 3.45Å; V85-Q94 HydrophobicContact CG2-CB 3.91Å; V85-Q94 HydrophobicContact CG2-CG 3.88Å; Q94-Q96 HydrophobicContact CG-CG 4.28Å; Q94-T104 CarbonylContact O-C 3.58Å; Q94-T104 WeakPolarHBondContact O-CA 3.5Å; Q94-I105 HydrophobicContact CB-CB 4.23Å; Q94-I105 PolarHBondContact N-O 2.75Å; Q94-I105 PolarHBondContact O-N 2.96Å
95V98.8Very high97.3Very high22 Ų2253.5 Ų53.513%0.13330%0.295CS..EExtended strand (participates in β ladder)trans-110.1124.8174-177.60000108S83 V84 L93 K97 E102 T104S83-V95 VanDerWaalsContact CA-O 3.29Å; S83-V95 WeakPolarHBondContact CA-O 3.12Å; V84-V95 HydrophobicContact CG1-CB 4.07Å; V84-V95 PolarHBondContact N-O 2.87Å; V84-V95 PolarHBondContact O-N 3.44Å; L93-V95 HydrophobicContact CD2-CG2 4.18Å; L93-V95 HydrophobicContact CG-CG2 4.07Å; V95-K97 HydrophobicContact CG1-CG 4.34Å; V95-E102 HydrophobicContact CG1-CG 3.72Å; V95-T104 HydrophobicContact CG2-CG2 4.27Å
96Q98.8Very high97.3Very high5 Ų557.1 Ų57.12%0.02331%0.309CS..EExtended strand (participates in β ladder)trans-112.9128.8177.8-58.5-175.8-2300109.7E73 V81 S83 Q94 E102 T103E73-Q96 VanDerWaalsContact CD-NE2 3.25Å; E73-Q96 PolarHBondContact OE1-NE2 2.85Å; E73-Q96 PolarHBondContact OE2-NE2 2.82Å; E73-Q96 VanDerWaalsContact OE2-NE2 3.09Å; V81-Q96 HydrophobicContact CB-CB 4.27Å; V81-Q96 HydrophobicContact CG2-CB 3.99Å; V81-Q96 HydrophobicContact CG2-CG 4.15Å; S83-Q96 WeakPolarHBondContact OG-CG 3.42Å; Q94-Q96 HydrophobicContact CG-CG 4.28Å; Q96-E102 WeakPolarHBondContact O-CA 3.37Å; Q96-T103 HydrophobicContact CB-CG2 3.89Å; Q96-T103 HydrophobicContact CG-CG2 4.35Å; Q96-T103 PolarHBondContact N-O 3.19Å; Q96-T103 PolarHBondContact O-N 3Å
97K98.6Very high97.3Very high108 Ų10856.3 Ų56.347%0.4730%0.302SS..EExtended strand (participates in β ladder)trans-123.5134.4-179.8-68.8178.8170.1-177.30112V81 K82 V95 K101 E102V81-K97 WeakPolarHBondContact CA-O 3.27Å; K82-K97 PolarHBondContact N-O 2.82Å; K82-K97 PolarHBondContact O-N 2.94Å; V95-K97 HydrophobicContact CG1-CG 4.34Å; K97-K101 WeakPolarHBondContact CA-O 3.38Å; K97-E102 WeakPolarHBondContact CE-OE2 3.44Å; K97-E102 HydrophobicContact CG-CB 4.4Å; K97-E102 HydrophobicContact CG-CG 4.12Å; K97-E102 IonicContact NZ-OE2 3.53Å; K97-E102 PolarHBondContact NZ-OE2 3.44Å
98W98.3Very high97.4Very high24 Ų2456.9 Ų56.99%0.09130%0.299CS..EExtended strand (participates in β ladder)trans-156.9138.4174.970.5107.7000111L24 R79 V81 G100 K101 T103 M120L24-W98 HydrophobicContact CD2-CH2 3.65Å; L24-W98 HydrophobicContact CD2-CZ2 3.98Å; R79-W98 VanDerWaalsContact NH1-CH2 3.3Å; V81-W98 HydrophobicContact CB-CB 4.4Å; V81-W98 HydrophobicContact CG1-CB 3.96Å; V81-W98 HydrophobicContact CG1-CD2 4.12Å; V81-W98 HydrophobicContact CG1-CE3 3.94Å; V81-W98 HydrophobicContact CG1-CG 4.14Å; W98-G100 PolarHBondContact O-N 3.23Å; W98-K101 HydrophobicContact CD2-CB 4.11Å; W98-K101 HydrophobicContact CE3-CB 4.4Å; W98-K101 HydrophobicContact CH2-CB 4.17Å; W98-K101 HydrophobicContact CZ2-CB 3.91Å; W98-K101 HydrophobicContact CZ2-CD 4.04Å; W98-K101 HydrophobicContact CZ3-CB 4.39Å; W98-K101 PolarHBondContact N-O 2.94Å; W98-K101 WeakPolarHBondContact O-CA 3.43Å; W98-K101 WeakPolarHBondContact O-CB 3.49Å; W98-K101 PolarHBondContact O-N 2.96Å; W98-T103 HydrophobicContact CH2-CG2 3.99Å; W98-T103 HydrophobicContact CZ3-CG2 3.77Å; W98-M120 HydrophobicContact CH2-CE 4.02Å; W98-M120 HydrophobicContact CH2-SD 3.87Å; W98-M120 HydrophobicContact CZ2-CE 3.96Å; W98-M120 HydrophobicContact CZ2-SD 4.23Å
99N96.3Very high97.6Very high157 Ų15755.2 Ų55.284%0.8429%0.293SS*.THydrogen-bonded Turntrans47.241.4173-58-16.3000114.1K101N99-K101 PolarHBondContact O-N 2.89Å
100G96.4Very high97.8Very high95 Ų9547.7 Ų47.798%0.97927%0.265SS*.THydrogen-bonded Turntrans732-177.100000115.8W98W98-G100 PolarHBondContact O-N 3.23Å
101K97.6Very high97.9Very high91 Ų9153.3 Ų53.340%0.39629%0.285SS..EExtended strand (participates in β ladder)trans-97156.2174.2-58.7179.3180-1770111K97 W98 N99 M120K97-K101 WeakPolarHBondContact CA-O 3.38Å; W98-K101 HydrophobicContact CD2-CB 4.11Å; W98-K101 HydrophobicContact CE3-CB 4.4Å; W98-K101 HydrophobicContact CH2-CB 4.17Å; W98-K101 HydrophobicContact CZ2-CB 3.91Å; W98-K101 HydrophobicContact CZ2-CD 4.04Å; W98-K101 HydrophobicContact CZ3-CB 4.39Å; W98-K101 PolarHBondContact N-O 2.94Å; W98-K101 WeakPolarHBondContact O-CA 3.43Å; W98-K101 WeakPolarHBondContact O-CB 3.49Å; W98-K101 PolarHBondContact O-N 2.96Å; N99-K101 PolarHBondContact O-N 2.89Å; K101-M120 HydrophobicContact CB-CE 4.35Å; K101-M120 HydrophobicContact CD-CE 4.04Å
102E98.1Very high97.8Very high92 Ų9255.4 Ų55.443%0.4331%0.309SS..EExtended strand (participates in β ladder)trans-138.8141.4177.1-172.7179.2119.900110.1V95 Q96 K97V95-E102 HydrophobicContact CG1-CG 3.72Å; Q96-E102 WeakPolarHBondContact O-CA 3.37Å; K97-E102 WeakPolarHBondContact CE-OE2 3.44Å; K97-E102 HydrophobicContact CG-CB 4.4Å; K97-E102 HydrophobicContact CG-CG 4.12Å; K97-E102 IonicContact NZ-OE2 3.53Å; K97-E102 PolarHBondContact NZ-OE2 3.44Å
103T98.7Very high97.8Very high1 Ų159.3 Ų59.31%0.00633%0.326CS..EExtended strand (participates in β ladder)trans-133154.6164-171.60000109.5Y20 L24 Q96 W98 A119Y20-T103 WeakPolarHBondContact CE2-OG1 3.46Å; Y20-T103 PolarHBondContact OH-OG1 2.94Å; L24-T103 HydrophobicContact CD2-CG2 4.16Å; Q96-T103 HydrophobicContact CB-CG2 3.89Å; Q96-T103 HydrophobicContact CG-CG2 4.35Å; Q96-T103 PolarHBondContact N-O 3.19Å; Q96-T103 PolarHBondContact O-N 3Å; W98-T103 HydrophobicContact CH2-CG2 3.99Å; W98-T103 HydrophobicContact CZ3-CG2 3.77Å; T103-A119 WeakPolarHBondContact CA-O 3.4Å; T103-A119 PolarHBondContact OG1-O 2.8Å
104T98.6Very high97.8Very high36 Ų3658.6 Ų58.622%0.22132%0.322CS..EExtended strand (participates in β ladder)trans-119.9144.6176.563.30000111L93 Q94 V95 C118 A119L93-T104 HydrophobicContact CD1-CG2 4.43Å; Q94-T104 CarbonylContact O-C 3.58Å; Q94-T104 WeakPolarHBondContact O-CA 3.5Å; V95-T104 HydrophobicContact CG2-CG2 4.27Å; T104-C118 CarbonylContact O-C 3.59Å; T104-C118 VanDerWaalsContact O-CA 3.3Å; T104-C118 WeakPolarHBondContact O-CA 3.27Å; T104-A119 PolarHBondContact N-O 3.34Å; T104-A119 PolarHBondContact O-N 2.84Å
105I98.8Very high97.8Very high21 Ų2159.2 Ų59.211%0.10833%0.326CS..EExtended strand (participates in β ladder)trans-128.2109172.2-54.7166.5000107.4Q94 V116 E117Q94-I105 HydrophobicContact CB-CB 4.23Å; Q94-I105 PolarHBondContact N-O 2.75Å; Q94-I105 PolarHBondContact O-N 2.96Å; I105-V116 HydrophobicContact CG2-CG1 3.65Å; I105-E117 CarbonylContact C-O 3.55Å; I105-E117 WeakPolarHBondContact CA-O 3.43Å
106R98.6Very high97.8Very high76 Ų7658.6 Ų58.629%0.28732%0.322SS..EExtended strand (participates in β ladder)trans-105.1122.3-178.9-176179.2-68.6-100.7-5.9109.9E88 L92 L93 V116 E117E88-R106 IonicContact OE2-NH2 2.83Å; L92-R106 CarbonylContact O-C 3.56Å; L92-R106 WeakPolarHBondContact O-CA 3.36Å; L93-R106 HydrophobicContact CD1-CB 4.21Å; R106-V116 CarbonylContact O-C 3.55Å; R106-V116 VanDerWaalsContact O-CA 3.31Å; R106-V116 WeakPolarHBondContact O-CA 3.35Å; R106-E117 PolarHBondContact N-O 2.7Å; R106-E117 PolarHBondContact O-N 3.5Å
107R98.6Very high97.8Very high20 Ų2060.6 Ų60.68%0.07533%0.331CS..EExtended strand (participates in β ladder)trans-108.1124.1175.2-52.3179.3175.576.7-3.2109.3F5 S91 L92 M114 V115 V116F5-R107 HydrophobicContact CD1-CB 4.46Å; F5-R107 HydrophobicContact CE1-CB 4Å; F5-R107 WeakPolarHBondContact CE1-O 3.48Å; F5-R107 WeakPolarHBondContact CZ-O 3.29Å; S91-R107 CarbonylContact C-O 3.59Å; S91-R107 VanDerWaalsContact CA-O 3.29Å; S91-R107 WeakPolarHBondContact CA-O 3.33Å; S91-R107 WeakPolarHBondContact CB-O 3.34Å; L92-R107 HydrophobicContact CB-CB 4.29Å; L92-R107 PolarHBondContact N-O 2.95Å; L92-R107 PolarHBondContact O-N 2.79Å; R107-M114 HydrophobicContact CB-CG 4.44Å; R107-M114 HydrophobicContact CB-SD 4.33Å; R107-V115 WeakPolarHBondContact CA-O 3.47Å; R107-V116 HydrophobicContact CG-CG1 4.23Å; R107-V116 HydrophobicContact CG-CG2 4.08Å
108R97.7Very high97.8Very high79 Ų7955.9 Ų55.930%0.29831%0.312SS..EExtended strand (participates in β ladder)trans-131.3150.617762.3178.9-176.6-126.6-3.8110.7V110 M114 V115 E117R108-V110 HydrophobicContact CG-CG2 4.04Å; R108-M114 WeakPolarHBondContact O-CA 3.49Å; R108-V115 HydrophobicContact CG-CB 3.91Å; R108-V115 PolarHBondContact N-O 2.81Å; R108-V115 PolarHBondContact O-N 2.84Å; R108-E117 IonicContact CZ-OE1 2.84Å; R108-E117 VanDerWaalsContact CZ-OE1 3.22Å; R108-E117 IonicContact CZ-OE2 3.49Å; R108-E117 IonicContact NH1-OE1 2.7Å; R108-E117 PolarHBondContact NH1-OE1 3.25Å; R108-E117 IonicContact NH1-OE2 3.49Å; R108-E117 PolarHBondContact NH1-OE2 3.42Å; R108-E117 IonicContact NH2-OE1 3.29Å; R108-E117 PolarHBondContact NH2-OE1 3.25Å; R108-E117 IonicContact NH2-OE2 2.71Å
109L97.9Very high97.8Very high43 Ų4356.1 Ų56.123%0.22532%0.319CS..EExtended strand (participates in β ladder)trans-97.8123173.5-60.6-177.8000109.4R4 F5 W9 K113 M114R4-L109 HydrophobicContact CB-CD1 3.76Å; R4-L109 WeakPolarHBondContact O-CD1 3.17Å; F5-L109 HydrophobicContact CD1-CD2 3.88Å; F5-L109 HydrophobicContact CD1-CG 4.04Å; F5-L109 HydrophobicContact CE1-CD1 4.5Å; F5-L109 HydrophobicContact CE1-CD2 3.84Å; F5-L109 HydrophobicContact CE1-CG 3.7Å; F5-L109 HydrophobicContact CZ-CG 4.06Å; W9-L109 HydrophobicContact CH2-CD2 3.43Å; W9-L109 VanDerWaalsContact CH2-CD2 3.43Å; W9-L109 HydrophobicContact CZ2-CD2 3.71Å; W9-L109 HydrophobicContact CZ3-CD2 4.28Å; L109-K113 VanDerWaalsContact CA-O 3.31Å; L109-K113 WeakPolarHBondContact CA-O 3.48Å; L109-M114 HydrophobicContact CD2-CB 3.93Å; L109-M114 HydrophobicContact CD2-CG 4.35Å
110V96.9Very high97.9Very high59 Ų5948.8 Ų48.836%0.35828%0.279SS..EExtended strand (participates in β ladder)trans-133120.5178.3-175.90000106.8R108 G112 K113 V115R108-V110 HydrophobicContact CG-CG2 4.04Å; V110-G112 VanDerWaalsContact C-N 3.26Å; V110-G112 PolarHBondContact O-N 3.39Å; V110-G112 VanDerWaalsContact O-N 3.14Å; V110-K113 PolarHBondContact N-O 2.81Å; V110-K113 PolarHBondContact O-N 3.43Å; V110-V115 HydrophobicContact CB-CG2 4.11Å; V110-V115 HydrophobicContact CG2-CG2 4.1Å
111D95.3Very high97.8Very high159 Ų15951.3 Ų51.385%0.8526%0.264SS*.THydrogen-bonded Turntrans48.744.2177.3-52.3-35.1000114.2K113D111-K113 PolarHBondContact O-N 2.79Å
112G95.1Very high97.6Very high59 Ų5950.6 Ų50.661%0.60828%0.282SS*.THydrogen-bonded Turntrans79-6.4179.600000115.4V110V110-G112 VanDerWaalsContact C-N 3.26Å; V110-G112 PolarHBondContact O-N 3.39Å; V110-G112 VanDerWaalsContact O-N 3.14Å
113K98.1Very high97.6Very high82 Ų8247.8 Ų47.836%0.35727%0.271SS..EExtended strand (participates in β ladder)trans-98.1151.6176.5-54.2-165.7-171.8-160.20111.4L109 V110 D111 I128 Y129 E130L109-K113 VanDerWaalsContact CA-O 3.31Å; L109-K113 WeakPolarHBondContact CA-O 3.48Å; V110-K113 PolarHBondContact N-O 2.81Å; V110-K113 PolarHBondContact O-N 3.43Å; D111-K113 PolarHBondContact O-N 2.79Å; K113-I128 HydrophobicContact CB-CG2 4.07Å; K113-I128 HydrophobicContact CD-CG2 3.76Å; K113-Y129 WeakPolarHBondContact CA-O 3.35Å; K113-Y129 WeakPolarHBondContact CB-O 3.44Å; K113-E130 HydrophobicContact CD-CG 4.03Å; K113-E130 WeakPolarHBondContact CE-OE1 3.41Å; K113-E130 HydrophobicContact CG-CG 4.24Å; K113-E130 IonicContact NZ-OE1 2.98Å; K113-E130 PolarHBondContact NZ-OE1 2.85Å
114M98.6Very high97.6Very high0 Ų051 Ų510%029%0.29CS..EExtended strand (participates in β ladder)trans-93.8112.2169.4-179.6175.366.700109.3F5 W9 V41 I43 R107 R108 L109 V116 Y129F5-M114 HydrophobicContact CD1-SD 4.2Å; W9-M114 HydrophobicContact CB-CE 3.68Å; W9-M114 HydrophobicContact CD2-CB 3.83Å; W9-M114 HydrophobicContact CD2-CE 4.1Å; W9-M114 HydrophobicContact CD2-SD 4.33Å; W9-M114 HydrophobicContact CE3-CB 3.56Å; W9-M114 HydrophobicContact CG-CE 3.62Å; W9-M114 HydrophobicContact CG-SD 4.3Å; W9-M114 HydrophobicContact CH2-CB 4.05Å; W9-M114 HydrophobicContact CZ2-CB 4.26Å; W9-M114 HydrophobicContact CZ3-CB 3.7Å; V41-M114 HydrophobicContact CB-CE 4.12Å; V41-M114 HydrophobicContact CG1-CE 4.04Å; I43-M114 HydrophobicContact CD1-SD 4.06Å; R107-M114 HydrophobicContact CB-CG 4.44Å; R107-M114 HydrophobicContact CB-SD 4.33Å; R108-M114 WeakPolarHBondContact O-CA 3.49Å; L109-M114 HydrophobicContact CD2-CB 3.93Å; L109-M114 HydrophobicContact CD2-CG 4.35Å; M114-V116 HydrophobicContact CE-CG2 4.17Å; M114-V116 HydrophobicContact CG-CG2 4.03Å; M114-V116 HydrophobicContact SD-CG2 4.42Å; M114-Y129 HydrophobicContact CE-CD1 4.42Å; M114-Y129 HydrophobicContact CE-CD2 4.08Å; M114-Y129 HydrophobicContact CE-CG 3.94Å; M114-Y129 PolarHBondContact N-O 2.84Å; M114-Y129 PolarHBondContact O-N 2.94Å
115V98.5Very high97.6Very high15 Ų1549.2 Ų49.29%0.09128%0.28CS..EExtended strand (participates in β ladder)trans-94.6123.8173.7-176.80000108.2R107 R108 V110 T126R107-V115 WeakPolarHBondContact CA-O 3.47Å; R108-V115 HydrophobicContact CG-CB 3.91Å; R108-V115 PolarHBondContact N-O 2.81Å; R108-V115 PolarHBondContact O-N 2.84Å; V110-V115 HydrophobicContact CB-CG2 4.11Å; V110-V115 HydrophobicContact CG2-CG2 4.1Å; V115-T126 HydrophobicContact CG1-CG2 3.89Å
116V98.7Very high97.6Very high8 Ų849.9 Ų49.95%0.04829%0.285CS..EExtended strand (participates in β ladder)trans-114.4116.9-179.6-174.20000108.6I105 R106 R107 M114 T126 R127 Y129I105-V116 HydrophobicContact CG2-CG1 3.65Å; R106-V116 CarbonylContact O-C 3.55Å; R106-V116 VanDerWaalsContact O-CA 3.31Å; R106-V116 WeakPolarHBondContact O-CA 3.35Å; R107-V116 HydrophobicContact CG-CG1 4.23Å; R107-V116 HydrophobicContact CG-CG2 4.08Å; M114-V116 HydrophobicContact CE-CG2 4.17Å; M114-V116 HydrophobicContact CG-CG2 4.03Å; M114-V116 HydrophobicContact SD-CG2 4.42Å; V116-T126 CarbonylContact O-C 3.48Å; V116-T126 WeakPolarHBondContact O-CA 3.27Å; V116-R127 HydrophobicContact CB-CB 4.35Å; V116-R127 PolarHBondContact N-O 2.76Å; V116-R127 PolarHBondContact O-N 3.07Å; V116-Y129 HydrophobicContact CB-CE2 4.21Å; V116-Y129 HydrophobicContact CG2-CD2 3.77Å; V116-Y129 HydrophobicContact CG2-CE2 3.67Å
117E98.6Very high97.6Very high48 Ų4846.7 Ų46.722%0.22427%0.273CS..EExtended strand (participates in β ladder)trans-106.6123.8174.2-71.3174.5156.400109.6I105 R106 R108 C125I105-E117 CarbonylContact C-O 3.55Å; I105-E117 WeakPolarHBondContact CA-O 3.43Å; R106-E117 PolarHBondContact N-O 2.7Å; R106-E117 PolarHBondContact O-N 3.5Å; R108-E117 IonicContact CZ-OE1 2.84Å; R108-E117 VanDerWaalsContact CZ-OE1 3.22Å; R108-E117 IonicContact CZ-OE2 3.49Å; R108-E117 IonicContact NH1-OE1 2.7Å; R108-E117 PolarHBondContact NH1-OE1 3.25Å; R108-E117 IonicContact NH1-OE2 3.49Å; R108-E117 PolarHBondContact NH1-OE2 3.42Å; R108-E117 IonicContact NH2-OE1 3.29Å; R108-E117 PolarHBondContact NH2-OE1 3.25Å; R108-E117 IonicContact NH2-OE2 2.71Å; E117-C125 CarbonylContact C-O 3.55Å; E117-C125 VanDerWaalsContact CA-O 3.29Å; E117-C125 WeakPolarHBondContact CA-O 3.3Å
118C98.5Very high97.6Very high9 Ų947.9 Ų47.96%0.06128%0.28CS..EExtended strand (participates in β ladder)trans-108.5129.7174.4-56.60000108.7Y20 T104 V124 C125Y20-C118 HydrophobicContact CD1-CB 3.98Å; Y20-C118 HydrophobicContact CD2-CB 3.99Å; Y20-C118 HydrophobicContact CE1-CB 3.68Å; Y20-C118 HydrophobicContact CE2-CB 3.71Å; Y20-C118 HydrophobicContact CG-CB 4.12Å; T104-C118 CarbonylContact O-C 3.59Å; T104-C118 VanDerWaalsContact O-CA 3.3Å; T104-C118 WeakPolarHBondContact O-CA 3.27Å; C118-V124 CarbonylContact O-C 3.51Å; C118-V124 WeakPolarHBondContact O-CA 3.39Å; C118-C125 HydrophobicContact CB-CB 4.34Å; C118-C125 PolarHBondContact N-O 3.49Å; C118-C125 PolarHBondContact O-N 3.43Å
119A98.4Very high97.7Very high28 Ų2844.8 Ų44.823%0.23127%0.268CS..EExtended strand (participates in β ladder)trans-138.1129.7-176.400000113.2T103 T104 V123 V124T103-A119 WeakPolarHBondContact CA-O 3.4Å; T103-A119 PolarHBondContact OG1-O 2.8Å; T104-A119 PolarHBondContact N-O 3.34Å; T104-A119 PolarHBondContact O-N 2.84Å; A119-V123 VanDerWaalsContact CA-O 3.3Å; A119-V123 WeakPolarHBondContact CA-O 3.15Å; A119-V124 HydrophobicContact CB-CG2 4.13Å
120M97.9Very high97.7Very high3 Ų346.6 Ų46.62%0.01528%0.275CS..EExtended strand (participates in β ladder)trans-142.8125.2173.7-177.2171.6173.700109.8Y20 E23 L24 W98 K101 G122 V123Y20-M120 HydrophobicContact CD2-CB 4.4Å; Y20-M120 HydrophobicContact CE2-CB 4Å; E23-M120 HydrophobicContact CG-CB 4.31Å; E23-M120 HydrophobicContact CG-CG 3.97Å; E23-M120 HydrophobicContact CG-SD 4.22Å; L24-M120 HydrophobicContact CD2-SD 3.44Å; L24-M120 WeakPolarHBondContact CD2-SD 3.45Å; L24-M120 HydrophobicContact CG-SD 4.06Å; W98-M120 HydrophobicContact CH2-CE 4.02Å; W98-M120 HydrophobicContact CH2-SD 3.87Å; W98-M120 HydrophobicContact CZ2-CE 3.96Å; W98-M120 HydrophobicContact CZ2-SD 4.23Å; K101-M120 HydrophobicContact CB-CE 4.35Å; K101-M120 HydrophobicContact CD-CE 4.04Å; M120-G122 PolarHBondContact O-N 3.39Å; M120-G122 VanDerWaalsContact O-N 3.12Å; M120-V123 PolarHBondContact N-O 3.33Å; M120-V123 WeakPolarHBondContact O-CB 3.45Å; M120-V123 PolarHBondContact O-N 3.23Å
121K95.3Very high97.7Very high149 Ų14949.7 Ų49.765%0.64828%0.281SS*.THydrogen-bonded Turntrans46.741.9176.5-67165.1164.8-171.20114.8E23 V123E23-K121 HydrophobicContact CG-CB 4.38Å; E23-K121 HydrophobicContact CG-CD 4.24Å; E23-K121 WeakPolarHBondContact OE1-CD 3.36Å; E23-K121 IonicContact OE1-NZ 3.88Å; E23-K121 PolarHBondContact OE1-NZ 3.44Å; K121-V123 VanDerWaalsContact C-N 3.28Å; K121-V123 PolarHBondContact O-N 2.84Å
122G93.9Very high97.6Very high75 Ų7548.2 Ų48.277%0.77328%0.277SS*.THydrogen-bonded Turntrans84.5-11.8179.200000115.1M120M120-G122 PolarHBondContact O-N 3.39Å; M120-G122 VanDerWaalsContact O-N 3.12Å
123V98.1Very high97.7Very high34 Ų3447.7 Ų47.721%0.20626%0.261CS..EExtended strand (participates in β ladder)trans-78.4123.5168.6-1780000108.7D19 E23 A119 M120 K121D19-V123 HydrophobicContact CB-CG1 4.03Å; E23-V123 HydrophobicContact CB-CB 4.41Å; E23-V123 HydrophobicContact CB-CG2 4.16Å; E23-V123 HydrophobicContact CG-CG2 4.22Å; A119-V123 VanDerWaalsContact CA-O 3.3Å; A119-V123 WeakPolarHBondContact CA-O 3.15Å; M120-V123 PolarHBondContact N-O 3.33Å; M120-V123 WeakPolarHBondContact O-CB 3.45Å; M120-V123 PolarHBondContact O-N 3.23Å; K121-V123 VanDerWaalsContact C-N 3.28Å; K121-V123 PolarHBondContact O-N 2.84Å
124V98.4Very high97.7Very high67 Ų6745.8 Ų45.841%0.40626%0.255SS..EExtended strand (participates in β ladder)trans-120.1130.3179.7-177.60000109.8N16 C118 A119N16-V124 WeakPolarHBondContact CB-O 3.05Å; N16-V124 PolarHBondContact ND2-O 3.05Å; C118-V124 CarbonylContact O-C 3.51Å; C118-V124 WeakPolarHBondContact O-CA 3.39Å; A119-V124 HydrophobicContact CB-CG2 4.13Å
125C98.3Very high97.7Very high0 Ų048.4 Ų48.40%027%0.27CS..EExtended strand (participates in β ladder)trans-113.6140.5170.11620000109.5E15 F17 Y20 E117 C118E15-C125 WeakPolarHBondContact O-CA 3.33Å; E15-C125 PolarHBondContact O-SG 2.9Å; F17-C125 VanDerWaalsContact CA-SG 3.58Å; F17-C125 HydrophobicContact CD2-CB 4.48Å; F17-C125 VanDerWaalsContact CD2-SG 3.57Å; Y20-C125 HydrophobicContact CG-CB 4.13Å; E117-C125 CarbonylContact C-O 3.55Å; E117-C125 VanDerWaalsContact CA-O 3.29Å; E117-C125 WeakPolarHBondContact CA-O 3.3Å; C118-C125 HydrophobicContact CB-CB 4.34Å; C118-C125 PolarHBondContact N-O 3.49Å; C118-C125 PolarHBondContact O-N 3.43Å
126T98.6Very high97.6Very high35 Ų3550.4 Ų50.422%0.21528%0.28CS..EExtended strand (participates in β ladder)trans-118129.7174.1-57.50000109.8E15 V115 V116E15-T126 PolarHBondContact N-O 3.35Å; E15-T126 PolarHBondContact O-N 3.12Å; E15-T126 VanDerWaalsContact O-N 3.15Å; V115-T126 HydrophobicContact CG1-CG2 3.89Å; V116-T126 CarbonylContact O-C 3.48Å; V116-T126 WeakPolarHBondContact O-CA 3.27Å
127R98.6Very high97.6Very high9 Ų953 Ų533%0.03430%0.295CS..EExtended strand (participates in β ladder)trans-125.7133.3174.9-63.7179.470.697.3-12.7109.6L11 S13 S14 V116 Y129L11-R127 HydrophobicContact CD1-CB 3.87Å; L11-R127 HydrophobicContact CD1-CG 4.34Å; S13-R127 CarbonylContact O-C 3.6Å; S13-R127 WeakPolarHBondContact O-CA 3.37Å; S14-R127 PolarHBondContact OG-NH1 3.07Å; V116-R127 HydrophobicContact CB-CB 4.35Å; V116-R127 PolarHBondContact N-O 2.76Å; V116-R127 PolarHBondContact O-N 3.07Å; R127-Y129 HydrophobicContact CB-CD2 4.46Å; R127-Y129 HydrophobicContact CB-CE2 3.69Å; R127-Y129 PolarHBondContact NE-OH 3.01Å
128I98.6Very high97.5Very high45 Ų4553.3 Ų53.323%0.23130%0.299CS..EExtended strand (participates in β ladder)trans-112.5132.1-178.5-54.4178000108.5V12 S13 K113V12-I128 HydrophobicContact CG2-CB 4.14Å; V12-I128 HydrophobicContact CG2-CG2 3.88Å; V12-I128 WeakPolarHBondContact CG2-O 3.23Å; V12-I128 PolarHBondContact N-O 2.84Å; S13-I128 PolarHBondContact N-O 2.63Å; S13-I128 PolarHBondContact O-N 3.12Å; K113-I128 HydrophobicContact CB-CG2 4.07Å; K113-I128 HydrophobicContact CD-CG2 3.76Å
129Y98.7Very high97.4Very high13 Ų1356.5 Ų56.55%0.05132%0.316CS..EExtended strand (participates in β ladder)trans-123142.4177.2-60-110.3000111.4W9 K10 L11 P39 V41 K113 M114 V116 R127W9-Y129 HydrophobicContact CB-CD1 4.27Å; W9-Y129 HydrophobicContact CB-CG 4.39Å; K10-Y129 CarbonylContact O-C 3.56Å; K10-Y129 WeakPolarHBondContact O-CA 3.39Å; K10-Y129 WeakPolarHBondContact O-CB 3.27Å; L11-Y129 HydrophobicContact CB-CD1 4.01Å; L11-Y129 HydrophobicContact CB-CE1 3.75Å; L11-Y129 HydrophobicContact CD1-CD1 4.32Å; L11-Y129 HydrophobicContact CD1-CD2 4.18Å; L11-Y129 HydrophobicContact CD1-CE1 3.82Å; L11-Y129 HydrophobicContact CD1-CE2 3.67Å; L11-Y129 HydrophobicContact CD1-CG 4.46Å; L11-Y129 VanDerWaalsContact CD1-CZ 3.45Å; L11-Y129 HydrophobicContact CG-CE1 4.44Å; L11-Y129 VanDerWaalsContact N-CD1 3.34Å; P39-Y129 WeakPolarHBondContact O-CE1 3.49Å; V41-Y129 HydrophobicContact CB-CE1 4.42Å; V41-Y129 HydrophobicContact CG2-CD1 4.16Å; V41-Y129 HydrophobicContact CG2-CE1 3.59Å; K113-Y129 WeakPolarHBondContact CA-O 3.35Å; K113-Y129 WeakPolarHBondContact CB-O 3.44Å; M114-Y129 HydrophobicContact CE-CD1 4.42Å; M114-Y129 HydrophobicContact CE-CD2 4.08Å; M114-Y129 HydrophobicContact CE-CG 3.94Å; M114-Y129 PolarHBondContact N-O 2.84Å; M114-Y129 PolarHBondContact O-N 2.94Å; V116-Y129 HydrophobicContact CB-CE2 4.21Å; V116-Y129 HydrophobicContact CG2-CD2 3.77Å; V116-Y129 HydrophobicContact CG2-CE2 3.67Å; R127-Y129 HydrophobicContact CB-CD2 4.46Å; R127-Y129 HydrophobicContact CB-CE2 3.69Å; R127-Y129 PolarHBondContact NE-OH 3.01Å
130E98.3Very high97.3Very high81 Ų8158.7 Ų58.738%0.37932%0.323SS..EExtended strand (participates in β ladder)trans-105144.4174-73.9179177.900110.6W9 K10 V12 K113W9-E130 CarbonylContact C-O 3.55Å; W9-E130 VanDerWaalsContact CA-O 3.27Å; W9-E130 WeakPolarHBondContact CA-O 3.35Å; K10-E130 PolarHBondContact N-O 3.04Å; K10-E130 PolarHBondContact O-N 3.01Å; V12-E130 HydrophobicContact CB-CG 4.48Å; V12-E130 HydrophobicContact CG1-CB 3.99Å; V12-E130 HydrophobicContact CG1-CG 3.83Å; V12-E130 HydrophobicContact CG2-CG 3.88Å; K113-E130 HydrophobicContact CD-CG 4.03Å; K113-E130 WeakPolarHBondContact CE-OE1 3.41Å; K113-E130 HydrophobicContact CG-CG 4.24Å; K113-E130 IonicContact NZ-OE1 2.98Å; K113-E130 PolarHBondContact NZ-OE1 2.85Å
131R97.4Very high97.3Very high125 Ų12563.3 Ų63.347%0.47235%0.349SS..EExtended strand (participates in β ladder)trans-72140.4178-173.8173.8-69.2-136.6-2.4109.9R4 V6 T8 W9R4-R131 PolarHBondContact O-NH2 3.04Å; V6-R131 PolarHBondContact O-NH1 3.22Å; T8-R131 WeakPolarHBondContact O-CA 3.37Å; W9-R131 HydrophobicContact CE3-CB 3.95Å; W9-R131 HydrophobicContact CH2-CB 4.3Å; W9-R131 HydrophobicContact CZ3-CB 3.78Å
132V93.5Very high97.5Very high127 Ų12755.5 Ų55.577%0.7732%0.321SS*.  trans-91.30170.1-171.20000110.3T8 K10T8-V132 HydrophobicContact CG2-CB 4.17Å; T8-V132 HydrophobicContact CG2-CG2 3.84Å; T8-V132 PolarHBondContact O-N 3.23Å; K10-V132 HydrophobicContact CB-CG2 4.33Å; K10-V132 HydrophobicContact CD-CG2 3.59Å; K10-V132 HydrophobicContact CG-CG2 3.45Å; K10-V132 VanDerWaalsContact CG-CG2 3.45Å

Retrieved 132 of 132 residues in 28.3 ms (Link to these results)

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