A0A087XAP0_POEFO Loading...

Pyrroline-5-carboxylate reductase

AlphaFold DB , UniProt , Accession A0A087XAP0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 326 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M90.6Very high95.8Very high74 Ų7428.5 Ų28.537%0.36516%0.163SC..  0109.80-165172.162.900111.2I27 R31 D66 V67 L150M1-I27 HydrophobicContact CE-CD1 3.76Å; M1-I27 HydrophobicContact CE-CG1 4.14Å; M1-R31 VanDerWaalsContact C-NH2 3.31Å; M1-R31 VanDerWaalsContact N-NH2 3.17Å; M1-R31 PolarHBondContact O-NE 3.08Å; M1-R31 PolarHBondContact O-NH2 2.6Å; M1-R31 VanDerWaalsContact O-NH2 3.1Å; M1-D66 VanDerWaalsContact C-OD2 3.27Å; M1-D66 WeakPolarHBondContact CA-OD2 3.43Å; M1-D66 HydrophobicContact CG-CB 4.46Å; M1-D66 PolarHBondContact N-OD2 2.8Å; M1-V67 HydrophobicContact CG-CG2 4.28Å; M1-V67 HydrophobicContact SD-CG2 3.94Å; M1-L150 HydrophobicContact CE-CD1 4.42Å; M1-L150 HydrophobicContact SD-CD1 3.73Å; M1-L150 HydrophobicContact SD-CD2 4.07Å; M1-L150 HydrophobicContact SD-CG 4.19Å
2S96.6Very high95.8Very high28 Ų2826.2 Ų26.220%0.19615%0.15CC..  trans-108.7147.3166.6-59.50000109.2R31 R64 D66 V67S2-R31 WeakPolarHBondContact CA-O 3.31Å; S2-R31 PolarHBondContact OG-NH2 3.03Å; S2-R64 WeakPolarHBondContact CB-O 3.5Å; S2-D66 PolarHBondContact N-OD2 3.11Å; S2-D66 PolarHBondContact O-N 2.84Å; S2-V67 PolarHBondContact O-N 3.46Å
3V98Very high95.8Very high0 Ų027.2 Ų27.20%015%0.152CC..EExtended strand (participates in β ladder)trans-120.1132.3-174.9171.20000111.5F5 I27 R31 I32 T33 V67 F69V3-F5 HydrophobicContact CG1-CD2 4.15Å; V3-F5 HydrophobicContact CG1-CE2 3.54Å; V3-F5 HydrophobicContact CG1-CZ 4.03Å; V3-I27 HydrophobicContact CB-CD1 3.97Å; V3-I27 HydrophobicContact CG2-CD1 3.16Å; V3-R31 PolarHBondContact N-O 2.92Å; V3-I32 CarbonylContact O-C 3.5Å; V3-I32 VanDerWaalsContact O-CA 3.25Å; V3-I32 WeakPolarHBondContact O-CA 3.25Å; V3-T33 PolarHBondContact O-N 2.98Å; V3-V67 WeakPolarHBondContact CA-O 3.43Å; V3-V67 HydrophobicContact CG2-CB 4.23Å; V3-F69 HydrophobicContact CG1-CD2 3.68Å; V3-F69 HydrophobicContact CG1-CE2 3.76Å
4G98.3Very high95.6Very high0 Ų025.6 Ų25.60%014%0.144CC..EExtended strand (participates in β ladder)trans-107.8144.1178.100000111.8T33 S65 V67 F69G4-T33 CarbonylContact C-O 3.2Å; G4-T33 VanDerWaalsContact CA-O 3.27Å; G4-T33 WeakPolarHBondContact CA-O 3.5Å; G4-S65 WeakPolarHBondContact CA-OG 3.15Å; G4-S65 PolarHBondContact N-OG 2.95Å; G4-S65 VanDerWaalsContact N-OG 3.08Å; G4-V67 PolarHBondContact N-O 3.33Å; G4-F69 PolarHBondContact O-N 3.12Å
5F98.5Very high95.6Very high0 Ų023.9 Ų23.90%013%0.134CC..EExtended strand (participates in β ladder)trans-124.3114.7167.3-68.7-91.1000109.5V3 G7 A12 L15 V16 F19 I32 T33 A34 S35 F69 A71V3-F5 HydrophobicContact CG1-CD2 4.15Å; V3-F5 HydrophobicContact CG1-CE2 3.54Å; V3-F5 HydrophobicContact CG1-CZ 4.03Å; F5-G7 PolarHBondContact O-N 2.82Å; F5-A12 HydrophobicContact CB-CB 4.23Å; F5-A12 HydrophobicContact CD1-CB 3.82Å; F5-A12 HydrophobicContact CE1-CB 4.5Å; F5-A12 HydrophobicContact CG-CB 4.15Å; F5-L15 HydrophobicContact CE1-CB 3.94Å; F5-L15 HydrophobicContact CE1-CD1 3.85Å; F5-L15 HydrophobicContact CZ-CB 3.95Å; F5-V16 HydrophobicContact CD2-CG2 3.81Å; F5-V16 HydrophobicContact CE2-CG2 3.37Å; F5-V16 HydrophobicContact CZ-CG2 3.83Å; F5-F19 HydrophobicContact CZ-CD2 4.3Å; F5-F19 AromaticContact CZ-CE2 3.95Å; F5-F19 HydrophobicContact CZ-CE2 3.95Å; F5-I32 HydrophobicContact CD2-CG2 3.74Å; F5-I32 HydrophobicContact CE2-CG2 3.74Å; F5-T33 PolarHBondContact N-O 3.45Å; F5-A34 HydrophobicContact CB-CB 3.99Å; F5-A34 CarbonylContact O-C 3.54Å; F5-A34 VanDerWaalsContact O-CA 3.31Å; F5-A34 WeakPolarHBondContact O-CA 3.35Å; F5-S35 PolarHBondContact O-N 3Å; F5-S35 PolarHBondContact O-OG 3.09Å; F5-F69 WeakPolarHBondContact CA-O 3.41Å; F5-F69 HydrophobicContact CD1-CB 3.57Å; F5-F69 HydrophobicContact CD1-CD2 4.38Å; F5-F69 HydrophobicContact CD1-CG 4.14Å; F5-F69 HydrophobicContact CE1-CB 3.74Å; F5-F69 HydrophobicContact CE1-CD1 4.48Å; F5-F69 AromaticContact CE1-CD2 3.85Å; F5-F69 HydrophobicContact CE1-CD2 3.85Å; F5-F69 AromaticContact CE1-CG 3.77Å; F5-F69 HydrophobicContact CE1-CG 3.77Å; F5-F69 HydrophobicContact CG-CB 4.32Å; F5-F69 AromaticContact CZ-CD2 3.96Å; F5-F69 HydrophobicContact CZ-CD2 3.96Å; F5-F69 HydrophobicContact CZ-CE2 4.45Å; F5-F69 HydrophobicContact CZ-CG 4.35Å; F5-A71 HydrophobicContact CD1-CB 4.47Å
6I98.3Very high95.6Very high1 Ų122.4 Ų22.41%0.00513%0.126CC..EExtended strand (participates in β ladder)trans-85.3110163.5-64175.7000107N58 T61 V62 L68 F69 L70 A71 V72 V80 I84I6-N58 HydrophobicContact CD1-CB 4.21Å; I6-N58 HydrophobicContact CG1-CB 4.43Å; I6-T61 HydrophobicContact CG1-CG2 4.4Å; I6-V62 HydrophobicContact CD1-CG2 4.2Å; I6-L68 HydrophobicContact CD1-CD1 4.14Å; I6-L68 HydrophobicContact CD1-CD2 3.95Å; I6-L68 HydrophobicContact CD1-CG 4.31Å; I6-L68 HydrophobicContact CG1-CD1 4.02Å; I6-F69 PolarHBondContact N-O 3.41Å; I6-L70 HydrophobicContact CB-CD2 4.3Å; I6-L70 HydrophobicContact CD1-CD2 3.96Å; I6-A71 CarbonylContact O-C 3.54Å; I6-A71 WeakPolarHBondContact O-CA 3.22Å; I6-A71 PolarHBondContact O-N 2.84Å; I6-V72 HydrophobicContact CG2-CG1 4.04Å; I6-V72 WeakPolarHBondContact O-CG1 3.46Å; I6-V80 HydrophobicContact CD1-CG1 3.86Å; I6-V80 HydrophobicContact CG2-CG1 3.76Å; I6-V80 HydrophobicContact CG2-CG2 4.06Å; I6-I84 HydrophobicContact CD1-CD1 3.44Å; I6-I84 VanDerWaalsContact CD1-CD1 3.44Å; I6-I84 HydrophobicContact CD1-CG2 4.08Å
7G96.6Very high95.4Very high10 Ų1026.6 Ų26.610%0.10314%0.143CC..  trans103.5127.4-169.700000112.2F5 A12 S35F5-G7 PolarHBondContact O-N 2.82Å; G7-A12 WeakPolarHBondContact O-CB 3.45Å; G7-S35 CarbonylContact C-O 3.57Å; G7-S35 VanDerWaalsContact CA-O 3.27Å; G7-S35 WeakPolarHBondContact CA-O 3.49Å; G7-S35 PolarHBondContact N-O 3.34Å
8A96.1Very high95.1Very high2 Ų225.1 Ų25.12%0.01714%0.135CC..  trans-111.338.8178.600000112.4S35 T43 V44 L47A8-S35 PolarHBondContact N-O 3.23Å; A8-T43 WeakPolarHBondContact O-CB 3.4Å; A8-T43 PolarHBondContact O-OG1 3.35Å; A8-V44 HydrophobicContact CB-CG2 3.61Å; A8-L47 HydrophobicContact CB-CD1 3.87Å
9G94.4Very high94.9Very high28 Ų2823.8 Ų23.829%0.28913%0.128SC..SBendtrans-77.5-165.6-179.900000113.9L11 A12 H13G9-L11 VanDerWaalsContact C-N 3.32Å; G9-L11 PolarHBondContact O-N 3.43Å; G9-A12 PolarHBondContact O-N 3.42Å; G9-H13 WeakPolarHBondContact O-CB 3.29Å; G9-H13 PolarHBondContact O-N 3.18Å
10Q93.2Very high94.7Very high132 Ų13224.7 Ų24.762%0.61713%0.134SC*.Hα-helixtrans-60-41.3178.6-66.8-63-22.800112.3H13 A14 T43Q10-H13 PolarHBondContact O-N 3.18Å; Q10-A14 VanDerWaalsContact O-CB 3.3Å; Q10-A14 WeakPolarHBondContact O-CB 3.45Å; Q10-A14 PolarHBondContact O-N 3.12Å; Q10-T43 HydrophobicContact CG-CG2 4.49Å
11L93.5Very high94.1Very high39 Ų3926.4 Ų26.420%0.20415%0.151CC..Hα-helixtrans-64.8-49.5-179.8177.860000111.9G9 H13 A14 L15 C97 T124G9-L11 VanDerWaalsContact C-N 3.32Å; G9-L11 PolarHBondContact O-N 3.43Å; L11-H13 VanDerWaalsContact C-N 3.34Å; L11-H13 PolarHBondContact O-N 3.42Å; L11-A14 PolarHBondContact O-N 2.7Å; L11-A14 VanDerWaalsContact O-N 3.16Å; L11-L15 HydrophobicContact CD1-CD1 3.92Å; L11-L15 HydrophobicContact CD1-CG 4.07Å; L11-L15 HydrophobicContact CG-CD1 4.01Å; L11-L15 WeakPolarHBondContact O-CG 3.32Å; L11-L15 PolarHBondContact O-N 2.59Å; L11-C97 HydrophobicContact CD2-CB 3.51Å; L11-T124 HydrophobicContact CD1-CG2 3.47Å; L11-T124 VanDerWaalsContact CD1-CG2 3.47Å; L11-T124 HydrophobicContact CD2-CG2 4.49Å
12A95.6Very high93Very high0 Ų023.2 Ų23.20%014%0.137CC..Hα-helixtrans-58.3-47176.500000111.1F5 G7 G9 A14 L15 V16 A71F5-A12 HydrophobicContact CB-CB 4.23Å; F5-A12 HydrophobicContact CD1-CB 3.82Å; F5-A12 HydrophobicContact CE1-CB 4.5Å; F5-A12 HydrophobicContact CG-CB 4.15Å; G7-A12 WeakPolarHBondContact O-CB 3.45Å; G9-A12 PolarHBondContact O-N 3.42Å; A12-A14 VanDerWaalsContact C-N 3.32Å; A12-A14 PolarHBondContact O-N 2.98Å; A12-L15 PolarHBondContact O-N 3.49Å; A12-V16 WeakPolarHBondContact O-CB 3.17Å; A12-V16 WeakPolarHBondContact O-CG2 2.93Å; A12-V16 PolarHBondContact O-N 3.43Å; A12-A71 HydrophobicContact CB-CB 4.27Å
13H95.2Very high90.8Very high39 Ų3926.7 Ų26.718%0.18117%0.168CC..Hα-helixtrans-58.4-42.5175.5-180-82.7000112.7G9 Q10 L11 K17 T43G9-H13 WeakPolarHBondContact O-CB 3.29Å; G9-H13 PolarHBondContact O-N 3.18Å; Q10-H13 PolarHBondContact O-N 3.18Å; L11-H13 VanDerWaalsContact C-N 3.34Å; L11-H13 PolarHBondContact O-N 3.42Å; H13-K17 VanDerWaalsContact O-CB 3.25Å; H13-K17 WeakPolarHBondContact O-CB 3.06Å; H13-K17 PolarHBondContact O-N 3.32Å; H13-T43 HydrophobicContact CB-CG2 4.09Å
14A93.9Very high88.7Confident5 Ų531.7 Ų31.74%0.04120%0.203CC..Hα-helixtrans-64.4-46.7178.600000112.1Q10 L11 A12 K17 G18 V128 V129Q10-A14 VanDerWaalsContact O-CB 3.3Å; Q10-A14 WeakPolarHBondContact O-CB 3.45Å; Q10-A14 PolarHBondContact O-N 3.12Å; L11-A14 PolarHBondContact O-N 2.7Å; L11-A14 VanDerWaalsContact O-N 3.16Å; A12-A14 VanDerWaalsContact C-N 3.32Å; A12-A14 PolarHBondContact O-N 2.98Å; A14-K17 PolarHBondContact O-N 3.05Å; A14-G18 PolarHBondContact O-N 3.15Å; A14-V128 HydrophobicContact CB-CG2 3.56Å; A14-V129 HydrophobicContact CB-CB 3.97Å
15L95.3Very high87Confident0 Ų033.1 Ų33.10%022%0.217CC..Hα-helixtrans-65.1-48.1179-73171.2000112F5 L11 A12 K17 G18 F19 F69 T124 V128 M155 V158F5-L15 HydrophobicContact CE1-CB 3.94Å; F5-L15 HydrophobicContact CE1-CD1 3.85Å; F5-L15 HydrophobicContact CZ-CB 3.95Å; L11-L15 HydrophobicContact CD1-CD1 3.92Å; L11-L15 HydrophobicContact CD1-CG 4.07Å; L11-L15 HydrophobicContact CG-CD1 4.01Å; L11-L15 WeakPolarHBondContact O-CG 3.32Å; L11-L15 PolarHBondContact O-N 2.59Å; A12-L15 PolarHBondContact O-N 3.49Å; L15-K17 VanDerWaalsContact C-N 3.26Å; L15-K17 PolarHBondContact O-N 3.15Å; L15-G18 PolarHBondContact O-N 3.21Å; L15-G18 VanDerWaalsContact O-N 3.12Å; L15-F19 HydrophobicContact CB-CD2 4.44Å; L15-F19 HydrophobicContact CB-CE2 4.02Å; L15-F19 HydrophobicContact CB-CZ 4.37Å; L15-F19 HydrophobicContact CD2-CZ 4.08Å; L15-F19 WeakPolarHBondContact O-CB 3.41Å; L15-F19 WeakPolarHBondContact O-CD2 3.49Å; L15-F19 VanDerWaalsContact O-CG 3.25Å; L15-F19 WeakPolarHBondContact O-CG 3.37Å; L15-F19 PolarHBondContact O-N 3.09Å; L15-F69 HydrophobicContact CD1-CD1 4.48Å; L15-T124 HydrophobicContact CD2-CG2 4.39Å; L15-V128 HydrophobicContact CD2-CB 4.11Å; L15-V128 HydrophobicContact CD2-CG1 4.1Å; L15-V128 HydrophobicContact CD2-CG2 3.85Å; L15-V128 HydrophobicContact CG-CG2 4.16Å; L15-M155 HydrophobicContact CD2-CE 3.7Å; L15-M155 HydrophobicContact CD2-SD 4.21Å; L15-V158 HydrophobicContact CD2-CG2 4.3Å
16V94.8Very high86.3Confident0 Ų036 Ų360%023%0.234CC..Hα-helixtrans-58.2-43.6176.9174.20000110.3F5 A12 G18 F19 T20 I32 L47 M50 V52F5-V16 HydrophobicContact CD2-CG2 3.81Å; F5-V16 HydrophobicContact CE2-CG2 3.37Å; F5-V16 HydrophobicContact CZ-CG2 3.83Å; A12-V16 WeakPolarHBondContact O-CB 3.17Å; A12-V16 WeakPolarHBondContact O-CG2 2.93Å; A12-V16 PolarHBondContact O-N 3.43Å; V16-G18 PolarHBondContact O-N 3.2Å; V16-F19 PolarHBondContact O-N 3.37Å; V16-T20 HydrophobicContact CG1-CG2 4.36Å; V16-T20 WeakPolarHBondContact O-CB 3.39Å; V16-T20 WeakPolarHBondContact O-CG2 3.13Å; V16-T20 PolarHBondContact O-N 3.1Å; V16-T20 PolarHBondContact O-OG1 2.84Å; V16-I32 HydrophobicContact CB-CD1 4.45Å; V16-I32 HydrophobicContact CG1-CD1 3.85Å; V16-I32 HydrophobicContact CG2-CD1 4.34Å; V16-I32 HydrophobicContact CG2-CG2 3.9Å; V16-L47 HydrophobicContact CB-CD2 3.69Å; V16-L47 HydrophobicContact CG1-CD2 3.68Å; V16-L47 HydrophobicContact CG2-CD2 3.82Å; V16-M50 HydrophobicContact CB-CE 4.34Å; V16-M50 HydrophobicContact CG1-CE 3.54Å; V16-V52 HydrophobicContact CG1-CG2 3.38Å
17K92.6Very high85.9Confident94 Ų9436.1 Ų36.141%0.40924%0.235SC..Hα-helixtrans-64.7-40.4177.6-176.9165.6168.2-171.20112.1H13 A14 L15 T20 A21 M50 V129H13-K17 VanDerWaalsContact O-CB 3.25Å; H13-K17 WeakPolarHBondContact O-CB 3.06Å; H13-K17 PolarHBondContact O-N 3.32Å; A14-K17 PolarHBondContact O-N 3.05Å; L15-K17 VanDerWaalsContact C-N 3.26Å; L15-K17 PolarHBondContact O-N 3.15Å; K17-T20 PolarHBondContact O-OG1 3.31Å; K17-A21 WeakPolarHBondContact O-CB 3.46Å; K17-A21 PolarHBondContact O-N 2.97Å; K17-A21 VanDerWaalsContact O-N 3.07Å; K17-M50 VanDerWaalsContact CA-CE 3.42Å; K17-M50 HydrophobicContact CB-CE 3.87Å; K17-M50 HydrophobicContact CB-SD 4.25Å; K17-M50 HydrophobicContact CG-CE 4.44Å; K17-V129 HydrophobicContact CB-CG2 4.2Å; K17-V129 HydrophobicContact CD-CG2 3.63Å; K17-V129 HydrophobicContact CG-CG2 4.08Å
18G90.6Very high85.7Confident0 Ų037.6 Ų37.60%025%0.246CC..Hα-helixtrans-61.4-52.5173.300000112.6A14 L15 V16 T20 A21 A22 V158A14-G18 PolarHBondContact O-N 3.15Å; L15-G18 PolarHBondContact O-N 3.21Å; L15-G18 VanDerWaalsContact O-N 3.12Å; V16-G18 PolarHBondContact O-N 3.2Å; G18-T20 VanDerWaalsContact C-N 3.32Å; G18-T20 PolarHBondContact O-N 3.42Å; G18-A21 PolarHBondContact O-N 2.99Å; G18-A22 PolarHBondContact O-N 3.21Å; G18-V158 VanDerWaalsContact CA-CG1 3.47Å
19F91.7Very high85.5Confident0 Ų038.4 Ų38.40%025%0.253CS..Hα-helixtrans-61.9-37.8-177.2-64.3-29.9000113.2F5 L15 V16 V26 F69 L154 M155 V158F5-F19 HydrophobicContact CZ-CD2 4.3Å; F5-F19 AromaticContact CZ-CE2 3.95Å; F5-F19 HydrophobicContact CZ-CE2 3.95Å; L15-F19 HydrophobicContact CB-CD2 4.44Å; L15-F19 HydrophobicContact CB-CE2 4.02Å; L15-F19 HydrophobicContact CB-CZ 4.37Å; L15-F19 HydrophobicContact CD2-CZ 4.08Å; L15-F19 WeakPolarHBondContact O-CB 3.41Å; L15-F19 WeakPolarHBondContact O-CD2 3.49Å; L15-F19 VanDerWaalsContact O-CG 3.25Å; L15-F19 WeakPolarHBondContact O-CG 3.37Å; L15-F19 PolarHBondContact O-N 3.09Å; V16-F19 PolarHBondContact O-N 3.37Å; F19-V26 PolarHBondContact O-N 2.79Å; F19-F69 HydrophobicContact CE2-CE2 4.23Å; F19-F69 HydrophobicContact CE2-CZ 4.33Å; F19-F69 HydrophobicContact CZ-CZ 4.23Å; F19-L154 HydrophobicContact CD1-CD1 3.78Å; F19-L154 HydrophobicContact CD1-CG 4.34Å; F19-L154 HydrophobicContact CD2-CD1 4.43Å; F19-L154 HydrophobicContact CE1-CD1 3.66Å; F19-L154 HydrophobicContact CE1-CG 3.7Å; F19-L154 WeakPolarHBondContact CE1-O 3.35Å; F19-L154 HydrophobicContact CE2-CD1 4.29Å; F19-L154 HydrophobicContact CE2-CD2 4.35Å; F19-L154 HydrophobicContact CE2-CG 4.32Å; F19-L154 HydrophobicContact CG-CD1 4.2Å; F19-L154 HydrophobicContact CZ-CD1 3.93Å; F19-L154 HydrophobicContact CZ-CD2 4.06Å; F19-L154 HydrophobicContact CZ-CG 3.69Å; F19-M155 HydrophobicContact CE1-SD 4.16Å; F19-M155 HydrophobicContact CZ-SD 3.77Å; F19-V158 HydrophobicContact CD1-CG1 3.52Å; F19-V158 HydrophobicContact CD1-CG2 4.47Å; F19-V158 HydrophobicContact CE1-CG1 3.81Å; F19-V158 HydrophobicContact CE1-CG2 3.9Å; F19-V158 HydrophobicContact CG-CG1 4.47Å
20T89.8Confident85.5Confident41 Ų4143.2 Ų43.225%0.25227%0.268SS..Hα-helixtrans-79.7-28179.553.60000113.1V16 K17 G18 A29 I32 M50V16-T20 HydrophobicContact CG1-CG2 4.36Å; V16-T20 WeakPolarHBondContact O-CB 3.39Å; V16-T20 WeakPolarHBondContact O-CG2 3.13Å; V16-T20 PolarHBondContact O-N 3.1Å; V16-T20 PolarHBondContact O-OG1 2.84Å; K17-T20 PolarHBondContact O-OG1 3.31Å; G18-T20 VanDerWaalsContact C-N 3.32Å; G18-T20 PolarHBondContact O-N 3.42Å; T20-A29 HydrophobicContact CG2-CB 3.95Å; T20-I32 HydrophobicContact CG2-CD1 4Å; T20-M50 HydrophobicContact CG2-CE 4.41Å; T20-M50 VanDerWaalsContact OG1-CE 3.26Å; T20-M50 WeakPolarHBondContact OG1-CE 3.42Å
21A82.7Confident85.6Confident61 Ų6141.9 Ų41.950%0.50426%0.257SS..Hα-helixtrans-93.2-8.2-178.400000114.6K17 G18K17-A21 WeakPolarHBondContact O-CB 3.46Å; K17-A21 PolarHBondContact O-N 2.97Å; K17-A21 VanDerWaalsContact O-N 3.07Å; G18-A21 PolarHBondContact O-N 2.99Å
22A66.6Low85.8Confident7 Ų740 Ų406%0.05825%0.247CC..SBendtrans-53.7146.3171.900000110.3G18 S24 G25 V26G18-A22 PolarHBondContact O-N 3.21Å; A22-S24 PolarHBondContact O-N 2.76Å; A22-G25 PolarHBondContact O-N 2.86Å; A22-V26 HydrophobicContact CB-CG2 3.98Å
23A52.1Low86Confident102 Ų10240.1 Ų40.184%0.84325%0.248SC*.THydrogen-bonded Turntrans-58-17.7-169.400000114.9
24S52.3Low86.1Confident105 Ų10538.3 Ų38.373%0.73424%0.24SC*.THydrogen-bonded Turntrans-107.1-3.8173.551.60000114.5A22A22-S24 PolarHBondContact O-N 2.76Å
25G63.8Low86.3Confident30 Ų3038 Ų3831%0.30924%0.238SC..  trans53.267.4-171.200000110.8A22 I27A22-G25 PolarHBondContact O-N 2.86Å; G25-I27 PolarHBondContact O-N 2.85Å
26V83.3Confident86.3Confident59 Ų5938.6 Ų38.636%0.35824%0.241SC..SBendtrans-47-35.7-172.1-178.60000111.4F19 A22 L154F19-V26 PolarHBondContact O-N 2.79Å; A22-V26 HydrophobicContact CB-CG2 3.98Å; V26-L154 HydrophobicContact CG1-CD1 3.97Å
27I89.8Confident86.2Confident4 Ų442.5 Ų42.52%0.02127%0.267CS..SBendtrans-133.5124.9171.1-50.2-171000110.1M1 V3 G25 R31 I32 L154M1-I27 HydrophobicContact CE-CD1 3.76Å; M1-I27 HydrophobicContact CE-CG1 4.14Å; V3-I27 HydrophobicContact CB-CD1 3.97Å; V3-I27 HydrophobicContact CG2-CD1 3.16Å; G25-I27 PolarHBondContact O-N 2.85Å; I27-R31 HydrophobicContact CG2-CB 3.94Å; I27-I32 HydrophobicContact CB-CD1 4.46Å; I27-I32 HydrophobicContact CG2-CD1 4.17Å; I27-I32 HydrophobicContact CG2-CG1 3.7Å; I27-L154 HydrophobicContact CD1-CD1 3.72Å; I27-L154 HydrophobicContact CG1-CD1 4.16Å
28A91.9Very high86Confident41 Ų4141.6 Ų41.634%0.33927%0.267SS..  trans-65.8138.5171.900000110.8H30 R31A28-H30 VanDerWaalsContact C-N 3.25Å; A28-H30 VanDerWaalsContact CB-CE1 3.43Å; A28-H30 WeakPolarHBondContact CB-CE1 3.25Å; A28-H30 PolarHBondContact O-N 2.71Å; A28-H30 VanDerWaalsContact O-N 3.12Å; A28-R31 HydrophobicContact CB-CG 4.41Å; A28-R31 WeakPolarHBondContact O-CA 2.99Å; A28-R31 WeakPolarHBondContact O-CB 3.36Å; A28-R31 PolarHBondContact O-N 3.1Å
29A93.2Very high86Confident19 Ų1944.6 Ų44.616%0.15729%0.285CS..G310 helixtrans-55.4-36.3-173.500000114.2T20 R31 I32 M50 G51 V52T20-A29 HydrophobicContact CG2-CB 3.95Å; A29-R31 PolarHBondContact O-N 3.27Å; A29-I32 WeakPolarHBondContact O-CB 3.3Å; A29-I32 PolarHBondContact O-N 3.22Å; A29-M50 WeakPolarHBondContact CB-O 3.46Å; A29-G51 CarbonylContact C-O 3.42Å; A29-V52 HydrophobicContact CB-CG2 4.48Å
30H93.4Very high85.9Confident129 Ų12951.2 Ų51.260%0.59732%0.32SS*.G310 helixtrans-68.9-12.5177.870-94.5000113.9A28 I32 G51 N53A28-H30 VanDerWaalsContact C-N 3.25Å; A28-H30 VanDerWaalsContact CB-CE1 3.43Å; A28-H30 WeakPolarHBondContact CB-CE1 3.25Å; A28-H30 PolarHBondContact O-N 2.71Å; A28-H30 VanDerWaalsContact O-N 3.12Å; H30-I32 VanDerWaalsContact C-N 3.33Å; H30-G51 PolarHBondContact N-O 3.2Å; H30-N53 PolarHBondContact O-ND2 3.28Å
31R96.4Very high86Confident104 Ų10451.9 Ų51.939%0.39232%0.322SS..G310 helixtrans-91.42171.6-59.4-171.465125.515.6112.6M1 S2 V3 I27 A28 A29M1-R31 VanDerWaalsContact C-NH2 3.31Å; M1-R31 VanDerWaalsContact N-NH2 3.17Å; M1-R31 PolarHBondContact O-NE 3.08Å; M1-R31 PolarHBondContact O-NH2 2.6Å; M1-R31 VanDerWaalsContact O-NH2 3.1Å; S2-R31 WeakPolarHBondContact CA-O 3.31Å; S2-R31 PolarHBondContact OG-NH2 3.03Å; V3-R31 PolarHBondContact N-O 2.92Å; I27-R31 HydrophobicContact CG2-CB 3.94Å; A28-R31 HydrophobicContact CB-CG 4.41Å; A28-R31 WeakPolarHBondContact O-CA 2.99Å; A28-R31 WeakPolarHBondContact O-CB 3.36Å; A28-R31 PolarHBondContact O-N 3.1Å; A29-R31 PolarHBondContact O-N 3.27Å
32I97.8Very high86.6Confident0 Ų054.1 Ų54.10%033%0.332CS..EExtended strand (participates in β ladder)trans-104.1132176.4-55.5177.7000108.6V3 F5 V16 T20 I27 A29 H30 V52 N53V3-I32 CarbonylContact O-C 3.5Å; V3-I32 VanDerWaalsContact O-CA 3.25Å; V3-I32 WeakPolarHBondContact O-CA 3.25Å; F5-I32 HydrophobicContact CD2-CG2 3.74Å; F5-I32 HydrophobicContact CE2-CG2 3.74Å; V16-I32 HydrophobicContact CB-CD1 4.45Å; V16-I32 HydrophobicContact CG1-CD1 3.85Å; V16-I32 HydrophobicContact CG2-CD1 4.34Å; V16-I32 HydrophobicContact CG2-CG2 3.9Å; T20-I32 HydrophobicContact CG2-CD1 4Å; I27-I32 HydrophobicContact CB-CD1 4.46Å; I27-I32 HydrophobicContact CG2-CD1 4.17Å; I27-I32 HydrophobicContact CG2-CG1 3.7Å; A29-I32 WeakPolarHBondContact O-CB 3.3Å; A29-I32 PolarHBondContact O-N 3.22Å; H30-I32 VanDerWaalsContact C-N 3.33Å; I32-V52 HydrophobicContact CB-CG1 4.15Å; I32-V52 HydrophobicContact CB-CG2 4.46Å; I32-V52 HydrophobicContact CG2-CG1 3.84Å; I32-N53 WeakPolarHBondContact O-CB 3.26Å; I32-N53 PolarHBondContact O-N 3.01Å; I32-N53 PolarHBondContact O-ND2 2.68Å
33T98.4Very high87.9Confident3 Ų354.3 Ų54.32%0.01833%0.332CS..EExtended strand (participates in β ladder)trans-121131.8171-54.30000109.5V3 G4 F5 N53 T55 T61V3-T33 PolarHBondContact O-N 2.98Å; G4-T33 CarbonylContact C-O 3.2Å; G4-T33 VanDerWaalsContact CA-O 3.27Å; G4-T33 WeakPolarHBondContact CA-O 3.5Å; F5-T33 PolarHBondContact N-O 3.45Å; T33-N53 CarbonylContact C-O 3.35Å; T33-N53 VanDerWaalsContact CA-O 3.3Å; T33-N53 WeakPolarHBondContact CA-O 3.36Å; T33-N53 HydrophobicContact CG2-CB 4.25Å; T33-T55 HydrophobicContact CG2-CG2 4.05Å; T33-T61 HydrophobicContact CG2-CG2 4.35Å
34A98.1Very high90Very high0 Ų049.7 Ų49.70%029%0.293CS..EExtended strand (participates in β ladder)trans-126.2134.7175.600000111.1F5 L47 V52 N53 L54 T55F5-A34 HydrophobicContact CB-CB 3.99Å; F5-A34 CarbonylContact O-C 3.54Å; F5-A34 VanDerWaalsContact O-CA 3.31Å; F5-A34 WeakPolarHBondContact O-CA 3.35Å; A34-L47 HydrophobicContact CB-CD1 4.23Å; A34-V52 HydrophobicContact CB-CG1 4.26Å; A34-N53 PolarHBondContact N-O 3.16Å; A34-L54 HydrophobicContact CB-CD2 4.09Å; A34-L54 WeakPolarHBondContact O-CA 3.32Å; A34-T55 PolarHBondContact O-N 3.47Å; A34-T55 VanDerWaalsContact O-N 3.12Å
35S98Very high92Very high0 Ų047.5 Ų47.50%028%0.275CS..EExtended strand (participates in β ladder)trans-104.9138.9174.252.60000112.9F5 G7 A8 T55 N58 T61F5-S35 PolarHBondContact O-N 3Å; F5-S35 PolarHBondContact O-OG 3.09Å; G7-S35 CarbonylContact C-O 3.57Å; G7-S35 VanDerWaalsContact CA-O 3.27Å; G7-S35 WeakPolarHBondContact CA-O 3.49Å; G7-S35 PolarHBondContact N-O 3.34Å; A8-S35 PolarHBondContact N-O 3.23Å; S35-T55 VanDerWaalsContact CA-O 3.23Å; S35-T55 WeakPolarHBondContact CA-O 3.5Å; S35-N58 WeakPolarHBondContact CB-OD1 3.35Å; S35-N58 PolarHBondContact OG-OD1 3.27Å; S35-T61 VanDerWaalsContact CB-OG1 3.25Å; S35-T61 WeakPolarHBondContact CB-OG1 3.43Å; S35-T61 PolarHBondContact OG-OG1 2.9Å
36S95.5Very high93.4Very high11 Ų1146.8 Ų46.88%0.07727%0.268CS..  trans-151.6135.4169177.70000110.4D38 T55S36-D38 VanDerWaalsContact C-N 3.26Å; S36-D38 PolarHBondContact O-N 3Å; S36-D38 PolarHBondContact OG-N 2.96Å; S36-D38 PolarHBondContact OG-O 3.4Å; S36-T55 PolarHBondContact N-O 2.73Å; S36-T55 VanDerWaalsContact N-O 3.16Å
37P91.5Very high94Very high83 Ų8344 Ų4454%0.53925%0.251SS..SBendtrans-71.7-22.3173.929-33.6000112.6T288P37-T288 HydrophobicContact CB-CG2 3.81Å; P37-T288 HydrophobicContact CG-CG2 3.44Å; P37-T288 VanDerWaalsContact CG-CG2 3.44Å
38D89.9Confident94.2Very high75 Ų7551 Ų5140%0.40128%0.278SS..  trans-102.3111.6174-173.9-10.7000109.5S36 D40 L41S36-D38 VanDerWaalsContact C-N 3.26Å; S36-D38 PolarHBondContact O-N 3Å; S36-D38 PolarHBondContact OG-N 2.96Å; S36-D38 PolarHBondContact OG-O 3.4Å; D38-D40 PolarHBondContact OD1-N 3.47Å; D38-L41 HydrophobicContact CB-CD1 4.1Å; D38-L41 HydrophobicContact CB-CG 4Å; D38-L41 WeakPolarHBondContact OD2-CD2 3.48Å
39T89.7Confident94.3Very high62 Ų6257.3 Ų57.338%0.3830%0.297SS..SBendtrans-90.3-11.2-176.555.30000113.8V44 T56T39-V44 WeakPolarHBondContact O-CG1 3.34Å; T39-T56 HydrophobicContact CG2-CG2 3.88Å
40D90.4Very high94.3Very high139 Ų13959 Ų5974%0.74330%0.302SS*.  trans-94.1-1.4-173.6-62.2-27.3000112.1D38D38-D40 PolarHBondContact OD1-N 3.47Å
41L91.7Very high94.4Very high55 Ų5554.8 Ų54.829%0.28829%0.294SS..  trans-58.2138.2176.7-65.2176.2000111.4D38 T43 V44 T45D38-L41 HydrophobicContact CB-CD1 4.1Å; D38-L41 HydrophobicContact CB-CG 4Å; D38-L41 WeakPolarHBondContact OD2-CD2 3.48Å; L41-T43 PolarHBondContact O-N 2.95Å; L41-T43 VanDerWaalsContact O-N 3.14Å; L41-V44 HydrophobicContact CB-CB 4.28Å; L41-V44 HydrophobicContact CB-CG2 3.97Å; L41-V44 HydrophobicContact CD1-CG2 4.44Å; L41-V44 WeakPolarHBondContact O-CB 3.44Å; L41-V44 PolarHBondContact O-N 2.88Å; L41-T45 PolarHBondContact O-N 3.23Å
42P93.9Very high94.4Very high109 Ų10950.3 Ų50.371%0.70828%0.278SS*.Hα-helixtrans-55.4-33.6174.3-27.534.9000113.2T45 G46P42-T45 PolarHBondContact O-N 2.91Å; P42-G46 PolarHBondContact O-N 3.43Å
43T95.3Very high94.4Very high11 Ų1153.3 Ų53.37%0.06730%0.295CS..Hα-helixtrans-67.1-40.1176.348.10000112.3A8 Q10 H13 L41 G46 L47A8-T43 WeakPolarHBondContact O-CB 3.4Å; A8-T43 PolarHBondContact O-OG1 3.35Å; Q10-T43 HydrophobicContact CG-CG2 4.49Å; H13-T43 HydrophobicContact CB-CG2 4.09Å; L41-T43 PolarHBondContact O-N 2.95Å; L41-T43 VanDerWaalsContact O-N 3.14Å; T43-G46 PolarHBondContact O-N 2.88Å; T43-L47 WeakPolarHBondContact O-CG 3.23Å; T43-L47 PolarHBondContact O-N 2.82Å
44V94.9Very high94.3Very high4 Ų455.6 Ų55.62%0.02431%0.306CS..Hα-helixtrans-64.4-43174.7173.50000110.6A8 T39 L41 G46 L47 R48 L54A8-V44 HydrophobicContact CB-CG2 3.61Å; T39-V44 WeakPolarHBondContact O-CG1 3.34Å; L41-V44 HydrophobicContact CB-CB 4.28Å; L41-V44 HydrophobicContact CB-CG2 3.97Å; L41-V44 HydrophobicContact CD1-CG2 4.44Å; L41-V44 WeakPolarHBondContact O-CB 3.44Å; L41-V44 PolarHBondContact O-N 2.88Å; V44-G46 VanDerWaalsContact C-N 3.31Å; V44-G46 PolarHBondContact O-N 2.87Å; V44-L47 PolarHBondContact O-N 3.43Å; V44-R48 PolarHBondContact O-N 3.27Å; V44-L54 HydrophobicContact CG1-CD1 3.78Å; V44-L54 HydrophobicContact CG1-CD2 4.26Å; V44-L54 WeakPolarHBondContact O-CD1 3.41Å
45T94.3Very high94.3Very high59 Ų5956.6 Ų56.636%0.36231%0.312SS..Hα-helixtrans-61.1-40.7173.7-63.10000111.7L41 P42 R48 K49L41-T45 PolarHBondContact O-N 3.23Å; P42-T45 PolarHBondContact O-N 2.91Å; T45-R48 PolarHBondContact O-N 3.29Å; T45-K49 WeakPolarHBondContact O-CG 3.41Å; T45-K49 PolarHBondContact O-N 3.14Å
46G94.5Very high94.2Very high16 Ų1660.9 Ų60.917%0.16534%0.339CS..Hα-helixtrans-60.9-49.6174.600000112.8P42 T43 V44 R48 K49 M50P42-G46 PolarHBondContact O-N 3.43Å; T43-G46 PolarHBondContact O-N 2.88Å; V44-G46 VanDerWaalsContact C-N 3.31Å; V44-G46 PolarHBondContact O-N 2.87Å; G46-R48 VanDerWaalsContact C-N 3.32Å; G46-R48 PolarHBondContact O-N 3.49Å; G46-K49 PolarHBondContact O-N 2.97Å; G46-M50 WeakPolarHBondContact O-CG 3.39Å; G46-M50 PolarHBondContact O-N 2.95Å
47L95.4Very high94.3Very high0 Ų062.3 Ų62.30%035%0.349CS..Hα-helixtrans-59.3-41.6177.1-71.7170.3000112A8 V16 A34 T43 V44 K49 M50 G51 V52 L54A8-L47 HydrophobicContact CB-CD1 3.87Å; V16-L47 HydrophobicContact CB-CD2 3.69Å; V16-L47 HydrophobicContact CG1-CD2 3.68Å; V16-L47 HydrophobicContact CG2-CD2 3.82Å; A34-L47 HydrophobicContact CB-CD1 4.23Å; T43-L47 WeakPolarHBondContact O-CG 3.23Å; T43-L47 PolarHBondContact O-N 2.82Å; V44-L47 PolarHBondContact O-N 3.43Å; L47-K49 VanDerWaalsContact C-N 3.33Å; L47-K49 PolarHBondContact O-N 3.3Å; L47-M50 WeakPolarHBondContact O-CB 3.28Å; L47-M50 PolarHBondContact O-N 3.47Å; L47-M50 VanDerWaalsContact O-N 3.1Å; L47-G51 PolarHBondContact O-N 2.86Å; L47-V52 HydrophobicContact CB-CB 4.27Å; L47-V52 HydrophobicContact CB-CG2 4.46Å; L47-V52 HydrophobicContact CD2-CG2 4.11Å; L47-V52 WeakPolarHBondContact O-CB 3.09Å; L47-V52 PolarHBondContact O-N 3.06Å; L47-L54 HydrophobicContact CB-CD2 4.12Å; L47-L54 HydrophobicContact CD1-CD2 4.25Å
48R94.1Very high94.6Very high151 Ų15159.4 Ų59.457%0.5733%0.329SS*.Hα-helixtrans-59-45.1176.3-168.3176.9-66.6163.62.1111.6V44 T45 G46 M50 G51 L54V44-R48 PolarHBondContact O-N 3.27Å; T45-R48 PolarHBondContact O-N 3.29Å; G46-R48 VanDerWaalsContact C-N 3.32Å; G46-R48 PolarHBondContact O-N 3.49Å; R48-M50 PolarHBondContact O-N 3.3Å; R48-G51 PolarHBondContact O-N 3.43Å; R48-G51 VanDerWaalsContact O-N 3.09Å; R48-L54 HydrophobicContact CB-CD1 3.6Å; R48-L54 HydrophobicContact CG-CD1 4.21Å
49K94.4Very high95Very high174 Ų17459.5 Ų59.576%0.75733%0.326SS*.Hα-helixtrans-64.6-24.1178.4-71.7176-179.9-179.30112.9T45 G46 L47 G51T45-K49 WeakPolarHBondContact O-CG 3.41Å; T45-K49 PolarHBondContact O-N 3.14Å; G46-K49 PolarHBondContact O-N 2.97Å; L47-K49 VanDerWaalsContact C-N 3.33Å; L47-K49 PolarHBondContact O-N 3.3Å; K49-G51 VanDerWaalsContact C-N 3.32Å
50M93.6Very high95.4Very high53 Ų5359.5 Ų59.526%0.26132%0.321SS..THydrogen-bonded Turntrans-82.8-6.9176.1-66.1171.355.500113.6V16 K17 T20 A29 G46 L47 R48 V52V16-M50 HydrophobicContact CB-CE 4.34Å; V16-M50 HydrophobicContact CG1-CE 3.54Å; K17-M50 VanDerWaalsContact CA-CE 3.42Å; K17-M50 HydrophobicContact CB-CE 3.87Å; K17-M50 HydrophobicContact CB-SD 4.25Å; K17-M50 HydrophobicContact CG-CE 4.44Å; T20-M50 HydrophobicContact CG2-CE 4.41Å; T20-M50 VanDerWaalsContact OG1-CE 3.26Å; T20-M50 WeakPolarHBondContact OG1-CE 3.42Å; A29-M50 WeakPolarHBondContact CB-O 3.46Å; G46-M50 WeakPolarHBondContact O-CG 3.39Å; G46-M50 PolarHBondContact O-N 2.95Å; L47-M50 WeakPolarHBondContact O-CB 3.28Å; L47-M50 PolarHBondContact O-N 3.47Å; L47-M50 VanDerWaalsContact O-N 3.1Å; R48-M50 PolarHBondContact O-N 3.3Å; M50-V52 HydrophobicContact CB-CG2 4.36Å
51G94.3Very high95.8Very high41 Ų4152.9 Ų52.942%0.42329%0.286SS..THydrogen-bonded Turntrans83.923.1-178.700000114.4A29 H30 L47 R48 K49A29-G51 CarbonylContact C-O 3.42Å; H30-G51 PolarHBondContact N-O 3.2Å; L47-G51 PolarHBondContact O-N 2.86Å; R48-G51 PolarHBondContact O-N 3.43Å; R48-G51 VanDerWaalsContact O-N 3.09Å; K49-G51 VanDerWaalsContact C-N 3.32Å
52V96.4Very high96.1Very high10 Ų1050.3 Ų50.36%0.06127%0.272CS..  trans-78.2140.5173.5177.90000110V16 A29 I32 A34 L47 M50 L54V16-V52 HydrophobicContact CG1-CG2 3.38Å; A29-V52 HydrophobicContact CB-CG2 4.48Å; I32-V52 HydrophobicContact CB-CG1 4.15Å; I32-V52 HydrophobicContact CB-CG2 4.46Å; I32-V52 HydrophobicContact CG2-CG1 3.84Å; A34-V52 HydrophobicContact CB-CG1 4.26Å; L47-V52 HydrophobicContact CB-CB 4.27Å; L47-V52 HydrophobicContact CB-CG2 4.46Å; L47-V52 HydrophobicContact CD2-CG2 4.11Å; L47-V52 WeakPolarHBondContact O-CB 3.09Å; L47-V52 PolarHBondContact O-N 3.06Å; M50-V52 HydrophobicContact CB-CG2 4.36Å; V52-L54 PolarHBondContact O-N 3.14Å
53N97.2Very high96.3Very high64 Ų6449 Ų4934%0.34226%0.26SS..EExtended strand (participates in β ladder)trans-71.8126171.7-59-53.5000109.5H30 I32 T33 A34H30-N53 PolarHBondContact O-ND2 3.28Å; I32-N53 WeakPolarHBondContact O-CB 3.26Å; I32-N53 PolarHBondContact O-N 3.01Å; I32-N53 PolarHBondContact O-ND2 2.68Å; T33-N53 CarbonylContact C-O 3.35Å; T33-N53 VanDerWaalsContact CA-O 3.3Å; T33-N53 WeakPolarHBondContact CA-O 3.36Å; T33-N53 HydrophobicContact CG2-CB 4.25Å; A34-N53 PolarHBondContact N-O 3.16Å
54L97.4Very high96.4Very high51 Ų5154.4 Ų54.427%0.26728%0.279SS..EExtended strand (participates in β ladder)trans-114.8136.9-179.9-70.3165.5000110A34 V44 L47 R48 V52A34-L54 HydrophobicContact CB-CD2 4.09Å; A34-L54 WeakPolarHBondContact O-CA 3.32Å; V44-L54 HydrophobicContact CG1-CD1 3.78Å; V44-L54 HydrophobicContact CG1-CD2 4.26Å; V44-L54 WeakPolarHBondContact O-CD1 3.41Å; L47-L54 HydrophobicContact CB-CD2 4.12Å; L47-L54 HydrophobicContact CD1-CD2 4.25Å; R48-L54 HydrophobicContact CB-CD1 3.6Å; R48-L54 HydrophobicContact CG-CD1 4.21Å; V52-L54 PolarHBondContact O-N 3.14Å
55T97.5Very high96.5Very high20 Ų2054.2 Ų54.212%0.12328%0.277CS..EExtended strand (participates in β ladder)trans-140.9162.8175.9-179.40000110.4T33 A34 S35 S36 S57 E60 T61T33-T55 HydrophobicContact CG2-CG2 4.05Å; A34-T55 PolarHBondContact O-N 3.47Å; A34-T55 VanDerWaalsContact O-N 3.12Å; S35-T55 VanDerWaalsContact CA-O 3.23Å; S35-T55 WeakPolarHBondContact CA-O 3.5Å; S36-T55 PolarHBondContact N-O 2.73Å; S36-T55 VanDerWaalsContact N-O 3.16Å; T55-S57 WeakPolarHBondContact CG2-O 3.39Å; T55-S57 PolarHBondContact OG1-N 3.08Å; T55-E60 VanDerWaalsContact CB-OE2 3.29Å; T55-E60 WeakPolarHBondContact CB-OE2 3.25Å; T55-E60 HydrophobicContact CG2-CB 4.22Å; T55-E60 HydrophobicContact CG2-CG 4.39Å; T55-E60 PolarHBondContact OG1-OE2 3.43Å; T55-T61 WeakPolarHBondContact CG2-OG1 3.42Å
56T96.8Very high96.7Very high91 Ų9153.9 Ų53.956%0.55827%0.273SS*.SBendtrans-95.5-4.5168.555.50000112T39T39-T56 HydrophobicContact CG2-CG2 3.88Å
57S97.6Very high96.9Very high41 Ų4153.2 Ų53.229%0.28727%0.266SS..  trans-101.1117.6-176.9176.60000111.6T55 K59 E60 T61T55-S57 WeakPolarHBondContact CG2-O 3.39Å; T55-S57 PolarHBondContact OG1-N 3.08Å; S57-K59 VanDerWaalsContact C-N 3.29Å; S57-K59 PolarHBondContact O-N 3.04Å; S57-E60 PolarHBondContact O-N 3.47Å; S57-E60 PolarHBondContact OG-N 3.01Å; S57-T61 PolarHBondContact O-N 3.32Å; S57-T61 PolarHBondContact O-OG1 2.76Å
58N98.1Very high97Very high22 Ų2253.2 Ų53.212%0.11827%0.266CS..Hα-helixtrans-64.9-36.9174.3-66.8-30.3000111.3I6 S35 E60 T61 V62 E83 I84I6-N58 HydrophobicContact CD1-CB 4.21Å; I6-N58 HydrophobicContact CG1-CB 4.43Å; S35-N58 WeakPolarHBondContact CB-OD1 3.35Å; S35-N58 PolarHBondContact OG-OD1 3.27Å; N58-E60 VanDerWaalsContact C-N 3.33Å; N58-E60 PolarHBondContact O-N 3.28Å; N58-T61 WeakPolarHBondContact O-CB 3.2Å; N58-T61 PolarHBondContact O-N 3.28Å; N58-T61 VanDerWaalsContact O-N 3.14Å; N58-V62 WeakPolarHBondContact O-CG2 3.27Å; N58-V62 PolarHBondContact O-N 3.31Å; N58-E83 PolarHBondContact ND2-OE2 2.81Å; N58-I84 HydrophobicContact CB-CG2 3.7Å
59K97.5Very high97.2Very high77 Ų7746 Ų4634%0.33524%0.239SC..Hα-helixtrans-60.2-41.1176.5-60.2178.3175.8-90.90112.3S57 T61 V62 N63 E83 D87S57-K59 VanDerWaalsContact C-N 3.29Å; S57-K59 PolarHBondContact O-N 3.04Å; K59-T61 VanDerWaalsContact C-N 3.33Å; K59-T61 PolarHBondContact O-N 3.04Å; K59-V62 PolarHBondContact O-N 2.89Å; K59-N63 WeakPolarHBondContact O-CB 3.41Å; K59-N63 VanDerWaalsContact O-CG 3.27Å; K59-N63 PolarHBondContact O-N 3.26Å; K59-N63 PolarHBondContact O-ND2 3.3Å; K59-E83 PolarHBondContact NZ-O 2.97Å; K59-E83 VanDerWaalsContact NZ-O 3.08Å; K59-D87 WeakPolarHBondContact CG-OD2 3.36Å; K59-D87 IonicContact NZ-OD2 3.79Å; K59-D87 PolarHBondContact NZ-OD2 2.85Å
60E97.8Very high97.4Very high62 Ų6237.8 Ų37.829%0.2920%0.203SC..Hα-helixtrans-64.1-40.2175.6-176-178.317500111.4T55 S57 N58 N63 R64T55-E60 VanDerWaalsContact CB-OE2 3.29Å; T55-E60 WeakPolarHBondContact CB-OE2 3.25Å; T55-E60 HydrophobicContact CG2-CB 4.22Å; T55-E60 HydrophobicContact CG2-CG 4.39Å; T55-E60 PolarHBondContact OG1-OE2 3.43Å; S57-E60 PolarHBondContact O-N 3.47Å; S57-E60 PolarHBondContact OG-N 3.01Å; N58-E60 VanDerWaalsContact C-N 3.33Å; N58-E60 PolarHBondContact O-N 3.28Å; E60-N63 PolarHBondContact O-N 3.23Å; E60-R64 WeakPolarHBondContact O-CG 3.32Å; E60-R64 PolarHBondContact O-N 2.71Å; E60-R64 IonicContact OE1-CZ 2.92Å; E60-R64 IonicContact OE1-NE 3.87Å; E60-R64 IonicContact OE1-NH1 2.7Å; E60-R64 PolarHBondContact OE1-NH1 3.44Å; E60-R64 IonicContact OE1-NH2 2.8Å; E60-R64 PolarHBondContact OE1-NH2 3.5Å
61T98.4Very high97.6Very high0 Ų036 Ų360%020%0.197CC..Hα-helixtrans-60.6-46.6173.6-58.20000111.2I6 T33 S35 T55 S57 N58 K59 R64 S65 L68I6-T61 HydrophobicContact CG1-CG2 4.4Å; T33-T61 HydrophobicContact CG2-CG2 4.35Å; S35-T61 VanDerWaalsContact CB-OG1 3.25Å; S35-T61 WeakPolarHBondContact CB-OG1 3.43Å; S35-T61 PolarHBondContact OG-OG1 2.9Å; T55-T61 WeakPolarHBondContact CG2-OG1 3.42Å; S57-T61 PolarHBondContact O-N 3.32Å; S57-T61 PolarHBondContact O-OG1 2.76Å; N58-T61 WeakPolarHBondContact O-CB 3.2Å; N58-T61 PolarHBondContact O-N 3.28Å; N58-T61 VanDerWaalsContact O-N 3.14Å; K59-T61 VanDerWaalsContact C-N 3.33Å; K59-T61 PolarHBondContact O-N 3.04Å; T61-R64 PolarHBondContact O-N 3.01Å; T61-S65 WeakPolarHBondContact O-CB 3.45Å; T61-S65 PolarHBondContact O-N 3.23Å; T61-S65 PolarHBondContact O-OG 3.07Å; T61-L68 HydrophobicContact CG2-CD1 3.89Å
62V98.3Very high97.6Very high0 Ų035.4 Ų35.40%019%0.185CC..Hα-helixtrans-56.4-55.6176.8175.50000110.5I6 N58 K59 R64 S65 L68 I84 D87 I88 H92I6-V62 HydrophobicContact CD1-CG2 4.2Å; N58-V62 WeakPolarHBondContact O-CG2 3.27Å; N58-V62 PolarHBondContact O-N 3.31Å; K59-V62 PolarHBondContact O-N 2.89Å; V62-R64 PolarHBondContact O-N 3.36Å; V62-S65 PolarHBondContact O-N 2.9Å; V62-L68 HydrophobicContact CG2-CD1 4.39Å; V62-L68 HydrophobicContact CG2-CD2 3.67Å; V62-I84 HydrophobicContact CG2-CB 3.82Å; V62-I84 HydrophobicContact CG2-CD1 4.08Å; V62-I84 HydrophobicContact CG2-CG1 4.38Å; V62-I84 HydrophobicContact CG2-CG2 3.92Å; V62-D87 HydrophobicContact CG1-CB 4.29Å; V62-I88 HydrophobicContact CG1-CD1 3.87Å; V62-I88 HydrophobicContact CG2-CD1 4.47Å; V62-H92 PolarHBondContact O-NE2 3.07Å
63N97.6Very high97.3Very high83 Ų8340.1 Ų40.144%0.44421%0.205SC..Hα-helixtrans-60.3-21.8-175.7-69-20.9000114.4K59 E60K59-N63 WeakPolarHBondContact O-CB 3.41Å; K59-N63 VanDerWaalsContact O-CG 3.27Å; K59-N63 PolarHBondContact O-N 3.26Å; K59-N63 PolarHBondContact O-ND2 3.3Å; E60-N63 PolarHBondContact O-N 3.23Å
64R97.5Very high97Very high123 Ų12338.4 Ų38.446%0.46420%0.197SC..THydrogen-bonded Turntrans-97.84.9179.4-70.7-172.8173.815612.3114.5S2 E60 T61 V62S2-R64 WeakPolarHBondContact CB-O 3.5Å; E60-R64 WeakPolarHBondContact O-CG 3.32Å; E60-R64 PolarHBondContact O-N 2.71Å; E60-R64 IonicContact OE1-CZ 2.92Å; E60-R64 IonicContact OE1-NE 3.87Å; E60-R64 IonicContact OE1-NH1 2.7Å; E60-R64 PolarHBondContact OE1-NH1 3.44Å; E60-R64 IonicContact OE1-NH2 2.8Å; E60-R64 PolarHBondContact OE1-NH2 3.5Å; T61-R64 PolarHBondContact O-N 3.01Å; V62-R64 PolarHBondContact O-N 3.36Å
65S98Very high96.5Very high0 Ų038 Ų380%019%0.194CC..  trans-121.2148-169.5-56.70000112G4 T61 V62 H92G4-S65 WeakPolarHBondContact CA-OG 3.15Å; G4-S65 PolarHBondContact N-OG 2.95Å; G4-S65 VanDerWaalsContact N-OG 3.08Å; T61-S65 WeakPolarHBondContact O-CB 3.45Å; T61-S65 PolarHBondContact O-N 3.23Å; T61-S65 PolarHBondContact O-OG 3.07Å; V62-S65 PolarHBondContact O-N 2.9Å; S65-H92 PolarHBondContact O-CD2 3.39Å; S65-H92 PolarHBondContact O-NE2 2.93Å
66D97.9Very high96.2Very high52 Ų5239.8 Ų39.828%0.27820%0.202SC..SBendtrans-100.3-41.2166.3-57.8-47.7000109.2M1 S2 H92 L93M1-D66 VanDerWaalsContact C-OD2 3.27Å; M1-D66 WeakPolarHBondContact CA-OD2 3.43Å; M1-D66 HydrophobicContact CG-CB 4.46Å; M1-D66 PolarHBondContact N-OD2 2.8Å; S2-D66 PolarHBondContact N-OD2 3.11Å; S2-D66 PolarHBondContact O-N 2.84Å; D66-H92 WeakPolarHBondContact O-CA 3.49Å; D66-L93 PolarHBondContact O-N 3.03Å
67V98.4Very high96.1Very high3 Ų335.5 Ų35.52%0.01818%0.176CC..EExtended strand (participates in β ladder)trans-113.6125.1173.1-1760000109M1 S2 V3 G4 F69 L93 V95 L150M1-V67 HydrophobicContact CG-CG2 4.28Å; M1-V67 HydrophobicContact SD-CG2 3.94Å; S2-V67 PolarHBondContact O-N 3.46Å; V3-V67 WeakPolarHBondContact CA-O 3.43Å; V3-V67 HydrophobicContact CG2-CB 4.23Å; G4-V67 PolarHBondContact N-O 3.33Å; V67-F69 HydrophobicContact CG1-CD2 4.42Å; V67-F69 HydrophobicContact CG1-CE2 3.95Å; V67-F69 HydrophobicContact CG1-CZ 4.45Å; V67-L93 CarbonylContact C-O 3.53Å; V67-L93 WeakPolarHBondContact CA-O 3.34Å; V67-L93 HydrophobicContact CG1-CD2 4.4Å; V67-L93 HydrophobicContact CG2-CB 4.32Å; V67-L93 HydrophobicContact CG2-CD2 4.35Å; V67-V95 HydrophobicContact CG1-CG2 3.77Å; V67-L150 HydrophobicContact CG2-CD2 4.05Å
68L98.5Very high95.8Very high0 Ų035 Ų350%017%0.171CC..EExtended strand (participates in β ladder)trans-116.9108.6-173.4-174.869.1000110.8I6 T61 V62 L70 I84 I88 L93 V95I6-L68 HydrophobicContact CD1-CD1 4.14Å; I6-L68 HydrophobicContact CD1-CD2 3.95Å; I6-L68 HydrophobicContact CD1-CG 4.31Å; I6-L68 HydrophobicContact CG1-CD1 4.02Å; T61-L68 HydrophobicContact CG2-CD1 3.89Å; V62-L68 HydrophobicContact CG2-CD1 4.39Å; V62-L68 HydrophobicContact CG2-CD2 3.67Å; L68-L70 HydrophobicContact CD2-CD2 4.3Å; L68-L70 HydrophobicContact CG-CD2 4.36Å; L68-I84 HydrophobicContact CD2-CD1 3.99Å; L68-I88 HydrophobicContact CD2-CD1 4.15Å; L68-L93 PolarHBondContact N-O 3.39Å; L68-V95 PolarHBondContact O-N 2.82Å
69F98.6Very high95.6Very high0 Ų039.6 Ų39.60%019%0.19CC..EExtended strand (participates in β ladder)trans-82.9125.1174.1-72.2-90.3000111.3V3 G4 F5 I6 L15 F19 V67 A71 V95 L151 L154 M155V3-F69 HydrophobicContact CG1-CD2 3.68Å; V3-F69 HydrophobicContact CG1-CE2 3.76Å; G4-F69 PolarHBondContact O-N 3.12Å; F5-F69 WeakPolarHBondContact CA-O 3.41Å; F5-F69 HydrophobicContact CD1-CB 3.57Å; F5-F69 HydrophobicContact CD1-CD2 4.38Å; F5-F69 HydrophobicContact CD1-CG 4.14Å; F5-F69 HydrophobicContact CE1-CB 3.74Å; F5-F69 HydrophobicContact CE1-CD1 4.48Å; F5-F69 AromaticContact CE1-CD2 3.85Å; F5-F69 HydrophobicContact CE1-CD2 3.85Å; F5-F69 AromaticContact CE1-CG 3.77Å; F5-F69 HydrophobicContact CE1-CG 3.77Å; F5-F69 HydrophobicContact CG-CB 4.32Å; F5-F69 AromaticContact CZ-CD2 3.96Å; F5-F69 HydrophobicContact CZ-CD2 3.96Å; F5-F69 HydrophobicContact CZ-CE2 4.45Å; F5-F69 HydrophobicContact CZ-CG 4.35Å; I6-F69 PolarHBondContact N-O 3.41Å; L15-F69 HydrophobicContact CD1-CD1 4.48Å; F19-F69 HydrophobicContact CE2-CE2 4.23Å; F19-F69 HydrophobicContact CE2-CZ 4.33Å; F19-F69 HydrophobicContact CZ-CZ 4.23Å; V67-F69 HydrophobicContact CG1-CD2 4.42Å; V67-F69 HydrophobicContact CG1-CE2 3.95Å; V67-F69 HydrophobicContact CG1-CZ 4.45Å; F69-A71 PolarHBondContact O-N 2.79Å; F69-V95 CarbonylContact C-O 3.57Å; F69-V95 VanDerWaalsContact CA-O 3.29Å; F69-V95 WeakPolarHBondContact CA-O 3.38Å; F69-V95 HydrophobicContact CD1-CB 3.86Å; F69-V95 HydrophobicContact CD1-CG1 3.78Å; F69-V95 HydrophobicContact CE1-CB 3.97Å; F69-V95 HydrophobicContact CE1-CG1 3.63Å; F69-V95 HydrophobicContact CE1-CG2 4.48Å; F69-V95 HydrophobicContact CG-CB 4.4Å; F69-V95 HydrophobicContact CZ-CG1 4.5Å; F69-L151 HydrophobicContact CE1-CD1 4.33Å; F69-L151 HydrophobicContact CZ-CD1 4.15Å; F69-L154 HydrophobicContact CE2-CD2 3.99Å; F69-L154 HydrophobicContact CZ-CD2 3.92Å; F69-M155 HydrophobicContact CE1-SD 4.21Å; F69-M155 HydrophobicContact CZ-SD 4.23Å
70L98.3Very high95.5Very high0 Ų036.2 Ų36.20%018%0.176CC..EExtended strand (participates in β ladder)trans-90.995.3169.1-47.7-179.1000108.7I6 L68 I77 V80 L81 I84 I94 V95 C97I6-L70 HydrophobicContact CB-CD2 4.3Å; I6-L70 HydrophobicContact CD1-CD2 3.96Å; L68-L70 HydrophobicContact CD2-CD2 4.3Å; L68-L70 HydrophobicContact CG-CD2 4.36Å; L70-I77 HydrophobicContact CB-CD1 3.62Å; L70-I77 HydrophobicContact CD1-CD1 4.09Å; L70-I77 HydrophobicContact CG-CD1 4.47Å; L70-V80 HydrophobicContact CD2-CG1 4.4Å; L70-L81 HydrophobicContact CD1-CD2 3.96Å; L70-I84 HydrophobicContact CD2-CD1 4.36Å; L70-I94 HydrophobicContact CD1-CG2 3.82Å; L70-I94 HydrophobicContact CG-CG2 4.07Å; L70-V95 PolarHBondContact N-O 3.49Å; L70-C97 PolarHBondContact O-N 2.93Å
71A96.8Very high95.5Very high16 Ų1633.5 Ų33.513%0.13216%0.164CC..  trans-109.733.5-175.200000112.5F5 I6 A12 F69F5-A71 HydrophobicContact CD1-CB 4.47Å; I6-A71 CarbonylContact O-C 3.54Å; I6-A71 WeakPolarHBondContact O-CA 3.22Å; I6-A71 PolarHBondContact O-N 2.84Å; A12-A71 HydrophobicContact CB-CB 4.27Å; F69-A71 PolarHBondContact O-N 2.79Å
72V94.7Very high95.3Very high28 Ų2836.9 Ų36.917%0.1718%0.182CC..SBendtrans-98.4171.8173.8-64.60000111.4I6 I76 I77 V80I6-V72 HydrophobicContact CG2-CG1 4.04Å; I6-V72 WeakPolarHBondContact O-CG1 3.46Å; V72-I76 HydrophobicContact CB-CB 4.06Å; V72-I76 HydrophobicContact CB-CG2 4.04Å; V72-I76 HydrophobicContact CG1-CG2 4.37Å; V72-I76 HydrophobicContact CG2-CB 3.94Å; V72-I76 HydrophobicContact CG2-CG2 3.99Å; V72-I77 HydrophobicContact CG2-CD1 3.38Å; V72-I77 HydrophobicContact CG2-CG1 3.99Å; V72-V80 HydrophobicContact CG2-CG2 4.38Å
73K90.8Very high95.2Very high110 Ų11040.4 Ų40.448%0.47820%0.199SC..  trans-65.6150.4175.6-62.3-178.6-177172.50110.5H75 I76K73-H75 VanDerWaalsContact C-N 3.3Å; K73-H75 VanDerWaalsContact CD-CE1 3.44Å; K73-H75 WeakPolarHBondContact CD-CE1 3.27Å; K73-H75 PolarHBondContact O-N 2.81Å; K73-H75 VanDerWaalsContact O-N 3.16Å; K73-I76 HydrophobicContact CB-CD1 3.93Å; K73-I76 HydrophobicContact CB-CG1 4.12Å; K73-I76 HydrophobicContact CD-CD1 4.44Å; K73-I76 HydrophobicContact CG-CD1 4.29Å; K73-I76 WeakPolarHBondContact O-CB 3.48Å; K73-I76 PolarHBondContact O-N 3.26Å
74P90Very high95.2Very high27 Ų2736.5 Ų36.518%0.17518%0.178CC..G310 helixtrans-50.3-45.8-177-31.237.6000114.3I76 I77 A98 A99 V101P74-I76 PolarHBondContact O-N 2.93Å; P74-I76 VanDerWaalsContact O-N 3.13Å; P74-I77 WeakPolarHBondContact O-CB 3.49Å; P74-I77 PolarHBondContact O-N 2.68Å; P74-I77 VanDerWaalsContact O-N 3.15Å; P74-A98 HydrophobicContact CG-CB 4.4Å; P74-A99 WeakPolarHBondContact CB-O 3.3Å; P74-A99 HydrophobicContact CG-CB 4.36Å; P74-A99 WeakPolarHBondContact CG-O 3.43Å; P74-V101 HydrophobicContact CB-CG2 3.74Å
75H87.2Confident95.2Very high42 Ų4230.7 Ų30.719%0.19416%0.156CC..G310 helixtrans-66.4-13.6179.662.8-100.8000115.3K73 F79 I279K73-H75 VanDerWaalsContact C-N 3.3Å; K73-H75 VanDerWaalsContact CD-CE1 3.44Å; K73-H75 WeakPolarHBondContact CD-CE1 3.27Å; K73-H75 PolarHBondContact O-N 2.81Å; K73-H75 VanDerWaalsContact O-N 3.16Å; H75-F79 WeakPolarHBondContact O-CD2 3.48Å; H75-F79 VanDerWaalsContact O-CE2 3.31Å; H75-F79 WeakPolarHBondContact O-CE2 3.45Å; H75-I279 HydrophobicContact CB-CD1 3.24Å; H75-I279 HydrophobicContact CB-CG2 4.25Å
76I91.6Very high95.1Very high58 Ų5833.8 Ų33.830%0.29718%0.176SC..G310 helixtrans-90.2-21.9179.6-56.7178.2000110.4V72 K73 P74 F79 V80V72-I76 HydrophobicContact CB-CB 4.06Å; V72-I76 HydrophobicContact CB-CG2 4.04Å; V72-I76 HydrophobicContact CG1-CG2 4.37Å; V72-I76 HydrophobicContact CG2-CB 3.94Å; V72-I76 HydrophobicContact CG2-CG2 3.99Å; K73-I76 HydrophobicContact CB-CD1 3.93Å; K73-I76 HydrophobicContact CB-CG1 4.12Å; K73-I76 HydrophobicContact CD-CD1 4.44Å; K73-I76 HydrophobicContact CG-CD1 4.29Å; K73-I76 WeakPolarHBondContact O-CB 3.48Å; K73-I76 PolarHBondContact O-N 3.26Å; P74-I76 PolarHBondContact O-N 2.93Å; P74-I76 VanDerWaalsContact O-N 3.13Å; I76-F79 PolarHBondContact O-N 3.04Å; I76-V80 HydrophobicContact CG2-CG2 3.86Å; I76-V80 PolarHBondContact O-N 3.47Å; I76-V80 VanDerWaalsContact O-N 3.11Å
77I94.4Very high95.1Very high1 Ų133.2 Ų33.21%0.00517%0.173CC..Hα-helixtrans-56.7-47.6-174.9-63.8-72.4000112.7L70 V72 P74 F79 V80 L81 A98 V101 I106L70-I77 HydrophobicContact CB-CD1 3.62Å; L70-I77 HydrophobicContact CD1-CD1 4.09Å; L70-I77 HydrophobicContact CG-CD1 4.47Å; V72-I77 HydrophobicContact CG2-CD1 3.38Å; V72-I77 HydrophobicContact CG2-CG1 3.99Å; P74-I77 WeakPolarHBondContact O-CB 3.49Å; P74-I77 PolarHBondContact O-N 2.68Å; P74-I77 VanDerWaalsContact O-N 3.15Å; I77-F79 VanDerWaalsContact C-N 3.31Å; I77-F79 PolarHBondContact O-N 2.83Å; I77-V80 PolarHBondContact O-N 3.43Å; I77-V80 VanDerWaalsContact O-N 3.14Å; I77-L81 HydrophobicContact CG2-CD1 3.61Å; I77-L81 HydrophobicContact CG2-CG 3.91Å; I77-L81 VanDerWaalsContact O-CG 3.32Å; I77-L81 WeakPolarHBondContact O-CG 3.28Å; I77-L81 PolarHBondContact O-N 3.46Å; I77-A98 HydrophobicContact CD1-CB 3.89Å; I77-A98 HydrophobicContact CG1-CB 3.63Å; I77-V101 HydrophobicContact CB-CG1 4.42Å; I77-V101 HydrophobicContact CB-CG2 4.48Å; I77-V101 HydrophobicContact CG1-CG2 4.15Å; I77-V101 HydrophobicContact CG2-CG1 4Å; I77-I106 HydrophobicContact CG2-CG1 4.43Å
78P92.3Very high95.1Very high31 Ų3133.2 Ų33.220%0.20117%0.173CC..Hα-helixtrans-56.5-44.4-179.1-26.235.7000112.9V80 L81 D82P78-V80 PolarHBondContact O-N 3.5Å; P78-L81 PolarHBondContact O-N 2.92Å; P78-D82 VanDerWaalsContact O-CG 3.29Å; P78-D82 PolarHBondContact O-N 2.92Å
79F92.9Very high95Very high118 Ų11836.8 Ų36.852%0.51819%0.189SC..Hα-helixtrans-65.7-39.6178.9-56.2-76.9000112.6H75 I76 I77 D82 E83H75-F79 WeakPolarHBondContact O-CD2 3.48Å; H75-F79 VanDerWaalsContact O-CE2 3.31Å; H75-F79 WeakPolarHBondContact O-CE2 3.45Å; I76-F79 PolarHBondContact O-N 3.04Å; I77-F79 VanDerWaalsContact C-N 3.31Å; I77-F79 PolarHBondContact O-N 2.83Å; F79-D82 PolarHBondContact O-N 3.37Å; F79-E83 WeakPolarHBondContact O-CB 3.32Å; F79-E83 PolarHBondContact O-N 2.88Å
80V96.1Very high94.9Very high6 Ų641.9 Ų41.94%0.03622%0.216CC..Hα-helixtrans-64.6-43.6175.8164.20000110.6I6 L70 V72 I76 I77 P78 E83 I84I6-V80 HydrophobicContact CD1-CG1 3.86Å; I6-V80 HydrophobicContact CG2-CG1 3.76Å; I6-V80 HydrophobicContact CG2-CG2 4.06Å; L70-V80 HydrophobicContact CD2-CG1 4.4Å; V72-V80 HydrophobicContact CG2-CG2 4.38Å; I76-V80 HydrophobicContact CG2-CG2 3.86Å; I76-V80 PolarHBondContact O-N 3.47Å; I76-V80 VanDerWaalsContact O-N 3.11Å; I77-V80 PolarHBondContact O-N 3.43Å; I77-V80 VanDerWaalsContact O-N 3.14Å; P78-V80 PolarHBondContact O-N 3.5Å; V80-E83 WeakPolarHBondContact O-CB 3.38Å; V80-E83 PolarHBondContact O-N 3.18Å; V80-I84 HydrophobicContact CG1-CD1 3.87Å; V80-I84 VanDerWaalsContact O-CG1 3.28Å; V80-I84 WeakPolarHBondContact O-CG1 3.38Å; V80-I84 PolarHBondContact O-N 3.33Å
81L96.4Very high94.8Very high5 Ų546 Ų463%0.02623%0.232CC..Hα-helixtrans-64.7-40.4178.7-66.2175.5000111.8L70 I77 P78 E83 G85 I106 K109 L110L70-L81 HydrophobicContact CD1-CD2 3.96Å; I77-L81 HydrophobicContact CG2-CD1 3.61Å; I77-L81 HydrophobicContact CG2-CG 3.91Å; I77-L81 VanDerWaalsContact O-CG 3.32Å; I77-L81 WeakPolarHBondContact O-CG 3.28Å; I77-L81 PolarHBondContact O-N 3.46Å; P78-L81 PolarHBondContact O-N 2.92Å; L81-E83 VanDerWaalsContact C-N 3.3Å; L81-E83 PolarHBondContact O-N 3.43Å; L81-G85 VanDerWaalsContact O-CA 3.32Å; L81-G85 WeakPolarHBondContact O-CA 3.4Å; L81-G85 PolarHBondContact O-N 3.22Å; L81-I106 HydrophobicContact CD1-CB 4.17Å; L81-I106 HydrophobicContact CD1-CG1 4.11Å; L81-I106 HydrophobicContact CD1-CG2 3.97Å; L81-I106 HydrophobicContact CD2-CG2 4.04Å; L81-K109 HydrophobicContact CB-CB 4.19Å; L81-K109 HydrophobicContact CD1-CB 4.07Å; L81-K109 HydrophobicContact CD1-CG 4.43Å; L81-L110 HydrophobicContact CD2-CD1 4.34Å; L81-L110 HydrophobicContact CD2-CD2 3.98Å; L81-L110 HydrophobicContact CD2-CG 4.18Å
82D94.8Very high94.9Very high72 Ų7245.4 Ų45.439%0.38523%0.226SC..Hα-helixtrans-63.3-36.4174.3-69.1-28.1000111.7P78 F79 K109P78-D82 VanDerWaalsContact O-CG 3.29Å; P78-D82 PolarHBondContact O-N 2.92Å; F79-D82 PolarHBondContact O-N 3.37Å; D82-K109 WeakPolarHBondContact OD1-CD 3.47Å; D82-K109 WeakPolarHBondContact OD1-CE 3.2Å; D82-K109 IonicContact OD1-NZ 3.78Å; D82-K109 PolarHBondContact OD1-NZ 2.65Å; D82-K109 IonicContact OD2-NZ 3.94Å; D82-K109 PolarHBondContact OD2-NZ 3.43Å
83E96.4Very high95.1Very high74 Ų7444.1 Ų44.135%0.34622%0.219SC..Hα-helixtrans-70.3-47.1179.2-175.5-165.8164.500112.9N58 K59 F79 V80 L81N58-E83 PolarHBondContact ND2-OE2 2.81Å; K59-E83 PolarHBondContact NZ-O 2.97Å; K59-E83 VanDerWaalsContact NZ-O 3.08Å; F79-E83 WeakPolarHBondContact O-CB 3.32Å; F79-E83 PolarHBondContact O-N 2.88Å; V80-E83 WeakPolarHBondContact O-CB 3.38Å; V80-E83 PolarHBondContact O-N 3.18Å; L81-E83 VanDerWaalsContact C-N 3.3Å; L81-E83 PolarHBondContact O-N 3.43Å
84I97.6Very high95.4Very high1 Ų139 Ų391%0.00520%0.196CC..Hα-helixtrans-97.3-15.7-170.375.4-173.9000113.8I6 N58 V62 L68 L70 V80 P86 D87 I88I6-I84 HydrophobicContact CD1-CD1 3.44Å; I6-I84 VanDerWaalsContact CD1-CD1 3.44Å; I6-I84 HydrophobicContact CD1-CG2 4.08Å; N58-I84 HydrophobicContact CB-CG2 3.7Å; V62-I84 HydrophobicContact CG2-CB 3.82Å; V62-I84 HydrophobicContact CG2-CD1 4.08Å; V62-I84 HydrophobicContact CG2-CG1 4.38Å; V62-I84 HydrophobicContact CG2-CG2 3.92Å; L68-I84 HydrophobicContact CD2-CD1 3.99Å; L70-I84 HydrophobicContact CD2-CD1 4.36Å; V80-I84 HydrophobicContact CG1-CD1 3.87Å; V80-I84 VanDerWaalsContact O-CG1 3.28Å; V80-I84 WeakPolarHBondContact O-CG1 3.38Å; V80-I84 PolarHBondContact O-N 3.33Å; I84-P86 VanDerWaalsContact C-CD 3.46Å; I84-P86 VanDerWaalsContact C-N 3.32Å; I84-D87 WeakPolarHBondContact O-CA 3.25Å; I84-D87 WeakPolarHBondContact O-CB 3.39Å; I84-D87 PolarHBondContact O-N 2.98Å; I84-I88 HydrophobicContact CD1-CD1 4.3Å; I84-I88 HydrophobicContact CG1-CD1 4.26Å; I84-I88 HydrophobicContact CG1-CG1 4.42Å; I84-I88 PolarHBondContact O-N 3.46Å
85G96.9Very high95.8Very high0 Ų037.7 Ų37.70%019%0.188CC..G310 helixtrans-48-45.8-176.200000114.1L81 D87 I88 H113L81-G85 VanDerWaalsContact O-CA 3.32Å; L81-G85 WeakPolarHBondContact O-CA 3.4Å; L81-G85 PolarHBondContact O-N 3.22Å; G85-D87 VanDerWaalsContact C-N 3.25Å; G85-D87 PolarHBondContact O-N 2.79Å; G85-I88 PolarHBondContact O-N 3.11Å; G85-H113 WeakPolarHBondContact O-CB 3.27Å
86P97.6Very high96.4Very high65 Ų6535.7 Ų35.742%0.42218%0.179SC..G310 helixtrans-60.8-29.4175.2-25.334.9000114.9I84 R114I84-P86 VanDerWaalsContact C-CD 3.46Å; I84-P86 VanDerWaalsContact C-N 3.32Å; P86-R114 PolarHBondContact O-NH2 3.15Å
87D97.6Very high96.6Very high41 Ų4133.9 Ų33.922%0.21917%0.171CC..G310 helixtrans-91.1-9.9-175.8-55.7-77.4000112.7K59 V62 I84 G85K59-D87 WeakPolarHBondContact CG-OD2 3.36Å; K59-D87 IonicContact NZ-OD2 3.79Å; K59-D87 PolarHBondContact NZ-OD2 2.85Å; V62-D87 HydrophobicContact CG1-CB 4.29Å; I84-D87 WeakPolarHBondContact O-CA 3.25Å; I84-D87 WeakPolarHBondContact O-CB 3.39Å; I84-D87 PolarHBondContact O-N 2.98Å; G85-D87 VanDerWaalsContact C-N 3.25Å; G85-D87 PolarHBondContact O-N 2.79Å
88I97.8Very high96.5Very high3 Ų334.1 Ų34.12%0.01517%0.173CC..  trans-63.6150.1170.3-60.6-58.1000109.2V62 L68 I84 G85 H92 I94 L110 R114V62-I88 HydrophobicContact CG1-CD1 3.87Å; V62-I88 HydrophobicContact CG2-CD1 4.47Å; L68-I88 HydrophobicContact CD2-CD1 4.15Å; I84-I88 HydrophobicContact CD1-CD1 4.3Å; I84-I88 HydrophobicContact CG1-CD1 4.26Å; I84-I88 HydrophobicContact CG1-CG1 4.42Å; I84-I88 PolarHBondContact O-N 3.46Å; G85-I88 PolarHBondContact O-N 3.11Å; I88-H92 HydrophobicContact CG2-CB 4.4Å; I88-I94 HydrophobicContact CD1-CD1 3.97Å; I88-I94 HydrophobicContact CD1-CG1 4.36Å; I88-I94 HydrophobicContact CG1-CD1 4.21Å; I88-I94 HydrophobicContact CG2-CD1 3.94Å; I88-L110 HydrophobicContact CG1-CD2 4.11Å; I88-R114 HydrophobicContact CB-CG 4.37Å; I88-R114 HydrophobicContact CG2-CG 4.22Å; I88-R114 PolarHBondContact O-NE 3.5Å; I88-R114 PolarHBondContact O-NH2 3.05Å
89E97.3Very high96.3Very high75 Ų7534.4 Ų34.435%0.3518%0.178SC..  trans-146.7162.9-175.8-64.5179.4-120.900108R91 H92E89-R91 HydrophobicContact CB-CG 4.44Å; E89-R91 PolarHBondContact O-N 2.98Å; E89-R91 IonicContact OE1-CZ 3.3Å; E89-R91 VanDerWaalsContact OE1-CZ 3.3Å; E89-R91 IonicContact OE1-NH1 2.79Å; E89-R91 PolarHBondContact OE1-NH1 2.73Å; E89-R91 IonicContact OE1-NH2 2.96Å; E89-R91 PolarHBondContact OE1-NH2 3.04Å; E89-R91 IonicContact OE2-CZ 3.78Å; E89-R91 IonicContact OE2-NH1 2.71Å; E89-R91 PolarHBondContact OE2-NH1 3.15Å; E89-H92 PolarHBondContact N-ND1 2.62Å; E89-H92 WeakPolarHBondContact O-CB 3.38Å; E89-H92 PolarHBondContact O-N 2.62Å; E89-H92 PolarHBondContact O-ND1 3.47Å
90D95.8Very high96Very high106 Ų10628.9 Ų28.957%0.56715%0.154SC*.THydrogen-bonded Turntrans-60.4-25.2-172.5-54.4-22.4000113.7H92 R118D90-H92 VanDerWaalsContact C-N 3.26Å; D90-H92 PolarHBondContact O-N 3.01Å; D90-R118 PolarHBondContact O-NH1 3.49Å
91R96.1Very high95.9Very high88 Ų8828.9 Ų28.933%0.33215%0.154SC..THydrogen-bonded Turntrans-66.7-26.4175.671.4164.5-177.7-79.6-10.4113.4E89 R118E89-R91 HydrophobicContact CB-CG 4.44Å; E89-R91 PolarHBondContact O-N 2.98Å; E89-R91 IonicContact OE1-CZ 3.3Å; E89-R91 VanDerWaalsContact OE1-CZ 3.3Å; E89-R91 IonicContact OE1-NH1 2.79Å; E89-R91 PolarHBondContact OE1-NH1 2.73Å; E89-R91 IonicContact OE1-NH2 2.96Å; E89-R91 PolarHBondContact OE1-NH2 3.04Å; E89-R91 IonicContact OE2-CZ 3.78Å; E89-R91 IonicContact OE2-NH1 2.71Å; E89-R91 PolarHBondContact OE2-NH1 3.15Å; R91-R118 VanDerWaalsContact C-NH1 3.25Å; R91-R118 PolarHBondContact O-NH1 3.47Å
92H98.3Very high95.9Very high2 Ų229.5 Ų29.51%0.00916%0.158CC..PPolyproline II helixtrans-79125.8-167.5-64.2112.4000111.4V62 S65 D66 I88 E89 D90V62-H92 PolarHBondContact O-NE2 3.07Å; S65-H92 PolarHBondContact O-CD2 3.39Å; S65-H92 PolarHBondContact O-NE2 2.93Å; D66-H92 WeakPolarHBondContact O-CA 3.49Å; I88-H92 HydrophobicContact CG2-CB 4.4Å; E89-H92 PolarHBondContact N-ND1 2.62Å; E89-H92 WeakPolarHBondContact O-CB 3.38Å; E89-H92 PolarHBondContact O-N 2.62Å; E89-H92 PolarHBondContact O-ND1 3.47Å; D90-H92 VanDerWaalsContact C-N 3.26Å; D90-H92 PolarHBondContact O-N 3.01Å
93L98.5Very high96Very high1 Ų126.4 Ų26.41%0.00514%0.142CC..EExtended strand (participates in β ladder)trans-97.8117.4166.117861.1000109.4D66 V67 L68 V95 R118 M120 D147 L150D66-L93 PolarHBondContact O-N 3.03Å; V67-L93 CarbonylContact C-O 3.53Å; V67-L93 WeakPolarHBondContact CA-O 3.34Å; V67-L93 HydrophobicContact CG1-CD2 4.4Å; V67-L93 HydrophobicContact CG2-CB 4.32Å; V67-L93 HydrophobicContact CG2-CD2 4.35Å; L68-L93 PolarHBondContact N-O 3.39Å; L93-V95 HydrophobicContact CD2-CG2 4.49Å; L93-V95 HydrophobicContact CG-CG2 4.17Å; L93-R118 HydrophobicContact CD1-CB 4.1Å; L93-M120 HydrophobicContact CD1-CE 4.07Å; L93-M120 HydrophobicContact CD1-CG 4.03Å; L93-M120 HydrophobicContact CD1-SD 4.11Å; L93-M120 HydrophobicContact CD2-SD 4.36Å; L93-D147 HydrophobicContact CD1-CB 3.98Å; L93-D147 HydrophobicContact CD2-CB 4.1Å; L93-L150 HydrophobicContact CD2-CD2 4.43Å
94I98.6Very high96Very high2 Ų226.8 Ų26.81%0.0115%0.152CC..EExtended strand (participates in β ladder)trans-98.5117.5-175.1-58.8162.4000108.8L70 I88 L110 R118 V119 M120L70-I94 HydrophobicContact CD1-CG2 3.82Å; L70-I94 HydrophobicContact CG-CG2 4.07Å; I88-I94 HydrophobicContact CD1-CD1 3.97Å; I88-I94 HydrophobicContact CD1-CG1 4.36Å; I88-I94 HydrophobicContact CG1-CD1 4.21Å; I88-I94 HydrophobicContact CG2-CD1 3.94Å; I94-L110 HydrophobicContact CD1-CD1 3.32Å; I94-R118 PolarHBondContact N-O 3.12Å; I94-V119 HydrophobicContact CB-CG2 4.41Å; I94-V119 CarbonylContact O-C 3.56Å; I94-V119 WeakPolarHBondContact O-CA 3.5Å; I94-M120 PolarHBondContact O-N 2.91Å
95V98.6Very high95.9Very high0 Ų028.2 Ų28.20%016%0.163CC..EExtended strand (participates in β ladder)trans-113.7104.5-177.5-173.80000109.1V67 L68 F69 L70 L93 M120 C122 L151V67-V95 HydrophobicContact CG1-CG2 3.77Å; L68-V95 PolarHBondContact O-N 2.82Å; F69-V95 CarbonylContact C-O 3.57Å; F69-V95 VanDerWaalsContact CA-O 3.29Å; F69-V95 WeakPolarHBondContact CA-O 3.38Å; F69-V95 HydrophobicContact CD1-CB 3.86Å; F69-V95 HydrophobicContact CD1-CG1 3.78Å; F69-V95 HydrophobicContact CE1-CB 3.97Å; F69-V95 HydrophobicContact CE1-CG1 3.63Å; F69-V95 HydrophobicContact CE1-CG2 4.48Å; F69-V95 HydrophobicContact CG-CB 4.4Å; F69-V95 HydrophobicContact CZ-CG1 4.5Å; L70-V95 PolarHBondContact N-O 3.49Å; L93-V95 HydrophobicContact CD2-CG2 4.49Å; L93-V95 HydrophobicContact CG-CG2 4.17Å; V95-M120 CarbonylContact C-O 3.46Å; V95-M120 WeakPolarHBondContact CA-O 3.44Å; V95-C122 HydrophobicContact CG1-CB 3.58Å; V95-L151 HydrophobicContact CG1-CD1 4.08Å; V95-L151 HydrophobicContact CG1-CD2 4.01Å; V95-L151 HydrophobicContact CG2-CD1 4.06Å; V95-L151 HydrophobicContact CG2-CD2 4.3Å
96S98.1Very high95.9Very high0 Ų028.2 Ų28.20%016%0.163CC..EExtended strand (participates in β ladder)trans-82.8124.8177-178.20000111.3A98 M120 C122S96-A98 PolarHBondContact OG-N 2.8Å; S96-M120 PolarHBondContact N-O 3.2Å; S96-C122 PolarHBondContact O-N 3.24Å
97C96.2Very high95.8Very high21 Ų2125.7 Ų25.714%0.14215%0.145CC..  trans-103.28.3171.8-610000113.1L11 L70 C122L11-C97 HydrophobicContact CD2-CB 3.51Å; L70-C97 PolarHBondContact O-N 2.93Å; C97-C122 WeakPolarHBondContact CA-O 3.34Å
98A91.9Very high95.8Very high5 Ų531.1 Ų31.14%0.04117%0.167CC..  trans-78.7124.3-175.200000111.2P74 I77 S96 G100 V101P74-A98 HydrophobicContact CG-CB 4.4Å; I77-A98 HydrophobicContact CD1-CB 3.89Å; I77-A98 HydrophobicContact CG1-CB 3.63Å; S96-A98 PolarHBondContact OG-N 2.8Å; A98-G100 PolarHBondContact O-N 3.35Å; A98-V101 HydrophobicContact CB-CB 4.02Å; A98-V101 HydrophobicContact CB-CG2 3.6Å; A98-V101 PolarHBondContact O-N 3Å
99A88.4Confident95.6Very high38 Ų3833 Ų3331%0.31418%0.175SC..THydrogen-bonded Turntrans-59.9129.1178.900000111.8P74 V101 T267P74-A99 WeakPolarHBondContact CB-O 3.3Å; P74-A99 HydrophobicContact CG-CB 4.36Å; P74-A99 WeakPolarHBondContact CG-O 3.43Å; A99-V101 PolarHBondContact O-N 2.92Å; A99-T267 HydrophobicContact CB-CG2 4.39Å
100G87.1Confident95.6Very high1 Ų129.4 Ų29.41%0.0116%0.158CC..THydrogen-bonded Turntrans70.47.6179.100000115.1A98 Q271A98-G100 PolarHBondContact O-N 3.35Å; G100-Q271 WeakPolarHBondContact O-CA 3.29Å; G100-Q271 WeakPolarHBondContact O-CB 3.42Å; G100-Q271 WeakPolarHBondContact O-CG 3.26Å
101V93.5Very high95.6Very high6 Ų628.2 Ų28.24%0.03615%0.151CC..  trans-92.4115.7173.9-176.40000109P74 I77 A98 A99 S105 I106 R121P74-V101 HydrophobicContact CB-CG2 3.74Å; I77-V101 HydrophobicContact CB-CG1 4.42Å; I77-V101 HydrophobicContact CB-CG2 4.48Å; I77-V101 HydrophobicContact CG1-CG2 4.15Å; I77-V101 HydrophobicContact CG2-CG1 4Å; A98-V101 HydrophobicContact CB-CB 4.02Å; A98-V101 HydrophobicContact CB-CG2 3.6Å; A98-V101 PolarHBondContact O-N 3Å; A99-V101 PolarHBondContact O-N 2.92Å; V101-S105 WeakPolarHBondContact CG1-OG 3.32Å; V101-I106 HydrophobicContact CG1-CD1 3.9Å; V101-I106 HydrophobicContact CG1-CG1 3.79Å; V101-R121 WeakPolarHBondContact O-CD 3.3Å; V101-R121 PolarHBondContact O-NE 2.78Å
102T95.9Very high95.5Very high18 Ų1830.1 Ų30.111%0.1116%0.164CC..  trans-76.6153-175.559.70000112.5S104 S105 I106 E166 Q271T102-S104 PolarHBondContact O-N 3.32Å; T102-S105 PolarHBondContact N-OG 2.83Å; T102-S105 PolarHBondContact O-N 3.47Å; T102-S105 PolarHBondContact O-OG 2.89Å; T102-S105 VanDerWaalsContact OG1-CB 3.28Å; T102-S105 WeakPolarHBondContact OG1-CB 3.42Å; T102-S105 PolarHBondContact OG1-N 3.16Å; T102-S105 PolarHBondContact OG1-OG 3.47Å; T102-I106 WeakPolarHBondContact O-CG1 3.37Å; T102-I106 PolarHBondContact O-N 3.41Å; T102-E166 WeakPolarHBondContact CA-OE1 3.48Å; T102-Q271 VanDerWaalsContact CG2-CD 3.49Å; T102-Q271 HydrophobicContact CG2-CG 4.15Å
103I97.5Very high95.4Very high8 Ų833.6 Ų33.64%0.04118%0.18CC..Hα-helixtrans-53.1-48.9168.6-66.1175.9000109.6S105 I106 E107 V119 R121 A138 E166I103-S105 VanDerWaalsContact C-N 3.31Å; I103-S105 PolarHBondContact O-N 2.77Å; I103-I106 PolarHBondContact O-N 2.87Å; I103-E107 HydrophobicContact CG2-CG 4.05Å; I103-E107 PolarHBondContact O-N 3.03Å; I103-V119 HydrophobicContact CG2-CG1 4.33Å; I103-R121 HydrophobicContact CD1-CB 3.98Å; I103-R121 HydrophobicContact CG1-CB 3.55Å; I103-A138 HydrophobicContact CD1-CB 3.97Å; I103-E166 HydrophobicContact CD1-CG 4.03Å; I103-E166 HydrophobicContact CG1-CG 4.29Å; I103-E166 PolarHBondContact N-OE1 3.15Å
104S96.5Very high95.2Very high81 Ų8137.6 Ų37.657%0.56620%0.195SC*.Hα-helixtrans-56-42.3-179.3-175.10000112.9T102 I106 K108T102-S104 PolarHBondContact O-N 3.32Å; S104-I106 VanDerWaalsContact C-N 3.33Å; S104-I106 PolarHBondContact O-N 2.85Å; S104-K108 WeakPolarHBondContact O-CB 3.16Å; S104-K108 PolarHBondContact O-N 3.28Å
105S94.8Very high94.9Very high32 Ų3241.9 Ų41.922%0.22423%0.225CC..Hα-helixtrans-64.3-36.917871.90000112.7V101 T102 I103V101-S105 WeakPolarHBondContact CG1-OG 3.32Å; T102-S105 PolarHBondContact N-OG 2.83Å; T102-S105 PolarHBondContact O-N 3.47Å; T102-S105 PolarHBondContact O-OG 2.89Å; T102-S105 VanDerWaalsContact OG1-CB 3.28Å; T102-S105 WeakPolarHBondContact OG1-CB 3.42Å; T102-S105 PolarHBondContact OG1-N 3.16Å; T102-S105 PolarHBondContact OG1-OG 3.47Å; I103-S105 VanDerWaalsContact C-N 3.31Å; I103-S105 PolarHBondContact O-N 2.77Å
106I96.9Very high94.8Very high0 Ų045.2 Ų45.20%025%0.246CC..Hα-helixtrans-73.1-50.4179.4-63160.9000110I77 L81 V101 T102 I103 S104 K108 K109 L110 V119I77-I106 HydrophobicContact CG2-CG1 4.43Å; L81-I106 HydrophobicContact CD1-CB 4.17Å; L81-I106 HydrophobicContact CD1-CG1 4.11Å; L81-I106 HydrophobicContact CD1-CG2 3.97Å; L81-I106 HydrophobicContact CD2-CG2 4.04Å; V101-I106 HydrophobicContact CG1-CD1 3.9Å; V101-I106 HydrophobicContact CG1-CG1 3.79Å; T102-I106 WeakPolarHBondContact O-CG1 3.37Å; T102-I106 PolarHBondContact O-N 3.41Å; I103-I106 PolarHBondContact O-N 2.87Å; S104-I106 VanDerWaalsContact C-N 3.33Å; S104-I106 PolarHBondContact O-N 2.85Å; I106-K108 VanDerWaalsContact C-N 3.32Å; I106-K108 PolarHBondContact O-N 3.43Å; I106-K109 PolarHBondContact O-N 2.85Å; I106-L110 HydrophobicContact CG2-CD1 3.68Å; I106-L110 HydrophobicContact CG2-CG 4.33Å; I106-L110 WeakPolarHBondContact O-CG 3.09Å; I106-L110 PolarHBondContact O-N 2.9Å; I106-V119 HydrophobicContact CB-CG1 4.16Å; I106-V119 HydrophobicContact CD1-CG1 4.29Å; I106-V119 HydrophobicContact CG2-CG1 3.82Å; I106-V119 HydrophobicContact CG2-CG2 3.99Å
107E97.4Very high94.8Very high12 Ų1245.4 Ų45.46%0.05625%0.247CC..Hα-helixtrans-58.8-43.9178.6-72.7-175.316400111I103 K109 L110 L111 V119 G140 T141I103-E107 HydrophobicContact CG2-CG 4.05Å; I103-E107 PolarHBondContact O-N 3.03Å; E107-K109 PolarHBondContact O-N 2.78Å; E107-L110 PolarHBondContact O-N 3.43Å; E107-L110 VanDerWaalsContact O-N 3.13Å; E107-L111 HydrophobicContact CB-CD1 4.41Å; E107-L111 VanDerWaalsContact O-CB 3.26Å; E107-L111 WeakPolarHBondContact O-CB 3.44Å; E107-L111 WeakPolarHBondContact O-CG 3.37Å; E107-L111 PolarHBondContact O-N 3.02Å; E107-V119 HydrophobicContact CG-CB 4.04Å; E107-V119 HydrophobicContact CG-CG2 3.84Å; E107-G140 WeakPolarHBondContact OE1-CA 3.48Å; E107-T141 PolarHBondContact OE1-N 3.11Å; E107-T141 WeakPolarHBondContact OE2-CB 3.45Å; E107-T141 PolarHBondContact OE2-OG1 3.26Å
108K95.6Very high94.9Very high154 Ų15446.6 Ų46.667%0.6725%0.248SC*.Hα-helixtrans-55.3-37.1177.7-178.6-179.2177.5-175.10113.4S104 I106S104-K108 WeakPolarHBondContact O-CB 3.16Å; S104-K108 PolarHBondContact O-N 3.28Å; I106-K108 VanDerWaalsContact C-N 3.32Å; I106-K108 PolarHBondContact O-N 3.43Å
109K94.8Very high95.2Very high42 Ų4246.3 Ų46.318%0.18325%0.246CC..Hα-helixtrans-74.7-47.5176.1-80.3-87.3-176.2173.40110.9L81 D82 I106 E107 L111 Q112L81-K109 HydrophobicContact CB-CB 4.19Å; L81-K109 HydrophobicContact CD1-CB 4.07Å; L81-K109 HydrophobicContact CD1-CG 4.43Å; D82-K109 WeakPolarHBondContact OD1-CD 3.47Å; D82-K109 WeakPolarHBondContact OD1-CE 3.2Å; D82-K109 IonicContact OD1-NZ 3.78Å; D82-K109 PolarHBondContact OD1-NZ 2.65Å; D82-K109 IonicContact OD2-NZ 3.94Å; D82-K109 PolarHBondContact OD2-NZ 3.43Å; I106-K109 PolarHBondContact O-N 2.85Å; E107-K109 PolarHBondContact O-N 2.78Å; K109-L111 VanDerWaalsContact C-N 3.34Å; K109-L111 PolarHBondContact O-N 3.3Å; K109-Q112 WeakPolarHBondContact O-CB 3.31Å; K109-Q112 WeakPolarHBondContact O-CG 3.4Å; K109-Q112 PolarHBondContact O-N 3.14Å
110L96.3Very high95.6Very high1 Ų144.5 Ų44.51%0.00523%0.231CC..Hα-helixtrans-69.9-29-176.7-66.3176.1000113.7L81 I88 I94 I106 E107 Q112 H113 R114 P117 V119L81-L110 HydrophobicContact CD2-CD1 4.34Å; L81-L110 HydrophobicContact CD2-CD2 3.98Å; L81-L110 HydrophobicContact CD2-CG 4.18Å; I88-L110 HydrophobicContact CG1-CD2 4.11Å; I94-L110 HydrophobicContact CD1-CD1 3.32Å; I106-L110 HydrophobicContact CG2-CD1 3.68Å; I106-L110 HydrophobicContact CG2-CG 4.33Å; I106-L110 WeakPolarHBondContact O-CG 3.09Å; I106-L110 PolarHBondContact O-N 2.9Å; E107-L110 PolarHBondContact O-N 3.43Å; E107-L110 VanDerWaalsContact O-N 3.13Å; L110-Q112 PolarHBondContact O-N 3.31Å; L110-Q112 VanDerWaalsContact O-N 3.11Å; L110-H113 PolarHBondContact O-N 2.87Å; L110-R114 PolarHBondContact O-N 3.28Å; L110-P117 HydrophobicContact CB-CB 3.78Å; L110-P117 HydrophobicContact CB-CG 4Å; L110-P117 HydrophobicContact CD1-CB 4.04Å; L110-V119 HydrophobicContact CD1-CG2 3.84Å
111L96.6Very high96.2Very high80 Ų8044.8 Ų44.842%0.41923%0.232SC..THydrogen-bonded Turntrans-61-18176.1-78.5168000113.4E107 K109 H113 R114 S115 P117E107-L111 HydrophobicContact CB-CD1 4.41Å; E107-L111 VanDerWaalsContact O-CB 3.26Å; E107-L111 WeakPolarHBondContact O-CB 3.44Å; E107-L111 WeakPolarHBondContact O-CG 3.37Å; E107-L111 PolarHBondContact O-N 3.02Å; K109-L111 VanDerWaalsContact C-N 3.34Å; K109-L111 PolarHBondContact O-N 3.3Å; L111-H113 PolarHBondContact O-N 3.13Å; L111-R114 VanDerWaalsContact CA-O 3.26Å; L111-R114 WeakPolarHBondContact CA-O 3.35Å; L111-S115 WeakPolarHBondContact CD2-O 3.34Å; L111-P117 HydrophobicContact CD2-CG 4.11Å; L111-P117 HydrophobicContact CG-CG 4.11Å
112Q94.8Very high96.3Very high129 Ų12944.7 Ų44.760%0.60323%0.232SC*.THydrogen-bonded Turntrans-71-19.9173.1-57.8176.724.300112.6K109 L110K109-Q112 WeakPolarHBondContact O-CB 3.31Å; K109-Q112 WeakPolarHBondContact O-CG 3.4Å; K109-Q112 PolarHBondContact O-N 3.14Å; L110-Q112 PolarHBondContact O-N 3.31Å; L110-Q112 VanDerWaalsContact O-N 3.11Å
113H95.1Very high96.4Very high75 Ų7545 Ų4535%0.34723%0.232SC..THydrogen-bonded Turntrans-118.6-27.4-176-58.2-69000113G85 L110 L111G85-H113 WeakPolarHBondContact O-CB 3.27Å; L110-H113 PolarHBondContact O-N 2.87Å; L111-H113 PolarHBondContact O-N 3.13Å
114R94.1Very high96.3Very high84 Ų8445.1 Ų45.132%0.31723%0.233SC..  trans-140.4136.3-175.9-63.7-63.4166.6176.10.6111.4P86 I88 L110 L111 T116P86-R114 PolarHBondContact O-NH2 3.15Å; I88-R114 HydrophobicContact CB-CG 4.37Å; I88-R114 HydrophobicContact CG2-CG 4.22Å; I88-R114 PolarHBondContact O-NE 3.5Å; I88-R114 PolarHBondContact O-NH2 3.05Å; L110-R114 PolarHBondContact O-N 3.28Å; L111-R114 VanDerWaalsContact CA-O 3.26Å; L111-R114 WeakPolarHBondContact CA-O 3.35Å; R114-T116 PolarHBondContact O-N 2.82Å
115S93.6Very high96.3Very high93 Ų9342 Ų4265%0.6521%0.21SC*.SBendtrans-71.2-28.6-177.247.80000114.2L111L111-S115 WeakPolarHBondContact CD2-O 3.34Å
116T96.3Very high96.2Very high69 Ų6943.9 Ų43.942%0.42322%0.22SC..SBendtrans-138.263.7-17250.10000111R114 R118R114-T116 PolarHBondContact O-N 2.82Å; T116-R118 PolarHBondContact O-N 2.74Å
117P97.1Very high96.2Very high4 Ų445.2 Ų45.23%0.02623%0.229CC..  trans-68.8121.4-179.629.2-34.2000110.9L110 L111 V119L110-P117 HydrophobicContact CB-CB 3.78Å; L110-P117 HydrophobicContact CB-CG 4Å; L110-P117 HydrophobicContact CD1-CB 4.04Å; L111-P117 HydrophobicContact CD2-CG 4.11Å; L111-P117 HydrophobicContact CG-CG 4.11Å; P117-V119 HydrophobicContact CB-CG2 4.22Å; P117-V119 PolarHBondContact O-N 3.14Å
118R98.3Very high96.1Very high46 Ų4644.6 Ų44.617%0.17423%0.226CC..EExtended strand (participates in β ladder)trans-79.2102.2176-70.3158.862.1-148.1-0.2109.8D90 R91 L93 I94 T116 H142 D147D90-R118 PolarHBondContact O-NH1 3.49Å; R91-R118 VanDerWaalsContact C-NH1 3.25Å; R91-R118 PolarHBondContact O-NH1 3.47Å; L93-R118 HydrophobicContact CD1-CB 4.1Å; I94-R118 PolarHBondContact N-O 3.12Å; T116-R118 PolarHBondContact O-N 2.74Å; R118-H142 WeakPolarHBondContact CG-O 3.26Å; R118-D147 IonicContact CZ-OD1 3.58Å; R118-D147 IonicContact CZ-OD2 3.69Å; R118-D147 IonicContact NE-OD1 2.61Å; R118-D147 PolarHBondContact NE-OD1 3.23Å; R118-D147 IonicContact NE-OD2 2.66Å; R118-D147 PolarHBondContact NE-OD2 3.04Å; R118-D147 VanDerWaalsContact NH2-CG 3.34Å; R118-D147 IonicContact NH2-OD1 3.61Å; R118-D147 PolarHBondContact NH2-OD1 2.96Å; R118-D147 IonicContact NH2-OD2 2.72Å; R118-D147 PolarHBondContact NH2-OD2 3.13Å
119V98.4Very high95.9Very high0 Ų039.5 Ų39.50%021%0.208CC..EExtended strand (participates in β ladder)trans-118.1142.7-175.3-179.40000110.5I94 I103 I106 E107 L110 P117 G140I94-V119 HydrophobicContact CB-CG2 4.41Å; I94-V119 CarbonylContact O-C 3.56Å; I94-V119 WeakPolarHBondContact O-CA 3.5Å; I103-V119 HydrophobicContact CG2-CG1 4.33Å; I106-V119 HydrophobicContact CB-CG1 4.16Å; I106-V119 HydrophobicContact CD1-CG1 4.29Å; I106-V119 HydrophobicContact CG2-CG1 3.82Å; I106-V119 HydrophobicContact CG2-CG2 3.99Å; E107-V119 HydrophobicContact CG-CB 4.04Å; E107-V119 HydrophobicContact CG-CG2 3.84Å; L110-V119 HydrophobicContact CD1-CG2 3.84Å; P117-V119 HydrophobicContact CB-CG2 4.22Å; P117-V119 PolarHBondContact O-N 3.14Å; V119-G140 VanDerWaalsContact O-CA 3.23Å; V119-G140 WeakPolarHBondContact O-CA 3.25Å; V119-G140 PolarHBondContact O-N 3.07Å
120M98.2Very high95.8Very high0 Ų042.1 Ų42.10%023%0.227CC..EExtended strand (participates in β ladder)trans-134.1145.9168.8-65.3-171.217200110L93 I94 V95 S96 A138 T139 A143 D147 L151L93-M120 HydrophobicContact CD1-CE 4.07Å; L93-M120 HydrophobicContact CD1-CG 4.03Å; L93-M120 HydrophobicContact CD1-SD 4.11Å; L93-M120 HydrophobicContact CD2-SD 4.36Å; I94-M120 PolarHBondContact O-N 2.91Å; V95-M120 CarbonylContact C-O 3.46Å; V95-M120 WeakPolarHBondContact CA-O 3.44Å; S96-M120 PolarHBondContact N-O 3.2Å; M120-A138 WeakPolarHBondContact CA-O 3.15Å; M120-T139 HydrophobicContact CE-CG2 3.93Å; M120-A143 HydrophobicContact CE-CB 3.67Å; M120-D147 VanDerWaalsContact CE-C 3.47Å; M120-D147 HydrophobicContact CE-CB 3.3Å; M120-L151 HydrophobicContact CB-CD2 4.04Å; M120-L151 HydrophobicContact CG-CD2 4.41Å; M120-L151 HydrophobicContact SD-CB 3.96Å; M120-L151 HydrophobicContact SD-CD2 3.49Å; M120-L151 WeakPolarHBondContact SD-CD2 3.3Å; M120-L151 HydrophobicContact SD-CG 4.36Å
121R98.1Very high95.7Very high6 Ų647.1 Ų47.12%0.02325%0.246CC..EExtended strand (participates in β ladder)trans-104.6128.8169.2-177.8176.6175.3-167.3-6.5108.4V101 I103 Y137 A138 E166 I169 D170V101-R121 WeakPolarHBondContact O-CD 3.3Å; V101-R121 PolarHBondContact O-NE 2.78Å; I103-R121 HydrophobicContact CD1-CB 3.98Å; I103-R121 HydrophobicContact CG1-CB 3.55Å; R121-Y137 CarbonylContact O-C 3.5Å; R121-Y137 WeakPolarHBondContact O-CA 3.26Å; R121-A138 PolarHBondContact N-O 3.32Å; R121-A138 PolarHBondContact O-N 3.29Å; R121-E166 WeakPolarHBondContact CD-OE1 3.3Å; R121-E166 IonicContact CZ-OE1 3.98Å; R121-E166 IonicContact NE-OE1 2.79Å; R121-E166 IonicContact NH1-OE1 2.77Å; R121-E166 PolarHBondContact NH1-OE1 3Å; R121-I169 HydrophobicContact CB-CD1 4.21Å; R121-I169 HydrophobicContact CG-CD1 3.88Å; R121-D170 IonicContact CZ-OD1 2.73Å; R121-D170 IonicContact NH2-OD1 3.55Å; R121-D170 PolarHBondContact NH2-OD1 3.4Å
122C96.9Very high95.7Very high4 Ų450.2 Ų50.23%0.02726%0.258CS..EExtended strand (participates in β ladder)trans-125.3136.5-177.8174.20000109.2V95 S96 C97 T135 V136V95-C122 HydrophobicContact CG1-CB 3.58Å; S96-C122 PolarHBondContact O-N 3.24Å; C97-C122 WeakPolarHBondContact CA-O 3.34Å; C122-T135 WeakPolarHBondContact SG-CG2 3.38Å; C122-V136 WeakPolarHBondContact CA-O 3.18Å
123M96.3Very high95.9Very high25 Ų2544.2 Ų44.212%0.12323%0.231CC..EExtended strand (participates in β ladder)trans-121.4122170.2-167.9-61.1134.900107.6T135 V136 I169 V172 T173M123-T135 CarbonylContact O-C 3.59Å; M123-T135 VanDerWaalsContact O-CA 3.24Å; M123-T135 WeakPolarHBondContact O-CA 3.39Å; M123-V136 HydrophobicContact CB-CG2 3.94Å; M123-V136 PolarHBondContact N-O 3.38Å; M123-V136 PolarHBondContact O-N 3.26Å; M123-I169 HydrophobicContact CB-CG2 3.71Å; M123-I169 HydrophobicContact CG-CG2 4.2Å; M123-V172 HydrophobicContact SD-CG1 4.31Å; M123-T173 HydrophobicContact CE-CG2 4.2Å; M123-T173 VanDerWaalsContact CG-OG1 3.29Å; M123-T173 WeakPolarHBondContact CG-OG1 3.49Å
124T97.2Very high96Very high11 Ų1141.8 Ų41.87%0.06722%0.224CC..  trans-139.2174178-164.80000110.2L11 L15 V128 T135 M155L11-T124 HydrophobicContact CD1-CG2 3.47Å; L11-T124 VanDerWaalsContact CD1-CG2 3.47Å; L11-T124 HydrophobicContact CD2-CG2 4.49Å; L15-T124 HydrophobicContact CD2-CG2 4.39Å; T124-V128 VanDerWaalsContact OG1-CG1 3.23Å; T124-V128 WeakPolarHBondContact OG1-CG1 3.37Å; T124-T135 WeakPolarHBondContact CB-OG1 3.21Å; T124-T135 PolarHBondContact OG1-OG1 3.36Å; T124-M155 HydrophobicContact CG2-CE 4.29Å
125N96.2Very high96.2Very high15 Ų1537.8 Ų37.88%0.0821%0.209CC..  trans-128.8166.3-175.864.88.4000112.6P127 V128 G133 A134 S176 P180N125-P127 VanDerWaalsContact C-N 3.35Å; N125-P127 WeakPolarHBondContact OD1-CD 3.33Å; N125-V128 WeakPolarHBondContact O-CG1 3.23Å; N125-V128 WeakPolarHBondContact O-CG2 3.4Å; N125-V128 PolarHBondContact O-N 3.49Å; N125-G133 VanDerWaalsContact OD1-CA 3.26Å; N125-G133 WeakPolarHBondContact OD1-CA 3.48Å; N125-A134 PolarHBondContact OD1-N 2.99Å; N125-S176 VanDerWaalsContact CB-O 3.3Å; N125-S176 WeakPolarHBondContact CB-O 3.29Å; N125-S176 PolarHBondContact ND2-O 2.97Å; N125-P180 HydrophobicContact CB-CG 4.09Å
126T93.1Very high96.4Very high71 Ų7133.9 Ų33.944%0.43618%0.181SC..G310 helixtrans-63.4-25.5-174.857.30000116V128 V129T126-V128 PolarHBondContact O-N 2.84Å; T126-V129 VanDerWaalsContact O-CG1 3.29Å; T126-V129 WeakPolarHBondContact O-CG1 3.42Å; T126-V129 PolarHBondContact O-N 2.94Å; T126-V129 VanDerWaalsContact O-N 3.13Å
127P95.8Very high96.6Very high28 Ų2830.7 Ų30.718%0.18216%0.161CC..G310 helixtrans-56.1-10.3171.7-3137.6000116.9N125 V129 V130 R131 E132 P180N125-P127 VanDerWaalsContact C-N 3.35Å; N125-P127 WeakPolarHBondContact OD1-CD 3.33Å; P127-V129 PolarHBondContact O-N 3.34Å; P127-V130 WeakPolarHBondContact O-CG2 3.5Å; P127-V130 PolarHBondContact O-N 3.25Å; P127-R131 PolarHBondContact O-N 2.96Å; P127-E132 VanDerWaalsContact CB-O 3.32Å; P127-E132 WeakPolarHBondContact CB-O 3.23Å; P127-E132 PolarHBondContact O-N 3.42Å; P127-P180 HydrophobicContact CG-CB 4.15Å; P127-P180 HydrophobicContact CG-CG 3.7Å
128V95Very high96.6Very high0 Ų030.8 Ų30.80%016%0.162CC..G310 helixtrans-53-25.9167.5-64.30000113A14 L15 T124 N125 T126 V130 R131 V158A14-V128 HydrophobicContact CB-CG2 3.56Å; L15-V128 HydrophobicContact CD2-CB 4.11Å; L15-V128 HydrophobicContact CD2-CG1 4.1Å; L15-V128 HydrophobicContact CD2-CG2 3.85Å; L15-V128 HydrophobicContact CG-CG2 4.16Å; T124-V128 VanDerWaalsContact OG1-CG1 3.23Å; T124-V128 WeakPolarHBondContact OG1-CG1 3.37Å; N125-V128 WeakPolarHBondContact O-CG1 3.23Å; N125-V128 WeakPolarHBondContact O-CG2 3.4Å; N125-V128 PolarHBondContact O-N 3.49Å; T126-V128 PolarHBondContact O-N 2.84Å; V128-V130 PolarHBondContact O-N 3.23Å; V128-R131 PolarHBondContact O-N 3.25Å; V128-V158 HydrophobicContact CB-CB 4.05Å; V128-V158 HydrophobicContact CB-CG2 4.04Å; V128-V158 HydrophobicContact CG1-CB 4.35Å; V128-V158 HydrophobicContact CG1-CG2 3.9Å
129V92.4Very high96.6Very high46 Ų4631.3 Ų31.328%0.27917%0.17SC..G310 helixtrans-62.9-24.9176.474.50000114A14 K17 T126 P127A14-V129 HydrophobicContact CB-CB 3.97Å; K17-V129 HydrophobicContact CB-CG2 4.2Å; K17-V129 HydrophobicContact CD-CG2 3.63Å; K17-V129 HydrophobicContact CG-CG2 4.08Å; T126-V129 VanDerWaalsContact O-CG1 3.29Å; T126-V129 WeakPolarHBondContact O-CG1 3.42Å; T126-V129 PolarHBondContact O-N 2.94Å; T126-V129 VanDerWaalsContact O-N 3.13Å; P127-V129 PolarHBondContact O-N 3.34Å
130V92.6Very high96.6Very high97 Ų9731.7 Ų31.759%0.58818%0.175SC*.G310 helixtrans-112.312.7174.7-65.90000112.1P127 V128 E132P127-V130 WeakPolarHBondContact O-CG2 3.5Å; P127-V130 PolarHBondContact O-N 3.25Å; V128-V130 PolarHBondContact O-N 3.23Å; V130-E132 HydrophobicContact CG2-CB 4.26Å; V130-E132 HydrophobicContact CG2-CG 4.48Å; V130-E132 PolarHBondContact O-N 3.43Å
131R94.2Very high96.6Very high107 Ų10736.8 Ų36.840%0.40421%0.206SC..THydrogen-bonded Turntrans63.924.7179-54.5169.757.3-149.4-10.4114.9P127 V128 S157 V158P127-R131 PolarHBondContact O-N 2.96Å; V128-R131 PolarHBondContact O-N 3.25Å; R131-S157 PolarHBondContact NE-O 3.3Å; R131-S157 VanDerWaalsContact NE-O 3.15Å; R131-V158 CarbonylContact C-O 3.46Å; R131-V158 VanDerWaalsContact CA-O 3.25Å; R131-V158 WeakPolarHBondContact CA-O 3.44Å
132E96.9Very high96.6Very high145 Ų14539.5 Ų39.568%0.67822%0.219SC*.  trans-118.835175.2-62.5-67.8175.300109.7P127 V130P127-E132 VanDerWaalsContact CB-O 3.32Å; P127-E132 WeakPolarHBondContact CB-O 3.23Å; P127-E132 PolarHBondContact O-N 3.42Å; V130-E132 HydrophobicContact CG2-CB 4.26Å; V130-E132 HydrophobicContact CG2-CG 4.48Å; V130-E132 PolarHBondContact O-N 3.43Å
133G97.3Very high96.6Very high3 Ų340.4 Ų40.43%0.03123%0.226CC..EExtended strand (participates in β ladder)trans-68158.6176.200000112.3N125 V158 G159 F160N125-G133 VanDerWaalsContact OD1-CA 3.26Å; N125-G133 WeakPolarHBondContact OD1-CA 3.48Å; G133-V158 PolarHBondContact N-O 2.99Å; G133-G159 CarbonylContact O-C 3.55Å; G133-G159 VanDerWaalsContact O-CA 3.28Å; G133-G159 WeakPolarHBondContact O-CA 3.45Å; G133-F160 PolarHBondContact O-N 2.8Å
134A98.3Very high96.5Very high24 Ų2444.8 Ų44.820%0.19825%0.246CC..EExtended strand (participates in β ladder)trans-121113.8167.100000107.9N125N125-A134 PolarHBondContact OD1-N 2.99Å
135T98.4Very high96.4Very high0 Ų049 Ų490%027%0.272CS..EExtended strand (participates in β ladder)trans-120.2137.3-174.2-54.30000110C122 M123 T124 M155 F160 C161 T162C122-T135 WeakPolarHBondContact SG-CG2 3.38Å; M123-T135 CarbonylContact O-C 3.59Å; M123-T135 VanDerWaalsContact O-CA 3.24Å; M123-T135 WeakPolarHBondContact O-CA 3.39Å; T124-T135 WeakPolarHBondContact CB-OG1 3.21Å; T124-T135 PolarHBondContact OG1-OG1 3.36Å; T135-M155 HydrophobicContact CG2-CB 4.12Å; T135-M155 HydrophobicContact CG2-CE 3.56Å; T135-M155 HydrophobicContact CG2-CG 4.13Å; T135-M155 WeakPolarHBondContact OG1-CE 3.24Å; T135-F160 WeakPolarHBondContact CB-O 3.39Å; T135-F160 PolarHBondContact N-O 2.8Å; T135-C161 VanDerWaalsContact O-CA 3.3Å; T135-C161 WeakPolarHBondContact O-CA 3Å; T135-T162 PolarHBondContact O-N 3.28Å
136V98.4Very high96.5Very high10 Ų1053.7 Ų53.76%0.06129%0.294CS..EExtended strand (participates in β ladder)trans-124153.5162.4-58.20000109.5C122 M123 T162 V164 I169 V172C122-V136 WeakPolarHBondContact CA-O 3.18Å; M123-V136 HydrophobicContact CB-CG2 3.94Å; M123-V136 PolarHBondContact N-O 3.38Å; M123-V136 PolarHBondContact O-N 3.26Å; V136-T162 VanDerWaalsContact CA-O 3.29Å; V136-T162 WeakPolarHBondContact CA-O 3.29Å; V136-T162 HydrophobicContact CG1-CG2 4.05Å; V136-V164 HydrophobicContact CB-CG1 3.98Å; V136-V164 HydrophobicContact CB-CG2 3.7Å; V136-V164 HydrophobicContact CG1-CG1 3.9Å; V136-V164 HydrophobicContact CG1-CG2 4.44Å; V136-V164 HydrophobicContact CG2-CG2 3.86Å; V136-I169 HydrophobicContact CG2-CG1 4.18Å; V136-V172 HydrophobicContact CB-CG1 4.42Å; V136-V172 HydrophobicContact CG1-CG1 3.92Å; V136-V172 HydrophobicContact CG1-CG2 4.22Å; V136-V172 HydrophobicContact CG2-CB 4Å; V136-V172 HydrophobicContact CG2-CG1 3.6Å; V136-V172 HydrophobicContact CG2-CG2 4.09Å
137Y98.6Very high96.7Very high3 Ų350.6 Ų50.61%0.01227%0.274CS..EExtended strand (participates in β ladder)trans-138.7155.5172.770.8-87.3000111.8R121 T139 L151 E152 T162 E163 V164R121-Y137 CarbonylContact O-C 3.5Å; R121-Y137 WeakPolarHBondContact O-CA 3.26Å; Y137-T139 HydrophobicContact CD2-CG2 4.28Å; Y137-T139 HydrophobicContact CE2-CG2 4Å; Y137-L151 HydrophobicContact CD2-CD2 4.28Å; Y137-L151 HydrophobicContact CG-CD2 4Å; Y137-E152 HydrophobicContact CE1-CB 3.81Å; Y137-E152 HydrophobicContact CE1-CG 4.11Å; Y137-T162 PolarHBondContact N-O 2.89Å; Y137-T162 VanDerWaalsContact N-O 3.15Å; Y137-E163 HydrophobicContact CD2-CG 4.22Å; Y137-E163 HydrophobicContact CE1-CB 4.12Å; Y137-E163 HydrophobicContact CE2-CB 3.89Å; Y137-E163 HydrophobicContact CE2-CG 3.63Å; Y137-E163 CarbonylContact O-C 3.39Å; Y137-E163 WeakPolarHBondContact O-CA 3.45Å; Y137-E163 PolarHBondContact OH-OE2 3.05Å; Y137-E163 VanDerWaalsContact OH-OE2 3.13Å; Y137-V164 PolarHBondContact O-N 3.23Å
138A98.6Very high96.7Very high5 Ų549.4 Ų49.44%0.04127%0.267CS..EExtended strand (participates in β ladder)trans-125.2141.2169.100000109.2I103 M120 R121 V164 E166 I169I103-A138 HydrophobicContact CD1-CB 3.97Å; M120-A138 WeakPolarHBondContact CA-O 3.15Å; R121-A138 PolarHBondContact N-O 3.32Å; R121-A138 PolarHBondContact O-N 3.29Å; A138-V164 WeakPolarHBondContact CB-O 3.43Å; A138-E166 HydrophobicContact CB-CB 3.85Å; A138-E166 HydrophobicContact CB-CG 4.06Å; A138-I169 HydrophobicContact CB-CD1 3.73Å
139T98.4Very high96.8Very high57 Ų5754.6 Ų54.635%0.3529%0.29SS..EExtended strand (participates in β ladder)trans-88.5136.6-178.858.70000111.2M120 Y137M120-T139 HydrophobicContact CE-CG2 3.93Å; Y137-T139 HydrophobicContact CD2-CG2 4.28Å; Y137-T139 HydrophobicContact CE2-CG2 4Å
140G97.8Very high97Very high9 Ų955.1 Ų55.19%0.09329%0.291CS..  trans-77.4175.7175.500000114E107 V119 H142 A143E107-G140 WeakPolarHBondContact OE1-CA 3.48Å; V119-G140 VanDerWaalsContact O-CA 3.23Å; V119-G140 WeakPolarHBondContact O-CA 3.25Å; V119-G140 PolarHBondContact O-N 3.07Å; G140-H142 PolarHBondContact O-N 3.28Å; G140-A143 PolarHBondContact O-N 3.34Å
141T97.8Very high97.2Very high107 Ų10750.6 Ų50.666%0.65626%0.263SS*.THydrogen-bonded Turntrans-59.7-33.7-172.4-49.20000112.4E107E107-T141 PolarHBondContact OE1-N 3.11Å; E107-T141 WeakPolarHBondContact OE2-CB 3.45Å; E107-T141 PolarHBondContact OE2-OG1 3.26Å
142H97.6Very high97.3Very high63 Ų6349 Ų4929%0.29226%0.26SS..THydrogen-bonded Turntrans-1129.7-176.3-52.6-70.6000113.5R118 G140R118-H142 WeakPolarHBondContact CG-O 3.26Å; G140-H142 PolarHBondContact O-N 3.28Å
143A97Very high97.1Very high22 Ų2248.8 Ų48.818%0.18226%0.259CS..  trans-76137.9174.400000110.5M120 G140M120-A143 HydrophobicContact CE-CB 3.67Å; G140-A143 PolarHBondContact O-N 3.34Å
144E95.8Very high97Very high117 Ų11748.8 Ų48.855%0.54726%0.259SS..  trans-85160.6177.4-62-176.9165.300110.9E146 D147 G148E144-E146 PolarHBondContact O-N 3.02Å; E144-D147 PolarHBondContact N-OD2 3.01Å; E144-D147 VanDerWaalsContact O-CB 3.26Å; E144-D147 WeakPolarHBondContact O-CB 3.22Å; E144-D147 PolarHBondContact O-N 3.04Å; E144-G148 PolarHBondContact O-N 3.32Å
145V95.1Very high96.9Very high100 Ų10047.7 Ų47.761%0.60625%0.249SC*.Hα-helixtrans-60.9-34.6178.7175.70000110.9D147 G148 K149V145-D147 VanDerWaalsContact C-N 3.26Å; V145-D147 PolarHBondContact O-N 2.85Å; V145-G148 PolarHBondContact O-N 2.75Å; V145-K149 PolarHBondContact O-N 2.83Å
146E96.7Very high96.7Very high114 Ų11450.3 Ų50.353%0.53327%0.271SS..Hα-helixtrans-63.7-31.6176-68.964-143.400112E144 L150E144-E146 PolarHBondContact O-N 3.02Å; E146-L150 WeakPolarHBondContact O-CB 3.32Å; E146-L150 PolarHBondContact O-N 2.82Å
147D97.6Very high96.5Very high6 Ų650.7 Ų50.73%0.03227%0.274CS..Hα-helixtrans-68.3-40.2177.2-60.9-23.5000110.9L93 R118 M120 E144 V145 L150 L151L93-D147 HydrophobicContact CD1-CB 3.98Å; L93-D147 HydrophobicContact CD2-CB 4.1Å; R118-D147 IonicContact CZ-OD1 3.58Å; R118-D147 IonicContact CZ-OD2 3.69Å; R118-D147 IonicContact NE-OD1 2.61Å; R118-D147 PolarHBondContact NE-OD1 3.23Å; R118-D147 IonicContact NE-OD2 2.66Å; R118-D147 PolarHBondContact NE-OD2 3.04Å; R118-D147 VanDerWaalsContact NH2-CG 3.34Å; R118-D147 IonicContact NH2-OD1 3.61Å; R118-D147 PolarHBondContact NH2-OD1 2.96Å; R118-D147 IonicContact NH2-OD2 2.72Å; R118-D147 PolarHBondContact NH2-OD2 3.13Å; M120-D147 VanDerWaalsContact CE-C 3.47Å; M120-D147 HydrophobicContact CE-CB 3.3Å; E144-D147 PolarHBondContact N-OD2 3.01Å; E144-D147 VanDerWaalsContact O-CB 3.26Å; E144-D147 WeakPolarHBondContact O-CB 3.22Å; E144-D147 PolarHBondContact O-N 3.04Å; V145-D147 VanDerWaalsContact C-N 3.26Å; V145-D147 PolarHBondContact O-N 2.85Å; D147-L150 WeakPolarHBondContact O-CB 3.38Å; D147-L150 PolarHBondContact O-N 3.24Å; D147-L151 PolarHBondContact O-N 3.43Å
148G97Very high96.3Very high3 Ų350.6 Ų50.63%0.03127%0.274CS..Hα-helixtrans-63.6-48.4179.800000109.8E144 V145 L150 L151 E152E144-G148 PolarHBondContact O-N 3.32Å; V145-G148 PolarHBondContact O-N 2.75Å; G148-L150 VanDerWaalsContact C-N 3.3Å; G148-L150 PolarHBondContact O-N 3.03Å; G148-L151 PolarHBondContact O-N 2.87Å; G148-E152 WeakPolarHBondContact O-CB 3.48Å; G148-E152 PolarHBondContact O-N 3.28Å
149K96.3Very high96.2Very high108 Ų10851 Ų5147%0.4728%0.279SS..Hα-helixtrans-58.3-40.7174.5-68.1172.1-176.61650112.3V145 Q153V145-K149 PolarHBondContact O-N 2.83Å; K149-Q153 WeakPolarHBondContact O-CB 3.39Å; K149-Q153 WeakPolarHBondContact O-CG 3.39Å; K149-Q153 PolarHBondContact O-N 3.19Å
150L96.1Very high96.1Very high57 Ų5754.4 Ų54.430%0.29829%0.289SS..Hα-helixtrans-63.5-48.1177.9179.164.1000111.4M1 V67 L93 E146 D147 G148 L154M1-L150 HydrophobicContact CE-CD1 4.42Å; M1-L150 HydrophobicContact SD-CD1 3.73Å; M1-L150 HydrophobicContact SD-CD2 4.07Å; M1-L150 HydrophobicContact SD-CG 4.19Å; V67-L150 HydrophobicContact CG2-CD2 4.05Å; L93-L150 HydrophobicContact CD2-CD2 4.43Å; E146-L150 WeakPolarHBondContact O-CB 3.32Å; E146-L150 PolarHBondContact O-N 2.82Å; D147-L150 WeakPolarHBondContact O-CB 3.38Å; D147-L150 PolarHBondContact O-N 3.24Å; G148-L150 VanDerWaalsContact C-N 3.3Å; G148-L150 PolarHBondContact O-N 3.03Å; L150-L154 WeakPolarHBondContact O-CB 3.28Å; L150-L154 PolarHBondContact O-N 2.78Å
151L96.5Very high96.2Very high2 Ų254.6 Ų54.61%0.0129%0.289CS..Hα-helixtrans-65.6-43.8179.6-178.160.2000111.1F69 V95 M120 Y137 D147 G148 Q153 L154 M155F69-L151 HydrophobicContact CE1-CD1 4.33Å; F69-L151 HydrophobicContact CZ-CD1 4.15Å; V95-L151 HydrophobicContact CG1-CD1 4.08Å; V95-L151 HydrophobicContact CG1-CD2 4.01Å; V95-L151 HydrophobicContact CG2-CD1 4.06Å; V95-L151 HydrophobicContact CG2-CD2 4.3Å; M120-L151 HydrophobicContact CB-CD2 4.04Å; M120-L151 HydrophobicContact CG-CD2 4.41Å; M120-L151 HydrophobicContact SD-CB 3.96Å; M120-L151 HydrophobicContact SD-CD2 3.49Å; M120-L151 WeakPolarHBondContact SD-CD2 3.3Å; M120-L151 HydrophobicContact SD-CG 4.36Å; Y137-L151 HydrophobicContact CD2-CD2 4.28Å; Y137-L151 HydrophobicContact CG-CD2 4Å; D147-L151 PolarHBondContact O-N 3.43Å; G148-L151 PolarHBondContact O-N 2.87Å; L151-Q153 PolarHBondContact O-N 3.13Å; L151-L154 PolarHBondContact O-N 3.18Å; L151-M155 HydrophobicContact CD1-CG 3.72Å; L151-M155 HydrophobicContact CD1-SD 4.44Å; L151-M155 HydrophobicContact CG-CG 4.17Å; L151-M155 WeakPolarHBondContact O-CB 3.44Å; L151-M155 VanDerWaalsContact O-CG 3.3Å; L151-M155 WeakPolarHBondContact O-CG 3.26Å; L151-M155 PolarHBondContact O-N 3.28Å
152E96.4Very high96.2Very high75 Ų7551.9 Ų51.935%0.3527%0.272SS..Hα-helixtrans-59.3-47.9177.4-169.7-179.6-16800111.1Y137 G148 L154 M155 A156 C161Y137-E152 HydrophobicContact CE1-CB 3.81Å; Y137-E152 HydrophobicContact CE1-CG 4.11Å; G148-E152 WeakPolarHBondContact O-CB 3.48Å; G148-E152 PolarHBondContact O-N 3.28Å; E152-L154 VanDerWaalsContact C-N 3.33Å; E152-L154 PolarHBondContact O-N 3.4Å; E152-M155 PolarHBondContact O-N 3.06Å; E152-A156 WeakPolarHBondContact O-CB 3.43Å; E152-A156 PolarHBondContact O-N 3.44Å; E152-C161 HydrophobicContact CG-CB 4.41Å
153Q93.9Very high96.2Very high139 Ų13953.5 Ų53.565%0.6528%0.28SS*.Hα-helixtrans-60.7-41.6176.1-75.2175.911.300112.4K149 L151K149-Q153 WeakPolarHBondContact O-CB 3.39Å; K149-Q153 WeakPolarHBondContact O-CG 3.39Å; K149-Q153 PolarHBondContact O-N 3.19Å; L151-Q153 PolarHBondContact O-N 3.13Å
154L94.3Very high96.3Very high4 Ų454 Ų542%0.02128%0.28CS..Hα-helixtrans-64.3-48.9178.5179.559.1000110.8F19 V26 I27 F69 L150 L151 E152 S157F19-L154 HydrophobicContact CD1-CD1 3.78Å; F19-L154 HydrophobicContact CD1-CG 4.34Å; F19-L154 HydrophobicContact CD2-CD1 4.43Å; F19-L154 HydrophobicContact CE1-CD1 3.66Å; F19-L154 HydrophobicContact CE1-CG 3.7Å; F19-L154 WeakPolarHBondContact CE1-O 3.35Å; F19-L154 HydrophobicContact CE2-CD1 4.29Å; F19-L154 HydrophobicContact CE2-CD2 4.35Å; F19-L154 HydrophobicContact CE2-CG 4.32Å; F19-L154 HydrophobicContact CG-CD1 4.2Å; F19-L154 HydrophobicContact CZ-CD1 3.93Å; F19-L154 HydrophobicContact CZ-CD2 4.06Å; F19-L154 HydrophobicContact CZ-CG 3.69Å; V26-L154 HydrophobicContact CG1-CD1 3.97Å; I27-L154 HydrophobicContact CD1-CD1 3.72Å; I27-L154 HydrophobicContact CG1-CD1 4.16Å; F69-L154 HydrophobicContact CE2-CD2 3.99Å; F69-L154 HydrophobicContact CZ-CD2 3.92Å; L150-L154 WeakPolarHBondContact O-CB 3.28Å; L150-L154 PolarHBondContact O-N 2.78Å; L151-L154 PolarHBondContact O-N 3.18Å; E152-L154 VanDerWaalsContact C-N 3.33Å; E152-L154 PolarHBondContact O-N 3.4Å; L154-S157 WeakPolarHBondContact O-CB 3.41Å; L154-S157 PolarHBondContact O-N 3.16Å; L154-S157 PolarHBondContact O-OG 2.9Å
155M95.8Very high96.4Very high0 Ų055.2 Ų55.20%029%0.286CS..Hα-helixtrans-74.4-30.7-176.8-66-55.4-65.600112.7L15 F19 F69 T124 T135 L151 E152 S157 V158 G159 C161L15-M155 HydrophobicContact CD2-CE 3.7Å; L15-M155 HydrophobicContact CD2-SD 4.21Å; F19-M155 HydrophobicContact CE1-SD 4.16Å; F19-M155 HydrophobicContact CZ-SD 3.77Å; F69-M155 HydrophobicContact CE1-SD 4.21Å; F69-M155 HydrophobicContact CZ-SD 4.23Å; T124-M155 HydrophobicContact CG2-CE 4.29Å; T135-M155 HydrophobicContact CG2-CB 4.12Å; T135-M155 HydrophobicContact CG2-CE 3.56Å; T135-M155 HydrophobicContact CG2-CG 4.13Å; T135-M155 WeakPolarHBondContact OG1-CE 3.24Å; L151-M155 HydrophobicContact CD1-CG 3.72Å; L151-M155 HydrophobicContact CD1-SD 4.44Å; L151-M155 HydrophobicContact CG-CG 4.17Å; L151-M155 WeakPolarHBondContact O-CB 3.44Å; L151-M155 VanDerWaalsContact O-CG 3.3Å; L151-M155 WeakPolarHBondContact O-CG 3.26Å; L151-M155 PolarHBondContact O-N 3.28Å; E152-M155 PolarHBondContact O-N 3.06Å; M155-S157 PolarHBondContact O-N 3.34Å; M155-V158 HydrophobicContact CE-CG2 4.27Å; M155-V158 WeakPolarHBondContact O-CG2 3.36Å; M155-V158 PolarHBondContact O-N 2.95Å; M155-G159 PolarHBondContact O-N 3.13Å; M155-C161 HydrophobicContact CB-CB 3.94Å; M155-C161 VanDerWaalsContact CB-SG 3.53Å
156A94.9Very high96.5Very high56 Ų5652.8 Ų52.846%0.46327%0.268SS..Hα-helixtrans-61.3-23.5172.800000112.7E152 V158 G159E152-A156 WeakPolarHBondContact O-CB 3.43Å; E152-A156 PolarHBondContact O-N 3.44Å; A156-V158 PolarHBondContact O-N 2.94Å; A156-G159 CarbonylContact C-O 3.59Å; A156-G159 VanDerWaalsContact CA-O 3.27Å; A156-G159 WeakPolarHBondContact CA-O 3.16Å
157S93.4Very high96.5Very high18 Ų1853 Ų5313%0.12627%0.273CS..THydrogen-bonded Turntrans-68.3-19.1175.577.60000114R131 L154 M155R131-S157 PolarHBondContact NE-O 3.3Å; R131-S157 VanDerWaalsContact NE-O 3.15Å; L154-S157 WeakPolarHBondContact O-CB 3.41Å; L154-S157 PolarHBondContact O-N 3.16Å; L154-S157 PolarHBondContact O-OG 2.9Å; M155-S157 PolarHBondContact O-N 3.34Å
158V95.1Very high96.5Very high0 Ų057 Ų570%029%0.294CS..THydrogen-bonded Turntrans-119.410.4-176.8-59.70000113.8L15 G18 F19 V128 R131 G133 M155 A156L15-V158 HydrophobicContact CD2-CG2 4.3Å; G18-V158 VanDerWaalsContact CA-CG1 3.47Å; F19-V158 HydrophobicContact CD1-CG1 3.52Å; F19-V158 HydrophobicContact CD1-CG2 4.47Å; F19-V158 HydrophobicContact CE1-CG1 3.81Å; F19-V158 HydrophobicContact CE1-CG2 3.9Å; F19-V158 HydrophobicContact CG-CG1 4.47Å; V128-V158 HydrophobicContact CB-CB 4.05Å; V128-V158 HydrophobicContact CB-CG2 4.04Å; V128-V158 HydrophobicContact CG1-CB 4.35Å; V128-V158 HydrophobicContact CG1-CG2 3.9Å; R131-V158 CarbonylContact C-O 3.46Å; R131-V158 VanDerWaalsContact CA-O 3.25Å; R131-V158 WeakPolarHBondContact CA-O 3.44Å; G133-V158 PolarHBondContact N-O 2.99Å; M155-V158 HydrophobicContact CE-CG2 4.27Å; M155-V158 WeakPolarHBondContact O-CG2 3.36Å; M155-V158 PolarHBondContact O-N 2.95Å; A156-V158 PolarHBondContact O-N 2.94Å
159G95.9Very high96.5Very high15 Ų1557 Ų5716%0.15529%0.293CS..EExtended strand (participates in β ladder)trans151.3-161.9173.900000113.1G133 M155 A156G133-G159 CarbonylContact O-C 3.55Å; G133-G159 VanDerWaalsContact O-CA 3.28Å; G133-G159 WeakPolarHBondContact O-CA 3.45Å; M155-G159 PolarHBondContact O-N 3.13Å; A156-G159 CarbonylContact C-O 3.59Å; A156-G159 VanDerWaalsContact CA-O 3.27Å; A156-G159 WeakPolarHBondContact CA-O 3.16Å
160F97.9Very high96.5Very high128 Ų12852.3 Ų52.356%0.56127%0.273SS*.EExtended strand (participates in β ladder)trans-66.1136.5170.7173.2-101.4000110.5G133 T135 T162G133-F160 PolarHBondContact O-N 2.8Å; T135-F160 WeakPolarHBondContact CB-O 3.39Å; T135-F160 PolarHBondContact N-O 2.8Å; F160-T162 HydrophobicContact CE1-CG2 3.59Å; F160-T162 HydrophobicContact CZ-CG2 3.54Å
161C98.1Very high96.5Very high13 Ų1351.7 Ų51.79%0.08828%0.277CS..EExtended strand (participates in β ladder)trans-140.8137.9173.1-165.90000109.9T135 E152 M155T135-C161 VanDerWaalsContact O-CA 3.3Å; T135-C161 WeakPolarHBondContact O-CA 3Å; E152-C161 HydrophobicContact CG-CB 4.41Å; M155-C161 HydrophobicContact CB-CB 3.94Å; M155-C161 VanDerWaalsContact CB-SG 3.53Å
162T98.3Very high96.6Very high50 Ų5052.9 Ų52.931%0.30728%0.284SS..EExtended strand (participates in β ladder)trans-151.5151.3172.8-171.90000110.3T135 V136 Y137 F160 V164T135-T162 PolarHBondContact O-N 3.28Å; V136-T162 VanDerWaalsContact CA-O 3.29Å; V136-T162 WeakPolarHBondContact CA-O 3.29Å; V136-T162 HydrophobicContact CG1-CG2 4.05Å; Y137-T162 PolarHBondContact N-O 2.89Å; Y137-T162 VanDerWaalsContact N-O 3.15Å; F160-T162 HydrophobicContact CE1-CG2 3.59Å; F160-T162 HydrophobicContact CZ-CG2 3.54Å; T162-V164 HydrophobicContact CG2-CG1 4.13Å
163E98.6Very high96.5Very high97 Ų9749.8 Ų49.845%0.45327%0.27SS..EExtended strand (participates in β ladder)trans-71.9144.3167.6-161165.5155.900110.8Y137Y137-E163 HydrophobicContact CD2-CG 4.22Å; Y137-E163 HydrophobicContact CE1-CB 4.12Å; Y137-E163 HydrophobicContact CE2-CB 3.89Å; Y137-E163 HydrophobicContact CE2-CG 3.63Å; Y137-E163 CarbonylContact O-C 3.39Å; Y137-E163 WeakPolarHBondContact O-CA 3.45Å; Y137-E163 PolarHBondContact OH-OE2 3.05Å; Y137-E163 VanDerWaalsContact OH-OE2 3.13Å
164V98.3Very high96.7Very high31 Ų3143.2 Ų43.219%0.18824%0.239CC..  trans-144.5160.3173.6-60.40000110V136 Y137 A138 T162 I169V136-V164 HydrophobicContact CB-CG1 3.98Å; V136-V164 HydrophobicContact CB-CG2 3.7Å; V136-V164 HydrophobicContact CG1-CG1 3.9Å; V136-V164 HydrophobicContact CG1-CG2 4.44Å; V136-V164 HydrophobicContact CG2-CG2 3.86Å; Y137-V164 PolarHBondContact O-N 3.23Å; A138-V164 WeakPolarHBondContact CB-O 3.43Å; T162-V164 HydrophobicContact CG2-CG1 4.13Å; V164-I169 HydrophobicContact CG2-CD1 4.42Å; V164-I169 HydrophobicContact CG2-CG1 3.82Å
165E97.8Very high96.9Very high144 Ų14448.5 Ų48.567%0.67327%0.267SS*.  trans-62.5142165.8-63.6-59.7149.400111D167 L168E165-D167 VanDerWaalsContact CB-OD1 3.23Å; E165-D167 WeakPolarHBondContact CB-OD1 3.29Å; E165-D167 PolarHBondContact O-N 3.2Å; E165-L168 HydrophobicContact CB-CG 4.45Å; E165-L168 PolarHBondContact O-N 3.45Å; E165-L168 VanDerWaalsContact O-N 3.13Å
166E97.8Very high97Very high49 Ų4949.7 Ų49.723%0.22928%0.276CS..G310 helixtrans-60.7-31.6-173.2-158.9-162.7166.200112.6T102 I103 R121 A138 L168 I169T102-E166 WeakPolarHBondContact CA-OE1 3.48Å; I103-E166 HydrophobicContact CD1-CG 4.03Å; I103-E166 HydrophobicContact CG1-CG 4.29Å; I103-E166 PolarHBondContact N-OE1 3.15Å; R121-E166 WeakPolarHBondContact CD-OE1 3.3Å; R121-E166 IonicContact CZ-OE1 3.98Å; R121-E166 IonicContact NE-OE1 2.79Å; R121-E166 IonicContact NH1-OE1 2.77Å; R121-E166 PolarHBondContact NH1-OE1 3Å; A138-E166 HydrophobicContact CB-CB 3.85Å; A138-E166 HydrophobicContact CB-CG 4.06Å; E166-L168 PolarHBondContact O-N 2.9Å; E166-I169 HydrophobicContact CG-CD1 4.16Å; E166-I169 WeakPolarHBondContact O-CB 3.2Å; E166-I169 PolarHBondContact O-N 2.99Å; E166-I169 VanDerWaalsContact O-N 3.14Å
167D96.6Very high97Very high118 Ų11848 Ų4863%0.63126%0.263SS*.G310 helixtrans-67.3-20.7-178.869-17.8000113.7E165E165-D167 VanDerWaalsContact CB-OD1 3.23Å; E165-D167 WeakPolarHBondContact CB-OD1 3.29Å; E165-D167 PolarHBondContact O-N 3.2Å
168L97.7Very high97.1Very high90 Ų9048.9 Ų48.947%0.47127%0.27SS..G310 helixtrans-81.3-20175.2-59.9-178.1000112.7E165 E166 D170 A171 V172E165-L168 HydrophobicContact CB-CG 4.45Å; E165-L168 PolarHBondContact O-N 3.45Å; E165-L168 VanDerWaalsContact O-N 3.13Å; E166-L168 PolarHBondContact O-N 2.9Å; L168-D170 VanDerWaalsContact C-N 3.26Å; L168-D170 PolarHBondContact O-N 2.9Å; L168-A171 WeakPolarHBondContact O-CB 3.34Å; L168-A171 PolarHBondContact O-N 2.88Å; L168-V172 WeakPolarHBondContact O-CG2 3.02Å; L168-V172 PolarHBondContact O-N 2.82Å
169I97.6Very high97.3Very high2 Ų249.8 Ų49.81%0.0128%0.278CS..Hα-helixtrans-61.2-33.9-171.6-67.6-176.7000112.4R121 M123 V136 A138 V164 E166 V172 T173R121-I169 HydrophobicContact CB-CD1 4.21Å; R121-I169 HydrophobicContact CG-CD1 3.88Å; M123-I169 HydrophobicContact CB-CG2 3.71Å; M123-I169 HydrophobicContact CG-CG2 4.2Å; V136-I169 HydrophobicContact CG2-CG1 4.18Å; A138-I169 HydrophobicContact CB-CD1 3.73Å; V164-I169 HydrophobicContact CG2-CD1 4.42Å; V164-I169 HydrophobicContact CG2-CG1 3.82Å; E166-I169 HydrophobicContact CG-CD1 4.16Å; E166-I169 WeakPolarHBondContact O-CB 3.2Å; E166-I169 PolarHBondContact O-N 2.99Å; E166-I169 VanDerWaalsContact O-N 3.14Å; I169-V172 PolarHBondContact O-N 2.83Å; I169-T173 PolarHBondContact O-N 2.69Å; I169-T173 PolarHBondContact O-OG1 3.04Å
170D95Very high97.4Very high11 Ų1149.9 Ų49.96%0.05928%0.277CS..Hα-helixtrans-67.5-37.7177.7-63.8-16.2000111.8R121 L168 T173 G174 T267 R268R121-D170 IonicContact CZ-OD1 2.73Å; R121-D170 IonicContact NH2-OD1 3.55Å; R121-D170 PolarHBondContact NH2-OD1 3.4Å; L168-D170 VanDerWaalsContact C-N 3.26Å; L168-D170 PolarHBondContact O-N 2.9Å; D170-T173 WeakPolarHBondContact O-CB 3.41Å; D170-T173 PolarHBondContact O-N 2.98Å; D170-G174 PolarHBondContact O-N 3.4Å; D170-T267 HydrophobicContact CB-CG2 4.31Å; D170-R268 HydrophobicContact CB-CG 4.19Å; D170-R268 VanDerWaalsContact OD2-CG 3.28Å; D170-R268 WeakPolarHBondContact OD2-CG 3.19Å; D170-R268 IonicContact OD2-NE 2.75Å
171A97.6Very high97.4Very high44 Ų4446.5 Ų46.536%0.36427%0.272SS..Hα-helixtrans-69-40.8174.500000111.1L168 T173 G174 L175L168-A171 WeakPolarHBondContact O-CB 3.34Å; L168-A171 PolarHBondContact O-N 2.88Å; A171-T173 VanDerWaalsContact C-N 3.27Å; A171-T173 PolarHBondContact O-N 2.94Å; A171-G174 PolarHBondContact O-N 3.28Å; A171-G174 VanDerWaalsContact O-N 3.08Å; A171-L175 PolarHBondContact O-N 2.98Å; A171-L175 VanDerWaalsContact O-N 3.11Å
172V97.7Very high97.4Very high27 Ų2748.7 Ų48.716%0.16428%0.279CS..Hα-helixtrans-60-39.8174.2176.10000111.2M123 V136 L168 I169 G174 L175 S176 G177M123-V172 HydrophobicContact SD-CG1 4.31Å; V136-V172 HydrophobicContact CB-CG1 4.42Å; V136-V172 HydrophobicContact CG1-CG1 3.92Å; V136-V172 HydrophobicContact CG1-CG2 4.22Å; V136-V172 HydrophobicContact CG2-CB 4Å; V136-V172 HydrophobicContact CG2-CG1 3.6Å; V136-V172 HydrophobicContact CG2-CG2 4.09Å; L168-V172 WeakPolarHBondContact O-CG2 3.02Å; L168-V172 PolarHBondContact O-N 2.82Å; I169-V172 PolarHBondContact O-N 2.83Å; V172-G174 VanDerWaalsContact C-N 3.26Å; V172-G174 PolarHBondContact O-N 3.31Å; V172-L175 CarbonylContact O-C 3.59Å; V172-L175 PolarHBondContact O-N 2.87Å; V172-L175 VanDerWaalsContact O-N 3.07Å; V172-S176 WeakPolarHBondContact CG1-OG 2.97Å; V172-S176 PolarHBondContact O-N 2.87Å; V172-S176 PolarHBondContact O-OG 3.32Å; V172-G177 PolarHBondContact O-N 3.4Å
173T95.1Very high97.4Very high10 Ų1048.2 Ų48.26%0.06128%0.28CS..Iπ-helixtrans-56.2-43174.3-580000111.3M123 I169 D170 A171 L175 G177 S178 T267M123-T173 HydrophobicContact CE-CG2 4.2Å; M123-T173 VanDerWaalsContact CG-OG1 3.29Å; M123-T173 WeakPolarHBondContact CG-OG1 3.49Å; I169-T173 PolarHBondContact O-N 2.69Å; I169-T173 PolarHBondContact O-OG1 3.04Å; D170-T173 WeakPolarHBondContact O-CB 3.41Å; D170-T173 PolarHBondContact O-N 2.98Å; A171-T173 VanDerWaalsContact C-N 3.27Å; A171-T173 PolarHBondContact O-N 2.94Å; T173-L175 VanDerWaalsContact C-N 3.34Å; T173-L175 PolarHBondContact O-N 3.16Å; T173-G177 CarbonylContact O-C 3.57Å; T173-G177 VanDerWaalsContact O-CA 3.3Å; T173-G177 WeakPolarHBondContact O-CA 3.21Å; T173-G177 PolarHBondContact O-N 3.47Å; T173-S178 PolarHBondContact O-N 2.61Å; T173-T267 HydrophobicContact CG2-CG2 4.26Å; T173-T267 WeakPolarHBondContact CG2-OG1 3.38Å
174G97.2Very high97.4Very high0 Ų049.8 Ų49.80%029%0.285CS..Iπ-helixtrans-67.3-30.7176.900000114.4D170 A171 V172 Y182 S263D170-G174 PolarHBondContact O-N 3.4Å; A171-G174 PolarHBondContact O-N 3.28Å; A171-G174 VanDerWaalsContact O-N 3.08Å; V172-G174 VanDerWaalsContact C-N 3.26Å; V172-G174 PolarHBondContact O-N 3.31Å; G174-Y182 WeakPolarHBondContact O-CE2 3.08Å; G174-Y182 PolarHBondContact O-OH 3.42Å; G174-S263 WeakPolarHBondContact CA-OG 3.36Å
175L98.5Very high97.4Very high115 Ų11553 Ų5360%0.60231%0.306SS*.Iπ-helixtrans-90.7-71-178.8-176.864.3000112.7A171 V172 T173 G179 V260A171-L175 PolarHBondContact O-N 2.98Å; A171-L175 VanDerWaalsContact O-N 3.11Å; V172-L175 CarbonylContact O-C 3.59Å; V172-L175 PolarHBondContact O-N 2.87Å; V172-L175 VanDerWaalsContact O-N 3.07Å; T173-L175 VanDerWaalsContact C-N 3.34Å; T173-L175 PolarHBondContact O-N 3.16Å; L175-G179 WeakPolarHBondContact O-CA 3.49Å; L175-G179 PolarHBondContact O-N 3.37Å; L175-V260 HydrophobicContact CB-CG1 4.49Å; L175-V260 HydrophobicContact CD1-CG2 4.18Å
176S97.4Very high97.5Very high26 Ų2648 Ų4818%0.18229%0.288CS..Iπ-helixtrans-87.6-26.1-172.666.60000112.8N125 V172 P180N125-S176 VanDerWaalsContact CB-O 3.3Å; N125-S176 WeakPolarHBondContact CB-O 3.29Å; N125-S176 PolarHBondContact ND2-O 2.97Å; V172-S176 WeakPolarHBondContact CG1-OG 2.97Å; V172-S176 PolarHBondContact O-N 2.87Å; V172-S176 PolarHBondContact O-OG 3.32Å; S176-P180 VanDerWaalsContact O-CD 3.23Å; S176-P180 WeakPolarHBondContact O-CD 3.43Å
177G95.1Very high97.5Very high20 Ų2047.1 Ų47.121%0.20629%0.285CS..Iπ-helixtrans-68.4-57.317700000113V172 T173 P180V172-G177 PolarHBondContact O-N 3.4Å; T173-G177 CarbonylContact O-C 3.57Å; T173-G177 VanDerWaalsContact O-CA 3.3Å; T173-G177 WeakPolarHBondContact O-CA 3.21Å; T173-G177 PolarHBondContact O-N 3.47Å; G177-P180 WeakPolarHBondContact O-CD 3.28Å
178S96.6Very high97.6Very high37 Ų3745.6 Ų45.626%0.25928%0.277SS..THydrogen-bonded Turntrans-81.6-18.5176.6-66.20000113.3T173 P180 A181 Y182 S263T173-S178 PolarHBondContact O-N 2.61Å; S178-P180 VanDerWaalsContact C-CD 3.5Å; S178-A181 WeakPolarHBondContact O-CB 3.49Å; S178-A181 PolarHBondContact O-N 3.41Å; S178-Y182 VanDerWaalsContact CB-CZ 3.44Å; S178-Y182 WeakPolarHBondContact CB-OH 3.3Å; S178-Y182 PolarHBondContact O-N 3.27Å; S178-S263 PolarHBondContact OG-OG 3.37Å
179G98Very high97.7Very high18 Ų1844.2 Ų44.219%0.18628%0.278CS..Hα-helixtrans-44.8-46.7-179.600000116.4L175 A181 Y182 A183L175-G179 WeakPolarHBondContact O-CA 3.49Å; L175-G179 PolarHBondContact O-N 3.37Å; G179-A181 PolarHBondContact O-N 3.29Å; G179-Y182 WeakPolarHBondContact O-CB 3.42Å; G179-Y182 PolarHBondContact O-N 3.24Å; G179-A183 PolarHBondContact O-N 2.74Å
180P97.9Very high97.7Very high18 Ų1848.5 Ų48.512%0.11730%0.301CS..Hα-helixtrans-56.7-36.6176.9-28.335.9000113.5N125 P127 S176 G177 S178 Y182 A183 F184N125-P180 HydrophobicContact CB-CG 4.09Å; P127-P180 HydrophobicContact CG-CB 4.15Å; P127-P180 HydrophobicContact CG-CG 3.7Å; S176-P180 VanDerWaalsContact O-CD 3.23Å; S176-P180 WeakPolarHBondContact O-CD 3.43Å; G177-P180 WeakPolarHBondContact O-CD 3.28Å; S178-P180 VanDerWaalsContact C-CD 3.5Å; P180-Y182 VanDerWaalsContact C-N 3.34Å; P180-A183 PolarHBondContact O-N 3.03Å; P180-F184 HydrophobicContact CB-CE2 4.1Å; P180-F184 WeakPolarHBondContact O-CD2 3.27Å; P180-F184 VanDerWaalsContact O-CG 3.29Å; P180-F184 WeakPolarHBondContact O-CG 3.49Å; P180-F184 PolarHBondContact O-N 3.01Å
181A98.1Very high97.9Very high56 Ų5648 Ų4846%0.46330%0.298SS..Hα-helixtrans-67.7-36.417700000111.8S178 G179 F184 T185S178-A181 WeakPolarHBondContact O-CB 3.49Å; S178-A181 PolarHBondContact O-N 3.41Å; G179-A181 PolarHBondContact O-N 3.29Å; A181-F184 PolarHBondContact O-N 2.89Å; A181-T185 WeakPolarHBondContact O-CB 3.42Å; A181-T185 PolarHBondContact O-N 3.03Å; A181-T185 PolarHBondContact O-OG1 3.08Å
182Y98.7Very high98Very high60 Ų6050.2 Ų50.224%0.23530%0.304CS..Hα-helixtrans-63.3-44.8173.7-46.6-28.2000110.5G174 S178 G179 P180 T185 A186 A259 V260 S263G174-Y182 WeakPolarHBondContact O-CE2 3.08Å; G174-Y182 PolarHBondContact O-OH 3.42Å; S178-Y182 VanDerWaalsContact CB-CZ 3.44Å; S178-Y182 WeakPolarHBondContact CB-OH 3.3Å; S178-Y182 PolarHBondContact O-N 3.27Å; G179-Y182 WeakPolarHBondContact O-CB 3.42Å; G179-Y182 PolarHBondContact O-N 3.24Å; P180-Y182 VanDerWaalsContact C-N 3.34Å; Y182-T185 PolarHBondContact O-N 3.37Å; Y182-A186 PolarHBondContact O-N 2.88Å; Y182-A259 HydrophobicContact CE1-CB 4.1Å; Y182-A259 HydrophobicContact CE2-CB 4.46Å; Y182-A259 PolarHBondContact OH-O 3.33Å; Y182-V260 HydrophobicContact CE2-CG2 4.3Å; Y182-S263 WeakPolarHBondContact OH-CB 3.41Å
183A98.7Very high98Very high39 Ų3950.6 Ų50.632%0.32231%0.314SS..Hα-helixtrans-63-44.3177.300000112.3G179 P180 T185 A186 L187G179-A183 PolarHBondContact O-N 2.74Å; P180-A183 PolarHBondContact O-N 3.03Å; A183-T185 VanDerWaalsContact C-N 3.34Å; A183-T185 PolarHBondContact O-N 3.25Å; A183-A186 PolarHBondContact O-N 3.27Å; A183-L187 WeakPolarHBondContact O-CB 3.37Å; A183-L187 VanDerWaalsContact O-CG 3.28Å; A183-L187 WeakPolarHBondContact O-CG 3.36Å; A183-L187 PolarHBondContact O-N 3.32Å
184F98.6Very high98.2Very high130 Ų13050.8 Ų50.857%0.5732%0.318SS*.Hα-helixtrans-63.7-39.6176.9-65.5-45.1000112.5P180 A181 A186 L187 D188P180-F184 HydrophobicContact CB-CE2 4.1Å; P180-F184 WeakPolarHBondContact O-CD2 3.27Å; P180-F184 VanDerWaalsContact O-CG 3.29Å; P180-F184 WeakPolarHBondContact O-CG 3.49Å; P180-F184 PolarHBondContact O-N 3.01Å; A181-F184 PolarHBondContact O-N 2.89Å; F184-A186 VanDerWaalsContact C-N 3.35Å; F184-L187 HydrophobicContact CD1-CD1 4.31Å; F184-L187 PolarHBondContact O-N 3.22Å; F184-D188 PolarHBondContact O-N 3.47Å
185T98.8Very high98.3Very high100 Ų10053.7 Ų53.761%0.61334%0.335SS*.Hα-helixtrans-62-44175-550000110.9A181 Y182 A183 D188 A189A181-T185 WeakPolarHBondContact O-CB 3.42Å; A181-T185 PolarHBondContact O-N 3.03Å; A181-T185 PolarHBondContact O-OG1 3.08Å; Y182-T185 PolarHBondContact O-N 3.37Å; A183-T185 VanDerWaalsContact C-N 3.34Å; A183-T185 PolarHBondContact O-N 3.25Å; T185-D188 PolarHBondContact O-N 3.05Å; T185-A189 PolarHBondContact O-N 2.97Å
186A98.8Very high98.3Very high37 Ų3756.9 Ų56.931%0.30634%0.344SS..Hα-helixtrans-65.2-40.9176.400000112.5Y182 A183 F184 D188 A189 L190Y182-A186 PolarHBondContact O-N 2.88Å; A183-A186 PolarHBondContact O-N 3.27Å; F184-A186 VanDerWaalsContact C-N 3.35Å; A186-D188 VanDerWaalsContact C-N 3.33Å; A186-D188 PolarHBondContact O-N 2.99Å; A186-A189 PolarHBondContact O-N 3.46Å; A186-L190 WeakPolarHBondContact O-CB 3.4Å; A186-L190 VanDerWaalsContact O-CG 3.25Å; A186-L190 WeakPolarHBondContact O-CG 3.35Å; A186-L190 PolarHBondContact O-N 3.15Å
187L98.8Very high98.4Very high32 Ų3263.2 Ų63.217%0.16837%0.373CS..Hα-helixtrans-62.9-40178-76171.1000112.6A183 F184 A191 G208 A209 L212A183-L187 WeakPolarHBondContact O-CB 3.37Å; A183-L187 VanDerWaalsContact O-CG 3.28Å; A183-L187 WeakPolarHBondContact O-CG 3.36Å; A183-L187 PolarHBondContact O-N 3.32Å; F184-L187 HydrophobicContact CD1-CD1 4.31Å; F184-L187 PolarHBondContact O-N 3.22Å; L187-A191 WeakPolarHBondContact O-CB 3.39Å; L187-A191 PolarHBondContact O-N 2.96Å; L187-G208 WeakPolarHBondContact CD2-O 3.03Å; L187-A209 VanDerWaalsContact CD2-CA 3.46Å; L187-A209 HydrophobicContact CD2-CB 4.19Å; L187-A209 VanDerWaalsContact CD2-N 3.3Å; L187-L212 HydrophobicContact CD1-CD1 4.31Å; L187-L212 HydrophobicContact CD2-CD1 3.57Å; L187-L212 HydrophobicContact CD2-CG 4.01Å; L187-L212 HydrophobicContact CG-CD1 3.66Å
188D98.7Very high98.5Very high86 Ų8665.3 Ų65.346%0.4639%0.394SS..Hα-helixtrans-62.6-47177.3-161.824.3000111.1F184 T185 A186 A191 D192 R201F184-D188 PolarHBondContact O-N 3.47Å; T185-D188 PolarHBondContact O-N 3.05Å; A186-D188 VanDerWaalsContact C-N 3.33Å; A186-D188 PolarHBondContact O-N 2.99Å; D188-A191 PolarHBondContact O-N 3.28Å; D188-D192 PolarHBondContact O-N 3.49Å; D188-R201 PolarHBondContact O-NH1 3.25Å; D188-R201 IonicContact OD1-CZ 3.42Å; D188-R201 IonicContact OD1-NH1 3.19Å; D188-R201 IonicContact OD1-NH2 3.47Å; D188-R201 PolarHBondContact OD1-NH2 2.94Å
189A98.8Very high98.6Very high60 Ų6066.9 Ų66.950%0.49640%0.399SS..Hα-helixtrans-66.3-41177.400000113.3T185 A186 A191 D192 G193T185-A189 PolarHBondContact O-N 2.97Å; A186-A189 PolarHBondContact O-N 3.46Å; A189-A191 VanDerWaalsContact C-N 3.3Å; A189-A191 PolarHBondContact O-N 3.32Å; A189-D192 PolarHBondContact O-N 3Å; A189-G193 PolarHBondContact O-N 2.97Å
190L98.8Very high98.7Very high93 Ų9370.2 Ų70.249%0.48742%0.418SS..Hα-helixtrans-61.9-40.6174.4-76.3170.1000111.1A186 G193 G194A186-L190 WeakPolarHBondContact O-CB 3.4Å; A186-L190 VanDerWaalsContact O-CG 3.25Å; A186-L190 WeakPolarHBondContact O-CG 3.35Å; A186-L190 PolarHBondContact O-N 3.15Å; L190-G193 PolarHBondContact O-N 2.91Å; L190-G194 PolarHBondContact O-N 3.5Å
191A98.8Very high98.7Very high0 Ų074 Ų740%043%0.43CS..Hα-helixtrans-66.7-39.7176.700000111.9L187 D188 A189 G194 V195 A204 V205L187-A191 WeakPolarHBondContact O-CB 3.39Å; L187-A191 PolarHBondContact O-N 2.96Å; D188-A191 PolarHBondContact O-N 3.28Å; A189-A191 VanDerWaalsContact C-N 3.3Å; A189-A191 PolarHBondContact O-N 3.32Å; A191-G194 PolarHBondContact O-N 3.47Å; A191-V195 WeakPolarHBondContact O-CG2 3.4Å; A191-V195 PolarHBondContact O-N 3.5Å; A191-A204 HydrophobicContact CB-CB 4.17Å; A191-V205 HydrophobicContact CB-CB 4.37Å; A191-V205 HydrophobicContact CB-CG2 3.56Å
192D98.9Very high98.7Very high90 Ų9082.1 Ų82.148%0.48145%0.448SS..Hα-helixtrans-63.7-41.1173.1-78.1-14.3000112.2D188 A189 G194 V195 K196 R201D188-D192 PolarHBondContact O-N 3.49Å; A189-D192 PolarHBondContact O-N 3Å; D192-G194 PolarHBondContact O-N 3.42Å; D192-V195 PolarHBondContact O-N 3.09Å; D192-K196 WeakPolarHBondContact O-CB 3.4Å; D192-K196 PolarHBondContact O-N 2.98Å; D192-R201 IonicContact OD1-CZ 2.62Å; D192-R201 IonicContact OD1-NH1 3.49Å; D192-R201 PolarHBondContact OD1-NH1 2.98Å
193G98.8Very high98.7Very high36 Ų3683.1 Ų83.137%0.37146%0.457SS..Hα-helixtrans-58.6-45.6171.700000112.2A189 L190 V195 K196 M197A189-G193 PolarHBondContact O-N 2.97Å; L190-G193 PolarHBondContact O-N 2.91Å; G193-V195 PolarHBondContact O-N 3.25Å; G193-K196 WeakPolarHBondContact O-CB 3.2Å; G193-K196 PolarHBondContact O-N 2.98Å; G193-M197 WeakPolarHBondContact O-CG 3.29Å; G193-M197 PolarHBondContact O-N 3.33Å; G193-M197 VanDerWaalsContact O-N 3.16Å
194G98.8Very high98.7Very high14 Ų1481.5 Ų81.514%0.14444%0.444CS..Hα-helixtrans-61.3-42.6175.500000113.1L190 A191 D192 M197 G198 L199L190-G194 PolarHBondContact O-N 3.5Å; A191-G194 PolarHBondContact O-N 3.47Å; D192-G194 PolarHBondContact O-N 3.42Å; G194-M197 CarbonylContact O-C 3.5Å; G194-M197 PolarHBondContact O-N 2.87Å; G194-G198 PolarHBondContact O-N 2.91Å; G194-L199 WeakPolarHBondContact O-CB 3.46Å; G194-L199 PolarHBondContact O-N 3.48Å
195V98.8Very high98.7Very high61 Ų6178.3 Ų78.337%0.3744%0.435SS..Hα-helixtrans-64.1-42.4176171.20000111.4A191 D192 G193 M197 G198 L199 R201 A204A191-V195 WeakPolarHBondContact O-CG2 3.4Å; A191-V195 PolarHBondContact O-N 3.5Å; D192-V195 PolarHBondContact O-N 3.09Å; G193-V195 PolarHBondContact O-N 3.25Å; V195-M197 PolarHBondContact O-N 3.13Å; V195-G198 PolarHBondContact O-N 3.18Å; V195-L199 WeakPolarHBondContact CA-O 3.34Å; V195-L199 WeakPolarHBondContact CG2-O 3.33Å; V195-R201 HydrophobicContact CG2-CB 3.97Å; V195-A204 HydrophobicContact CG2-CB 4.33Å
196K98.8Very high98.7Very high182 Ų18281.8 Ų81.879%0.79144%0.437SS*.Hα-helixtrans-58-29.9174.7-174.8179178.7-177.20112.4D192 G193D192-K196 WeakPolarHBondContact O-CB 3.4Å; D192-K196 PolarHBondContact O-N 2.98Å; G193-K196 WeakPolarHBondContact O-CB 3.2Å; G193-K196 PolarHBondContact O-N 2.98Å
197M98.8Very high98.7Very high159 Ų15984.4 Ų84.478%0.78345%0.445SS*.THydrogen-bonded Turntrans-91.59.2175.8-58.3-50.8-62.300113.9G193 G194 V195G193-M197 WeakPolarHBondContact O-CG 3.29Å; G193-M197 PolarHBondContact O-N 3.33Å; G193-M197 VanDerWaalsContact O-N 3.16Å; G194-M197 CarbonylContact O-C 3.5Å; G194-M197 PolarHBondContact O-N 2.87Å; V195-M197 PolarHBondContact O-N 3.13Å
198G98.5Very high98.7Very high64 Ų6483.4 Ų83.466%0.6644%0.443SS*.THydrogen-bonded Turntrans99.95.2171.500000116G194 V195G194-G198 PolarHBondContact O-N 2.91Å; V195-G198 PolarHBondContact O-N 3.18Å
199L98.6Very high98.7Very high69 Ų6981.2 Ų81.236%0.36144%0.436SS..  trans-77.2143.1176.7-61.5-179.5000112.1G194 V195 R201 A204 L207G194-L199 WeakPolarHBondContact O-CB 3.46Å; G194-L199 PolarHBondContact O-N 3.48Å; V195-L199 WeakPolarHBondContact CA-O 3.34Å; V195-L199 WeakPolarHBondContact CG2-O 3.33Å; L199-R201 PolarHBondContact O-N 3Å; L199-A204 HydrophobicContact CB-CB 4.16Å; L199-A204 HydrophobicContact CD1-CB 4.42Å; L199-L207 HydrophobicContact CD1-CD1 4.36Å
200P98.7Very high98.7Very high88 Ų8883.1 Ų83.157%0.57144%0.435SS*.  trans-61.5136.4166.5-22.933.8000111.3R202 L203 A204P200-R202 VanDerWaalsContact C-N 3.31Å; P200-R202 PolarHBondContact O-N 3.46Å; P200-R202 VanDerWaalsContact O-N 3.16Å; P200-L203 HydrophobicContact CB-CB 4.47Å; P200-L203 WeakPolarHBondContact O-CB 3.47Å; P200-L203 PolarHBondContact O-N 3.27Å; P200-A204 PolarHBondContact O-N 3.32Å
201R98.6Very high98.7Very high98 Ų9881.6 Ų81.637%0.3744%0.436SS..Hα-helixtrans-50.2-45.9-175.2-179.264.3179.9173.59.3113.7D188 D192 V195 L199 L203 A204 V205D188-R201 PolarHBondContact O-NH1 3.25Å; D188-R201 IonicContact OD1-CZ 3.42Å; D188-R201 IonicContact OD1-NH1 3.19Å; D188-R201 IonicContact OD1-NH2 3.47Å; D188-R201 PolarHBondContact OD1-NH2 2.94Å; D192-R201 IonicContact OD1-CZ 2.62Å; D192-R201 IonicContact OD1-NH1 3.49Å; D192-R201 PolarHBondContact OD1-NH1 2.98Å; V195-R201 HydrophobicContact CG2-CB 3.97Å; L199-R201 PolarHBondContact O-N 3Å; R201-L203 VanDerWaalsContact C-N 3.32Å; R201-L203 PolarHBondContact O-N 3.29Å; R201-A204 PolarHBondContact O-N 3.05Å; R201-V205 WeakPolarHBondContact O-CG2 3.28Å; R201-V205 PolarHBondContact O-N 3.08Å
202R98.6Very high98.7Very high226 Ų22684.8 Ų84.885%0.85345%0.452SS*.Hα-helixtrans-60.9-39.9179.1-177178.8176.3-176.4-0.8112.4P200 R206P200-R202 VanDerWaalsContact C-N 3.31Å; P200-R202 PolarHBondContact O-N 3.46Å; P200-R202 VanDerWaalsContact O-N 3.16Å; R202-R206 PolarHBondContact O-N 3.35Å
203L98.6Very high98.7Very high82 Ų8285.5 Ų85.543%0.42946%0.456SS..Hα-helixtrans-70.4-44.4178179.660.9000110.6P200 R201 V205 R206 L207P200-L203 HydrophobicContact CB-CB 4.47Å; P200-L203 WeakPolarHBondContact O-CB 3.47Å; P200-L203 PolarHBondContact O-N 3.27Å; R201-L203 VanDerWaalsContact C-N 3.32Å; R201-L203 PolarHBondContact O-N 3.29Å; L203-V205 PolarHBondContact O-N 2.85Å; L203-R206 PolarHBondContact O-N 3.49Å; L203-R206 VanDerWaalsContact O-N 3.15Å; L203-L207 HydrophobicContact CD1-CD1 3.94Å; L203-L207 HydrophobicContact CD1-CD2 4.44Å; L203-L207 HydrophobicContact CD1-CG 3.94Å; L203-L207 HydrophobicContact CD2-CD1 4.43Å; L203-L207 HydrophobicContact CG-CD1 3.82Å; L203-L207 HydrophobicContact CG-CG 4.24Å; L203-L207 WeakPolarHBondContact O-CG 3.23Å; L203-L207 PolarHBondContact O-N 3.33Å
204A98.8Very high98.7Very high5 Ų585 Ų854%0.04145%0.451CS..Hα-helixtrans-58.5-47.1179.300000112.3A191 V195 L199 P200 R201 R206 L207 G208A191-A204 HydrophobicContact CB-CB 4.17Å; V195-A204 HydrophobicContact CG2-CB 4.33Å; L199-A204 HydrophobicContact CB-CB 4.16Å; L199-A204 HydrophobicContact CD1-CB 4.42Å; P200-A204 PolarHBondContact O-N 3.32Å; R201-A204 PolarHBondContact O-N 3.05Å; A204-R206 VanDerWaalsContact C-N 3.34Å; A204-R206 PolarHBondContact O-N 3.29Å; A204-L207 PolarHBondContact O-N 3.39Å; A204-G208 PolarHBondContact O-N 3.4Å
205V98.8Very high98.7Very high62 Ų6287.1 Ų87.138%0.37647%0.467SS..Hα-helixtrans-58.5-45.3174.8172.30000111.2A191 R201 L203 A209A191-V205 HydrophobicContact CB-CB 4.37Å; A191-V205 HydrophobicContact CB-CG2 3.56Å; R201-V205 WeakPolarHBondContact O-CG2 3.28Å; R201-V205 PolarHBondContact O-N 3.08Å; L203-V205 PolarHBondContact O-N 2.85Å; V205-A209 WeakPolarHBondContact O-CB 3.3Å; V205-A209 PolarHBondContact O-N 2.9Å
206R98.6Very high98.7Very high173 Ų17386.8 Ų86.865%0.65347%0.47SS*.Hα-helixtrans-66.5-42.7-177.9-174.461.9178.3-161.63.3112.3R202 L203 A204 Q210R202-R206 PolarHBondContact O-N 3.35Å; L203-R206 PolarHBondContact O-N 3.49Å; L203-R206 VanDerWaalsContact O-N 3.15Å; A204-R206 VanDerWaalsContact C-N 3.34Å; A204-R206 PolarHBondContact O-N 3.29Å; R206-Q210 WeakPolarHBondContact O-CB 3.37Å; R206-Q210 PolarHBondContact O-N 2.84Å
207L98.8Very high98.6Very high93 Ų9384 Ų8449%0.48746%0.458SS..Hα-helixtrans-66.3-44.6178.4-69.7174.8000111.4L199 L203 A204 A209 Q210 A211L199-L207 HydrophobicContact CD1-CD1 4.36Å; L203-L207 HydrophobicContact CD1-CD1 3.94Å; L203-L207 HydrophobicContact CD1-CD2 4.44Å; L203-L207 HydrophobicContact CD1-CG 3.94Å; L203-L207 HydrophobicContact CD2-CD1 4.43Å; L203-L207 HydrophobicContact CG-CD1 3.82Å; L203-L207 HydrophobicContact CG-CG 4.24Å; L203-L207 WeakPolarHBondContact O-CG 3.23Å; L203-L207 PolarHBondContact O-N 3.33Å; A204-L207 PolarHBondContact O-N 3.39Å; L207-A209 PolarHBondContact O-N 3.07Å; L207-Q210 PolarHBondContact O-N 3.2Å; L207-A211 WeakPolarHBondContact O-CB 3.36Å; L207-A211 PolarHBondContact O-N 3.14Å
208G98.7Very high98.6Very high11 Ų1182 Ų8211%0.11345%0.448CS..Hα-helixtrans-59.7-46.1175.700000112.4L187 A204 Q210 A211 L212L187-G208 WeakPolarHBondContact CD2-O 3.03Å; A204-G208 PolarHBondContact O-N 3.4Å; G208-Q210 PolarHBondContact O-N 3.35Å; G208-A211 PolarHBondContact O-N 2.72Å; G208-L212 PolarHBondContact O-N 2.9Å; G208-L212 VanDerWaalsContact O-N 3.09Å
209A98.8Very high98.6Very high39 Ų3982.4 Ų82.432%0.32244%0.435SS..Hα-helixtrans-61.6-43.6177.200000112.1L187 V205 L207 A211 L212 L213L187-A209 VanDerWaalsContact CD2-CA 3.46Å; L187-A209 HydrophobicContact CD2-CB 4.19Å; L187-A209 VanDerWaalsContact CD2-N 3.3Å; V205-A209 WeakPolarHBondContact O-CB 3.3Å; V205-A209 PolarHBondContact O-N 2.9Å; L207-A209 PolarHBondContact O-N 3.07Å; A209-A211 VanDerWaalsContact C-N 3.34Å; A209-A211 PolarHBondContact O-N 3.29Å; A209-L212 PolarHBondContact O-N 3.19Å; A209-L213 WeakPolarHBondContact O-CB 3.36Å; A209-L213 PolarHBondContact O-N 3.3Å
210Q98.8Very high98.6Very high100 Ų10085.9 Ų85.947%0.46745%0.453SS..Hα-helixtrans-65.8-37178.1-17063.749.900112.2R206 L207 G208 G214R206-Q210 WeakPolarHBondContact O-CB 3.37Å; R206-Q210 PolarHBondContact O-N 2.84Å; L207-Q210 PolarHBondContact O-N 3.2Å; G208-Q210 PolarHBondContact O-N 3.35Å; Q210-G214 PolarHBondContact O-N 3.27Å
211A98.8Very high98.5Very high61 Ų6187.6 Ų87.650%0.50446%0.458SS..Hα-helixtrans-65.1-46.5177.600000111.9L207 G208 A209 G214 A215L207-A211 WeakPolarHBondContact O-CB 3.36Å; L207-A211 PolarHBondContact O-N 3.14Å; G208-A211 PolarHBondContact O-N 2.72Å; A209-A211 VanDerWaalsContact C-N 3.34Å; A209-A211 PolarHBondContact O-N 3.29Å; A211-G214 PolarHBondContact O-N 3.29Å; A211-A215 WeakPolarHBondContact O-CB 3.47Å; A211-A215 PolarHBondContact O-N 3.3Å
212L98.7Very high98.4Very high67 Ų6784.9 Ų84.935%0.35145%0.454SS..Hα-helixtrans-65.2-42.6176.8-68.5-168.9000112.2L187 G208 A209 A215 A216L187-L212 HydrophobicContact CD1-CD1 4.31Å; L187-L212 HydrophobicContact CD2-CD1 3.57Å; L187-L212 HydrophobicContact CD2-CG 4.01Å; L187-L212 HydrophobicContact CG-CD1 3.66Å; G208-L212 PolarHBondContact O-N 2.9Å; G208-L212 VanDerWaalsContact O-N 3.09Å; A209-L212 PolarHBondContact O-N 3.19Å; L212-A215 PolarHBondContact O-N 2.91Å; L212-A216 WeakPolarHBondContact O-CB 3.4Å; L212-A216 PolarHBondContact O-N 3.49Å
213L98.7Very high98.3Very high105 Ų10583.9 Ų83.955%0.5546%0.459SS..Hα-helixtrans-59.7-48.1176.8-178.1154.6000111.2A209 K217A209-L213 WeakPolarHBondContact O-CB 3.36Å; A209-L213 PolarHBondContact O-N 3.3Å; L213-K217 WeakPolarHBondContact O-CB 3.32Å; L213-K217 PolarHBondContact O-N 3.3Å
214G98.5Very high98.2Very high26 Ų2684.2 Ų84.227%0.26846%0.458SS..Hα-helixtrans-62.7-45.7179.500000112.6Q210 A211 K217 M218Q210-G214 PolarHBondContact O-N 3.27Å; A211-G214 PolarHBondContact O-N 3.29Å; G214-K217 PolarHBondContact O-N 2.66Å; G214-M218 VanDerWaalsContact O-CG 3.3Å; G214-M218 WeakPolarHBondContact O-CG 3.46Å; G214-M218 PolarHBondContact O-N 2.98Å
215A98.6Very high98.2Very high59 Ų5990.6 Ų90.649%0.48849%0.487SS..Hα-helixtrans-63.4-43.517900000112.4A211 L212 M218 L219A211-A215 WeakPolarHBondContact O-CB 3.47Å; A211-A215 PolarHBondContact O-N 3.3Å; L212-A215 PolarHBondContact O-N 2.91Å; A215-M218 PolarHBondContact O-N 3.36Å; A215-L219 PolarHBondContact O-N 3.03Å; A215-L219 VanDerWaalsContact O-N 3.17Å
216A98.4Very high98.2Very high53 Ų5391 Ų9144%0.43849%0.491SS..Hα-helixtrans-62.7-45.7176.200000111.2L212 M218 L219 L220L212-A216 WeakPolarHBondContact O-CB 3.4Å; L212-A216 PolarHBondContact O-N 3.49Å; A216-M218 PolarHBondContact O-N 3.46Å; A216-L219 PolarHBondContact O-N 3.47Å; A216-L220 WeakPolarHBondContact O-CG 3.36Å; A216-L220 PolarHBondContact O-N 2.79Å
217K98.4Very high98.2Very high124 Ų12483.7 Ų83.754%0.53947%0.469SS..Hα-helixtrans-61.4-43.6177.5-176170-177.8173.50112.5L213 G214 L219 L220 D221L213-K217 WeakPolarHBondContact O-CB 3.32Å; L213-K217 PolarHBondContact O-N 3.3Å; G214-K217 PolarHBondContact O-N 2.66Å; K217-L219 PolarHBondContact O-N 2.97Å; K217-L220 PolarHBondContact O-N 3.47Å; K217-D221 VanDerWaalsContact CE-OD2 3.27Å; K217-D221 WeakPolarHBondContact CE-OD2 3.5Å; K217-D221 WeakPolarHBondContact CG-OD2 3.39Å; K217-D221 WeakPolarHBondContact O-CB 3.5Å; K217-D221 PolarHBondContact O-N 3.22Å
218M98.4Very high98.1Very high116 Ų11683.6 Ų83.657%0.57147%0.466SS*.Hα-helixtrans-58.1-37.7175.7-75.4177.267.300112.5G214 A215 A216 S222G214-M218 VanDerWaalsContact O-CG 3.3Å; G214-M218 WeakPolarHBondContact O-CG 3.46Å; G214-M218 PolarHBondContact O-N 2.98Å; A215-M218 PolarHBondContact O-N 3.36Å; A216-M218 PolarHBondContact O-N 3.46Å; M218-S222 WeakPolarHBondContact O-CB 3.15Å; M218-S222 PolarHBondContact O-N 3.35Å
219L98.5Very high98.1Very high73 Ų7384.2 Ų84.238%0.38247%0.467SS..Hα-helixtrans-71.3-40.8176.9-179.963.8000111.9A215 A216 K217 D221 S222 P226 L229A215-L219 PolarHBondContact O-N 3.03Å; A215-L219 VanDerWaalsContact O-N 3.17Å; A216-L219 PolarHBondContact O-N 3.47Å; K217-L219 PolarHBondContact O-N 2.97Å; L219-D221 VanDerWaalsContact C-N 3.33Å; L219-S222 PolarHBondContact O-N 3.02Å; L219-S222 VanDerWaalsContact O-O 3.06Å; L219-P226 HydrophobicContact CD1-CB 4.15Å; L219-P226 HydrophobicContact CD2-CB 4.38Å; L219-L229 HydrophobicContact CB-CD1 4.05Å; L219-L229 HydrophobicContact CD1-CD1 3.84Å
220L97.7Very high98.1Very high142 Ų14285.5 Ų85.574%0.74347%0.465SS*.Hα-helixtrans-66.9-34.4179.3-68.7171.5000112.7A216 K217 S222A216-L220 WeakPolarHBondContact O-CG 3.36Å; A216-L220 PolarHBondContact O-N 2.79Å; K217-L220 PolarHBondContact O-N 3.47Å; L220-S222 VanDerWaalsContact C-N 3.31Å
221D97.3Very high98Very high124 Ų12484.4 Ų84.466%0.66346%0.463SS*.THydrogen-bonded Turntrans-87.42.2-179.8-64.3-18.4000112.7K217 L219K217-D221 VanDerWaalsContact CE-OD2 3.27Å; K217-D221 WeakPolarHBondContact CE-OD2 3.5Å; K217-D221 WeakPolarHBondContact CG-OD2 3.39Å; K217-D221 WeakPolarHBondContact O-CB 3.5Å; K217-D221 PolarHBondContact O-N 3.22Å; L219-D221 VanDerWaalsContact C-N 3.33Å
222S96.3Very high98Very high41 Ų4186.2 Ų86.229%0.28746%0.464SS..  trans-124.5146.4-174.5-170.70000112.5M218 L219 L220 Q224M218-S222 WeakPolarHBondContact O-CB 3.15Å; M218-S222 PolarHBondContact O-N 3.35Å; L219-S222 PolarHBondContact O-N 3.02Å; L219-S222 VanDerWaalsContact O-O 3.06Å; L220-S222 VanDerWaalsContact C-N 3.31Å; S222-Q224 VanDerWaalsContact C-N 3.29Å; S222-Q224 WeakPolarHBondContact OG-CB 3.46Å; S222-Q224 WeakPolarHBondContact OG-CG 3.39Å; S222-Q224 PolarHBondContact OG-N 3.47Å; S222-Q224 VanDerWaalsContact OG-N 3.12Å
223E95.9Very high97.9Very high206 Ų20687.2 Ų87.296%0.96347%0.472SS*.  trans-86.6-0.1168.9-61.6-176.2172.200112.6
224Q97.7Very high97.8Very high89 Ų8983.3 Ų83.342%0.41645%0.454SS..SBendtrans-75.5142.2-178.1-66.3-174.2-38.600112S222 L229S222-Q224 VanDerWaalsContact C-N 3.29Å; S222-Q224 WeakPolarHBondContact OG-CB 3.46Å; S222-Q224 WeakPolarHBondContact OG-CG 3.39Å; S222-Q224 PolarHBondContact OG-N 3.47Å; S222-Q224 VanDerWaalsContact OG-N 3.12Å; Q224-L229 HydrophobicContact CB-CD2 4.24Å; Q224-L229 HydrophobicContact CB-CG 4.26Å; Q224-L229 VanDerWaalsContact OE1-CD2 3.25Å
225H98.4Very high97.6Very high139 Ų13985.9 Ų85.964%0.64447%0.468SS*.  trans-59.9140.6171.7-175.9-99.6000110.9G227 Q228 L229H225-G227 WeakPolarHBondContact ND1-CA 3.28Å; H225-G227 PolarHBondContact ND1-N 2.79Å; H225-G227 PolarHBondContact O-N 2.94Å; H225-G227 VanDerWaalsContact O-N 3.08Å; H225-Q228 WeakPolarHBondContact O-CA 3.27Å; H225-Q228 WeakPolarHBondContact O-CB 3.39Å; H225-Q228 PolarHBondContact O-N 2.82Å; H225-L229 PolarHBondContact O-N 3.24Å
226P98.1Very high97.5Very high70 Ų7089.6 Ų89.646%0.45549%0.487SS..Hα-helixtrans-58.1-27.818021-34.3000113.6L219 Q228 L229 K230L219-P226 HydrophobicContact CD1-CB 4.15Å; L219-P226 HydrophobicContact CD2-CB 4.38Å; P226-Q228 VanDerWaalsContact C-N 3.33Å; P226-L229 PolarHBondContact O-N 2.98Å; P226-K230 WeakPolarHBondContact O-CB 3.27Å; P226-K230 PolarHBondContact O-N 3.39Å
227G98.3Very high97.4Very high20 Ų2090.2 Ų90.221%0.20650%0.498CS..Hα-helixtrans-62.6-37.2171.500000113.3H225 K230 D231H225-G227 WeakPolarHBondContact ND1-CA 3.28Å; H225-G227 PolarHBondContact ND1-N 2.79Å; H225-G227 PolarHBondContact O-N 2.94Å; H225-G227 VanDerWaalsContact O-N 3.08Å; G227-K230 WeakPolarHBondContact O-CB 3.27Å; G227-K230 PolarHBondContact O-N 2.93Å; G227-D231 VanDerWaalsContact O-CG 3.3Å; G227-D231 PolarHBondContact O-N 3.17Å; G227-D231 VanDerWaalsContact O-N 3.08Å
228Q98.3Very high97.3Very high90 Ų9085.3 Ų85.342%0.42148%0.483SS..Hα-helixtrans-71.4-43.1176.6-174.961.559.500111.3H225 P226 K230 D231 N232H225-Q228 WeakPolarHBondContact O-CA 3.27Å; H225-Q228 WeakPolarHBondContact O-CB 3.39Å; H225-Q228 PolarHBondContact O-N 2.82Å; P226-Q228 VanDerWaalsContact C-N 3.33Å; Q228-K230 VanDerWaalsContact C-N 3.26Å; Q228-K230 PolarHBondContact O-N 3.11Å; Q228-D231 PolarHBondContact O-N 3.3Å; Q228-D231 VanDerWaalsContact O-N 3.09Å; Q228-N232 PolarHBondContact NE2-OD1 2.79Å; Q228-N232 PolarHBondContact O-N 3.05Å; Q228-N232 PolarHBondContact O-ND2 3.41Å; Q228-N232 PolarHBondContact O-OD1 3.48Å
229L98Very high97.3Very high25 Ų2583.9 Ų83.913%0.13149%0.49CS..Hα-helixtrans-59.8-39.5174.9-67.3178.3000111.4L219 Q224 H225 P226 N232 V233L219-L229 HydrophobicContact CB-CD1 4.05Å; L219-L229 HydrophobicContact CD1-CD1 3.84Å; Q224-L229 HydrophobicContact CB-CD2 4.24Å; Q224-L229 HydrophobicContact CB-CG 4.26Å; Q224-L229 VanDerWaalsContact OE1-CD2 3.25Å; H225-L229 PolarHBondContact O-N 3.24Å; P226-L229 PolarHBondContact O-N 2.98Å; L229-N232 PolarHBondContact O-N 3.03Å; L229-V233 WeakPolarHBondContact O-CG2 3.44Å; L229-V233 PolarHBondContact O-N 2.95Å
230K98.1Very high97.3Very high65 Ų6583.1 Ų83.128%0.28349%0.488SS..Hα-helixtrans-57.9-47.4171.4173.9-166.168.267.20111.6P226 G227 Q228 N232 V233 C234 L244P226-K230 WeakPolarHBondContact O-CB 3.27Å; P226-K230 PolarHBondContact O-N 3.39Å; G227-K230 WeakPolarHBondContact O-CB 3.27Å; G227-K230 PolarHBondContact O-N 2.93Å; Q228-K230 VanDerWaalsContact C-N 3.26Å; Q228-K230 PolarHBondContact O-N 3.11Å; K230-N232 VanDerWaalsContact C-N 3.34Å; K230-N232 PolarHBondContact O-N 3.31Å; K230-V233 PolarHBondContact O-N 3.35Å; K230-C234 PolarHBondContact O-N 2.91Å; K230-C234 PolarHBondContact O-SG 3.18Å; K230-L244 HydrophobicContact CD-CD1 3.97Å; K230-L244 HydrophobicContact CG-CD1 3.84Å
231D98Very high97.3Very high78 Ų7879.9 Ų79.942%0.41747%0.471SS..Hα-helixtrans-64.9-37.9-179.2-69.2-18.1000112G227 Q228 V233 C234G227-D231 VanDerWaalsContact O-CG 3.3Å; G227-D231 PolarHBondContact O-N 3.17Å; G227-D231 VanDerWaalsContact O-N 3.08Å; Q228-D231 PolarHBondContact O-N 3.3Å; Q228-D231 VanDerWaalsContact O-N 3.09Å; D231-V233 PolarHBondContact O-N 3.39Å; D231-V233 VanDerWaalsContact O-N 3.16Å; D231-C234 PolarHBondContact O-N 3.31Å
232N97.6Very high97.4Very high98 Ų9879.4 Ų79.452%0.52446%0.464SS..Hα-helixtrans-61.4-24.4176.6-63.4-12.4000113.1Q228 L229 K230Q228-N232 PolarHBondContact NE2-OD1 2.79Å; Q228-N232 PolarHBondContact O-N 3.05Å; Q228-N232 PolarHBondContact O-ND2 3.41Å; Q228-N232 PolarHBondContact O-OD1 3.48Å; L229-N232 PolarHBondContact O-N 3.03Å; K230-N232 VanDerWaalsContact C-N 3.34Å; K230-N232 PolarHBondContact O-N 3.31Å
233V97.5Very high97.5Very high88 Ų8880.3 Ų80.353%0.53347%0.474SS..Hα-helixtrans-87.2-18.8175-178.80000112.1L229 K230 D231 S235 T240L229-V233 WeakPolarHBondContact O-CG2 3.44Å; L229-V233 PolarHBondContact O-N 2.95Å; K230-V233 PolarHBondContact O-N 3.35Å; D231-V233 PolarHBondContact O-N 3.39Å; D231-V233 VanDerWaalsContact O-N 3.16Å; V233-S235 PolarHBondContact O-N 3.36Å; V233-T240 HydrophobicContact CG1-CG2 4.17Å
234C95.6Very high97.6Very high24 Ų2472.1 Ų72.116%0.16244%0.437CS..  trans-92.7101.7-175.8-65.30000111.7K230 D231 L244K230-C234 PolarHBondContact O-N 2.91Å; K230-C234 PolarHBondContact O-SG 3.18Å; D231-C234 PolarHBondContact O-N 3.31Å; C234-L244 WeakPolarHBondContact SG-CD1 3.48Å
235S94.9Very high97.7Very high80 Ų8073.8 Ų73.856%0.55944%0.444SS*.  trans-74.3142.9167.3-48.70000111.3V233 G237 G238V233-S235 PolarHBondContact O-N 3.36Å; S235-G237 PolarHBondContact O-N 3.44Å; S235-G238 PolarHBondContact O-N 3.17Å
236P95.3Very high97.7Very high137 Ų13775 Ų7589%0.8945%0.448SS*.THydrogen-bonded Turntrans-53.5126.8175-27.335.3000112.2G238P236-G238 PolarHBondContact O-N 3.47Å
237G96.4Very high97.7Very high65 Ų6575.4 Ų75.467%0.6745%0.446SS*.THydrogen-bonded Turntrans69.53.9-176.800000115.4S235S235-G237 PolarHBondContact O-N 3.44Å
238G98.1Very high97.7Very high22 Ų2278.3 Ų78.323%0.22745%0.454CS..  trans-74.5173.3-175.200000114.8S235 P236 T240 I241 H242S235-G238 PolarHBondContact O-N 3.17Å; P236-G238 PolarHBondContact O-N 3.47Å; G238-T240 PolarHBondContact O-N 2.98Å; G238-I241 VanDerWaalsContact O-CG2 3.3Å; G238-I241 WeakPolarHBondContact O-CG2 3.3Å; G238-H242 PolarHBondContact O-ND1 2.98Å
239A97.8Very high97.7Very high86 Ų8678.2 Ų78.271%0.71146%0.464SS*.Hα-helixtrans-62.6-39.1179.800000112.9I241 H242 A243A239-I241 PolarHBondContact O-N 2.97Å; A239-H242 PolarHBondContact O-N 3.19Å; A239-A243 PolarHBondContact O-N 3Å; A239-A243 VanDerWaalsContact O-N 3.14Å
240T98.3Very high97.7Very high57 Ų5779.8 Ų79.835%0.3549%0.486SS..Hα-helixtrans-60.8-45.1-176.4-49.70000112.5V233 G238 H242 A243 L244V233-T240 HydrophobicContact CG1-CG2 4.17Å; G238-T240 PolarHBondContact O-N 2.98Å; T240-H242 VanDerWaalsContact C-N 3.29Å; T240-H242 PolarHBondContact O-N 2.91Å; T240-A243 PolarHBondContact O-N 3.38Å; T240-L244 HydrophobicContact CG2-CD1 4.37Å; T240-L244 HydrophobicContact CG2-CG 4.49Å; T240-L244 WeakPolarHBondContact O-CG 3.35Å; T240-L244 PolarHBondContact O-N 3.11Å
241I98.3Very high97.7Very high73 Ų7377.8 Ų77.837%0.37448%0.483SS..Hα-helixtrans-67.8-31.7-177.2-168.561.6000112G238 A239 L244 H245G238-I241 VanDerWaalsContact O-CG2 3.3Å; G238-I241 WeakPolarHBondContact O-CG2 3.3Å; A239-I241 PolarHBondContact O-N 2.97Å; I241-L244 HydrophobicContact CD1-CD1 4.34Å; I241-L244 PolarHBondContact O-N 3.16Å; I241-H245 PolarHBondContact O-N 2.9Å
242H98.4Very high97.8Very high115 Ų11578.4 Ų78.453%0.53248%0.482SS..Hα-helixtrans-67.1-41.4173-71.582.5000111.8G238 A239 T240 H245 F246G238-H242 PolarHBondContact O-ND1 2.98Å; A239-H242 PolarHBondContact O-N 3.19Å; T240-H242 VanDerWaalsContact C-N 3.29Å; T240-H242 PolarHBondContact O-N 2.91Å; H242-H245 PolarHBondContact O-N 2.84Å; H242-F246 PolarHBondContact O-N 3.17Å
243A98.6Very high97.8Very high59 Ų5979.8 Ų79.849%0.48848%0.48SS..Hα-helixtrans-64.4-43.6175.200000111.7A239 T240 H245 F246 L247A239-A243 PolarHBondContact O-N 3Å; A239-A243 VanDerWaalsContact O-N 3.14Å; T240-A243 PolarHBondContact O-N 3.38Å; A243-H245 VanDerWaalsContact C-N 3.31Å; A243-H245 PolarHBondContact O-N 3.03Å; A243-F246 PolarHBondContact O-N 3.28Å; A243-L247 PolarHBondContact O-N 3.17Å
244L98.6Very high97.9Very high34 Ų3478.2 Ų78.218%0.17847%0.473CS..Hα-helixtrans-59.7-40.9175.9-71.6177000111.9K230 C234 T240 I241 F246 L247 E248K230-L244 HydrophobicContact CD-CD1 3.97Å; K230-L244 HydrophobicContact CG-CD1 3.84Å; C234-L244 WeakPolarHBondContact SG-CD1 3.48Å; T240-L244 HydrophobicContact CG2-CD1 4.37Å; T240-L244 HydrophobicContact CG2-CG 4.49Å; T240-L244 WeakPolarHBondContact O-CG 3.35Å; T240-L244 PolarHBondContact O-N 3.11Å; I241-L244 HydrophobicContact CD1-CD1 4.34Å; I241-L244 PolarHBondContact O-N 3.16Å; L244-F246 VanDerWaalsContact C-N 3.28Å; L244-F246 PolarHBondContact O-N 3.31Å; L244-L247 HydrophobicContact CD2-CD1 4.35Å; L244-L247 WeakPolarHBondContact O-CB 3.25Å; L244-L247 PolarHBondContact O-N 2.88Å; L244-E248 WeakPolarHBondContact O-CG 3.23Å; L244-E248 PolarHBondContact O-N 3.49Å
245H98.7Very high98Very high125 Ų12582.1 Ų82.158%0.57949%0.492SS*.Hα-helixtrans-57-39.9177.5179.2-142.9000112.8I241 H242 A243 S249I241-H245 PolarHBondContact O-N 2.9Å; H242-H245 PolarHBondContact O-N 2.84Å; A243-H245 VanDerWaalsContact C-N 3.31Å; A243-H245 PolarHBondContact O-N 3.03Å; H245-S249 WeakPolarHBondContact O-CB 3.46Å; H245-S249 PolarHBondContact O-N 3.06Å; H245-S249 PolarHBondContact O-OG 2.95Å
246F98.6Very high98.2Very high164 Ų16482 Ų8272%0.71949%0.485SS*.Hα-helixtrans-66.4-40.7173.9-87.1-82.7000112.8H242 A243 L244 S249 G250H242-F246 PolarHBondContact O-N 3.17Å; A243-F246 PolarHBondContact O-N 3.28Å; L244-F246 VanDerWaalsContact C-N 3.28Å; L244-F246 PolarHBondContact O-N 3.31Å; F246-S249 PolarHBondContact O-N 3.25Å; F246-G250 PolarHBondContact O-N 3.15Å; F246-G250 VanDerWaalsContact O-N 3.11Å
247L98.6Very high98.4Very high78 Ų7880.8 Ų80.841%0.40847%0.47SS..Hα-helixtrans-62.9-43.2176.5-65.4-179.4000111.6A243 L244 G250 G251 F252A243-L247 PolarHBondContact O-N 3.17Å; L244-L247 HydrophobicContact CD2-CD1 4.35Å; L244-L247 WeakPolarHBondContact O-CB 3.25Å; L244-L247 PolarHBondContact O-N 2.88Å; L247-G250 PolarHBondContact O-N 3.37Å; L247-G251 PolarHBondContact O-N 3.12Å; L247-F252 HydrophobicContact CB-CB 3.96Å; L247-F252 HydrophobicContact CB-CG 4.34Å; L247-F252 HydrophobicContact CD2-CD2 4.4Å; L247-F252 WeakPolarHBondContact O-CB 3.37Å; L247-F252 PolarHBondContact O-N 3.15Å
248E98.6Very high98.5Very high82 Ų8281.7 Ų81.738%0.38346%0.459SS..Hα-helixtrans-67.5-39.6177.7-61-62.1177.100111.5L244 G250 G251 R253L244-E248 WeakPolarHBondContact O-CG 3.23Å; L244-E248 PolarHBondContact O-N 3.49Å; E248-G250 PolarHBondContact O-N 3.09Å; E248-G251 PolarHBondContact O-N 3.35Å; E248-R253 IonicContact OE1-CZ 3.87Å; E248-R253 IonicContact OE1-NE 3.95Å; E248-R253 PolarHBondContact OE1-NE 3.12Å; E248-R253 IonicContact OE1-NH2 2.74Å; E248-R253 PolarHBondContact OE1-NH2 3.48Å; E248-R253 IonicContact OE2-NE 2.98Å; E248-R253 PolarHBondContact OE2-NE 3.42Å
249S98.4Very high98.5Very high88 Ų8882.1 Ų82.162%0.61546%0.46SS*.Hα-helixtrans-61.7-29.8176.2-65.20000112.8H245 F246H245-S249 WeakPolarHBondContact O-CB 3.46Å; H245-S249 PolarHBondContact O-N 3.06Å; H245-S249 PolarHBondContact O-OG 2.95Å; F246-S249 PolarHBondContact O-N 3.25Å
250G98.1Very high98.6Very high58 Ų5880 Ų8060%0.59844%0.438SS*.THydrogen-bonded Turntrans-86.50.7174.900000114.9F246 L247 E248F246-G250 PolarHBondContact O-N 3.15Å; F246-G250 VanDerWaalsContact O-N 3.11Å; L247-G250 PolarHBondContact O-N 3.37Å; E248-G250 PolarHBondContact O-N 3.09Å
251G98.4Very high98.6Very high22 Ų2282.6 Ų82.623%0.22745%0.447CS..THydrogen-bonded Turntrans68.434.6-177.100000113.7L247 E248 R253 S254 L255L247-G251 PolarHBondContact O-N 3.12Å; E248-G251 PolarHBondContact O-N 3.35Å; G251-R253 PolarHBondContact O-N 2.86Å; G251-R253 VanDerWaalsContact O-N 3.13Å; G251-S254 PolarHBondContact O-N 3.06Å; G251-S254 VanDerWaalsContact O-N 3.08Å; G251-S254 PolarHBondContact O-OG 3.31Å; G251-L255 PolarHBondContact O-N 3.42Å
252F98.7Very high98.6Very high92 Ų9281.8 Ų81.840%0.40445%0.451SS..Hα-helixtrans-51.2-41.8-176.8177.3-104.9000113.5L247 L255 L256L247-F252 HydrophobicContact CB-CB 3.96Å; L247-F252 HydrophobicContact CB-CG 4.34Å; L247-F252 HydrophobicContact CD2-CD2 4.4Å; L247-F252 WeakPolarHBondContact O-CB 3.37Å; L247-F252 PolarHBondContact O-N 3.15Å; F252-L255 PolarHBondContact O-N 2.89Å; F252-L256 HydrophobicContact CD1-CD1 4.29Å; F252-L256 HydrophobicContact CE1-CD1 3.66Å; F252-L256 HydrophobicContact CZ-CD1 3.8Å; F252-L256 HydrophobicContact CZ-CG 4.5Å; F252-L256 PolarHBondContact O-N 2.96Å
253R98.7Very high98.6Very high126 Ų12677.3 Ų77.348%0.47543%0.432SS..Hα-helixtrans-66.2-42.3179.5-61.8179.2-174.3-83.7-9.8112.8E248 G251 L255 L256 I257E248-R253 IonicContact OE1-CZ 3.87Å; E248-R253 IonicContact OE1-NE 3.95Å; E248-R253 PolarHBondContact OE1-NE 3.12Å; E248-R253 IonicContact OE1-NH2 2.74Å; E248-R253 PolarHBondContact OE1-NH2 3.48Å; E248-R253 IonicContact OE2-NE 2.98Å; E248-R253 PolarHBondContact OE2-NE 3.42Å; G251-R253 PolarHBondContact O-N 2.86Å; G251-R253 VanDerWaalsContact O-N 3.13Å; R253-L255 VanDerWaalsContact C-N 3.3Å; R253-L255 PolarHBondContact O-N 3.28Å; R253-L256 PolarHBondContact O-N 3.45Å; R253-I257 WeakPolarHBondContact O-CG1 3.47Å; R253-I257 PolarHBondContact O-N 3.19Å; R253-I257 VanDerWaalsContact O-N 3.1Å
254S98.7Very high98.5Very high55 Ų5575 Ų7539%0.38541%0.413SS..Hα-helixtrans-67.1-34.8-178.859.80000111.3G251 L256 I257 N258G251-S254 PolarHBondContact O-N 3.06Å; G251-S254 VanDerWaalsContact O-N 3.08Å; G251-S254 PolarHBondContact O-OG 3.31Å; S254-L256 VanDerWaalsContact C-N 3.34Å; S254-L256 PolarHBondContact O-N 3.19Å; S254-I257 PolarHBondContact O-N 2.87Å; S254-N258 WeakPolarHBondContact O-CB 3.4Å; S254-N258 PolarHBondContact O-N 3.28Å; S254-N258 PolarHBondContact O-ND2 3.1Å; S254-N258 PolarHBondContact O-OD1 3.29Å
255L98.8Very high98.5Very high107 Ų10776.9 Ų76.956%0.5642%0.422SS*.Hα-helixtrans-61.3-40.4174.7-64.6176.8000112.7G251 F252 R253 A259G251-L255 PolarHBondContact O-N 3.42Å; F252-L255 PolarHBondContact O-N 2.89Å; R253-L255 VanDerWaalsContact C-N 3.3Å; R253-L255 PolarHBondContact O-N 3.28Å; L255-A259 WeakPolarHBondContact O-CB 3.41Å; L255-A259 PolarHBondContact O-N 2.98Å
256L98.8Very high98.3Very high77 Ų7776.4 Ų76.440%0.40342%0.415SS..Hα-helixtrans-68-41.4176.2-67.1174.2000111.9F252 R253 S254 A259 V260F252-L256 HydrophobicContact CD1-CD1 4.29Å; F252-L256 HydrophobicContact CE1-CD1 3.66Å; F252-L256 HydrophobicContact CZ-CD1 3.8Å; F252-L256 HydrophobicContact CZ-CG 4.5Å; F252-L256 PolarHBondContact O-N 2.96Å; R253-L256 PolarHBondContact O-N 3.45Å; S254-L256 VanDerWaalsContact C-N 3.34Å; S254-L256 PolarHBondContact O-N 3.19Å; L256-A259 PolarHBondContact O-N 3.45Å; L256-V260 WeakPolarHBondContact O-CG2 3.39Å; L256-V260 PolarHBondContact O-N 3.25Å; L256-V260 VanDerWaalsContact O-N 3.12Å
257I98.8Very high98Very high112 Ų11269 Ų6957%0.57438%0.383SS*.Hα-helixtrans-59.7-49.3175-66.6164.8000110R253 S254 A259 V260 E261R253-I257 WeakPolarHBondContact O-CG1 3.47Å; R253-I257 PolarHBondContact O-N 3.19Å; R253-I257 VanDerWaalsContact O-N 3.1Å; S254-I257 PolarHBondContact O-N 2.87Å; I257-A259 VanDerWaalsContact C-N 3.28Å; I257-A259 PolarHBondContact O-N 2.93Å; I257-V260 PolarHBondContact O-N 3.49Å; I257-E261 WeakPolarHBondContact O-CB 3.45Å; I257-E261 PolarHBondContact O-N 3.41Å
258N98.8Very high97.7Very high83 Ų8371.4 Ų71.444%0.44439%0.387SS..Hα-helixtrans-61.3-36.2179-65.7-5000111.9S254 A262S254-N258 WeakPolarHBondContact O-CB 3.4Å; S254-N258 PolarHBondContact O-N 3.28Å; S254-N258 PolarHBondContact O-ND2 3.1Å; S254-N258 PolarHBondContact O-OD1 3.29Å; N258-A262 VanDerWaalsContact O-CB 3.23Å; N258-A262 WeakPolarHBondContact O-CB 3.41Å; N258-A262 PolarHBondContact O-N 2.93Å
259A98.8Very high97.3Very high31 Ų3171.8 Ų71.826%0.25639%0.389SS..Hα-helixtrans-66-44.7177.700000112.2Y182 L255 L256 I257 S263Y182-A259 HydrophobicContact CE1-CB 4.1Å; Y182-A259 HydrophobicContact CE2-CB 4.46Å; Y182-A259 PolarHBondContact OH-O 3.33Å; L255-A259 WeakPolarHBondContact O-CB 3.41Å; L255-A259 PolarHBondContact O-N 2.98Å; L256-A259 PolarHBondContact O-N 3.45Å; I257-A259 VanDerWaalsContact C-N 3.28Å; I257-A259 PolarHBondContact O-N 2.93Å; A259-S263 WeakPolarHBondContact O-CB 3.23Å; A259-S263 PolarHBondContact O-N 2.91Å
260V98.7Very high96.5Very high42 Ų4270.2 Ų70.226%0.25537%0.373SS..Hα-helixtrans-63.5-46.5176173.80000110.4L175 Y182 L256 I257 S263 C264L175-V260 HydrophobicContact CB-CG1 4.49Å; L175-V260 HydrophobicContact CD1-CG2 4.18Å; Y182-V260 HydrophobicContact CE2-CG2 4.3Å; L256-V260 WeakPolarHBondContact O-CG2 3.39Å; L256-V260 PolarHBondContact O-N 3.25Å; L256-V260 VanDerWaalsContact O-N 3.12Å; I257-V260 PolarHBondContact O-N 3.49Å; V260-S263 PolarHBondContact O-N 3.49Å; V260-C264 WeakPolarHBondContact O-CB 3.48Å; V260-C264 PolarHBondContact O-N 3.09Å
261E98.8Very high95.8Very high111 Ų11169.5 Ų69.552%0.51935%0.354SS..Hα-helixtrans-57.4-53.5177178.4179.3-135.100111.4I257 S263 C264 I265I257-E261 WeakPolarHBondContact O-CB 3.45Å; I257-E261 PolarHBondContact O-N 3.41Å; E261-S263 VanDerWaalsContact C-N 3.29Å; E261-S263 PolarHBondContact O-N 3.23Å; E261-C264 PolarHBondContact O-N 2.84Å; E261-C264 VanDerWaalsContact O-N 3.15Å; E261-I265 HydrophobicContact CG-CD1 3.64Å; E261-I265 HydrophobicContact CG-CG1 4.31Å; E261-I265 WeakPolarHBondContact O-CG1 3.47Å; E261-I265 PolarHBondContact O-N 3.35Å
262A98.6Very high95Very high57 Ų5774 Ų7447%0.47137%0.368SS..Hα-helixtrans-59.6-40-179.100000112.1N258 R266N258-A262 VanDerWaalsContact O-CB 3.23Å; N258-A262 WeakPolarHBondContact O-CB 3.41Å; N258-A262 PolarHBondContact O-N 2.93Å; A262-R266 VanDerWaalsContact O-CB 3.27Å; A262-R266 WeakPolarHBondContact O-CB 3.41Å; A262-R266 PolarHBondContact O-N 3.48Å
263S97.5Very high93.9Very high20 Ų2072.8 Ų72.814%0.1437%0.365CS..Hα-helixtrans-67.6-39.5177.2-173.50000112.3G174 S178 Y182 A259 V260 E261 T267G174-S263 WeakPolarHBondContact CA-OG 3.36Å; S178-S263 PolarHBondContact OG-OG 3.37Å; Y182-S263 WeakPolarHBondContact OH-CB 3.41Å; A259-S263 WeakPolarHBondContact O-CB 3.23Å; A259-S263 PolarHBondContact O-N 2.91Å; V260-S263 PolarHBondContact O-N 3.49Å; E261-S263 VanDerWaalsContact C-N 3.29Å; E261-S263 PolarHBondContact O-N 3.23Å; S263-T267 PolarHBondContact O-N 3.48Å; S263-T267 VanDerWaalsContact O-N 3.11Å; S263-T267 PolarHBondContact O-OG1 3.42Å
264C97.5Very high92.6Very high11 Ų1167.6 Ų67.67%0.07435%0.349CS..Hα-helixtrans-65.7-50.2175.4178.10000111.3V260 E261 R266 T267 R268V260-C264 WeakPolarHBondContact O-CB 3.48Å; V260-C264 PolarHBondContact O-N 3.09Å; E261-C264 PolarHBondContact O-N 2.84Å; E261-C264 VanDerWaalsContact O-N 3.15Å; C264-R266 VanDerWaalsContact C-N 3.3Å; C264-R266 PolarHBondContact O-N 3.08Å; C264-T267 WeakPolarHBondContact O-CB 3.48Å; C264-T267 PolarHBondContact O-N 3.19Å; C264-R268 PolarHBondContact O-N 2.94Å; C264-R268 VanDerWaalsContact O-N 3.09Å
265I97.4Very high91.3Very high74 Ų7469.1 Ų69.138%0.37935%0.353SS..Hα-helixtrans-56.4-46.9177.3-68.9173000110.2E261 T267 R268 E269E261-I265 HydrophobicContact CG-CD1 3.64Å; E261-I265 HydrophobicContact CG-CG1 4.31Å; E261-I265 WeakPolarHBondContact O-CG1 3.47Å; E261-I265 PolarHBondContact O-N 3.35Å; I265-T267 VanDerWaalsContact C-N 3.26Å; I265-T267 PolarHBondContact O-N 3.16Å; I265-R268 WeakPolarHBondContact O-CB 3.45Å; I265-R268 PolarHBondContact O-N 3.08Å; I265-E269 HydrophobicContact CG2-CG 4.47Å; I265-E269 WeakPolarHBondContact O-CG 3.46Å; I265-E269 PolarHBondContact O-N 3.49Å
266R94.7Very high89.8Confident115 Ų11567.5 Ų67.543%0.43434%0.343SS..Hα-helixtrans-62.5-34.8179-177.955.7-175.4161.34.3112.6A262 C264 E269 L270A262-R266 VanDerWaalsContact O-CB 3.27Å; A262-R266 WeakPolarHBondContact O-CB 3.41Å; A262-R266 PolarHBondContact O-N 3.48Å; C264-R266 VanDerWaalsContact C-N 3.3Å; C264-R266 PolarHBondContact O-N 3.08Å; R266-E269 VanDerWaalsContact CD-OE2 3.27Å; R266-E269 WeakPolarHBondContact CD-OE2 3.06Å; R266-E269 IonicContact CZ-OE2 2.8Å; R266-E269 IonicContact NE-OE2 2.82Å; R266-E269 IonicContact NH1-OE2 3.2Å; R266-E269 PolarHBondContact NH1-OE2 3.43Å; R266-E269 PolarHBondContact O-N 3.01Å; R266-L270 HydrophobicContact CG-CD1 4.49Å; R266-L270 VanDerWaalsContact O-CG 3.3Å; R266-L270 WeakPolarHBondContact O-CG 3.44Å; R266-L270 PolarHBondContact O-N 3.3Å
267T91.8Very high88.1Confident7 Ų770.7 Ų70.74%0.04336%0.355CS..Hα-helixtrans-64.8-43.4176.7-58.40000111A99 D170 T173 S263 C264 I265 L270 Q271A99-T267 HydrophobicContact CB-CG2 4.39Å; D170-T267 HydrophobicContact CB-CG2 4.31Å; T173-T267 HydrophobicContact CG2-CG2 4.26Å; T173-T267 WeakPolarHBondContact CG2-OG1 3.38Å; S263-T267 PolarHBondContact O-N 3.48Å; S263-T267 VanDerWaalsContact O-N 3.11Å; S263-T267 PolarHBondContact O-OG1 3.42Å; C264-T267 WeakPolarHBondContact O-CB 3.48Å; C264-T267 PolarHBondContact O-N 3.19Å; I265-T267 VanDerWaalsContact C-N 3.26Å; I265-T267 PolarHBondContact O-N 3.16Å; T267-L270 WeakPolarHBondContact O-CB 3.47Å; T267-L270 PolarHBondContact O-N 3.14Å; T267-Q271 PolarHBondContact O-N 3.22Å
268R92.5Very high85.9Confident130 Ų13073.9 Ų73.949%0.49136%0.36SS..Hα-helixtrans-64.2-38174.1-67.8171.4177.6170.3-0.8112.8D170 C264 I265 Q271 F272D170-R268 HydrophobicContact CB-CG 4.19Å; D170-R268 VanDerWaalsContact OD2-CG 3.28Å; D170-R268 WeakPolarHBondContact OD2-CG 3.19Å; D170-R268 IonicContact OD2-NE 2.75Å; C264-R268 PolarHBondContact O-N 2.94Å; C264-R268 VanDerWaalsContact O-N 3.09Å; I265-R268 WeakPolarHBondContact O-CB 3.45Å; I265-R268 PolarHBondContact O-N 3.08Å; R268-Q271 WeakPolarHBondContact O-CB 3.41Å; R268-Q271 PolarHBondContact O-N 3.38Å; R268-F272 PolarHBondContact O-N 3.41Å
269E90.3Very high83.8Confident89 Ų8972.2 Ų72.242%0.41635%0.351SS..Hα-helixtrans-63.5-42173.3-71174.7-177.700112I265 R266 Q271 F272 L273I265-E269 HydrophobicContact CG2-CG 4.47Å; I265-E269 WeakPolarHBondContact O-CG 3.46Å; I265-E269 PolarHBondContact O-N 3.49Å; R266-E269 VanDerWaalsContact CD-OE2 3.27Å; R266-E269 WeakPolarHBondContact CD-OE2 3.06Å; R266-E269 IonicContact CZ-OE2 2.8Å; R266-E269 IonicContact NE-OE2 2.82Å; R266-E269 IonicContact NH1-OE2 3.2Å; R266-E269 PolarHBondContact NH1-OE2 3.43Å; R266-E269 PolarHBondContact O-N 3.01Å; E269-Q271 VanDerWaalsContact C-N 3.31Å; E269-Q271 PolarHBondContact O-N 2.94Å; E269-F272 PolarHBondContact O-N 3.23Å; E269-L273 WeakPolarHBondContact O-CB 3.49Å; E269-L273 VanDerWaalsContact O-CG 3.27Å; E269-L273 WeakPolarHBondContact O-CG 3.33Å; E269-L273 PolarHBondContact O-N 3.05Å
270L82.5Confident81.1Confident56 Ų5674 Ų7429%0.29336%0.361SS..Hα-helixtrans-63.1-39.5177.7-73.8172000111.7R266 T267 A274R266-L270 HydrophobicContact CG-CD1 4.49Å; R266-L270 VanDerWaalsContact O-CG 3.3Å; R266-L270 WeakPolarHBondContact O-CG 3.44Å; R266-L270 PolarHBondContact O-N 3.3Å; T267-L270 WeakPolarHBondContact O-CB 3.47Å; T267-L270 PolarHBondContact O-N 3.14Å; L270-A274 WeakPolarHBondContact O-CB 3.5Å; L270-A274 PolarHBondContact O-N 3.44Å
271Q83.1Confident78.6Confident42 Ų4277.4 Ų77.420%0.19638%0.384CS..Hα-helixtrans-57.3-55.3171.3177.6177.5-13.800111.1G100 T102 T267 R268 E269 L273 A274 D275G100-Q271 WeakPolarHBondContact O-CA 3.29Å; G100-Q271 WeakPolarHBondContact O-CB 3.42Å; G100-Q271 WeakPolarHBondContact O-CG 3.26Å; T102-Q271 VanDerWaalsContact CG2-CD 3.49Å; T102-Q271 HydrophobicContact CG2-CG 4.15Å; T267-Q271 PolarHBondContact O-N 3.22Å; R268-Q271 WeakPolarHBondContact O-CB 3.41Å; R268-Q271 PolarHBondContact O-N 3.38Å; E269-Q271 VanDerWaalsContact C-N 3.31Å; E269-Q271 PolarHBondContact O-N 2.94Å; Q271-L273 VanDerWaalsContact C-N 3.28Å; Q271-L273 PolarHBondContact O-N 3.19Å; Q271-A274 WeakPolarHBondContact O-CA 3.43Å; Q271-A274 WeakPolarHBondContact O-CB 3.39Å; Q271-A274 PolarHBondContact O-N 2.77Å; Q271-D275 PolarHBondContact O-N 3.48Å
272F81.3Confident76Confident118 Ų11876.3 Ų76.352%0.51839%0.394SS..Hα-helixtrans-58.4-39.7-178.4-179.6-98000112.8R268 E269 Q276R268-F272 PolarHBondContact O-N 3.41Å; E269-F272 PolarHBondContact O-N 3.23Å; F272-Q276 WeakPolarHBondContact O-CG 3.45Å; F272-Q276 PolarHBondContact O-N 2.92Å
273L76.8Confident73.6Confident66 Ų6676 Ų7635%0.34639%0.391SS..Hα-helixtrans-67.4-36.1176-70.3171.9000112.6E269 Q271 R278E269-L273 WeakPolarHBondContact O-CB 3.49Å; E269-L273 VanDerWaalsContact O-CG 3.27Å; E269-L273 WeakPolarHBondContact O-CG 3.33Å; E269-L273 PolarHBondContact O-N 3.05Å; Q271-L273 VanDerWaalsContact C-N 3.28Å; Q271-L273 PolarHBondContact O-N 3.19Å; L273-R278 PolarHBondContact O-N 3.22Å
274A70.1Confident71.3Confident16 Ų1677.6 Ų77.613%0.13240%0.398CS..Hα-helixtrans-68.3-43.5175.600000111.4L270 Q271 Q276 E277L270-A274 WeakPolarHBondContact O-CB 3.5Å; L270-A274 PolarHBondContact O-N 3.44Å; Q271-A274 WeakPolarHBondContact O-CA 3.43Å; Q271-A274 WeakPolarHBondContact O-CB 3.39Å; Q271-A274 PolarHBondContact O-N 2.77Å; A274-Q276 VanDerWaalsContact C-N 3.26Å; A274-Q276 PolarHBondContact O-N 3.07Å; A274-E277 PolarHBondContact O-N 2.75Å; A274-E277 VanDerWaalsContact O-N 3.08Å
275D70.9Confident68.7Low87 Ų8784.4 Ų84.447%0.46543%0.426SS..Hα-helixtrans-63.2-31.3179.7-69.9-23.5000112.9Q271 E277Q271-D275 PolarHBondContact O-N 3.48Å; D275-E277 VanDerWaalsContact C-N 3.34Å
276Q68.4Low65.9Low74 Ų7489.6 Ų89.635%0.34645%0.446SS..THydrogen-bonded Turntrans-85.6-3177.5-68-166.5-500114F272 A274 R278F272-Q276 WeakPolarHBondContact O-CG 3.45Å; F272-Q276 PolarHBondContact O-N 2.92Å; A274-Q276 VanDerWaalsContact C-N 3.26Å; A274-Q276 PolarHBondContact O-N 3.07Å; Q276-R278 HydrophobicContact CB-CB 4.05Å; Q276-R278 HydrophobicContact CB-CG 3.96Å; Q276-R278 PolarHBondContact O-N 3.3Å
277E63.2Low63.6Low143 Ų14388.8 Ų88.867%0.66845%0.454SS*.THydrogen-bonded Turntrans50.415.9-168-60.7-176.6168.700113.3A274 D275 I279A274-E277 PolarHBondContact O-N 2.75Å; A274-E277 VanDerWaalsContact O-N 3.08Å; D275-E277 VanDerWaalsContact C-N 3.34Å; E277-I279 PolarHBondContact O-N 3.2Å
278R52.6Low61.6Low180 Ų18091 Ų9168%0.67947%0.467SS*.  trans-87.465.9-177.8-77.3-174.2-176161.5-8.1109.4L273 Q276L273-R278 PolarHBondContact O-N 3.22Å; Q276-R278 HydrophobicContact CB-CB 4.05Å; Q276-R278 HydrophobicContact CB-CG 3.96Å; Q276-R278 PolarHBondContact O-N 3.3Å
279I53.6Low59.2Low48 Ų4888.6 Ų88.625%0.24646%0.464CS..  trans-105.9120177.4-51.7-177.4000107.1H75 E277 A283H75-I279 HydrophobicContact CB-CD1 3.24Å; H75-I279 HydrophobicContact CB-CG2 4.25Å; E277-I279 PolarHBondContact O-N 3.2Å; I279-A283 HydrophobicContact CG2-CB 3.85Å
280S43.3Very low57Low67 Ų6788.5 Ų88.547%0.46947%0.466SS..  trans-61.2141.2-179.273.90000109.8A282 A283S280-A282 PolarHBondContact O-N 3.33Å; S280-A283 WeakPolarHBondContact O-CB 3.37Å; S280-A283 PolarHBondContact O-N 3.11Å; S280-A283 PolarHBondContact OG-N 3.26Å
281P45.2Very low55.2Low115 Ų11593.3 Ų93.375%0.74749%0.485SS*.THydrogen-bonded Turntrans-54.8-20.5174.6-26.533.7000113.6
282A45.3Very low53.6Low87 Ų8794.9 Ų94.972%0.71950%0.497SS*.THydrogen-bonded Turntrans-77.6-27.3175.700000114S280 I284S280-A282 PolarHBondContact O-N 3.33Å; A282-I284 VanDerWaalsContact C-N 3.3Å
283A46.7Very low51.9Low50 Ų5094.8 Ų94.841%0.41350%0.501SS..THydrogen-bonded Turntrans-74.5-25.2173.300000111.9I279 S280 K285I279-A283 HydrophobicContact CG2-CB 3.85Å; S280-A283 WeakPolarHBondContact O-CB 3.37Å; S280-A283 PolarHBondContact O-N 3.11Å; S280-A283 PolarHBondContact OG-N 3.26Å; A283-K285 VanDerWaalsContact C-N 3.32Å; A283-K285 PolarHBondContact O-N 3.01Å
284I49.7Very low50.2Low54 Ų5499 Ų9928%0.27752%0.519SS..SBendtrans-74.586.7163.4-51.2173.5000106.5A282 K286A282-I284 VanDerWaalsContact C-N 3.3Å; I284-K286 PolarHBondContact O-N 3.37Å; I284-K286 VanDerWaalsContact O-N 3.14Å
285K42.3Very low48.6Very low154 Ų154104.2 Ų104.267%0.6754%0.541SS*.  trans-49.3130.2170-89.3-171.1176.3-174.70108.6A283 T287A283-K285 VanDerWaalsContact C-N 3.32Å; A283-K285 PolarHBondContact O-N 3.01Å; K285-T287 PolarHBondContact O-N 3.39Å; K285-T287 PolarHBondContact O-OG1 3.13Å
286K40.6Very low46.8Very low183 Ų183106.6 Ų106.680%0.79656%0.561SS**SBendtrans-64.656.6-175.4-157.3-177.4-171.5-178.30113.4I284I284-K286 PolarHBondContact O-N 3.37Å; I284-K286 VanDerWaalsContact O-N 3.14Å
287T45.3Very low45.5Very low98 Ų98106.7 Ų106.760%0.60158%0.582SS**SBendtrans-141.97.8-172.941.10000115.7K285K285-T287 PolarHBondContact O-N 3.39Å; K285-T287 PolarHBondContact O-OG1 3.13Å
288T49.7Very low44.2Very low53 Ų53104.6 Ų104.633%0.32558%0.579SS.*SBendtrans-147.4-39.8179.5-380000114.5P37 D290 K291 V292P37-T288 HydrophobicContact CB-CG2 3.81Å; P37-T288 HydrophobicContact CG-CG2 3.44Å; P37-T288 VanDerWaalsContact CG-CG2 3.44Å; T288-D290 PolarHBondContact O-N 2.82Å; T288-K291 PolarHBondContact O-N 3.08Å; T288-V292 HydrophobicContact CG2-CG2 4.16Å; T288-V292 VanDerWaalsContact O-CG2 3.28Å; T288-V292 WeakPolarHBondContact O-CG2 3.3Å; T288-V292 PolarHBondContact O-N 3.2Å
289L43.1Very low43.2Very low81 Ų81100.6 Ų100.642%0.42458%0.584SS.*Hα-helixtrans-61.6-45.5-179-154.682.5000112.3K291 V292 L293L289-K291 VanDerWaalsContact C-N 3.27Å; L289-K291 PolarHBondContact O-N 3.28Å; L289-V292 PolarHBondContact O-N 2.92Å; L289-L293 HydrophobicContact CD2-CD1 4.39Å; L289-L293 HydrophobicContact CG-CD1 4.18Å; L289-L293 WeakPolarHBondContact O-CG 3.2Å; L289-L293 PolarHBondContact O-N 3Å
290D42.9Very low42.4Very low86 Ų86104.6 Ų104.646%0.4661%0.61SS.*Hα-helixtrans-64.6-28.7179.7-65.6-24.2000113.1T288 Q294T288-D290 PolarHBondContact O-N 2.82Å; D290-Q294 WeakPolarHBondContact O-CG 3.33Å
291K45.7Very low41.8Very low158 Ų158104.9 Ų104.969%0.68762%0.624SS**Hα-helixtrans-84.9-30.1178.5-71.2-175.7177.1-178.40112.6T288 L289T288-K291 PolarHBondContact O-N 3.08Å; L289-K291 VanDerWaalsContact C-N 3.27Å; L289-K291 PolarHBondContact O-N 3.28Å
292V49.1Very low41Very low74 Ų74103 Ų10345%0.44863%0.626SS.*Hα-helixtrans-71.3-40.4174.9170.90000110.5T288 L289 Q294T288-V292 HydrophobicContact CG2-CG2 4.16Å; T288-V292 VanDerWaalsContact O-CG2 3.28Å; T288-V292 WeakPolarHBondContact O-CG2 3.3Å; T288-V292 PolarHBondContact O-N 3.2Å; L289-V292 PolarHBondContact O-N 2.92Å; V292-Q294 PolarHBondContact O-N 2.86Å
293L44.6Very low40.3Very low116 Ų116106.9 Ų106.961%0.60764%0.635SS**THydrogen-bonded Turntrans-72.7-12.2177.8-67.9170.2000114.2L289L289-L293 HydrophobicContact CD2-CD1 4.39Å; L289-L293 HydrophobicContact CG-CD1 4.18Å; L289-L293 WeakPolarHBondContact O-CG 3.2Å; L289-L293 PolarHBondContact O-N 3Å
294Q41.8Very low39.5Very low156 Ų156109.3 Ų109.373%0.72966%0.655SS**THydrogen-bonded Turntrans-97.26.3-180-76.5178.510.300114.1D290 V292D290-Q294 WeakPolarHBondContact O-CG 3.33Å; V292-Q294 PolarHBondContact O-N 2.86Å
295Q36.8Very low38.5Very low124 Ų124110.5 Ų110.558%0.57968%0.68SS**SBendtrans-75.5134.1175.8-65.3-172.4900111.3G297Q295-G297 PolarHBondContact O-N 3.39Å; Q295-G297 VanDerWaalsContact O-N 3.11Å
296P33.5Very low37.7Very low137 Ų137106.8 Ų106.889%0.8969%0.686SS**THydrogen-bonded Turntrans-69.4110.1176.727.2-29.8000109.2
297G41Very low37.1Very low76 Ų76106.6 Ų106.678%0.78469%0.693SS**THydrogen-bonded Turntrans151.7-15.9179.900000115.2Q295 A299Q295-G297 PolarHBondContact O-N 3.39Å; Q295-G297 VanDerWaalsContact O-N 3.11Å; G297-A299 PolarHBondContact O-N 3.02Å; G297-A299 VanDerWaalsContact O-N 3.15Å
298V36.3Very low36.2Very low99 Ų99105.6 Ų105.660%0.670%0.703SS**  trans-84.586.6171.3-172.20000108.7V300V298-V300 PolarHBondContact O-N 3.45Å; V298-V300 VanDerWaalsContact O-N 3.15Å
299A31.3Very low35.4Very low96 Ų96115 Ų11579%0.79373%0.732SS**  trans-68.2107.1166.800000108.4G297 G301G297-A299 PolarHBondContact O-N 3.02Å; G297-A299 VanDerWaalsContact O-N 3.15Å; A299-G301 PolarHBondContact O-N 2.96Å
300V37Very low34.9Very low132 Ų132117.1 Ų117.180%0.875%0.754SS**  trans-68.8111.7162.8-178.80000106.1V298 G302V298-V300 PolarHBondContact O-N 3.45Å; V298-V300 VanDerWaalsContact O-N 3.15Å; V300-G302 PolarHBondContact O-N 2.81Å; V300-G302 VanDerWaalsContact O-N 3.09Å
301G30Very low34.1Very low73 Ų73115.9 Ų115.975%0.75376%0.762SS**  trans-54.2115172.700000109.4A299A299-G301 PolarHBondContact O-N 2.96Å
302G28.9Very low33.3Very low77 Ų77115.5 Ų115.579%0.79477%0.766SS**  trans-74129.8173.300000109.5V300V300-G302 PolarHBondContact O-N 2.81Å; V300-G302 VanDerWaalsContact O-N 3.09Å
303D29Very low32.3Very low168 Ų168117.9 Ų117.990%0.89878%0.776SS**  trans-104.1116.3161.4-142.31.5000108.1
304A31.9Very low31.5Very low101 Ų101117.5 Ų117.584%0.83577%0.774SS**  trans-93.1122.3178.700000108.6
305G26.8Very low30.9Very low78 Ų78117.9 Ų117.980%0.80477%0.774SS**  trans-168.474.3179.400000115.2
306G26.7Very low30.7Very low77 Ų77117.8 Ų117.879%0.79478%0.777SS**  trans59.6121.813300000122.6
307N28.4Very low30.6Very low179 Ų179116.5 Ų116.596%0.95776%0.763SS**  trans75.6126.8140.9-91.5-10.8000121.3
308G26.8Very low30.2Very low77 Ų77123 Ų12379%0.79476%0.764SS**  trans154.689.5151.200000115.5
309R31.7Very low30.1Very low249 Ų249123.9 Ų123.994%0.9477%0.769SS**  trans-55.3143.1167-78170.7163.2166.9-5.7112.8
310S31.7Very low30.3Very low127 Ų127124.8 Ų124.889%0.88877%0.77SS**  trans153.6137.8136.455.70000108.2
311G27.6Very low30.1Very low60 Ų60121.7 Ų121.762%0.61977%0.765SS**  cis-175.9157.4-0.400000108.1
312L27.6Very low30.4Very low150 Ų150124.5 Ų124.579%0.78577%0.767SS**  trans40.8118.3145.4-65.6116.6000117.4
313N28.6Very low30.7Very low123 Ų123129.4 Ų129.466%0.65877%0.767SS**  134.8158.765.6-101.1-1000104.1
314L27.3Very low31Very low109 Ų109129.9 Ų129.957%0.57176%0.76SS**  cis179.8147.53.3-110.9165.7000104.6
315F31Very low31.2Very low164 Ų164133.8 Ų133.872%0.71976%0.759SS**  trans61154.9156-67.5-61.3000116.3
316N32Very low31.9Very low121 Ų121141.1 Ų141.165%0.64778%0.78SS**  cis-170.8160-1.8-116.8-16.9000100
317N31.3Very low32.2Very low110 Ų110144.4 Ų144.459%0.58878%0.779SS**  cis-172.3151.522.2-127.8-27.7000104.4
318R33.4Very low32.4Very low214 Ų214142.5 Ų142.581%0.80877%0.77SS**  23.2135.2125.8-66.9-178.2179-175.1-0.2116.9
319T33.8Very low32.7Very low116 Ų116146.2 Ų146.271%0.71277%0.768SS**  cis175146.930.910.90000109.3
320S34.6Very low32.8Very low116 Ų116140.1 Ų140.181%0.81176%0.758SS**  trans55.4135.9135.1710000123.6
321G33.2Very low32.8Very low67 Ų67140.9 Ų140.969%0.69175%0.75SS**  trans117.988.8142.200000113.4
322V36Very low33.2Very low131 Ų131146.3 Ų146.379%0.79476%0.759SS**  64.3114.775.2-175.30000114.8
323K35Very low33.6Very low181 Ų181146.1 Ų146.179%0.78776%0.757SS**  trans89112.3145.9-85.4173.1-173.3177.30122.4
324K35.7Very low34Very low177 Ų177147.8 Ų147.877%0.7776%0.764SS**  67.5132113.4-90.5-173.9175.8178.40122
325K36.5Very low34.5Very low184 Ų184151.1 Ų151.180%0.878%0.781SS**  trans71.8135.8150.1-69.8-174.7171.6-169.20115
326N41.8Very low34.8Very low232 Ų232149.9 Ų149.9100%1.24179%0.786SS**  cis-119023.1-75.5-34.8000114

Retrieved 326 of 326 residues in 56.7 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).