A0A087XIV4_POEFO Loading...

Par-3 family cell polarity regulator beta b

AlphaFold DB , UniProt , Accession A0A087XIV4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,207 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
1M78.2Confident88Confident72 Ų7258.5 Ų58.536%0.35533%0.333SS..  01660-164.5159.567.100111.2V3 P15 C16 L64 K71M1-V3 HydrophobicContact CE-CG2 4.33Å; M1-V3 HydrophobicContact CG-CG2 4.43Å; M1-P15 CarbonylContact O-C 3.47Å; M1-C16 CarbonylContact C-O 3.54Å; M1-C16 WeakPolarHBondContact CA-O 3.39Å; M1-C16 HydrophobicContact CB-CB 4.16Å; M1-C16 WeakPolarHBondContact CB-O 3.46Å; M1-C16 HydrophobicContact CE-CB 3.87Å; M1-C16 PolarHBondContact N-O 2.69Å; M1-C16 PolarHBondContact O-N 3.26Å; M1-C16 VanDerWaalsContact O-O 3.13Å; M1-L64 HydrophobicContact CE-CB 3.86Å; M1-L64 HydrophobicContact CE-CD2 3.76Å; M1-L64 HydrophobicContact CE-CG 3.72Å; M1-L64 VanDerWaalsContact CE-O 3.25Å; M1-L64 WeakPolarHBondContact CE-O 3.04Å; M1-K71 HydrophobicContact CG-CD 4.39Å; M1-K71 HydrophobicContact SD-CD 4.07Å; M1-K71 WeakPolarHBondContact SD-CE 3.48Å; M1-K71 PolarHBondContact SD-NZ 2.66Å
2K84.9Confident88.3Confident153 Ų15354 Ų5467%0.66531%0.308SS*.EExtended strand (participates in β ladder)trans-135.5146.9165.4-71-177.4-178177.30108.1V13 V14K2-V13 HydrophobicContact CB-CG1 4.44Å; K2-V13 HydrophobicContact CD-CG1 4.41Å; K2-V14 WeakPolarHBondContact CA-O 3Å
3V88.4Confident88.5Confident0 Ų054.9 Ų54.90%032%0.315CS..EExtended strand (participates in β ladder)trans-142.3141.9179.3-178.60000107.8M1 V14 L25 L64 K71 L74M1-V3 HydrophobicContact CE-CG2 4.33Å; M1-V3 HydrophobicContact CG-CG2 4.43Å; V3-V14 PolarHBondContact N-O 2.84Å; V3-V14 PolarHBondContact O-N 3.34Å; V3-L25 HydrophobicContact CB-CD1 4.2Å; V3-L25 HydrophobicContact CG1-CD1 4.21Å; V3-L25 HydrophobicContact CG1-CD2 3.83Å; V3-L64 HydrophobicContact CG2-CD2 3.85Å; V3-L64 HydrophobicContact CG2-CG 4.23Å; V3-K71 HydrophobicContact CG1-CB 4.36Å; V3-K71 HydrophobicContact CG1-CG 4.49Å; V3-K71 WeakPolarHBondContact CG1-O 3.43Å; V3-K71 HydrophobicContact CG2-CB 4.27Å; V3-K71 HydrophobicContact CG2-CD 4.1Å; V3-K71 HydrophobicContact CG2-CG 3.98Å; V3-L74 HydrophobicContact CG1-CD1 3.46Å; V3-L74 VanDerWaalsContact CG1-CD1 3.46Å; V3-L74 HydrophobicContact CG1-CG 4.36Å
4T90Very high88.7Confident34 Ų3451 Ų5121%0.20929%0.292CS..EExtended strand (participates in β ladder)trans-111.8120-177.4-51.50000109.6V13 K71 D72T4-V13 HydrophobicContact CG2-CG2 4.16Å; T4-K71 PolarHBondContact N-O 3.01Å; T4-D72 PolarHBondContact OG1-OD1 2.78Å
5V91.9Very high88.8Confident0 Ų051.6 Ų51.60%030%0.299CS..EExtended strand (participates in β ladder)trans-112.4118.9178.8-176.80000109.9F7 V12 L25 A29 V50 L74 A76V5-F7 HydrophobicContact CB-CE2 4.23Å; V5-F7 HydrophobicContact CG1-CD2 4.33Å; V5-F7 HydrophobicContact CG1-CE2 3.77Å; V5-F7 HydrophobicContact CG1-CZ 4.35Å; V5-V12 PolarHBondContact N-O 3.16Å; V5-V12 WeakPolarHBondContact O-CA 3.43Å; V5-V12 WeakPolarHBondContact O-CB 3.27Å; V5-V12 PolarHBondContact O-N 3.34Å; V5-L25 HydrophobicContact CG2-CD1 3.84Å; V5-L25 HydrophobicContact CG2-CD2 3.89Å; V5-L25 HydrophobicContact CG2-CG 3.96Å; V5-A29 HydrophobicContact CB-CB 4.07Å; V5-A29 HydrophobicContact CG1-CB 4.22Å; V5-A29 HydrophobicContact CG2-CB 4.14Å; V5-V50 HydrophobicContact CG1-CG2 3.92Å; V5-L74 CarbonylContact C-O 3.55Å; V5-L74 VanDerWaalsContact CA-O 3.24Å; V5-L74 WeakPolarHBondContact CA-O 3.25Å; V5-L74 HydrophobicContact CG2-CB 4.25Å; V5-L74 HydrophobicContact CG2-CD1 4.47Å; V5-A76 HydrophobicContact CG1-CB 3.76Å
6T91.9Very high88.7Confident37 Ų3748.6 Ų48.623%0.22728%0.282CS..EExtended strand (participates in β ladder)trans-92.2117.2-177.530.30000112.4L74 M75 A76T6-L74 PolarHBondContact N-O 3.07Å; T6-L74 PolarHBondContact OG1-O 3.46Å; T6-M75 PolarHBondContact OG1-SD 2.84Å; T6-A76 PolarHBondContact O-N 2.88Å
7F91.7Very high88.5Confident1 Ų154 Ų540%0.00430%0.301CS..EExtended strand (participates in β ladder)trans-96.992.3172.7-69.8-103.2000108.3V5 Q9 T10 V12 A29 Y33 T47 A76 Y78V5-F7 HydrophobicContact CB-CE2 4.23Å; V5-F7 HydrophobicContact CG1-CD2 4.33Å; V5-F7 HydrophobicContact CG1-CE2 3.77Å; V5-F7 HydrophobicContact CG1-CZ 4.35Å; F7-Q9 PolarHBondContact O-N 3.14Å; F7-T10 PolarHBondContact N-O 3.13Å; F7-T10 PolarHBondContact O-N 3.32Å; F7-V12 HydrophobicContact CD2-CB 4.14Å; F7-V12 HydrophobicContact CD2-CG2 3.75Å; F7-V12 HydrophobicContact CE2-CB 4.14Å; F7-V12 HydrophobicContact CE2-CG2 4.12Å; F7-A29 HydrophobicContact CE2-CB 3.87Å; F7-A29 HydrophobicContact CZ-CB 3.88Å; F7-Y33 HydrophobicContact CB-CD1 3.93Å; F7-Y33 HydrophobicContact CB-CD2 3.76Å; F7-Y33 HydrophobicContact CB-CE1 3.74Å; F7-Y33 HydrophobicContact CB-CE2 3.59Å; F7-Y33 HydrophobicContact CB-CG 3.94Å; F7-Y33 AromaticContact CD1-CD1 3.16Å; F7-Y33 HydrophobicContact CD1-CD1 3.16Å; F7-Y33 HydrophobicContact CD1-CD2 4.34Å; F7-Y33 AromaticContact CD1-CE1 3.52Å; F7-Y33 HydrophobicContact CD1-CE1 3.52Å; F7-Y33 AromaticContact CD1-CG 3.62Å; F7-Y33 HydrophobicContact CD1-CG 3.62Å; F7-Y33 HydrophobicContact CD2-CD1 4.35Å; F7-Y33 HydrophobicContact CD2-CD2 4.23Å; F7-Y33 AromaticContact CD2-CG 3.94Å; F7-Y33 HydrophobicContact CD2-CG 3.94Å; F7-Y33 AromaticContact CE1-CD1 3.66Å; F7-Y33 HydrophobicContact CE1-CD1 3.66Å; F7-Y33 HydrophobicContact CE1-CE1 4.39Å; F7-Y33 HydrophobicContact CE1-CG 4.05Å; F7-Y33 HydrophobicContact CE2-CG 4.37Å; F7-Y33 AromaticContact CG-CD1 3.57Å; F7-Y33 HydrophobicContact CG-CD1 3.57Å; F7-Y33 AromaticContact CG-CD2 3.87Å; F7-Y33 HydrophobicContact CG-CD2 3.87Å; F7-Y33 AromaticContact CG-CE1 3.87Å; F7-Y33 HydrophobicContact CG-CE1 3.87Å; F7-Y33 HydrophobicContact CG-CE2 4.18Å; F7-Y33 AromaticContact CG-CG 3.56Å; F7-Y33 HydrophobicContact CG-CG 3.56Å; F7-Y33 HydrophobicContact CZ-CD1 4.45Å; F7-Y33 HydrophobicContact CZ-CG 4.43Å; F7-T47 WeakPolarHBondContact CE1-OG1 3.41Å; F7-A76 HydrophobicContact CD1-CB 3.64Å; F7-A76 HydrophobicContact CD2-CB 4.07Å; F7-A76 HydrophobicContact CE1-CB 3.53Å; F7-A76 HydrophobicContact CE2-CB 3.94Å; F7-A76 HydrophobicContact CG-CB 3.91Å; F7-A76 HydrophobicContact CZ-CB 3.67Å; F7-Y78 HydrophobicContact CB-CD1 4.28Å; F7-Y78 HydrophobicContact CB-CE1 3.72Å; F7-Y78 AromaticContact CD1-CD1 3.63Å; F7-Y78 HydrophobicContact CD1-CD1 3.63Å; F7-Y78 HydrophobicContact CD1-CD2 4.22Å; F7-Y78 AromaticContact CD1-CE1 3.94Å; F7-Y78 HydrophobicContact CD1-CE1 3.94Å; F7-Y78 HydrophobicContact CD1-CE2 4.45Å; F7-Y78 AromaticContact CD1-CG 3.79Å; F7-Y78 HydrophobicContact CD1-CG 3.79Å; F7-Y78 HydrophobicContact CE1-CD1 4.45Å; F7-Y78 HydrophobicContact CE1-CG 4.38Å; F7-Y78 HydrophobicContact CG-CD1 4.34Å; F7-Y78 HydrophobicContact CG-CE1 4.27Å; F7-Y78 PolarHBondContact O-OH 2.84Å
8G87.4Confident88.1Confident44 Ų4458.6 Ų58.645%0.45433%0.325SS..THydrogen-bonded Turntrans63.3-105.2-175.100000110.7
9Q85.1Confident87.8Confident201 Ų20158.5 Ų58.594%0.93934%0.339SS*.THydrogen-bonded Turntrans-93.9-9.6175.5-59.3-175.81500113.5F7F7-Q9 PolarHBondContact O-N 3.14Å
10T88.3Confident87.9Confident55 Ų5557.9 Ų57.934%0.33733%0.331SS..EExtended strand (participates in β ladder)trans-102.6106.5-167.7-60.30000111.8F7 V12 Y33 L36F7-T10 PolarHBondContact N-O 3.13Å; F7-T10 PolarHBondContact O-N 3.32Å; T10-V12 HydrophobicContact CG2-CG2 4.24Å; T10-Y33 HydrophobicContact CG2-CD2 3.98Å; T10-Y33 HydrophobicContact CG2-CE2 3.88Å; T10-L36 HydrophobicContact CG2-CD1 3.82Å
11G89.9Confident88.1Confident46 Ų4656.7 Ų56.747%0.47433%0.325SS..EExtended strand (participates in β ladder)trans-78.4116.6176.500000113.4
12V91.6Very high88.7Confident5 Ų553.3 Ų53.33%0.0331%0.308CS..EExtended strand (participates in β ladder)trans-109108.2-177.6179.10000110.6V5 F7 T10 R32 Y33 L36V5-V12 PolarHBondContact N-O 3.16Å; V5-V12 WeakPolarHBondContact O-CA 3.43Å; V5-V12 WeakPolarHBondContact O-CB 3.27Å; V5-V12 PolarHBondContact O-N 3.34Å; F7-V12 HydrophobicContact CD2-CB 4.14Å; F7-V12 HydrophobicContact CD2-CG2 3.75Å; F7-V12 HydrophobicContact CE2-CB 4.14Å; F7-V12 HydrophobicContact CE2-CG2 4.12Å; T10-V12 HydrophobicContact CG2-CG2 4.24Å; V12-R32 HydrophobicContact CG1-CB 3.42Å; V12-R32 VanDerWaalsContact CG1-CB 3.42Å; V12-R32 HydrophobicContact CG1-CG 4.44Å; V12-Y33 HydrophobicContact CG2-CD2 4.09Å; V12-Y33 HydrophobicContact CG2-CG 4.46Å; V12-L36 HydrophobicContact CG2-CD1 4.06Å
13V90.9Very high89Confident66 Ų6652.5 Ų52.540%0.430%0.301SS..EExtended strand (participates in β ladder)trans-82.1123.8178.7-1750000110.8K2 T4 R32K2-V13 HydrophobicContact CB-CG1 4.44Å; K2-V13 HydrophobicContact CD-CG1 4.41Å; T4-V13 HydrophobicContact CG2-CG2 4.16Å; V13-R32 PolarHBondContact O-NH1 3.11Å
14V91.6Very high89.2Confident0 Ų054.9 Ų54.90%031%0.313CS..EExtended strand (participates in β ladder)trans-110.3118.9177.2-170.90000110.2K2 V3 C16 W20 L25 Q28 A29K2-V14 WeakPolarHBondContact CA-O 3Å; V3-V14 PolarHBondContact N-O 2.84Å; V3-V14 PolarHBondContact O-N 3.34Å; V14-C16 PolarHBondContact O-N 3.06Å; V14-C16 PolarHBondContact O-SG 2.84Å; V14-C16 VanDerWaalsContact O-SG 3.33Å; V14-W20 HydrophobicContact CG1-CZ3 4.42Å; V14-L25 HydrophobicContact CB-CD1 3.62Å; V14-L25 HydrophobicContact CG1-CD1 3.97Å; V14-L25 HydrophobicContact CG2-CD1 3.72Å; V14-Q28 HydrophobicContact CG1-CB 3.84Å; V14-A29 HydrophobicContact CG2-CB 3.95Å
15P90Very high89.3Confident60 Ų6053.3 Ų53.339%0.3930%0.303SS..EExtended strand (participates in β ladder)trans-77.4103.5174.131.1-31.7000109.4M1 W20M1-P15 CarbonylContact O-C 3.47Å; P15-W20 WeakPolarHBondContact O-CZ3 3.38Å
16C87.4Confident89.3Confident4 Ų454.4 Ų54.43%0.02731%0.309CS..PPolyproline II helixtrans-93.3140-172.7-58.70000112.3M1 V14 W20 L64M1-C16 CarbonylContact C-O 3.54Å; M1-C16 WeakPolarHBondContact CA-O 3.39Å; M1-C16 HydrophobicContact CB-CB 4.16Å; M1-C16 WeakPolarHBondContact CB-O 3.46Å; M1-C16 HydrophobicContact CE-CB 3.87Å; M1-C16 PolarHBondContact N-O 2.69Å; M1-C16 PolarHBondContact O-N 3.26Å; M1-C16 VanDerWaalsContact O-O 3.13Å; V14-C16 PolarHBondContact O-N 3.06Å; V14-C16 PolarHBondContact O-SG 2.84Å; V14-C16 VanDerWaalsContact O-SG 3.33Å; C16-W20 HydrophobicContact CB-CE3 3.78Å; C16-W20 HydrophobicContact CB-CZ3 4.15Å; C16-L64 HydrophobicContact CB-CD2 3.71Å; C16-L64 WeakPolarHBondContact SG-CD2 3.47Å
17K86.1Confident89.4Confident140 Ų14058.8 Ų58.861%0.60933%0.327SS*.PPolyproline II helixtrans-88.2163.5171.3-58.1-179.7-175.9178.50110.2W20K17-W20 HydrophobicContact CB-CD2 4.07Å; K17-W20 HydrophobicContact CB-CG 4.25Å; K17-W20 HydrophobicContact CB-CZ2 4.08Å; K17-W20 HydrophobicContact CD-CZ2 3.7Å; K17-W20 HydrophobicContact CG-CH2 4.19Å; K17-W20 HydrophobicContact CG-CZ2 3.64Å
18D80.3Confident89.4Confident137 Ų13760.9 Ų60.973%0.73334%0.337SS*.THydrogen-bonded Turntrans-74.6142178.4-46.5-46000109.5W20D18-W20 VanDerWaalsContact C-N 3.31Å; D18-W20 PolarHBondContact O-N 2.83Å
19G82.1Confident89.7Confident57 Ų5758.8 Ų58.859%0.58832%0.315SS*.THydrogen-bonded Turntrans76.65.8-172.800000115.8
20W90.4Very high90.1Very high46 Ų4649.7 Ų49.717%0.17427%0.273CS..  trans-71.4147.2168.9-80.94.9000112.3V14 P15 C16 K17 D18 D24 L64V14-W20 HydrophobicContact CG1-CZ3 4.42Å; P15-W20 WeakPolarHBondContact O-CZ3 3.38Å; C16-W20 HydrophobicContact CB-CE3 3.78Å; C16-W20 HydrophobicContact CB-CZ3 4.15Å; K17-W20 HydrophobicContact CB-CD2 4.07Å; K17-W20 HydrophobicContact CB-CG 4.25Å; K17-W20 HydrophobicContact CB-CZ2 4.08Å; K17-W20 HydrophobicContact CD-CZ2 3.7Å; K17-W20 HydrophobicContact CG-CH2 4.19Å; K17-W20 HydrophobicContact CG-CZ2 3.64Å; D18-W20 VanDerWaalsContact C-N 3.31Å; D18-W20 PolarHBondContact O-N 2.83Å; W20-D24 HydrophobicContact CB-CB 4.14Å; W20-D24 HydrophobicContact CD2-CB 4.22Å; W20-D24 HydrophobicContact CE3-CB 4.43Å; W20-D24 HydrophobicContact CG-CB 4.1Å; W20-L64 VanDerWaalsContact O-CB 3.28Å; W20-L64 WeakPolarHBondContact O-CB 3.31Å; W20-L64 PolarHBondContact O-N 2.71Å
21T91.9Very high90.2Very high33 Ų3352 Ų5220%0.20228%0.28CS..BIsolated β-bridgetrans-90.4167.5174.662.40000112R23 D24 L25 P60 D62T21-R23 PolarHBondContact O-N 2.81Å; T21-R23 WeakPolarHBondContact OG1-CB 3.43Å; T21-R23 PolarHBondContact OG1-N 2.84Å; T21-D24 WeakPolarHBondContact CB-OD2 3.2Å; T21-D24 PolarHBondContact N-OD2 2.87Å; T21-D24 WeakPolarHBondContact O-CB 3.24Å; T21-D24 PolarHBondContact O-N 2.87Å; T21-D24 VanDerWaalsContact OG1-CG 3.3Å; T21-D24 PolarHBondContact OG1-N 2.83Å; T21-D24 PolarHBondContact OG1-OD2 3.08Å; T21-L25 PolarHBondContact O-N 2.83Å; T21-P60 WeakPolarHBondContact CB-O 3.43Å; T21-D62 CarbonylContact C-O 3.57Å; T21-D62 VanDerWaalsContact CA-O 3.22Å; T21-D62 WeakPolarHBondContact CA-O 3.38Å
22V90.5Very high90.3Very high0 Ų055 Ų550%028%0.277CS..Hα-helixtrans-60.4-32.2167.91740000111.3D24 L25 I26 L58 D59 P60 D62 L64 L67V22-D24 PolarHBondContact O-N 3.45Å; V22-L25 WeakPolarHBondContact O-CB 3.39Å; V22-L25 PolarHBondContact O-N 2.88Å; V22-I26 HydrophobicContact CG1-CD1 3.83Å; V22-I26 HydrophobicContact CG1-CG1 4.21Å; V22-I26 VanDerWaalsContact O-CG1 3.29Å; V22-I26 WeakPolarHBondContact O-CG1 3.34Å; V22-I26 PolarHBondContact O-N 3.12Å; V22-L58 HydrophobicContact CG1-CB 3.83Å; V22-L58 HydrophobicContact CG1-CD1 4.15Å; V22-L58 HydrophobicContact CG2-CB 4.2Å; V22-L58 HydrophobicContact CG2-CD1 4.05Å; V22-D59 WeakPolarHBondContact CB-O 3.17Å; V22-P60 CarbonylContact C-O 3.58Å; V22-P60 PolarHBondContact N-O 3.35Å; V22-D62 HydrophobicContact CG2-CB 4.04Å; V22-D62 PolarHBondContact N-O 3.09Å; V22-L64 HydrophobicContact CG2-CD1 4.08Å; V22-L67 HydrophobicContact CG2-CD1 3.38Å
23R92.1Very high90.3Very high137 Ų13755.3 Ų55.352%0.51728%0.278SS..Hα-helixtrans-59.6-43.6173.6-167.6-171.6-67.3-135.51111.9T21 L25 I26 Q27 P60 D61T21-R23 PolarHBondContact O-N 2.81Å; T21-R23 WeakPolarHBondContact OG1-CB 3.43Å; T21-R23 PolarHBondContact OG1-N 2.84Å; R23-L25 VanDerWaalsContact C-N 3.34Å; R23-I26 PolarHBondContact O-N 2.87Å; R23-Q27 WeakPolarHBondContact O-CB 3.33Å; R23-Q27 PolarHBondContact O-N 3.35Å; R23-P60 HydrophobicContact CB-CB 4Å; R23-P60 VanDerWaalsContact CB-O 3.26Å; R23-P60 WeakPolarHBondContact CB-O 3.44Å; R23-P60 HydrophobicContact CG-CB 4.46Å; R23-P60 PolarHBondContact N-O 2.86Å; R23-D61 IonicContact CZ-OD1 2.83Å; R23-D61 IonicContact NE-OD1 3.87Å; R23-D61 PolarHBondContact NE-OD1 3.31Å; R23-D61 VanDerWaalsContact NH2-CG 3.3Å; R23-D61 IonicContact NH2-OD1 2.96Å; R23-D61 PolarHBondContact NH2-OD1 2.85Å; R23-D61 IonicContact NH2-OD2 3.7Å; R23-D61 PolarHBondContact NH2-OD2 2.76Å; R23-D61 VanDerWaalsContact NH2-OD2 3.15Å
24D92.1Very high90.2Very high50 Ų5056.3 Ų56.327%0.26728%0.275SS..Hα-helixtrans-65.5-37.7175.7-60.3-61.5000111.9W20 T21 V22 Q28W20-D24 HydrophobicContact CB-CB 4.14Å; W20-D24 HydrophobicContact CD2-CB 4.22Å; W20-D24 HydrophobicContact CE3-CB 4.43Å; W20-D24 HydrophobicContact CG-CB 4.1Å; T21-D24 WeakPolarHBondContact CB-OD2 3.2Å; T21-D24 PolarHBondContact N-OD2 2.87Å; T21-D24 WeakPolarHBondContact O-CB 3.24Å; T21-D24 PolarHBondContact O-N 2.87Å; T21-D24 VanDerWaalsContact OG1-CG 3.3Å; T21-D24 PolarHBondContact OG1-N 2.83Å; T21-D24 PolarHBondContact OG1-OD2 3.08Å; V22-D24 PolarHBondContact O-N 3.45Å; D24-Q28 PolarHBondContact O-N 3.26Å; D24-Q28 PolarHBondContact O-NE2 2.93Å
25L91.4Very high90Very high0 Ų062 Ų620%030%0.3CS..Hα-helixtrans-63.4-52.9173.2173.865.4000111V3 V5 V14 T21 V22 R23 Q27 Q28 A29 L64 L74V3-L25 HydrophobicContact CB-CD1 4.2Å; V3-L25 HydrophobicContact CG1-CD1 4.21Å; V3-L25 HydrophobicContact CG1-CD2 3.83Å; V5-L25 HydrophobicContact CG2-CD1 3.84Å; V5-L25 HydrophobicContact CG2-CD2 3.89Å; V5-L25 HydrophobicContact CG2-CG 3.96Å; V14-L25 HydrophobicContact CB-CD1 3.62Å; V14-L25 HydrophobicContact CG1-CD1 3.97Å; V14-L25 HydrophobicContact CG2-CD1 3.72Å; T21-L25 PolarHBondContact O-N 2.83Å; V22-L25 WeakPolarHBondContact O-CB 3.39Å; V22-L25 PolarHBondContact O-N 2.88Å; R23-L25 VanDerWaalsContact C-N 3.34Å; L25-Q27 VanDerWaalsContact C-N 3.34Å; L25-Q27 PolarHBondContact O-N 2.98Å; L25-Q28 PolarHBondContact O-N 2.85Å; L25-A29 WeakPolarHBondContact O-CB 3.43Å; L25-A29 PolarHBondContact O-N 3.45Å; L25-L64 HydrophobicContact CB-CD1 4.27Å; L25-L64 HydrophobicContact CB-CD2 3.99Å; L25-L64 HydrophobicContact CD1-CD2 4.41Å; L25-L64 HydrophobicContact CD2-CD1 3.59Å; L25-L64 HydrophobicContact CD2-CD2 4.17Å; L25-L64 HydrophobicContact CG-CD2 4.42Å; L25-L74 HydrophobicContact CD2-CD1 3.69Å
26I92.7Very high89.8Confident23 Ų2362.9 Ų62.912%0.11830%0.3CS..Hα-helixtrans-53.1-53.5179-71164.5000109.3V22 R23 Q28 A29 T30 T47 V50V22-I26 HydrophobicContact CG1-CD1 3.83Å; V22-I26 HydrophobicContact CG1-CG1 4.21Å; V22-I26 VanDerWaalsContact O-CG1 3.29Å; V22-I26 WeakPolarHBondContact O-CG1 3.34Å; V22-I26 PolarHBondContact O-N 3.12Å; R23-I26 PolarHBondContact O-N 2.87Å; I26-Q28 VanDerWaalsContact C-N 3.3Å; I26-Q28 PolarHBondContact O-N 2.71Å; I26-A29 PolarHBondContact O-N 2.82Å; I26-T30 PolarHBondContact O-N 2.87Å; I26-T30 PolarHBondContact O-OG1 3.21Å; I26-T47 HydrophobicContact CG2-CG2 3.99Å; I26-V50 HydrophobicContact CG1-CB 4.27Å; I26-V50 HydrophobicContact CG1-CG2 3.75Å
27Q92.9Very high89.5Confident129 Ų12963.3 Ų63.360%0.60330%0.302SS*.Hα-helixtrans-57-43.1-176.8-168.8-179.126.100112.4R23 L25 Q31R23-Q27 WeakPolarHBondContact O-CB 3.33Å; R23-Q27 PolarHBondContact O-N 3.35Å; L25-Q27 VanDerWaalsContact C-N 3.34Å; L25-Q27 PolarHBondContact O-N 2.98Å; Q27-Q31 WeakPolarHBondContact O-CB 3.08Å; Q27-Q31 PolarHBondContact O-N 3.15Å
28Q92.6Very high88.9Confident46 Ų4662 Ų6222%0.21530%0.298CS..Hα-helixtrans-79.9-30.4-178.8-72176.371.400113.4V14 D24 L25 I26 Q31 R32V14-Q28 HydrophobicContact CG1-CB 3.84Å; D24-Q28 PolarHBondContact O-N 3.26Å; D24-Q28 PolarHBondContact O-NE2 2.93Å; L25-Q28 PolarHBondContact O-N 2.85Å; I26-Q28 VanDerWaalsContact C-N 3.3Å; I26-Q28 PolarHBondContact O-N 2.71Å; Q28-Q31 PolarHBondContact O-N 2.79Å; Q28-R32 VanDerWaalsContact O-CB 3.32Å; Q28-R32 WeakPolarHBondContact O-CB 3.33Å; Q28-R32 VanDerWaalsContact O-CG 3.27Å; Q28-R32 WeakPolarHBondContact O-CG 3.19Å; Q28-R32 PolarHBondContact O-N 3.04Å
29A93Very high88.2Confident0 Ų062.9 Ų62.90%030%0.298CS..Hα-helixtrans-62.7-52.2170.200000109.8V5 F7 V14 L25 I26 Q31 R32 Y33V5-A29 HydrophobicContact CB-CB 4.07Å; V5-A29 HydrophobicContact CG1-CB 4.22Å; V5-A29 HydrophobicContact CG2-CB 4.14Å; F7-A29 HydrophobicContact CE2-CB 3.87Å; F7-A29 HydrophobicContact CZ-CB 3.88Å; V14-A29 HydrophobicContact CG2-CB 3.95Å; L25-A29 WeakPolarHBondContact O-CB 3.43Å; L25-A29 PolarHBondContact O-N 3.45Å; I26-A29 PolarHBondContact O-N 2.82Å; A29-Q31 VanDerWaalsContact C-N 3.31Å; A29-Q31 PolarHBondContact O-N 2.83Å; A29-R32 PolarHBondContact O-N 3.02Å; A29-Y33 WeakPolarHBondContact O-CB 3.19Å; A29-Y33 PolarHBondContact O-N 2.88Å
30T93.3Very high87.2Confident9 Ų968 Ų686%0.05531%0.307CS..Hα-helixtrans-62.6-34.1176.2-42.90000112.6I26 R34 V45 T47I26-T30 PolarHBondContact O-N 2.87Å; I26-T30 PolarHBondContact O-OG1 3.21Å; T30-R34 WeakPolarHBondContact O-CB 3.18Å; T30-R34 WeakPolarHBondContact O-CG 3.48Å; T30-R34 PolarHBondContact O-N 2.76Å; T30-R34 VanDerWaalsContact O-N 3.07Å; T30-R34 PolarHBondContact O-NE 2.71Å; T30-R34 VanDerWaalsContact O-NE 3.16Å; T30-V45 HydrophobicContact CG2-CB 4.28Å; T30-V45 HydrophobicContact CG2-CG1 3.95Å; T30-T47 WeakPolarHBondContact CG2-OG1 3.4Å; T30-T47 VanDerWaalsContact OG1-CB 3.25Å; T30-T47 WeakPolarHBondContact OG1-CB 3.43Å; T30-T47 PolarHBondContact OG1-OG1 3.31Å
31Q91.9Very high86.2Confident103 Ų10367.1 Ų67.148%0.48131%0.312SS..Hα-helixtrans-71.7-39.1175.5-167.9-175.73000112.1Q27 Q28 A29 K35Q27-Q31 WeakPolarHBondContact O-CB 3.08Å; Q27-Q31 PolarHBondContact O-N 3.15Å; Q28-Q31 PolarHBondContact O-N 2.79Å; A29-Q31 VanDerWaalsContact C-N 3.31Å; A29-Q31 PolarHBondContact O-N 2.83Å; Q31-K35 WeakPolarHBondContact O-CG 3.41Å; Q31-K35 PolarHBondContact O-N 3.37Å; Q31-K35 VanDerWaalsContact O-N 3.16Å
32R91.6Very high85.4Confident110 Ų11071.5 Ų71.542%0.41533%0.334SS..Hα-helixtrans-70.2-39.1176-77169.8173.6-104.7-18.9112V12 V13 Q28 A29 K35 L36V12-R32 HydrophobicContact CG1-CB 3.42Å; V12-R32 VanDerWaalsContact CG1-CB 3.42Å; V12-R32 HydrophobicContact CG1-CG 4.44Å; V13-R32 PolarHBondContact O-NH1 3.11Å; Q28-R32 VanDerWaalsContact O-CB 3.32Å; Q28-R32 WeakPolarHBondContact O-CB 3.33Å; Q28-R32 VanDerWaalsContact O-CG 3.27Å; Q28-R32 WeakPolarHBondContact O-CG 3.19Å; Q28-R32 PolarHBondContact O-N 3.04Å; A29-R32 PolarHBondContact O-N 3.02Å; R32-K35 PolarHBondContact O-N 2.75Å; R32-L36 PolarHBondContact O-N 2.96Å
33Y92Very high84.8Confident11 Ų1173.9 Ų73.94%0.04334%0.344CS..Hα-helixtrans-66.2-43.7176.4-174.5-126.5000112F7 T10 V12 A29 K35 L36 L37 V45 Y78 E80F7-Y33 HydrophobicContact CB-CD1 3.93Å; F7-Y33 HydrophobicContact CB-CD2 3.76Å; F7-Y33 HydrophobicContact CB-CE1 3.74Å; F7-Y33 HydrophobicContact CB-CE2 3.59Å; F7-Y33 HydrophobicContact CB-CG 3.94Å; F7-Y33 AromaticContact CD1-CD1 3.16Å; F7-Y33 HydrophobicContact CD1-CD1 3.16Å; F7-Y33 HydrophobicContact CD1-CD2 4.34Å; F7-Y33 AromaticContact CD1-CE1 3.52Å; F7-Y33 HydrophobicContact CD1-CE1 3.52Å; F7-Y33 AromaticContact CD1-CG 3.62Å; F7-Y33 HydrophobicContact CD1-CG 3.62Å; F7-Y33 HydrophobicContact CD2-CD1 4.35Å; F7-Y33 HydrophobicContact CD2-CD2 4.23Å; F7-Y33 AromaticContact CD2-CG 3.94Å; F7-Y33 HydrophobicContact CD2-CG 3.94Å; F7-Y33 AromaticContact CE1-CD1 3.66Å; F7-Y33 HydrophobicContact CE1-CD1 3.66Å; F7-Y33 HydrophobicContact CE1-CE1 4.39Å; F7-Y33 HydrophobicContact CE1-CG 4.05Å; F7-Y33 HydrophobicContact CE2-CG 4.37Å; F7-Y33 AromaticContact CG-CD1 3.57Å; F7-Y33 HydrophobicContact CG-CD1 3.57Å; F7-Y33 AromaticContact CG-CD2 3.87Å; F7-Y33 HydrophobicContact CG-CD2 3.87Å; F7-Y33 AromaticContact CG-CE1 3.87Å; F7-Y33 HydrophobicContact CG-CE1 3.87Å; F7-Y33 HydrophobicContact CG-CE2 4.18Å; F7-Y33 AromaticContact CG-CG 3.56Å; F7-Y33 HydrophobicContact CG-CG 3.56Å; F7-Y33 HydrophobicContact CZ-CD1 4.45Å; F7-Y33 HydrophobicContact CZ-CG 4.43Å; T10-Y33 HydrophobicContact CG2-CD2 3.98Å; T10-Y33 HydrophobicContact CG2-CE2 3.88Å; V12-Y33 HydrophobicContact CG2-CD2 4.09Å; V12-Y33 HydrophobicContact CG2-CG 4.46Å; A29-Y33 WeakPolarHBondContact O-CB 3.19Å; A29-Y33 PolarHBondContact O-N 2.88Å; Y33-K35 VanDerWaalsContact C-N 3.3Å; Y33-K35 PolarHBondContact O-N 2.83Å; Y33-L36 WeakPolarHBondContact O-CA 3.32Å; Y33-L36 WeakPolarHBondContact O-CB 3.3Å; Y33-L36 PolarHBondContact O-N 2.92Å; Y33-L37 HydrophobicContact CD1-CD1 4.01Å; Y33-L37 HydrophobicContact CE1-CD1 3.54Å; Y33-L37 HydrophobicContact CE1-CG 4.48Å; Y33-L37 HydrophobicContact CE2-CD1 4.2Å; Y33-L37 HydrophobicContact CE2-CG 4.3Å; Y33-L37 PolarHBondContact O-N 2.77Å; Y33-V45 HydrophobicContact CD1-CB 4.48Å; Y33-V45 HydrophobicContact CD1-CG1 3.99Å; Y33-V45 HydrophobicContact CD1-CG2 3.84Å; Y33-V45 HydrophobicContact CE1-CG1 4.25Å; Y33-V45 HydrophobicContact CE1-CG2 3.91Å; Y33-Y78 AromaticContact CE1-CD2 3.93Å; Y33-Y78 HydrophobicContact CE1-CD2 3.93Å; Y33-Y78 AromaticContact CE1-CE2 3.5Å; Y33-Y78 HydrophobicContact CE1-CE2 3.5Å; Y33-Y78 VanDerWaalsContact CE1-CE2 3.5Å; Y33-Y78 AromaticContact CE1-CZ 3.96Å; Y33-Y78 AromaticContact CZ-CE2 3.94Å; Y33-Y78 PolarHBondContact OH-OH 2.73Å; Y33-Y78 VanDerWaalsContact OH-OH 3.05Å; Y33-E80 PolarHBondContact OH-OE2 2.6Å
34R88.7Confident84.4Confident88 Ų8870.8 Ų70.833%0.33234%0.341SS..Hα-helixtrans-57.3-41.2170.6-79.6180-70.3-179.1-2.3112.4T30 L36 L37 E38 V45T30-R34 WeakPolarHBondContact O-CB 3.18Å; T30-R34 WeakPolarHBondContact O-CG 3.48Å; T30-R34 PolarHBondContact O-N 2.76Å; T30-R34 VanDerWaalsContact O-N 3.07Å; T30-R34 PolarHBondContact O-NE 2.71Å; T30-R34 VanDerWaalsContact O-NE 3.16Å; R34-L36 PolarHBondContact O-N 2.82Å; R34-L36 VanDerWaalsContact O-N 3.16Å; R34-L37 CarbonylContact O-C 3.46Å; R34-L37 PolarHBondContact O-N 3.15Å; R34-L37 VanDerWaalsContact O-N 3.13Å; R34-E38 VanDerWaalsContact O-CB 3.29Å; R34-E38 WeakPolarHBondContact O-CB 3.11Å; R34-E38 WeakPolarHBondContact O-CG 3.34Å; R34-E38 PolarHBondContact O-N 2.97Å; R34-V45 HydrophobicContact CG-CB 3.75Å; R34-V45 HydrophobicContact CG-CG2 3.71Å
35K86.6Confident84.2Confident120 Ų12068.7 Ų68.752%0.52233%0.329SS..Hα-helixtrans-67.1-10.5173.9-75.3-174.3173.1-165.10115.8Q31 R32 Y33 E38 Q39Q31-K35 WeakPolarHBondContact O-CG 3.41Å; Q31-K35 PolarHBondContact O-N 3.37Å; Q31-K35 VanDerWaalsContact O-N 3.16Å; R32-K35 PolarHBondContact O-N 2.75Å; Y33-K35 VanDerWaalsContact C-N 3.3Å; Y33-K35 PolarHBondContact O-N 2.83Å; K35-E38 WeakPolarHBondContact CG-OE2 3.29Å; K35-Q39 PolarHBondContact O-NE2 2.98Å
36L85.8Confident84Confident78 Ų7875.2 Ų75.241%0.40835%0.354SS..Hα-helixtrans-87-49.6167.1-64.4170.3000109.5T10 V12 R32 Y33 R34 E38 Q39T10-L36 HydrophobicContact CG2-CD1 3.82Å; V12-L36 HydrophobicContact CG2-CD1 4.06Å; R32-L36 PolarHBondContact O-N 2.96Å; Y33-L36 WeakPolarHBondContact O-CA 3.32Å; Y33-L36 WeakPolarHBondContact O-CB 3.3Å; Y33-L36 PolarHBondContact O-N 2.92Å; R34-L36 PolarHBondContact O-N 2.82Å; R34-L36 VanDerWaalsContact O-N 3.16Å; L36-E38 VanDerWaalsContact C-N 3.35Å; L36-E38 PolarHBondContact O-N 3.17Å; L36-Q39 WeakPolarHBondContact O-CB 3.39Å; L36-Q39 PolarHBondContact O-N 2.75Å; L36-Q39 VanDerWaalsContact O-N 3.14Å
37L82.4Confident84Confident13 Ų1375.3 Ų75.37%0.06836%0.356CS..Hα-helixtrans-64.3-32.7178.4-72.3169.1000114Y33 R34 Q39 E40 G41 F43 V45 E80Y33-L37 HydrophobicContact CD1-CD1 4.01Å; Y33-L37 HydrophobicContact CE1-CD1 3.54Å; Y33-L37 HydrophobicContact CE1-CG 4.48Å; Y33-L37 HydrophobicContact CE2-CD1 4.2Å; Y33-L37 HydrophobicContact CE2-CG 4.3Å; Y33-L37 PolarHBondContact O-N 2.77Å; R34-L37 CarbonylContact O-C 3.46Å; R34-L37 PolarHBondContact O-N 3.15Å; R34-L37 VanDerWaalsContact O-N 3.13Å; L37-Q39 PolarHBondContact O-N 3.28Å; L37-E40 CarbonylContact O-C 3.49Å; L37-E40 WeakPolarHBondContact O-CA 3.19Å; L37-E40 PolarHBondContact O-N 2.69Å; L37-G41 CarbonylContact C-O 3.55Å; L37-G41 PolarHBondContact O-N 3.42Å; L37-F43 HydrophobicContact CB-CB 3.99Å; L37-F43 HydrophobicContact CB-CD2 3.93Å; L37-F43 HydrophobicContact CB-CG 4.28Å; L37-F43 HydrophobicContact CD1-CB 4.1Å; L37-F43 HydrophobicContact CD2-CD2 4.22Å; L37-V45 HydrophobicContact CD1-CG2 3.45Å; L37-V45 VanDerWaalsContact CD1-CG2 3.45Å; L37-E80 HydrophobicContact CD1-CG 4.2Å; L37-E80 WeakPolarHBondContact CD2-OE1 3.46Å
38E73.1Confident83.7Confident112 Ų11274.5 Ų74.552%0.52335%0.352SS..THydrogen-bonded Turntrans-57.9-9.5172.5-78.2162.8-155.700113.3R34 K35 L36 G41R34-E38 VanDerWaalsContact O-CB 3.29Å; R34-E38 WeakPolarHBondContact O-CB 3.11Å; R34-E38 WeakPolarHBondContact O-CG 3.34Å; R34-E38 PolarHBondContact O-N 2.97Å; K35-E38 WeakPolarHBondContact CG-OE2 3.29Å; L36-E38 VanDerWaalsContact C-N 3.35Å; L36-E38 PolarHBondContact O-N 3.17Å; E38-G41 WeakPolarHBondContact CA-O 3.42Å
39Q65Low83.6Confident155 Ų15575.1 Ų75.172%0.72436%0.355SS*.THydrogen-bonded Turntrans-94.5-12.6172.7-60.9172.260.400113K35 L36 L37K35-Q39 PolarHBondContact O-NE2 2.98Å; L36-Q39 WeakPolarHBondContact O-CB 3.39Å; L36-Q39 PolarHBondContact O-N 2.75Å; L36-Q39 VanDerWaalsContact O-N 3.14Å; L37-Q39 PolarHBondContact O-N 3.28Å
40E61.1Low83.5Confident166 Ų16675.1 Ų75.178%0.77636%0.355SS*.THydrogen-bonded Turntrans-114-23.1178.7-62.7-174.9127.900112.3L37L37-E40 CarbonylContact O-C 3.49Å; L37-E40 WeakPolarHBondContact O-CA 3.19Å; L37-E40 PolarHBondContact O-N 2.69Å
41G70.3Confident83.3Confident27 Ų2777 Ų7728%0.27836%0.362SS..SBendtrans174.7174.2172.300000113.8L37 E38 F43L37-G41 CarbonylContact C-O 3.55Å; L37-G41 PolarHBondContact O-N 3.42Å; E38-G41 WeakPolarHBondContact CA-O 3.42Å; G41-F43 WeakPolarHBondContact O-CD2 3.34Å; G41-F43 PolarHBondContact O-N 2.84Å; G41-F43 VanDerWaalsContact O-N 3.11Å
42D73.6Confident83.1Confident124 Ų12474.2 Ų74.266%0.66335%0.348SS*.  trans-75.495.9170.1-76.8-43.8000109.3A83D42-A83 HydrophobicContact CB-CB 3.76Å; D42-A83 WeakPolarHBondContact O-CB 3.38Å; D42-A83 PolarHBondContact O-N 2.9Å
43F79.7Confident82.5Confident51 Ų5172.8 Ų72.822%0.22435%0.354CS..EExtended strand (participates in β ladder)trans-109.9124.7-179.7-70.1-82.7000113.1L37 G41 V45 E80 E82L37-F43 HydrophobicContact CB-CB 3.99Å; L37-F43 HydrophobicContact CB-CD2 3.93Å; L37-F43 HydrophobicContact CB-CG 4.28Å; L37-F43 HydrophobicContact CD1-CB 4.1Å; L37-F43 HydrophobicContact CD2-CD2 4.22Å; G41-F43 WeakPolarHBondContact O-CD2 3.34Å; G41-F43 PolarHBondContact O-N 2.84Å; G41-F43 VanDerWaalsContact O-N 3.11Å; F43-V45 PolarHBondContact O-N 2.87Å; F43-E80 HydrophobicContact CB-CG 4.44Å; F43-E80 HydrophobicContact CD1-CG 4.12Å; F43-E82 HydrophobicContact CD1-CB 4.15Å; F43-E82 HydrophobicContact CE1-CB 3.87Å; F43-E82 HydrophobicContact CE1-CG 4.03Å
44V82.2Confident81.8Confident72 Ų7279 Ų7944%0.43639%0.388SS..EExtended strand (participates in β ladder)trans-85.397.2172.1-175.80000109.2Q81 A83V44-Q81 PolarHBondContact N-O 3.11Å; V44-Q81 PolarHBondContact O-N 3.35Å; V44-A83 HydrophobicContact CG2-CB 4.22Å
45V88.4Confident81.1Confident5 Ų577.1 Ų77.13%0.0340%0.396CS..EExtended strand (participates in β ladder)trans-87.6132.1169.4-175.40000111.1T30 Y33 R34 L37 F43 Y78 E79 E80T30-V45 HydrophobicContact CG2-CB 4.28Å; T30-V45 HydrophobicContact CG2-CG1 3.95Å; Y33-V45 HydrophobicContact CD1-CB 4.48Å; Y33-V45 HydrophobicContact CD1-CG1 3.99Å; Y33-V45 HydrophobicContact CD1-CG2 3.84Å; Y33-V45 HydrophobicContact CE1-CG1 4.25Å; Y33-V45 HydrophobicContact CE1-CG2 3.91Å; R34-V45 HydrophobicContact CG-CB 3.75Å; R34-V45 HydrophobicContact CG-CG2 3.71Å; L37-V45 HydrophobicContact CD1-CG2 3.45Å; L37-V45 VanDerWaalsContact CD1-CG2 3.45Å; F43-V45 PolarHBondContact O-N 2.87Å; V45-Y78 HydrophobicContact CG1-CD2 3.94Å; V45-Y78 HydrophobicContact CG1-CG 4.41Å; V45-E79 WeakPolarHBondContact CA-O 3.35Å; V45-E80 HydrophobicContact CG2-CG 4.33Å
46R87.8Confident80.9Confident137 Ų13772.8 Ų72.852%0.51739%0.385SS..EExtended strand (participates in β ladder)trans-118.2111.5163.8-61.4-164.8-70.2-151.2-3.6109.9Y78 E79R46-Y78 CarbonylContact O-C 3.58Å; R46-Y78 VanDerWaalsContact O-CA 3.24Å; R46-Y78 WeakPolarHBondContact O-CA 3.44Å; R46-Y78 WeakPolarHBondContact O-CB 3.43Å; R46-E79 IonicContact CZ-OE2 3.1Å; R46-E79 PolarHBondContact N-O 3.19Å; R46-E79 IonicContact NE-OE2 2.78Å; R46-E79 PolarHBondContact NE-OE2 3.46Å; R46-E79 IonicContact NH2-OE1 2.7Å; R46-E79 PolarHBondContact NH2-OE1 3.44Å; R46-E79 IonicContact NH2-OE2 3.26Å; R46-E79 PolarHBondContact NH2-OE2 2.89Å; R46-E79 PolarHBondContact O-N 2.88Å
47T91.4Very high81Confident25 Ų2573.2 Ų73.215%0.15339%0.387CS..EExtended strand (participates in β ladder)trans-83.8127.4168.3-51.60000109F7 I26 T30 H49 A76F7-T47 WeakPolarHBondContact CE1-OG1 3.41Å; I26-T47 HydrophobicContact CG2-CG2 3.99Å; T30-T47 WeakPolarHBondContact CG2-OG1 3.4Å; T30-T47 VanDerWaalsContact OG1-CB 3.25Å; T30-T47 WeakPolarHBondContact OG1-CB 3.43Å; T30-T47 PolarHBondContact OG1-OG1 3.31Å; T47-H49 WeakPolarHBondContact CG2-O 3.46Å; T47-A76 HydrophobicContact CG2-CB 4.13Å
48H88.1Confident81.2Confident113 Ų11372.9 Ų72.952%0.52339%0.386SS..EExtended strand (participates in β ladder)trans-81.9-49.6177.8-63-75.7000110.7V77H48-V77 PolarHBondContact N-O 2.92Å
49H89.1Confident81.9Confident59 Ų5971.7 Ų71.727%0.27338%0.383SS..EExtended strand (participates in β ladder)trans-163179.7179.558-84.8000110.1T47 E51 I57 V77T47-H49 WeakPolarHBondContact CG2-O 3.46Å; H49-E51 VanDerWaalsContact CD2-CG 3.46Å; H49-E51 WeakPolarHBondContact CD2-CG 3.41Å; H49-E51 IonicContact CD2-OE1 3.6Å; H49-E51 IonicContact CE1-OE1 3.82Å; H49-E51 WeakPolarHBondContact NE2-CG 3.43Å; H49-E51 CovalentContact NE2-OE1 1.74Å; H49-E51 IonicContact NE2-OE1 2.71Å; H49-E51 PolarHBondContact NE2-OE1 3.18Å; H49-E51 IonicContact NE2-OE2 3.07Å; H49-I57 HydrophobicContact CB-CG2 4.41Å; H49-V77 VanDerWaalsContact NE2-CG2 3.34Å; H49-V77 WeakPolarHBondContact NE2-CG2 3.45Å; H49-V77 PolarHBondContact O-N 3.41Å
50V90.6Very high83Confident0 Ų066.7 Ų66.70%036%0.364CS..EExtended strand (participates in β ladder)trans-121141172.6164.90000108.8V5 I26 L58 L74 M75 A76V5-V50 HydrophobicContact CG1-CG2 3.92Å; I26-V50 HydrophobicContact CG1-CB 4.27Å; I26-V50 HydrophobicContact CG1-CG2 3.75Å; V50-L58 HydrophobicContact CG1-CD1 4.08Å; V50-L58 PolarHBondContact O-N 3.22Å; V50-L74 HydrophobicContact CG1-CB 3.74Å; V50-L74 HydrophobicContact CG1-CD1 4.11Å; V50-L74 HydrophobicContact CG1-CD2 4.29Å; V50-L74 HydrophobicContact CG1-CG 4.27Å; V50-M75 CarbonylContact C-O 3.57Å; V50-M75 VanDerWaalsContact CA-O 3.32Å; V50-M75 WeakPolarHBondContact CA-O 3.48Å; V50-A76 HydrophobicContact CG2-CB 4.39Å
51E91.1Very high84.4Confident47 Ų4763.2 Ų63.222%0.2235%0.35CS..EExtended strand (participates in β ladder)trans-121.4156.7-179.3-56.2-174165.100110.1H49 G56 I57 L74 M75 V77H49-E51 VanDerWaalsContact CD2-CG 3.46Å; H49-E51 WeakPolarHBondContact CD2-CG 3.41Å; H49-E51 IonicContact CD2-OE1 3.6Å; H49-E51 IonicContact CE1-OE1 3.82Å; H49-E51 WeakPolarHBondContact NE2-CG 3.43Å; H49-E51 CovalentContact NE2-OE1 1.74Å; H49-E51 IonicContact NE2-OE1 2.71Å; H49-E51 PolarHBondContact NE2-OE1 3.18Å; H49-E51 IonicContact NE2-OE2 3.07Å; E51-G56 CarbonylContact C-O 3.53Å; E51-G56 VanDerWaalsContact CA-O 3.28Å; E51-G56 WeakPolarHBondContact CA-O 3.31Å; E51-I57 HydrophobicContact CG-CG1 3.95Å; E51-L74 CarbonylContact O-C 3.6Å; E51-L74 VanDerWaalsContact O-CA 3.32Å; E51-L74 WeakPolarHBondContact O-CA 3.31Å; E51-M75 PolarHBondContact N-O 2.94Å; E51-M75 PolarHBondContact O-N 3.2Å; E51-V77 HydrophobicContact CG-CG2 3.89Å
52Y87.5Confident85.2Confident45 Ų4565.3 Ų65.318%0.17636%0.355CS..EExtended strand (participates in β ladder)trans-73.1152.3159.4-66.9-64000111D54 G55 G56 L58 L67 D70 K73 L74Y52-D54 WeakPolarHBondContact CB-OD1 3.3Å; Y52-D54 PolarHBondContact O-N 3.4Å; Y52-G55 PolarHBondContact O-N 2.91Å; Y52-G56 WeakPolarHBondContact CD2-O 3.46Å; Y52-G56 PolarHBondContact N-O 2.8Å; Y52-L58 HydrophobicContact CD2-CD2 4.21Å; Y52-L58 HydrophobicContact CE1-CD2 4.43Å; Y52-L58 HydrophobicContact CE2-CD2 3.45Å; Y52-L58 VanDerWaalsContact CE2-CD2 3.45Å; Y52-L58 HydrophobicContact CE2-CG 4.32Å; Y52-L67 WeakPolarHBondContact OH-CD2 3.18Å; Y52-D70 HydrophobicContact CD1-CB 3.53Å; Y52-D70 HydrophobicContact CE1-CB 3.34Å; Y52-K73 CarbonylContact C-O 3.6Å; Y52-K73 WeakPolarHBondContact CA-O 3.33Å; Y52-L74 HydrophobicContact CD1-CD2 3.36Å; Y52-L74 HydrophobicContact CE1-CD2 3.45Å; Y52-L74 VanDerWaalsContact CE1-CD2 3.45Å; Y52-L74 HydrophobicContact CG-CD2 4.29Å
53C77.3Confident85.9Confident80 Ų8063 Ų6354%0.54134%0.342SS..THydrogen-bonded Turntrans-59.3-7.9176.7-68.50000115.4K73C53-K73 HydrophobicContact CB-CB 4.16Å; C53-K73 PolarHBondContact N-O 3.47Å; C53-K73 VanDerWaalsContact SG-C 3.54Å; C53-K73 PolarHBondContact SG-O 3.2Å
54D78.1Confident86.1Confident141 Ų14160.6 Ų60.675%0.75433%0.332SS*.THydrogen-bonded Turntrans-99.2-1.5173.971.6-16.5000114Y52 G56Y52-D54 WeakPolarHBondContact CB-OD1 3.3Å; Y52-D54 PolarHBondContact O-N 3.4Å; D54-G56 PolarHBondContact OD1-N 3.36Å
55G73.8Confident85.9Confident50 Ų5059.3 Ų59.352%0.51533%0.326SS..SBendtrans102.210.5176.300000115.7Y52 I57Y52-G55 PolarHBondContact O-N 2.91Å; G55-I57 PolarHBondContact O-N 3.2Å
56G82.8Confident85.4Confident28 Ų2864.6 Ų64.629%0.28935%0.354SS..  trans-80.4108174.700000113.5E51 Y52 D54E51-G56 CarbonylContact C-O 3.53Å; E51-G56 VanDerWaalsContact CA-O 3.28Å; E51-G56 WeakPolarHBondContact CA-O 3.31Å; Y52-G56 WeakPolarHBondContact CD2-O 3.46Å; Y52-G56 PolarHBondContact N-O 2.8Å; D54-G56 PolarHBondContact OD1-N 3.36Å
57I87.1Confident84.6Confident88 Ų8859.5 Ų59.545%0.45134%0.337SS..BIsolated β-bridgetrans-65.7131.7171.5-59.5169.9000110.3H49 E51 G55H49-I57 HydrophobicContact CB-CG2 4.41Å; E51-I57 HydrophobicContact CG-CG1 3.95Å; G55-I57 PolarHBondContact O-N 3.2Å
58L87.4Confident83Confident6 Ų662.4 Ų62.43%0.03135%0.354CS..PPolyproline II helixtrans-84.7138.9171.5-68.2179.1000111.9V22 V50 Y52 L67 L74V22-L58 HydrophobicContact CG1-CB 3.83Å; V22-L58 HydrophobicContact CG1-CD1 4.15Å; V22-L58 HydrophobicContact CG2-CB 4.2Å; V22-L58 HydrophobicContact CG2-CD1 4.05Å; V50-L58 HydrophobicContact CG1-CD1 4.08Å; V50-L58 PolarHBondContact O-N 3.22Å; Y52-L58 HydrophobicContact CD2-CD2 4.21Å; Y52-L58 HydrophobicContact CE1-CD2 4.43Å; Y52-L58 HydrophobicContact CE2-CD2 3.45Å; Y52-L58 VanDerWaalsContact CE2-CD2 3.45Å; Y52-L58 HydrophobicContact CE2-CG 4.32Å; L58-L67 HydrophobicContact CD1-CD1 3.92Å; L58-L67 HydrophobicContact CD2-CD1 3.64Å; L58-L67 HydrophobicContact CD2-CD2 3.98Å; L58-L67 HydrophobicContact CD2-CG 4.41Å; L58-L67 HydrophobicContact CG-CD1 4.36Å; L58-L74 HydrophobicContact CD1-CD1 4.2Å; L58-L74 HydrophobicContact CD1-CD2 3.89Å
59D87.9Confident81.8Confident86 Ų8665.7 Ų65.746%0.4637%0.37SS..PPolyproline II helixtrans-71.9129.7169.3-167.1-50.4000108.7V22 D61 D62V22-D59 WeakPolarHBondContact CB-O 3.17Å; D59-D61 PolarHBondContact O-N 3.03Å; D59-D61 VanDerWaalsContact O-N 3.08Å; D59-D61 PolarHBondContact OD1-N 3.26Å; D59-D62 WeakPolarHBondContact O-CB 3.23Å; D59-D62 PolarHBondContact O-N 2.97Å; D59-D62 VanDerWaalsContact O-N 3.13Å
60P88.1Confident80.6Confident50 Ų5065.1 Ų65.133%0.32537%0.369SS..THydrogen-bonded Turntrans-55.2-25.6176.722.3-34.2000113.5T21 V22 R23T21-P60 WeakPolarHBondContact CB-O 3.43Å; V22-P60 CarbonylContact C-O 3.58Å; V22-P60 PolarHBondContact N-O 3.35Å; R23-P60 HydrophobicContact CB-CB 4Å; R23-P60 VanDerWaalsContact CB-O 3.26Å; R23-P60 WeakPolarHBondContact CB-O 3.44Å; R23-P60 HydrophobicContact CG-CB 4.46Å; R23-P60 PolarHBondContact N-O 2.86Å
61D89.4Confident79.5Confident93 Ų9366.2 Ų66.250%0.49737%0.374SS..THydrogen-bonded Turntrans-94.21.9-176.7-63.9-12.3000113.7R23 D59R23-D61 IonicContact CZ-OD1 2.83Å; R23-D61 IonicContact NE-OD1 3.87Å; R23-D61 PolarHBondContact NE-OD1 3.31Å; R23-D61 VanDerWaalsContact NH2-CG 3.3Å; R23-D61 IonicContact NH2-OD1 2.96Å; R23-D61 PolarHBondContact NH2-OD1 2.85Å; R23-D61 IonicContact NH2-OD2 3.7Å; R23-D61 PolarHBondContact NH2-OD2 2.76Å; R23-D61 VanDerWaalsContact NH2-OD2 3.15Å; D59-D61 PolarHBondContact O-N 3.03Å; D59-D61 VanDerWaalsContact O-N 3.08Å; D59-D61 PolarHBondContact OD1-N 3.26Å
62D88.7Confident78.4Confident72 Ų7270.2 Ų70.239%0.38540%0.396SS..SBendtrans-67.8144.9171.4-79.8-29.9000111.9T21 V22 D59 L67T21-D62 CarbonylContact C-O 3.57Å; T21-D62 VanDerWaalsContact CA-O 3.22Å; T21-D62 WeakPolarHBondContact CA-O 3.38Å; V22-D62 HydrophobicContact CG2-CB 4.04Å; V22-D62 PolarHBondContact N-O 3.09Å; D59-D62 WeakPolarHBondContact O-CB 3.23Å; D59-D62 PolarHBondContact O-N 2.97Å; D59-D62 VanDerWaalsContact O-N 3.13Å; D62-L67 HydrophobicContact CB-CD1 4.25Å
63I87.7Confident77.9Confident75 Ų7573.2 Ų73.239%0.38541%0.41SS..BIsolated β-bridgetrans-83.4124.4179.6-40-179.6000109.9S65 D66I63-S65 WeakPolarHBondContact CG2-OG 3.28Å; I63-S65 PolarHBondContact O-N 3.49Å; I63-S65 VanDerWaalsContact O-N 3.1Å; I63-D66 PolarHBondContact O-N 2.9Å
64L83.4Confident78.4Confident1 Ų169.6 Ų69.61%0.00539%0.386CS..THydrogen-bonded Turntrans-68.2-13.8-174.7-15672.1000113.3M1 V3 C16 W20 V22 L25 D66 L67 K71M1-L64 HydrophobicContact CE-CB 3.86Å; M1-L64 HydrophobicContact CE-CD2 3.76Å; M1-L64 HydrophobicContact CE-CG 3.72Å; M1-L64 VanDerWaalsContact CE-O 3.25Å; M1-L64 WeakPolarHBondContact CE-O 3.04Å; V3-L64 HydrophobicContact CG2-CD2 3.85Å; V3-L64 HydrophobicContact CG2-CG 4.23Å; C16-L64 HydrophobicContact CB-CD2 3.71Å; C16-L64 WeakPolarHBondContact SG-CD2 3.47Å; W20-L64 VanDerWaalsContact O-CB 3.28Å; W20-L64 WeakPolarHBondContact O-CB 3.31Å; W20-L64 PolarHBondContact O-N 2.71Å; V22-L64 HydrophobicContact CG2-CD1 4.08Å; L25-L64 HydrophobicContact CB-CD1 4.27Å; L25-L64 HydrophobicContact CB-CD2 3.99Å; L25-L64 HydrophobicContact CD1-CD2 4.41Å; L25-L64 HydrophobicContact CD2-CD1 3.59Å; L25-L64 HydrophobicContact CD2-CD2 4.17Å; L25-L64 HydrophobicContact CG-CD2 4.42Å; L64-D66 PolarHBondContact O-N 2.89Å; L64-L67 HydrophobicContact CD1-CD1 4.24Å; L64-K71 WeakPolarHBondContact O-CE 3.46Å; L64-K71 PolarHBondContact O-NZ 3.14Å
65S79.2Confident79Confident44 Ų4465.9 Ų65.931%0.30836%0.364SS..THydrogen-bonded Turntrans-63.9-30.3169.146.40000112.4I63 V68I63-S65 WeakPolarHBondContact CG2-OG 3.28Å; I63-S65 PolarHBondContact O-N 3.49Å; I63-S65 VanDerWaalsContact O-N 3.1Å; S65-V68 WeakPolarHBondContact O-CG2 3.31Å
66D77.4Confident79.9Confident117 Ų11763.8 Ų63.863%0.62634%0.343SS*.THydrogen-bonded Turntrans-94.5-24.3-165.4-56.97.1000110.8I63 L64 V68I63-D66 PolarHBondContact O-N 2.9Å; L64-D66 PolarHBondContact O-N 2.89Å; D66-V68 PolarHBondContact O-N 3.4Å
67L70.9Confident80.3Confident30 Ų3064.6 Ų64.616%0.15734%0.342CS..  trans-79.646.4175.6-52.3176.2000111.8V22 Y52 L58 D62 L64 K71V22-L67 HydrophobicContact CG2-CD1 3.38Å; Y52-L67 WeakPolarHBondContact OH-CD2 3.18Å; L58-L67 HydrophobicContact CD1-CD1 3.92Å; L58-L67 HydrophobicContact CD2-CD1 3.64Å; L58-L67 HydrophobicContact CD2-CD2 3.98Å; L58-L67 HydrophobicContact CD2-CG 4.41Å; L58-L67 HydrophobicContact CG-CD1 4.36Å; D62-L67 HydrophobicContact CB-CD1 4.25Å; L64-L67 HydrophobicContact CD1-CD1 4.24Å; L67-K71 WeakPolarHBondContact O-CE 3.26Å; L67-K71 VanDerWaalsContact O-CG 3.28Å; L67-K71 WeakPolarHBondContact O-CG 3.14Å
68V57.7Low80.5Confident86 Ų8663.3 Ų63.352%0.52133%0.332SS..  trans-66.5-40.5-166.9-173.30000114.5S65 D66 D70S65-V68 WeakPolarHBondContact O-CG2 3.31Å; D66-V68 PolarHBondContact O-N 3.4Å; V68-D70 VanDerWaalsContact C-N 3.34Å; V68-D70 PolarHBondContact O-N 2.91Å
69E63.3Low80.6Confident181 Ų18166.2 Ų66.285%0.84635%0.345SS*.THydrogen-bonded Turntrans-81.3-16.4-154-55.8-175.5162.800113.2
70D63.6Low80.6Confident48 Ų4865.7 Ų65.726%0.25734%0.34SS..THydrogen-bonded Turntrans-129.224.6-172.3-75-63000114.1Y52 V68 D72 K73Y52-D70 HydrophobicContact CD1-CB 3.53Å; Y52-D70 HydrophobicContact CE1-CB 3.34Å; V68-D70 VanDerWaalsContact C-N 3.34Å; V68-D70 PolarHBondContact O-N 2.91Å; D70-D72 PolarHBondContact O-N 3.01Å; D70-K73 HydrophobicContact CB-CB 4.49Å; D70-K73 PolarHBondContact O-N 3.06Å; D70-K73 VanDerWaalsContact OD1-CD 3.23Å; D70-K73 WeakPolarHBondContact OD1-CD 3.35Å; D70-K73 WeakPolarHBondContact OD1-CE 3.18Å; D70-K73 IonicContact OD1-NZ 2.63Å; D70-K73 PolarHBondContact OD1-NZ 3.02Å
71K67.6Low80.1Confident23 Ų2368.8 Ų68.810%0.135%0.35CS..THydrogen-bonded Turntrans-60.4-13.3-178.1-76.5172.4169.2151.80116.2M1 V3 T4 L64 L67M1-K71 HydrophobicContact CG-CD 4.39Å; M1-K71 HydrophobicContact SD-CD 4.07Å; M1-K71 WeakPolarHBondContact SD-CE 3.48Å; M1-K71 PolarHBondContact SD-NZ 2.66Å; V3-K71 HydrophobicContact CG1-CB 4.36Å; V3-K71 HydrophobicContact CG1-CG 4.49Å; V3-K71 WeakPolarHBondContact CG1-O 3.43Å; V3-K71 HydrophobicContact CG2-CB 4.27Å; V3-K71 HydrophobicContact CG2-CD 4.1Å; V3-K71 HydrophobicContact CG2-CG 3.98Å; T4-K71 PolarHBondContact N-O 3.01Å; L64-K71 WeakPolarHBondContact O-CE 3.46Å; L64-K71 PolarHBondContact O-NZ 3.14Å; L67-K71 WeakPolarHBondContact O-CE 3.26Å; L67-K71 VanDerWaalsContact O-CG 3.28Å; L67-K71 WeakPolarHBondContact O-CG 3.14Å
72D68.6Low79.4Confident130 Ų13070.9 Ų70.970%0.69536%0.357SS*.THydrogen-bonded Turntrans-1089.3176.9-63.3-51.2000112.8T4 D70T4-D72 PolarHBondContact OG1-OD1 2.78Å; D70-D72 PolarHBondContact O-N 3.01Å
73K75.9Confident78.1Confident108 Ų10869.4 Ų69.447%0.4736%0.355SS..  trans-126.434.7-178.6-53.3-174.6-154.9152.10112.6Y52 C53 D70Y52-K73 CarbonylContact C-O 3.6Å; Y52-K73 WeakPolarHBondContact CA-O 3.33Å; C53-K73 HydrophobicContact CB-CB 4.16Å; C53-K73 PolarHBondContact N-O 3.47Å; C53-K73 VanDerWaalsContact SG-C 3.54Å; C53-K73 PolarHBondContact SG-O 3.2Å; D70-K73 HydrophobicContact CB-CB 4.49Å; D70-K73 PolarHBondContact O-N 3.06Å; D70-K73 VanDerWaalsContact OD1-CD 3.23Å; D70-K73 WeakPolarHBondContact OD1-CD 3.35Å; D70-K73 WeakPolarHBondContact OD1-CE 3.18Å; D70-K73 IonicContact OD1-NZ 2.63Å; D70-K73 PolarHBondContact OD1-NZ 3.02Å
74L88.9Confident76.3Confident5 Ų574.6 Ų74.63%0.02638%0.377CS..EExtended strand (participates in β ladder)trans-99111.8-178.8-62.6-169.3000111.9V3 V5 T6 L25 V50 E51 Y52 L58V3-L74 HydrophobicContact CG1-CD1 3.46Å; V3-L74 VanDerWaalsContact CG1-CD1 3.46Å; V3-L74 HydrophobicContact CG1-CG 4.36Å; V5-L74 CarbonylContact C-O 3.55Å; V5-L74 VanDerWaalsContact CA-O 3.24Å; V5-L74 WeakPolarHBondContact CA-O 3.25Å; V5-L74 HydrophobicContact CG2-CB 4.25Å; V5-L74 HydrophobicContact CG2-CD1 4.47Å; T6-L74 PolarHBondContact N-O 3.07Å; T6-L74 PolarHBondContact OG1-O 3.46Å; L25-L74 HydrophobicContact CD2-CD1 3.69Å; V50-L74 HydrophobicContact CG1-CB 3.74Å; V50-L74 HydrophobicContact CG1-CD1 4.11Å; V50-L74 HydrophobicContact CG1-CD2 4.29Å; V50-L74 HydrophobicContact CG1-CG 4.27Å; E51-L74 CarbonylContact O-C 3.6Å; E51-L74 VanDerWaalsContact O-CA 3.32Å; E51-L74 WeakPolarHBondContact O-CA 3.31Å; Y52-L74 HydrophobicContact CD1-CD2 3.36Å; Y52-L74 HydrophobicContact CE1-CD2 3.45Å; Y52-L74 VanDerWaalsContact CE1-CD2 3.45Å; Y52-L74 HydrophobicContact CG-CD2 4.29Å; L58-L74 HydrophobicContact CD1-CD1 4.2Å; L58-L74 HydrophobicContact CD1-CD2 3.89Å
75M89.8Confident74.5Confident62 Ų6283.4 Ų83.431%0.30542%0.418SS..EExtended strand (participates in β ladder)trans-86.1135171.5-64.6-63.1-59.400110.6T6 V50 E51T6-M75 PolarHBondContact OG1-SD 2.84Å; V50-M75 CarbonylContact C-O 3.57Å; V50-M75 VanDerWaalsContact CA-O 3.32Å; V50-M75 WeakPolarHBondContact CA-O 3.48Å; E51-M75 PolarHBondContact N-O 2.94Å; E51-M75 PolarHBondContact O-N 3.2Å
76A92.7Very high72.5Confident7 Ų793.5 Ų93.56%0.05845%0.45CS..EExtended strand (participates in β ladder)trans-84.6132.8164.400000110.2V5 T6 F7 T47 V50 Y78V5-A76 HydrophobicContact CG1-CB 3.76Å; T6-A76 PolarHBondContact O-N 2.88Å; F7-A76 HydrophobicContact CD1-CB 3.64Å; F7-A76 HydrophobicContact CD2-CB 4.07Å; F7-A76 HydrophobicContact CE1-CB 3.53Å; F7-A76 HydrophobicContact CE2-CB 3.94Å; F7-A76 HydrophobicContact CG-CB 3.91Å; F7-A76 HydrophobicContact CZ-CB 3.67Å; T47-A76 HydrophobicContact CG2-CB 4.13Å; V50-A76 HydrophobicContact CG2-CB 4.39Å; A76-Y78 HydrophobicContact CB-CD1 4.23Å; A76-Y78 WeakPolarHBondContact O-CD1 3.4Å
77V90.3Very high70.4Confident44 Ų4491.4 Ų91.427%0.26746%0.456SS..EExtended strand (participates in β ladder)trans-95113.2164.1176.60000107.6H48 H49 E51H48-V77 PolarHBondContact N-O 2.92Å; H49-V77 VanDerWaalsContact NE2-CG2 3.34Å; H49-V77 WeakPolarHBondContact NE2-CG2 3.45Å; H49-V77 PolarHBondContact O-N 3.41Å; E51-V77 HydrophobicContact CG-CG2 3.89Å
78Y92.2Very high68.6Low62 Ų6297.2 Ų97.224%0.24349%0.493CS..EExtended strand (participates in β ladder)trans-142.1156.2-17270.5-76.7000112.6F7 Y33 V45 R46 A76 E80F7-Y78 HydrophobicContact CB-CD1 4.28Å; F7-Y78 HydrophobicContact CB-CE1 3.72Å; F7-Y78 AromaticContact CD1-CD1 3.63Å; F7-Y78 HydrophobicContact CD1-CD1 3.63Å; F7-Y78 HydrophobicContact CD1-CD2 4.22Å; F7-Y78 AromaticContact CD1-CE1 3.94Å; F7-Y78 HydrophobicContact CD1-CE1 3.94Å; F7-Y78 HydrophobicContact CD1-CE2 4.45Å; F7-Y78 AromaticContact CD1-CG 3.79Å; F7-Y78 HydrophobicContact CD1-CG 3.79Å; F7-Y78 HydrophobicContact CE1-CD1 4.45Å; F7-Y78 HydrophobicContact CE1-CG 4.38Å; F7-Y78 HydrophobicContact CG-CD1 4.34Å; F7-Y78 HydrophobicContact CG-CE1 4.27Å; F7-Y78 PolarHBondContact O-OH 2.84Å; Y33-Y78 AromaticContact CE1-CD2 3.93Å; Y33-Y78 HydrophobicContact CE1-CD2 3.93Å; Y33-Y78 AromaticContact CE1-CE2 3.5Å; Y33-Y78 HydrophobicContact CE1-CE2 3.5Å; Y33-Y78 VanDerWaalsContact CE1-CE2 3.5Å; Y33-Y78 AromaticContact CE1-CZ 3.96Å; Y33-Y78 AromaticContact CZ-CE2 3.94Å; Y33-Y78 PolarHBondContact OH-OH 2.73Å; Y33-Y78 VanDerWaalsContact OH-OH 3.05Å; V45-Y78 HydrophobicContact CG1-CD2 3.94Å; V45-Y78 HydrophobicContact CG1-CG 4.41Å; R46-Y78 CarbonylContact O-C 3.58Å; R46-Y78 VanDerWaalsContact O-CA 3.24Å; R46-Y78 WeakPolarHBondContact O-CA 3.44Å; R46-Y78 WeakPolarHBondContact O-CB 3.43Å; A76-Y78 HydrophobicContact CB-CD1 4.23Å; A76-Y78 WeakPolarHBondContact O-CD1 3.4Å; Y78-E80 HydrophobicContact CD2-CB 4.23Å; Y78-E80 HydrophobicContact CE2-CB 4.08Å
79E90.1Very high67.4Low67 Ų6796.7 Ų96.731%0.31350%0.497SS..EExtended strand (participates in β ladder)trans-108.9138.2168.9178.9-168.7-157.300107.9V45 R46V45-E79 WeakPolarHBondContact CA-O 3.35Å; R46-E79 IonicContact CZ-OE2 3.1Å; R46-E79 PolarHBondContact N-O 3.19Å; R46-E79 IonicContact NE-OE2 2.78Å; R46-E79 PolarHBondContact NE-OE2 3.46Å; R46-E79 IonicContact NH2-OE1 2.7Å; R46-E79 PolarHBondContact NH2-OE1 3.44Å; R46-E79 IonicContact NH2-OE2 3.26Å; R46-E79 PolarHBondContact NH2-OE2 2.89Å; R46-E79 PolarHBondContact O-N 2.88Å
80E86.6Confident65.8Low75 Ų7595.4 Ų95.435%0.3550%0.496SS..EExtended strand (participates in β ladder)trans-126.2128.9178.9-174.5180154.400108.9Y33 L37 F43 V45 Y78Y33-E80 PolarHBondContact OH-OE2 2.6Å; L37-E80 HydrophobicContact CD1-CG 4.2Å; L37-E80 WeakPolarHBondContact CD2-OE1 3.46Å; F43-E80 HydrophobicContact CB-CG 4.44Å; F43-E80 HydrophobicContact CD1-CG 4.12Å; V45-E80 HydrophobicContact CG2-CG 4.33Å; Y78-E80 HydrophobicContact CD2-CB 4.23Å; Y78-E80 HydrophobicContact CE2-CB 4.08Å
81Q77.2Confident64Low115 Ų115100.3 Ų100.354%0.53753%0.528SS..EExtended strand (participates in β ladder)trans-136.2119.6-176.9-179.216568.800110.1V44 A83V44-Q81 PolarHBondContact N-O 3.11Å; V44-Q81 PolarHBondContact O-N 3.35Å; Q81-A83 PolarHBondContact O-N 2.93Å
82E75.2Confident62.2Low136 Ų136104 Ų10464%0.63656%0.556SS**EExtended strand (participates in β ladder)trans-59.4127.6173.5-168.9-175.9172.300110.1F43 Q84F43-E82 HydrophobicContact CD1-CB 4.15Å; F43-E82 HydrophobicContact CE1-CB 3.87Å; F43-E82 HydrophobicContact CE1-CG 4.03Å; E82-Q84 VanDerWaalsContact C-N 3.32Å; E82-Q84 PolarHBondContact O-N 2.98Å
83A61.9Low60.2Low42 Ų42105.6 Ų105.635%0.34756%0.564SS.*  trans-75.386.5179.900000109.8D42 V44 Q81 Q85D42-A83 HydrophobicContact CB-CB 3.76Å; D42-A83 WeakPolarHBondContact O-CB 3.38Å; D42-A83 PolarHBondContact O-N 2.9Å; V44-A83 HydrophobicContact CG2-CB 4.22Å; Q81-A83 PolarHBondContact O-N 2.93Å; A83-Q85 PolarHBondContact O-N 2.99Å
84Q50.8Low58.4Low184 Ų184107.1 Ų107.186%0.8658%0.583SS**  trans-48.4110.3-175.6-162.317134.100112.3E82 R86E82-Q84 VanDerWaalsContact C-N 3.32Å; E82-Q84 PolarHBondContact O-N 2.98Å; Q84-R86 PolarHBondContact O-N 3.4Å; Q84-R86 VanDerWaalsContact O-N 3.09Å
85Q44.9Very low55.6Low185 Ų185112.8 Ų112.886%0.86462%0.62SS**  trans-54.6113-167.5-65.3-178.17.600113A83A83-Q85 PolarHBondContact O-N 2.99Å
86R37.7Very low52.4Low256 Ų256115.2 Ų115.297%0.96664%0.643SS**  trans-114.897.1164.1-85.4-164.4170.3-134.10.6109.9Q84Q84-R86 PolarHBondContact O-N 3.4Å; Q84-R86 VanDerWaalsContact O-N 3.09Å
87G33.3Very low49.9Very low74 Ų74120.6 Ų120.676%0.76368%0.677SS**  trans-142.216.4-17300000116.1
88V33Very low46.9Very low152 Ų152125.7 Ų125.792%0.92170%0.703SS**SBendtrans-131.9145.6170.8-171.20000109.7
89A32.8Very low43.9Very low75 Ų75130.1 Ų130.162%0.6273%0.73SS**  trans-83.2170.5-157.900000116.1
90D29.5Very low40.9Very low153 Ų153135.1 Ų135.182%0.81875%0.753SS**  trans54.7127.7149.5-55.5-26.6000121.2
91T26Very low37.9Very low152 Ų152140.2 Ų140.293%0.93378%0.777SS**  trans-110.7110.1147.243.90000110
92S28Very low35.7Very low99 Ų99138.7 Ų138.769%0.69278%0.784SS**  trans-132.9142.5157.677.30000109.3
93L28Very low33.4Very low164 Ų164140.1 Ų140.186%0.85979%0.79SS**  trans64.199.6173.5-50.6179.2000116.8
94T37Very low32Very low141 Ų141144.7 Ų144.787%0.86581%0.808SS**  trans-71.2146.4157.949.40000111.7
95P30.8Very low30.9Very low123 Ų123140.3 Ų140.380%0.79980%0.798SS**  -138.9168.5123.237-24.8000114.4
96S21.7Very low30Very low113 Ų113136.2 Ų136.279%0.7979%0.785SS**  trans-95-171.8173.1-36.50000111
97P40.8Very low29.5Very low120 Ų120133 Ų13378%0.77978%0.779SS**  cis-131-156.3-1338.4-17.4000113.3
98D28.3Very low29.3Very low151 Ų151137.3 Ų137.381%0.80778%0.779SS**  trans-64157.4-176.5-56.9-86.2000118.1
99L27.9Very low29.9Very low155 Ų155134.4 Ų134.481%0.81276%0.763SS**  trans-160.6127.3134.4-141.470.6000115
100H27Very low29.6Very low173 Ų173138.4 Ų138.480%0.80177%0.773SS**  trans21.8144.4145.2-58.8-127.9000120.2
101Q23.7Very low30.1Very low182 Ų182137.4 Ų137.485%0.8577%0.773SS**  177.8153.558-171.9178.11.200111.7
102A31.3Very low30.1Very low82 Ų82133.6 Ų133.668%0.67876%0.763SS**  trans62.2155.2160.400000119.2
103E28.1Very low29.9Very low166 Ų166132.1 Ų132.178%0.77676%0.764SS**  cis-152.2155.7-18.8-116.9-179.5137.900111.4
104L32.1Very low30Very low138 Ų138133.2 Ų133.272%0.72376%0.764SS**  trans15.3114.3149.2-60.2172000118.5
105S26.7Very low29.6Very low93 Ų93133.9 Ų133.965%0.6576%0.761SS**  107.6128.990.7-77.50000111.4
106V27.1Very low29.7Very low98 Ų98135.9 Ų135.959%0.59476%0.76SS**  58.8119.677.8-178.90000110.1
107F26.7Very low30.4Very low188 Ų188137.8 Ų137.883%0.82577%0.767SS**  cis-114.6153.734.5-65.4-98.4000114.5
108Q29.2Very low29.6Very low166 Ų166138.4 Ų138.478%0.77676%0.763SS**  cis74.8158.439.1-97-145.90.100115.2
109P45.7Very low30.3Very low90 Ų90136.1 Ų136.158%0.58476%0.759SS**  trans-99.5169.8-144.740.1-39.5000115.2
110I27Very low30.5Very low159 Ų159134.1 Ų134.182%0.81576%0.758SS**  trans-148.2126.4154-84.1116.5000103.7
111T38.2Very low30.7Very low133 Ų133130.4 Ų130.482%0.81676%0.757SS**  cis75.25731.9-36.60000113.5
112G26.3Very low31.4Very low72 Ų72129.1 Ų129.174%0.74276%0.755SS**  trans177.2140.217100000107.1
113G24.6Very low31.5Very low68 Ų68134.8 Ų134.870%0.70177%0.765SS**  cis118.495.913.500000108.3
114E29.5Very low31.5Very low186 Ų186132.1 Ų132.187%0.86976%0.764SS**  trans62.8125.8169.6-57.9165.2-124.300116.6
115I29.6Very low31.4Very low155 Ų155132.1 Ų132.180%0.79577%0.765SS**  172.8129.9114.2-85.5155.2000110
116E32.7Very low31.5Very low165 Ų165134.3 Ų134.377%0.77178%0.775SS**  trans-10.6141.4161.5-49.8179.1130.400119.5N118E116-N118 PolarHBondContact O-N 3.44Å
117V35.4Very low32.6Very low154 Ų154134.7 Ų134.793%0.93378%0.779SS**  trans-66.7115163.5-174.10000109.6
118N25.1Very low32.5Very low133 Ų133133 Ų13371%0.71178%0.778SS**  trans-147166.5167.5-139.5-31.5000114.9E116E116-N118 PolarHBondContact O-N 3.44Å
119S42.6Very low32.4Very low102 Ų102132.2 Ų132.271%0.71378%0.776SS**SBendtrans-94.2115.6-153.152.40000114.4
120S32.5Very low31.5Very low113 Ų113133.1 Ų133.179%0.7978%0.78SS**  trans173.3-20.4152.2420000113.4L122S120-L122 WeakPolarHBondContact O-CA 3.44Å; S120-L122 PolarHBondContact O-N 3.08Å
121A31.2Very low31.5Very low96 Ų96136.5 Ų136.579%0.79378%0.782SS**  trans-67.8125.9-173.800000114
122L37Very low30.9Very low154 Ų154135.5 Ų135.581%0.80678%0.781SS**  cis-157.592.7-31.9-127.2167.7000108.3S120S120-L122 WeakPolarHBondContact O-CA 3.44Å; S120-L122 PolarHBondContact O-N 3.08Å
123K34.6Very low31Very low202 Ų202137.5 Ų137.588%0.87878%0.783SS**  trans-138.193.9176.6-89.3-173.1177.9172.40113.2
124S28.2Very low31.1Very low109 Ų109138.8 Ų138.876%0.76278%0.782SS**  trans-144.275.6148.463.90000111.2
125N30.4Very low31Very low139 Ų139136.5 Ų136.574%0.74378%0.776SS**  trans44.5117.9141.2-61.2-9.2000121.6
126T27.7Very low30.9Very low138 Ų138134.1 Ų134.185%0.84777%0.772SS**  trans76.6160.4140.134.10000119.2
127P49.8Very low30.5Very low107 Ų107130.1 Ų130.170%0.69577%0.768SS**  -127.6-150.1-129.646.9-33.4000115.5
128L25.8Very low30.2Very low151 Ų151130.3 Ų130.379%0.79176%0.763SS**  trans85.5147.3-178.7-47.3178000113.5
129M25.8Very low30.1Very low150 Ų150131 Ų13174%0.73977%0.766SS**  cis-160.8134.9-9.8-121.8176.666.800113
130V26.6Very low30.1Very low110 Ų110131.2 Ų131.267%0.66777%0.766SS**  trans56.2113.9131.4173.70000122.4
131R27.3Very low29.9Very low229 Ų229134.7 Ų134.786%0.86477%0.769SS**  trans93.2147.5136.3-100.2176.9160.9156-5.3124.7
132S26.9Very low29.7Very low113 Ų113137 Ų13779%0.7977%0.774SS**  trans74.6144.4159.7-59.20000117.3
133S28.7Very low29.1Very low113 Ų113135.5 Ų135.579%0.7977%0.771SS**  cis-141.21789.758.50000114.4
134S25.8Very low28.7Very low96 Ų96134.7 Ų134.767%0.67177%0.771SS**  trans-53.5171.4167.5-35.20000113.5
135D27.6Very low28.6Very low138 Ų138134.3 Ų134.374%0.73877%0.774SS**  cis-151.4145.438.2-102-48.2000112.1
136S26.5Very low28.3Very low104 Ų104135.5 Ų135.573%0.72778%0.775SS**  68.8141.483.2-56.80000114.9
137A25.3Very low28.4Very low81 Ų81134.3 Ų134.367%0.66977%0.769SS**  cis-169.3159.2-7.400000112.9
138L28.2Very low27.1Very low158 Ų158132 Ų13283%0.82776%0.756SS**  trans53.2119.4147.4-62.9165.9000123.1
139N24.3Very low27.1Very low147 Ų147134.8 Ų134.879%0.78676%0.758SS**  40.7156.2107.1-120.931.4000121.8
140P41.6Very low27.1Very low108 Ų108133.3 Ų133.370%0.70175%0.753SS**  cis-132.1-154.5-33.238.1-18.2000112.9
141Q28.1Very low27Very low185 Ų185135.7 Ų135.786%0.86476%0.757SS**  trans-50.8152.5177.3-59.1176-60.800116.7
142T26.5Very low26.9Very low146 Ų146131.3 Ų131.390%0.89675%0.75SS**  trans-152.4163.8136.3-22.10000111.3
143T25.7Very low26.9Very low122 Ų122129.9 Ų129.975%0.74874%0.741SS**  trans-97.8173.5-170-22.10000113.2
144E26Very low26.8Very low185 Ų185129.6 Ų129.686%0.86474%0.738SS**  trans68.2110.1157.5-66.9174.5-167.600119.9
145A26.4Very low26.9Very low101 Ų101130.6 Ų130.684%0.83574%0.74SS**  -166.2115.8124.500000111.2
146E24.1Very low26.9Very low164 Ų164130 Ų13077%0.76674%0.741SS**  trans-70.9149158.2-93.9-74145.900109.3S148E146-S148 PolarHBondContact OE2-N 2.86Å
147P30.5Very low26.8Very low112 Ų112129.6 Ų129.673%0.72775%0.745SS**  -151.1111.995.635.5-15.1000117
148S21.4Very low26.9Very low60 Ų60130 Ų13042%0.4275%0.748SS.*  73.1138.4107.780.60000122.9E146E146-S148 PolarHBondContact OE2-N 2.86Å
149Y25.4Very low26.7Very low208 Ų208128.6 Ų128.682%0.81675%0.751SS**  trans69.2142.2154.8-46.7-50.1000116.8
150N25.8Very low26.9Very low119 Ų119126.5 Ų126.564%0.63676%0.755SS**  cis-157.8173.61.5-131.622.2000113.6
151E25.2Very low26.1Very low161 Ų161130.4 Ų130.475%0.75276%0.764SS**  trans1.7151.3140.8-75173.412000120.3
152D25.3Very low26.3Very low136 Ų136128.5 Ų128.573%0.72776%0.764SS**  cis-169.9168.8-6.1-174.726.9000111.4
153S26.9Very low26.4Very low84 Ų84130.3 Ų130.359%0.58776%0.763SS**  trans33.9107.6147.5-710000123.4
154S25.7Very low26.6Very low106 Ų106127.9 Ų127.974%0.74176%0.761SS**  88.9161.8111.579.50000124.2
155V28.3Very low27.2Very low118 Ų118124.8 Ų124.872%0.71576%0.758SS**  trans76.9127158.7-121.50000124.4
156T27.1Very low27.1Very low124 Ų124131.9 Ų131.976%0.76176%0.763SS**  trans67105.1142.635.50000125.1
157A25.9Very low27.3Very low96 Ų96127.5 Ų127.579%0.79376%0.762SS**  80.4159.7103.600000124.4
158A26.7Very low27.4Very low91 Ų91131.1 Ų131.175%0.75277%0.771SS**  trans85.291.2157.500000121.4
159S24.1Very low27.7Very low127 Ų127137.1 Ų137.189%0.88879%0.793SS**  34.7123.4122.3-46.10000122.9
160A29Very low27.8Very low104 Ų104138.1 Ų138.186%0.8680%0.795SS**  trans-162.1165.2133.900000111.1
161E24.7Very low27.9Very low190 Ų190136.2 Ų136.289%0.88880%0.796SS**  trans-104.7160.7-173.9-58166.1119.400112.8
162V32.3Very low28.3Very low144 Ų144134.5 Ų134.587%0.87380%0.799SS**  trans177.4163.4131.5148.10000111.1
163E28.1Very low28.5Very low185 Ų185132.6 Ų132.686%0.86479%0.792SS**  trans-61.4163.9-162.5-56.2177.1101.600118.5
164G28.8Very low28.8Very low70 Ų70137.6 Ų137.672%0.72280%0.803SS**  trans-85.3-157.8170.600000113.9
165P38.8Very low28.9Very low121 Ų121138.8 Ų138.879%0.78680%0.801SS**  cis-146.3-179.742.642.1-22.8000117.6
166R25.6Very low29.2Very low249 Ų249139.9 Ų139.994%0.9481%0.808SS**  trans72.8134.2166.6-57.5-176.8179.6-137.80.4118.4
167G26.8Very low29.4Very low73 Ų73142 Ų14275%0.75381%0.807SS**  trans132.298.8144.900000116.7
168M33.4Very low29.8Very low188 Ų188142.4 Ų142.493%0.92680%0.804SS**  trans44.794.6142.7-143.674.4160.700119.3
169E28Very low30.8Very low185 Ų185141.9 Ų141.986%0.86481%0.807SS**  -172.9146.4127.3-108.2-159.3147.700112.3
170R26.6Very low32.8Very low229 Ų229139 Ų13986%0.86479%0.788SS**  trans-155.795.2159-123.2-176.1-170.3-170.83.9111.5
171A28.5Very low35.4Very low79 Ų79135.9 Ų135.965%0.65376%0.756SS**PPolyproline II helixtrans-57.3157.1161.100000110.7V173A171-V173 PolarHBondContact O-N 3.47Å
172P33.4Very low38.5Very low125 Ų125127.8 Ų127.881%0.81272%0.719SS**PPolyproline II helixtrans-69.4131.8-157.925.1-34.8000114K174P172-K174 PolarHBondContact O-N 3.25Å
173V28.9Very low41.2Very low97 Ų97124.5 Ų124.559%0.58869%0.691SS**PPolyproline II helixtrans-70123.4170.2-177.10000108.8A171 N175A171-V173 PolarHBondContact O-N 3.47Å; V173-N175 PolarHBondContact O-N 3.18Å
174K34.8Very low44.2Very low189 Ų189119.1 Ų119.182%0.82267%0.671SS**  trans-66.2100.6170.5-69.3178.8179.8176.40108.9P172 T176P172-K174 PolarHBondContact O-N 3.25Å; K174-T176 PolarHBondContact O-N 3.13Å
175N28Very low47.1Very low130 Ų130116.2 Ų116.270%0.69564%0.64SS**  trans-68.694.9179.5-107.717000110.9V173 F177V173-N175 PolarHBondContact O-N 3.18Å; N175-F177 VanDerWaalsContact C-N 3.29Å; N175-F177 PolarHBondContact O-N 3.23Å
176T34.7Very low49.5Very low142 Ų142115 Ų11587%0.87162%0.624SS**  trans-75.180.3170.5-53.30000109.4K174K174-T176 PolarHBondContact O-N 3.13Å
177F29.7Very low52.6Low168 Ų168103.3 Ų103.374%0.73758%0.579SS**  trans-90.8126.9175.5-115.1-86.7000111.7N175N175-F177 VanDerWaalsContact C-N 3.29Å; N175-F177 PolarHBondContact O-N 3.23Å
178S34.4Very low55.2Low105 Ų105105.4 Ų105.473%0.73457%0.57SS**  trans-84.8136.9179.549.30000111.9S180S178-S180 PolarHBondContact O-N 3.11Å
179G48.3Very low57.1Low79 Ų7997.3 Ų97.381%0.81453%0.534SS*.SBendtrans69.3-20.3154.400000119.1L181G179-L181 PolarHBondContact O-N 3.42Å
180S66.4Low59.2Low68 Ų6892 Ų9248%0.47651%0.509SS..  trans-69.3129.3-179.5-163.90000111.6S178 T182S178-S180 PolarHBondContact O-N 3.11Å; S180-T182 WeakPolarHBondContact CB-O 3.46Å; S180-T182 PolarHBondContact OG-O 3Å; S180-T182 PolarHBondContact OG-OG1 3.46Å
181L83.7Confident60.8Low38 Ų3888.5 Ų88.520%0.19951%0.508CS..SBendtrans-88.5-23.2175.7-69.8163.6000111.8G179 N273 R276 Y277 S280G179-L181 PolarHBondContact O-N 3.42Å; L181-N273 HydrophobicContact CD2-CB 4.43Å; L181-N273 PolarHBondContact O-ND2 3.11Å; L181-R276 HydrophobicContact CD2-CB 3.54Å; L181-Y277 HydrophobicContact CB-CD2 4.08Å; L181-S280 VanDerWaalsContact CD1-CB 3.5Å
182T88.9Confident62.7Low19 Ų1989.4 Ų89.412%0.11750%0.502CS..SBendtrans-95.3146.3170.145.80000111.1S180 V236 E267 V268 V269 Y277S180-T182 WeakPolarHBondContact CB-O 3.46Å; S180-T182 PolarHBondContact OG-O 3Å; S180-T182 PolarHBondContact OG-OG1 3.46Å; T182-V236 HydrophobicContact CG2-CG2 3.6Å; T182-E267 HydrophobicContact CG2-CB 3.98Å; T182-E267 PolarHBondContact OG1-OE2 3.06Å; T182-V268 CarbonylContact C-O 3.29Å; T182-V268 WeakPolarHBondContact CA-O 3.43Å; T182-V269 HydrophobicContact CG2-CG2 3.59Å; T182-Y277 HydrophobicContact CG2-CD2 4.28Å; T182-Y277 HydrophobicContact CG2-CE2 3.94Å
183R89.8Confident64.7Low75 Ų7588.7 Ų88.728%0.28350%0.497SS..EExtended strand (participates in β ladder)trans-98.7151157.580.1176.7-166.8-124.3-6.5109.1V185 L228 E233 V268 S270R183-V185 HydrophobicContact CG-CG2 4.16Å; R183-L228 PolarHBondContact NH2-O 3.32Å; R183-E233 IonicContact CZ-OE1 3.05Å; R183-E233 IonicContact CZ-OE2 1.74Å; R183-E233 VanDerWaalsContact CZ-OE2 3.26Å; R183-E233 VanDerWaalsContact NH1-CD 3.28Å; R183-E233 IonicContact NH1-OE1 2.69Å; R183-E233 PolarHBondContact NH1-OE1 2.7Å; R183-E233 IonicContact NH1-OE2 3.73Å; R183-E233 PolarHBondContact NH1-OE2 2.72Å; R183-E233 VanDerWaalsContact NH1-OE2 3.1Å; R183-E233 IonicContact NH2-OE1 2.68Å; R183-E233 IonicContact NH2-OE2 3.96Å; R183-E233 PolarHBondContact NH2-OE2 2.73Å; R183-V268 HydrophobicContact CG-CB 4.23Å; R183-V268 PolarHBondContact N-O 3.01Å; R183-V268 PolarHBondContact O-N 2.84Å; R183-S270 PolarHBondContact NH1-OG 2.65Å
184T90.1Very high67.4Low72 Ų7284.6 Ų84.644%0.44247%0.472SS..EExtended strand (participates in β ladder)trans-89.8132.7168.1-48.80000109.6E186 L266T184-E186 HydrophobicContact CG2-CG 3.99Å; T184-L266 CarbonylContact C-O 3.5Å; T184-L266 VanDerWaalsContact CA-O 3.3Å; T184-L266 WeakPolarHBondContact CA-O 3.42Å
185V90.1Very high69.8Low10 Ų1076 Ų766%0.06144%0.437CS..EExtended strand (participates in β ladder)trans-112.8130.5169.1178.90000107.2R183 I187 L228 L266 V268R183-V185 HydrophobicContact CG-CG2 4.16Å; V185-I187 HydrophobicContact CG1-CD1 4.4Å; V185-I187 HydrophobicContact CG1-CG1 4.07Å; V185-L228 HydrophobicContact CG1-CB 3.94Å; V185-L228 HydrophobicContact CG1-CD2 3.89Å; V185-L228 HydrophobicContact CG1-CG 4.47Å; V185-L266 HydrophobicContact CB-CB 4.45Å; V185-L266 PolarHBondContact N-O 3.43Å; V185-L266 PolarHBondContact O-N 2.8Å; V185-V268 HydrophobicContact CB-CG2 4.19Å; V185-V268 HydrophobicContact CG2-CB 4.23Å; V185-V268 HydrophobicContact CG2-CG2 3.72Å
186E90.2Very high72.8Confident96 Ų9671 Ų7145%0.44941%0.41SS..EExtended strand (participates in β ladder)trans-116.8128.4179.8-56.6-166.4173.900109.2T184 L263 V264 R265T184-E186 HydrophobicContact CG2-CG 3.99Å; E186-L263 HydrophobicContact CB-CD1 4.41Å; E186-V264 CarbonylContact C-O 3.59Å; E186-V264 WeakPolarHBondContact CA-O 3.47Å; E186-R265 HydrophobicContact CG-CG 4.16Å; E186-R265 IonicContact OE1-CZ 3.69Å; E186-R265 IonicContact OE1-NE 2.71Å; E186-R265 PolarHBondContact OE1-NE 3.33Å; E186-R265 IonicContact OE1-NH2 3.15Å; E186-R265 PolarHBondContact OE1-NH2 3.19Å
187I89.1Confident75.3Confident2 Ų268.9 Ų68.91%0.0139%0.39CS..EExtended strand (participates in β ladder)trans-129.4143.5-171.1-46.1178.8000107.8V185 L194 L228 F229 V264 L266V185-I187 HydrophobicContact CG1-CD1 4.4Å; V185-I187 HydrophobicContact CG1-CG1 4.07Å; I187-L194 HydrophobicContact CD1-CD1 3.88Å; I187-L194 HydrophobicContact CD1-CD2 4.32Å; I187-L194 HydrophobicContact CG2-CD1 4.29Å; I187-L194 HydrophobicContact CG2-CD2 3.87Å; I187-L228 HydrophobicContact CB-CD1 4.42Å; I187-L228 HydrophobicContact CD1-CD1 3.85Å; I187-L228 HydrophobicContact CG1-CD1 3.8Å; I187-L228 HydrophobicContact CG1-CD2 4.16Å; I187-L228 HydrophobicContact CG2-CD1 3.91Å; I187-F229 HydrophobicContact CD1-CE2 3.9Å; I187-F229 HydrophobicContact CD1-CZ 3.71Å; I187-V264 HydrophobicContact CB-CB 4.28Å; I187-V264 PolarHBondContact N-O 2.93Å; I187-V264 PolarHBondContact O-N 2.93Å; I187-L266 HydrophobicContact CD1-CD1 3.55Å; I187-L266 HydrophobicContact CD1-CG 4.38Å; I187-L266 HydrophobicContact CG1-CD1 4.49Å
188Q81.2Confident78.3Confident117 Ų11762.6 Ų62.655%0.54737%0.365SS..EExtended strand (participates in β ladder)trans-79.7128.3171.4-61.7-179.776.300109.6E190 R222 P262Q188-E190 PolarHBondContact O-N 2.86Å; Q188-R222 PolarHBondContact O-NH1 2.9Å; Q188-P262 WeakPolarHBondContact CA-O 3.26Å
189G75.3Confident81.1Confident18 Ų1860 Ų6019%0.18635%0.345CS..  trans-78.275.4176.900000111.5M259 S261 P262G189-M259 CarbonylContact C-O 3.53Å; G189-M259 VanDerWaalsContact CA-O 3.32Å; G189-M259 WeakPolarHBondContact CA-O 3.37Å; G189-S261 VanDerWaalsContact CA-O 3.24Å; G189-S261 WeakPolarHBondContact CA-O 3.48Å; G189-P262 PolarHBondContact N-O 3.41Å; G189-P262 VanDerWaalsContact N-O 3.07Å
190E71.1Confident83.2Confident73 Ų7359.4 Ų59.434%0.34133%0.327SS..  trans-93.4148.3163.7-61.2157.1-127.200108.6Q188 N192 R222 M259Q188-E190 PolarHBondContact O-N 2.86Å; E190-N192 PolarHBondContact O-N 3.13Å; E190-N192 PolarHBondContact OE2-ND2 3.33Å; E190-R222 IonicContact OE1-CZ 2.6Å; E190-R222 VanDerWaalsContact OE1-CZ 3.24Å; E190-R222 IonicContact OE1-NH1 3.99Å; E190-R222 PolarHBondContact OE1-NH1 2.65Å; E190-R222 IonicContact OE1-NH2 3Å; E190-R222 PolarHBondContact OE1-NH2 3.37Å; E190-R222 IonicContact OE2-NH1 3.98Å; E190-R222 PolarHBondContact OE2-NH1 3.32Å; E190-M259 WeakPolarHBondContact O-CE 3.49Å
191D60Low84.4Confident157 Ų15756.1 Ų56.184%0.8430%0.304SS*.SBendtrans-66.96.3-179-59.4-74.1000115
192N68.5Low84.8Confident97 Ų9757.1 Ų57.152%0.51931%0.313SS..SBendtrans-74.9134.8175.7-73-47.9000111.4E190 L194E190-N192 PolarHBondContact O-N 3.13Å; E190-N192 PolarHBondContact OE2-ND2 3.33Å; N192-L194 PolarHBondContact O-N 3.38Å
193P76.1Confident84.7Confident110 Ų11056.6 Ų56.671%0.71431%0.311SS*.  trans-64.4134.1179.326.9-34.3000111.3G195P193-G195 PolarHBondContact O-N 3.11Å
194L83.9Confident84.4Confident11 Ų1157.3 Ų57.36%0.05833%0.327CS..  trans-72.1-13.1-179.8-87.4166000114.3I187 N192 I196 S221 R222 S223 L228 F255 M259I187-L194 HydrophobicContact CD1-CD1 3.88Å; I187-L194 HydrophobicContact CD1-CD2 4.32Å; I187-L194 HydrophobicContact CG2-CD1 4.29Å; I187-L194 HydrophobicContact CG2-CD2 3.87Å; N192-L194 PolarHBondContact O-N 3.38Å; L194-I196 HydrophobicContact CB-CG1 4.47Å; L194-S221 WeakPolarHBondContact O-CB 3.4Å; L194-R222 HydrophobicContact CD2-CB 4.24Å; L194-R222 HydrophobicContact CD2-CG 4Å; L194-S223 WeakPolarHBondContact CD2-OG 3.39Å; L194-S223 WeakPolarHBondContact O-CB 3.46Å; L194-S223 PolarHBondContact O-N 2.73Å; L194-S223 PolarHBondContact O-OG 2.66Å; L194-L228 HydrophobicContact CD2-CD1 3.76Å; L194-F255 HydrophobicContact CD1-CE1 3.94Å; L194-F255 HydrophobicContact CD1-CZ 3.64Å; L194-M259 HydrophobicContact CD1-CE 3.88Å; L194-M259 HydrophobicContact CD1-SD 3.56Å; L194-M259 VanDerWaalsContact CD1-SD 3.56Å; L194-M259 HydrophobicContact CG-CE 4.18Å; L194-M259 HydrophobicContact CG-SD 4.48Å
195G85.9Confident83.7Confident8 Ų858.6 Ų58.68%0.08233%0.331CS..  trans60.444.4178.400000114.4P193 E218P193-G195 PolarHBondContact O-N 3.11Å; G195-E218 WeakPolarHBondContact CA-OE2 3.32Å; G195-E218 PolarHBondContact O-N 3.23Å
196I90.3Very high83.2Confident27 Ų2761.2 Ų61.214%0.13835%0.35CS..EExtended strand (participates in β ladder)trans-115.5134.3174.659.3176.1000110.4L194 V198 V217 S223 F229 I235 F255L194-I196 HydrophobicContact CB-CG1 4.47Å; I196-V198 HydrophobicContact CD1-CG1 4Å; I196-V198 HydrophobicContact CG1-CG1 4.18Å; I196-V217 HydrophobicContact CG2-CG1 4.28Å; I196-V217 HydrophobicContact CG2-CG2 4.17Å; I196-S223 VanDerWaalsContact CG2-OG 3.28Å; I196-S223 WeakPolarHBondContact CG2-OG 3.16Å; I196-F229 HydrophobicContact CD1-CD2 4.39Å; I196-F229 HydrophobicContact CD1-CE2 3.9Å; I196-F229 HydrophobicContact CD1-CZ 4.11Å; I196-F229 HydrophobicContact CG2-CD2 3.78Å; I196-F229 HydrophobicContact CG2-CE2 4.15Å; I196-I235 HydrophobicContact CD1-CD1 4.29Å; I196-F255 HydrophobicContact CD1-CE2 4.23Å; I196-F255 HydrophobicContact CD1-CZ 3.97Å
197H88.7Confident82.8Confident97 Ų9759.4 Ų59.445%0.44936%0.356SS..EExtended strand (participates in β ladder)trans-93111.1173.5-56.5-47.9000109R215 G216 E218H197-R215 PolarHBondContact O-N 2.88Å; H197-G216 PolarHBondContact N-O 3.07Å; H197-E218 IonicContact CE1-OE1 2.71Å; H197-E218 PolarHBondContact CE1-OE1 3Å; H197-E218 IonicContact NE2-OE1 3.09Å
198V93Very high82.7Confident35 Ų3565.2 Ų65.221%0.21238%0.378CS..EExtended strand (participates in β ladder)trans-110.5143.3-179-66.30000112.7I196 L212 Y213 I214 F248I196-V198 HydrophobicContact CD1-CG1 4Å; I196-V198 HydrophobicContact CG1-CG1 4.18Å; V198-L212 HydrophobicContact CB-CB 4.34Å; V198-L212 HydrophobicContact CG1-CB 4.45Å; V198-L212 HydrophobicContact CG2-CD2 4.47Å; V198-Y213 CarbonylContact C-O 3.52Å; V198-Y213 VanDerWaalsContact CA-O 3.23Å; V198-Y213 WeakPolarHBondContact CA-O 3.22Å; V198-I214 HydrophobicContact CG1-CG1 4.16Å; V198-F248 HydrophobicContact CG2-CE2 4.49Å; V198-F248 WeakPolarHBondContact O-CZ 3.24Å
199V92.8Very high83.1Confident50 Ų5060.7 Ų60.730%0.30336%0.36SS..EExtended strand (participates in β ladder)trans-130167.7174.1-57.60000109.7Y201 Y213 R215 F248V199-Y201 PolarHBondContact O-N 3.08Å; V199-Y213 HydrophobicContact CG2-CD1 3.78Å; V199-Y213 HydrophobicContact CG2-CG 4.31Å; V199-Y213 PolarHBondContact N-O 3.01Å; V199-Y213 PolarHBondContact O-N 3.21Å; V199-R215 HydrophobicContact CG1-CB 4.43Å; V199-F248 VanDerWaalsContact C-CE2 3.47Å
200P92.6Very high83.7Confident67 Ų6760 Ų6044%0.43535%0.352SS..EExtended strand (participates in β ladder)trans-62.6126.1179.7-17.829000111.8C202 F248P200-C202 PolarHBondContact O-N 2.85Å; P200-F248 HydrophobicContact CB-CB 4.47Å; P200-F248 HydrophobicContact CB-CD2 4.15Å; P200-F248 HydrophobicContact CG-CB 3.97Å; P200-F248 HydrophobicContact CG-CD1 4.48Å; P200-F248 HydrophobicContact CG-CD2 3.67Å; P200-F248 HydrophobicContact CG-CE2 4.25Å; P200-F248 HydrophobicContact CG-CG 3.8Å
201Y92Very high84.7Confident0 Ų056.6 Ų56.60%034%0.336CS..EExtended strand (participates in β ladder)trans-87.696.4168.8173.9-149.5000109.1V199 L210 G211 C234 V236 R274 E278V199-Y201 PolarHBondContact O-N 3.08Å; Y201-L210 HydrophobicContact CD1-CB 3.58Å; Y201-L210 HydrophobicContact CE1-CB 3.59Å; Y201-L210 HydrophobicContact CE1-CD1 3.94Å; Y201-L210 HydrophobicContact CE1-CG 4.42Å; Y201-L210 HydrophobicContact CE2-CD1 3.94Å; Y201-L210 HydrophobicContact CG-CB 4.09Å; Y201-L210 WeakPolarHBondContact O-CA 3.42Å; Y201-L210 PolarHBondContact O-N 2.86Å; Y201-G211 PolarHBondContact N-O 2.86Å; Y201-G211 PolarHBondContact O-N 3.47Å; Y201-C234 HydrophobicContact CD1-CB 3.5Å; Y201-C234 VanDerWaalsContact CD1-CB 3.5Å; Y201-C234 HydrophobicContact CE1-CB 3.55Å; Y201-C234 HydrophobicContact CG-CB 4.1Å; Y201-V236 HydrophobicContact CD1-CG1 4.13Å; Y201-V236 HydrophobicContact CE1-CG1 3.88Å; Y201-R274 HydrophobicContact CE2-CG 4.22Å; Y201-E278 WeakPolarHBondContact OH-CG 3.39Å
202C90.3Very high86.4Confident58 Ų5849.2 Ų49.239%0.39230%0.296SS..EExtended strand (participates in β ladder)trans-92.2149.1171.7-60.30000111.4P200 S204 R208P200-C202 PolarHBondContact O-N 2.85Å; C202-S204 PolarHBondContact O-N 2.82Å; C202-R208 CarbonylContact C-O 3.43Å; C202-R208 VanDerWaalsContact CA-O 3.3Å; C202-R208 WeakPolarHBondContact CA-O 3.34Å
203S87.2Confident87.6Confident9 Ų946.7 Ų46.76%0.06328%0.28CS..  trans-65.8123.9173.9178.80000111.1L205 S206 G207 R208 E278S203-L205 PolarHBondContact O-N 3.22Å; S203-L205 VanDerWaalsContact O-N 3.16Å; S203-L205 PolarHBondContact OG-N 2.9Å; S203-L205 VanDerWaalsContact OG-N 3.14Å; S203-S206 WeakPolarHBondContact CB-OG 3.45Å; S203-S206 PolarHBondContact OG-N 3.2Å; S203-S206 VanDerWaalsContact OG-N 3.13Å; S203-S206 PolarHBondContact OG-OG 3.03Å; S203-S206 VanDerWaalsContact OG-OG 3.12Å; S203-G207 WeakPolarHBondContact O-CA 3.32Å; S203-G207 PolarHBondContact O-N 3.28Å; S203-R208 PolarHBondContact N-O 2.96Å; S203-E278 WeakPolarHBondContact CA-OE2 3.18Å; S203-E278 WeakPolarHBondContact CB-OE2 3.44Å; S203-E278 PolarHBondContact OG-OE2 3.42Å
204S83.4Confident88.4Confident90 Ų9041.4 Ų41.463%0.62925%0.246SC*.THydrogen-bonded Turntrans-59.3-19.3168.9-44.80000113.3C202 E278C202-S204 PolarHBondContact O-N 2.82Å; S204-E278 WeakPolarHBondContact CB-OE1 3.09Å; S204-E278 PolarHBondContact N-OE1 2.93Å; S204-E278 PolarHBondContact N-OE2 2.94Å; S204-E278 PolarHBondContact OG-OE1 3.1Å
205L76.4Confident88.7Confident99 Ų9947.8 Ų47.852%0.51827%0.269SS..THydrogen-bonded Turntrans-104.2-28.6-175.5-60.5176.4000114S203 E278 K279 I282S203-L205 PolarHBondContact O-N 3.22Å; S203-L205 VanDerWaalsContact O-N 3.16Å; S203-L205 PolarHBondContact OG-N 2.9Å; S203-L205 VanDerWaalsContact OG-N 3.14Å; L205-E278 HydrophobicContact CD1-CB 4.12Å; L205-E278 PolarHBondContact N-OE2 3.3Å; L205-K279 HydrophobicContact CD1-CG 4.05Å; L205-I282 HydrophobicContact CB-CD1 3.9Å; L205-I282 HydrophobicContact CD1-CD1 3.51Å; L205-I282 HydrophobicContact CG-CD1 4.34Å
206S78.8Confident88.8Confident65 Ų6547.8 Ų47.846%0.45527%0.269SS..THydrogen-bonded Turntrans-131.7-6.2-173.264.60000115.6S203 R208S203-S206 WeakPolarHBondContact CB-OG 3.45Å; S203-S206 PolarHBondContact OG-N 3.2Å; S203-S206 VanDerWaalsContact OG-N 3.13Å; S203-S206 PolarHBondContact OG-OG 3.03Å; S203-S206 VanDerWaalsContact OG-OG 3.12Å; S206-R208 PolarHBondContact O-N 3.26Å
207G82.3Confident88.7Confident57 Ų5747 Ų4759%0.58827%0.265SS*.  trans69.8-9.2-175.700000115.5S203S203-G207 WeakPolarHBondContact O-CA 3.32Å; S203-G207 PolarHBondContact O-N 3.28Å
208R86.1Confident88.7Confident124 Ų12446.8 Ų46.847%0.46827%0.265SS..  trans-62.9151.3177.7-68.5-175.2-177.1-140.87.4112.3C202 S203 S206 D245C202-R208 CarbonylContact C-O 3.43Å; C202-R208 VanDerWaalsContact CA-O 3.3Å; C202-R208 WeakPolarHBondContact CA-O 3.34Å; S203-R208 PolarHBondContact N-O 2.96Å; S206-R208 PolarHBondContact O-N 3.26Å; R208-D245 WeakPolarHBondContact CB-OD1 3.33Å; R208-D245 WeakPolarHBondContact CD-OD1 3.45Å; R208-D245 IonicContact NH1-OD1 3.38Å; R208-D245 IonicContact NH1-OD2 2.64Å; R208-D245 PolarHBondContact NH1-OD2 3.1Å
209S89.6Confident88.2Confident23 Ų2353 Ų5316%0.16129%0.292CS..EExtended strand (participates in β ladder)trans-69.7129.1170.4-1720000110.3D245 K246S209-D245 PolarHBondContact O-N 2.82Å; S209-K246 WeakPolarHBondContact CB-O 3.43Å; S209-K246 PolarHBondContact OG-O 3.09Å
210L89.1Confident87.7Confident4 Ų457.6 Ų57.62%0.02131%0.31CS..EExtended strand (participates in β ladder)trans-115-0.8175.8-51.8-175.5000111.9Y201 V236 M244 E278 L281Y201-L210 HydrophobicContact CD1-CB 3.58Å; Y201-L210 HydrophobicContact CE1-CB 3.59Å; Y201-L210 HydrophobicContact CE1-CD1 3.94Å; Y201-L210 HydrophobicContact CE1-CG 4.42Å; Y201-L210 HydrophobicContact CE2-CD1 3.94Å; Y201-L210 HydrophobicContact CG-CB 4.09Å; Y201-L210 WeakPolarHBondContact O-CA 3.42Å; Y201-L210 PolarHBondContact O-N 2.86Å; L210-V236 WeakPolarHBondContact O-CG1 3.37Å; L210-M244 HydrophobicContact CB-SD 4.14Å; L210-M244 HydrophobicContact CD2-CE 3.59Å; L210-M244 HydrophobicContact CD2-SD 3.39Å; L210-M244 WeakPolarHBondContact CD2-SD 3.49Å; L210-M244 HydrophobicContact CG-SD 4.34Å; L210-E278 HydrophobicContact CD1-CG 3.84Å; L210-L281 HydrophobicContact CD1-CD1 4.32Å; L210-L281 HydrophobicContact CD2-CD1 3.86Å
211G92.8Very high87.3Confident1 Ų154.8 Ų54.81%0.0129%0.291CS..EExtended strand (participates in β ladder)trans131.6-134.4177.700000114.4Y201Y201-G211 PolarHBondContact N-O 2.86Å; Y201-G211 PolarHBondContact O-N 3.47Å
212L94.3Very high86.9Confident1 Ų156.2 Ų56.21%0.00530%0.297CS..EExtended strand (participates in β ladder)trans-119.6135.6-174.5-61.2170.9000111.2V198 C234 I235 L243 F248 F255V198-L212 HydrophobicContact CB-CB 4.34Å; V198-L212 HydrophobicContact CG1-CB 4.45Å; V198-L212 HydrophobicContact CG2-CD2 4.47Å; L212-C234 CarbonylContact O-C 3.57Å; L212-C234 VanDerWaalsContact O-CA 3.3Å; L212-C234 WeakPolarHBondContact O-CA 3.42Å; L212-I235 HydrophobicContact CB-CB 4.32Å; L212-I235 PolarHBondContact N-O 3.3Å; L212-I235 PolarHBondContact O-N 3.2Å; L212-L243 HydrophobicContact CD1-CD1 4.27Å; L212-L243 HydrophobicContact CG-CD1 4.16Å; L212-F248 HydrophobicContact CD2-CD2 3.57Å; L212-F248 HydrophobicContact CD2-CE2 3.54Å; L212-F255 HydrophobicContact CD1-CD2 4.34Å
213Y93.6Very high86.8Confident44 Ų4453.4 Ų53.417%0.17328%0.278CS..EExtended strand (participates in β ladder)trans-105.4131.9175.6-177.8-112.2000110.6V198 V199 R215 D232V198-Y213 CarbonylContact C-O 3.52Å; V198-Y213 VanDerWaalsContact CA-O 3.23Å; V198-Y213 WeakPolarHBondContact CA-O 3.22Å; V199-Y213 HydrophobicContact CG2-CD1 3.78Å; V199-Y213 HydrophobicContact CG2-CG 4.31Å; V199-Y213 PolarHBondContact N-O 3.01Å; V199-Y213 PolarHBondContact O-N 3.21Å; Y213-R215 PolarHBondContact O-N 3.01Å; Y213-D232 HydrophobicContact CE2-CB 4.23Å; Y213-D232 WeakPolarHBondContact CE2-O 3.36Å; Y213-D232 WeakPolarHBondContact OH-CA 3.29Å; Y213-D232 WeakPolarHBondContact OH-CB 3.39Å; Y213-D232 PolarHBondContact OH-OD1 3.17Å
214I93.6Very high86.8Confident0 Ų057.8 Ų57.80%029%0.293CS..EExtended strand (participates in β ladder)trans-88.1103.4179.8-57.2177.8000108.8V198 V217 F229 D232 E233 I235V198-I214 HydrophobicContact CG1-CG1 4.16Å; I214-V217 HydrophobicContact CG2-CG2 3.87Å; I214-F229 HydrophobicContact CD1-CB 3.65Å; I214-F229 HydrophobicContact CD1-CD1 3.28Å; I214-F229 HydrophobicContact CD1-CD2 4.41Å; I214-F229 HydrophobicContact CD1-CE1 3.92Å; I214-F229 HydrophobicContact CD1-CG 3.55Å; I214-D232 PolarHBondContact O-N 2.94Å; I214-D232 VanDerWaalsContact O-N 3.11Å; I214-E233 WeakPolarHBondContact CB-O 3.19Å; I214-E233 HydrophobicContact CD1-CB 4.5Å; I214-E233 PolarHBondContact N-O 2.94Å; I214-I235 HydrophobicContact CD1-CD1 4.21Å; I214-I235 HydrophobicContact CD1-CG1 4.13Å; I214-I235 HydrophobicContact CG1-CD1 4.5Å; I214-I235 HydrophobicContact CG1-CG1 4.46Å
215R90.1Very high86.7Confident144 Ų14460 Ų6054%0.54329%0.292SS..EExtended strand (participates in β ladder)trans-75.2-25.9177.9-173.5177.3-175.4162.911.4112.4H197 V199 Y213 D1069H197-R215 PolarHBondContact O-N 2.88Å; V199-R215 HydrophobicContact CG1-CB 4.43Å; Y213-R215 PolarHBondContact O-N 3.01Å; R215-D1069 IonicContact CZ-OD1 2.71Å; R215-D1069 IonicContact NH1-OD1 2.69Å; R215-D1069 PolarHBondContact NH1-OD1 3.04Å; R215-D1069 VanDerWaalsContact NH1-OD1 3.09Å; R215-D1069 IonicContact NH2-OD1 3.74Å; R215-D1069 PolarHBondContact NH2-OD1 3.21Å; R215-D1069 IonicContact NH2-OD2 3.6Å
216G87.4Confident87Confident8 Ų859.5 Ų59.58%0.08229%0.286CS..EExtended strand (participates in β ladder)trans-174.8162.7-179.500000112.3H197H197-G216 PolarHBondContact N-O 3.07Å
217V88.6Confident87.3Confident11 Ų1158.7 Ų58.77%0.06729%0.288CS..EExtended strand (participates in β ladder)trans-130.2119.8177.7-176.80000108.6I196 I214 E219 S221 R224 F229I196-V217 HydrophobicContact CG2-CG1 4.28Å; I196-V217 HydrophobicContact CG2-CG2 4.17Å; I214-V217 HydrophobicContact CG2-CG2 3.87Å; V217-E219 PolarHBondContact O-N 3.2Å; V217-S221 WeakPolarHBondContact CG1-OG 3.48Å; V217-R224 HydrophobicContact CG1-CB 4.18Å; V217-F229 HydrophobicContact CG2-CB 4.34Å
218E88.6Confident87.5Confident92 Ų9256.9 Ų56.943%0.4327%0.265SS..  trans-62.5136.9-176.2-55.3163.6165.500110.1G195 H197 E220 S221 R224G195-E218 WeakPolarHBondContact CA-OE2 3.32Å; G195-E218 PolarHBondContact O-N 3.23Å; H197-E218 IonicContact CE1-OE1 2.71Å; H197-E218 PolarHBondContact CE1-OE1 3Å; H197-E218 IonicContact NE2-OE1 3.09Å; E218-E220 VanDerWaalsContact C-N 3.32Å; E218-E220 PolarHBondContact O-N 3.04Å; E218-S221 WeakPolarHBondContact O-CB 3.43Å; E218-S221 PolarHBondContact O-N 3.46Å; E218-S221 PolarHBondContact O-OG 2.94Å; E218-R224 WeakPolarHBondContact O-CB 3.49Å
219E83.1Confident87.6Confident167 Ų16751 Ų5178%0.7824%0.243SC*.THydrogen-bonded Turntrans-61.9-37.4-169.4-169.4166-157.400113.1V217 S221 R224V217-E219 PolarHBondContact O-N 3.2Å; E219-S221 VanDerWaalsContact C-N 3.35Å; E219-R224 WeakPolarHBondContact O-CB 3.2Å; E219-R224 WeakPolarHBondContact O-CG 3.45Å
220E81.7Confident87.5Confident146 Ų14655.2 Ų55.268%0.68226%0.26SS*.THydrogen-bonded Turntrans-87.33.2176.9-76.2-63.8141.400114.1E218 K225E218-E220 VanDerWaalsContact C-N 3.32Å; E218-E220 PolarHBondContact O-N 3.04Å; E220-K225 VanDerWaalsContact O-CE 3.32Å; E220-K225 WeakPolarHBondContact O-CE 3.29Å; E220-K225 PolarHBondContact O-NZ 3.12Å; E220-K225 VanDerWaalsContact OE2-CE 3.31Å; E220-K225 WeakPolarHBondContact OE2-CE 3.16Å; E220-K225 IonicContact OE2-NZ 3.81Å; E220-K225 PolarHBondContact OE2-NZ 2.88Å
221S85.6Confident87.4Confident7 Ų760 Ų605%0.04928%0.282CS..SBendtrans-69.9159.3-175.466.60000114.5L194 V217 E218 E219 S223 R224 K225L194-S221 WeakPolarHBondContact O-CB 3.4Å; V217-S221 WeakPolarHBondContact CG1-OG 3.48Å; E218-S221 WeakPolarHBondContact O-CB 3.43Å; E218-S221 PolarHBondContact O-N 3.46Å; E218-S221 PolarHBondContact O-OG 2.94Å; E219-S221 VanDerWaalsContact C-N 3.35Å; S221-S223 PolarHBondContact O-N 2.74Å; S221-S223 PolarHBondContact OG-N 2.86Å; S221-R224 PolarHBondContact O-N 2.89Å; S221-R224 PolarHBondContact OG-N 3.05Å; S221-K225 WeakPolarHBondContact O-CG 3.3Å; S221-K225 PolarHBondContact O-N 3.16Å
222R83.4Confident87.1Confident30 Ų3063.9 Ų63.911%0.11330%0.303CS..Hα-helixtrans-52.7-43.9164-178.7178.9-177.6145.133.8111.6Q188 E190 L194 R224 K225 E226Q188-R222 PolarHBondContact O-NH1 2.9Å; E190-R222 IonicContact OE1-CZ 2.6Å; E190-R222 VanDerWaalsContact OE1-CZ 3.24Å; E190-R222 IonicContact OE1-NH1 3.99Å; E190-R222 PolarHBondContact OE1-NH1 2.65Å; E190-R222 IonicContact OE1-NH2 3Å; E190-R222 PolarHBondContact OE1-NH2 3.37Å; E190-R222 IonicContact OE2-NH1 3.98Å; E190-R222 PolarHBondContact OE2-NH1 3.32Å; L194-R222 HydrophobicContact CD2-CB 4.24Å; L194-R222 HydrophobicContact CD2-CG 4Å; R222-R224 VanDerWaalsContact C-N 3.28Å; R222-R224 PolarHBondContact O-N 3.13Å; R222-K225 PolarHBondContact O-N 3.43Å; R222-E226 HydrophobicContact CG-CG 4.26Å; R222-E226 IonicContact CZ-OE1 3.25Å; R222-E226 VanDerWaalsContact CZ-OE1 3.27Å; R222-E226 IonicContact CZ-OE2 3.16Å; R222-E226 IonicContact NE-OE1 3.11Å; R222-E226 PolarHBondContact NE-OE1 2.94Å; R222-E226 IonicContact NE-OE2 2.72Å; R222-E226 PolarHBondContact NE-OE2 2.83Å; R222-E226 IonicContact NH2-OE1 2.8Å; R222-E226 PolarHBondContact NH2-OE1 2.77Å; R222-E226 IonicContact NH2-OE2 2.7Å; R222-E226 WeakPolarHBondContact O-CB 3.08Å; R222-E226 PolarHBondContact O-N 2.78Å
223S87.6Confident87.1Confident0 Ų063.9 Ų63.90%030%0.303CS..Hα-helixtrans-65.7-27.7-178.8-67.70000114.5L194 I196 S221 G227 L228 F229L194-S223 WeakPolarHBondContact CD2-OG 3.39Å; L194-S223 WeakPolarHBondContact O-CB 3.46Å; L194-S223 PolarHBondContact O-N 2.73Å; L194-S223 PolarHBondContact O-OG 2.66Å; I196-S223 VanDerWaalsContact CG2-OG 3.28Å; I196-S223 WeakPolarHBondContact CG2-OG 3.16Å; S221-S223 PolarHBondContact O-N 2.74Å; S221-S223 PolarHBondContact OG-N 2.86Å; S223-G227 PolarHBondContact O-N 2.6Å; S223-L228 PolarHBondContact O-N 3.34Å; S223-F229 WeakPolarHBondContact OG-CD2 2.99Å
224R86.1Confident87.1Confident100 Ų10061.8 Ų61.838%0.37729%0.294SS..Hα-helixtrans-77.3-47.7171.1-159.189-64.7-140.3-1.6111.4V217 E218 E219 S221 R222 E226 G227 F229V217-R224 HydrophobicContact CG1-CB 4.18Å; E218-R224 WeakPolarHBondContact O-CB 3.49Å; E219-R224 WeakPolarHBondContact O-CB 3.2Å; E219-R224 WeakPolarHBondContact O-CG 3.45Å; S221-R224 PolarHBondContact O-N 2.89Å; S221-R224 PolarHBondContact OG-N 3.05Å; R222-R224 VanDerWaalsContact C-N 3.28Å; R222-R224 PolarHBondContact O-N 3.13Å; R224-E226 PolarHBondContact O-N 2.79Å; R224-G227 PolarHBondContact O-N 2.81Å; R224-G227 VanDerWaalsContact O-N 3.15Å; R224-F229 PolarHBondContact NH2-O 3.14Å
225K82.3Confident87.1Confident138 Ų13861.8 Ų61.860%0.629%0.294SS*.Hα-helixtrans-65.1-36.6-177.9-72.7164.9177.8163.60113.5E220 S221 R222E220-K225 VanDerWaalsContact O-CE 3.32Å; E220-K225 WeakPolarHBondContact O-CE 3.29Å; E220-K225 PolarHBondContact O-NZ 3.12Å; E220-K225 VanDerWaalsContact OE2-CE 3.31Å; E220-K225 WeakPolarHBondContact OE2-CE 3.16Å; E220-K225 IonicContact OE2-NZ 3.81Å; E220-K225 PolarHBondContact OE2-NZ 2.88Å; S221-K225 WeakPolarHBondContact O-CG 3.3Å; S221-K225 PolarHBondContact O-N 3.16Å; R222-K225 PolarHBondContact O-N 3.43Å
226E83Confident87.3Confident88 Ų8855 Ų5541%0.41127%0.269SS..THydrogen-bonded Turntrans-91.3-3174.9-68.3178.1178.800113.1R222 R224 L228R222-E226 HydrophobicContact CG-CG 4.26Å; R222-E226 IonicContact CZ-OE1 3.25Å; R222-E226 VanDerWaalsContact CZ-OE1 3.27Å; R222-E226 IonicContact CZ-OE2 3.16Å; R222-E226 IonicContact NE-OE1 3.11Å; R222-E226 PolarHBondContact NE-OE1 2.94Å; R222-E226 IonicContact NE-OE2 2.72Å; R222-E226 PolarHBondContact NE-OE2 2.83Å; R222-E226 IonicContact NH2-OE1 2.8Å; R222-E226 PolarHBondContact NH2-OE1 2.77Å; R222-E226 IonicContact NH2-OE2 2.7Å; R222-E226 WeakPolarHBondContact O-CB 3.08Å; R222-E226 PolarHBondContact O-N 2.78Å; R224-E226 PolarHBondContact O-N 2.79Å; E226-L228 HydrophobicContact CB-CD1 4.11Å; E226-L228 HydrophobicContact CB-CD2 4.03Å; E226-L228 HydrophobicContact CB-CG 3.69Å; E226-L228 PolarHBondContact O-N 2.83Å; E226-L228 VanDerWaalsContact O-N 3.15Å; E226-L228 WeakPolarHBondContact OE2-CD1 3.45Å
227G84.1Confident87.6Confident48 Ų4857.2 Ų57.250%0.49528%0.277SS..  trans63.716.6177.300000115.6S223 R224 F229S223-G227 PolarHBondContact O-N 2.6Å; R224-G227 PolarHBondContact O-N 2.81Å; R224-G227 VanDerWaalsContact O-N 3.15Å; G227-F229 VanDerWaalsContact C-N 3.3Å; G227-F229 PolarHBondContact O-N 2.93Å
228L85.9Confident87.8Confident19 Ų1956.8 Ų56.810%0.09927%0.274CS..  trans-59.6-37-168.6-62172.9000113.7R183 V185 I187 L194 S223 E226R183-L228 PolarHBondContact NH2-O 3.32Å; V185-L228 HydrophobicContact CG1-CB 3.94Å; V185-L228 HydrophobicContact CG1-CD2 3.89Å; V185-L228 HydrophobicContact CG1-CG 4.47Å; I187-L228 HydrophobicContact CB-CD1 4.42Å; I187-L228 HydrophobicContact CD1-CD1 3.85Å; I187-L228 HydrophobicContact CG1-CD1 3.8Å; I187-L228 HydrophobicContact CG1-CD2 4.16Å; I187-L228 HydrophobicContact CG2-CD1 3.91Å; L194-L228 HydrophobicContact CD2-CD1 3.76Å; S223-L228 PolarHBondContact O-N 3.34Å; E226-L228 HydrophobicContact CB-CD1 4.11Å; E226-L228 HydrophobicContact CB-CD2 4.03Å; E226-L228 HydrophobicContact CB-CG 3.69Å; E226-L228 PolarHBondContact O-N 2.83Å; E226-L228 VanDerWaalsContact O-N 3.15Å; E226-L228 WeakPolarHBondContact OE2-CD1 3.45Å
229F89.5Confident87.8Confident0 Ų054.4 Ų54.40%026%0.264CS..  trans-135149.6-174.9-51.5-79.5000111.5I187 I196 I214 V217 S223 R224 G227 I235 L266 V268I187-F229 HydrophobicContact CD1-CE2 3.9Å; I187-F229 HydrophobicContact CD1-CZ 3.71Å; I196-F229 HydrophobicContact CD1-CD2 4.39Å; I196-F229 HydrophobicContact CD1-CE2 3.9Å; I196-F229 HydrophobicContact CD1-CZ 4.11Å; I196-F229 HydrophobicContact CG2-CD2 3.78Å; I196-F229 HydrophobicContact CG2-CE2 4.15Å; I214-F229 HydrophobicContact CD1-CB 3.65Å; I214-F229 HydrophobicContact CD1-CD1 3.28Å; I214-F229 HydrophobicContact CD1-CD2 4.41Å; I214-F229 HydrophobicContact CD1-CE1 3.92Å; I214-F229 HydrophobicContact CD1-CG 3.55Å; V217-F229 HydrophobicContact CG2-CB 4.34Å; S223-F229 WeakPolarHBondContact OG-CD2 2.99Å; R224-F229 PolarHBondContact NH2-O 3.14Å; G227-F229 VanDerWaalsContact C-N 3.3Å; G227-F229 PolarHBondContact O-N 2.93Å; F229-I235 HydrophobicContact CE1-CD1 3.81Å; F229-I235 HydrophobicContact CE1-CG1 4.04Å; F229-I235 HydrophobicContact CZ-CD1 4.1Å; F229-L266 HydrophobicContact CE1-CD1 3.67Å; F229-L266 HydrophobicContact CZ-CD1 3.37Å; F229-V268 HydrophobicContact CD1-CG2 4.34Å; F229-V268 HydrophobicContact CE1-CG2 4.06Å
230Q86.6Confident88Confident111 Ų11151.7 Ų51.752%0.51926%0.255SS..  trans-109.6166.3165.3-58.4174.913.300109.1E233Q230-E233 HydrophobicContact CB-CG 4.03Å; Q230-E233 PolarHBondContact N-OE2 3.44Å
231E87.1Confident88.4Confident106 Ų10647.8 Ų47.850%0.49524%0.241SC..THydrogen-bonded Turntrans-69.1155.4172.4-53.4-175.5139.100109.5E233E231-E233 PolarHBondContact O-N 2.86Å
232D87.4Confident88.6Confident81 Ų8150.9 Ų50.943%0.43326%0.257SS..THydrogen-bonded Turntrans63.212.5-174.9-58.2-29.3000116.4Y213 I214 S271Y213-D232 HydrophobicContact CE2-CB 4.23Å; Y213-D232 WeakPolarHBondContact CE2-O 3.36Å; Y213-D232 WeakPolarHBondContact OH-CA 3.29Å; Y213-D232 WeakPolarHBondContact OH-CB 3.39Å; Y213-D232 PolarHBondContact OH-OD1 3.17Å; I214-D232 PolarHBondContact O-N 2.94Å; I214-D232 VanDerWaalsContact O-N 3.11Å; D232-S271 WeakPolarHBondContact O-CB 3.35Å
233E94Very high89Confident1 Ų149.5 Ų49.51%0.00525%0.252CS..  trans-87.9151.2173.1-58.5-158.6111.400113R183 I214 Q230 E231 V268 S270R183-E233 IonicContact CZ-OE1 3.05Å; R183-E233 IonicContact CZ-OE2 1.74Å; R183-E233 VanDerWaalsContact CZ-OE2 3.26Å; R183-E233 VanDerWaalsContact NH1-CD 3.28Å; R183-E233 IonicContact NH1-OE1 2.69Å; R183-E233 PolarHBondContact NH1-OE1 2.7Å; R183-E233 IonicContact NH1-OE2 3.73Å; R183-E233 PolarHBondContact NH1-OE2 2.72Å; R183-E233 VanDerWaalsContact NH1-OE2 3.1Å; R183-E233 IonicContact NH2-OE1 2.68Å; R183-E233 IonicContact NH2-OE2 3.96Å; R183-E233 PolarHBondContact NH2-OE2 2.73Å; I214-E233 WeakPolarHBondContact CB-O 3.19Å; I214-E233 HydrophobicContact CD1-CB 4.5Å; I214-E233 PolarHBondContact N-O 2.94Å; Q230-E233 HydrophobicContact CB-CG 4.03Å; Q230-E233 PolarHBondContact N-OE2 3.44Å; E231-E233 PolarHBondContact O-N 2.86Å; E233-V268 HydrophobicContact CB-CG1 3.81Å; E233-S270 VanDerWaalsContact OE1-CA 3.29Å; E233-S270 WeakPolarHBondContact OE1-CA 3.42Å; E233-S270 VanDerWaalsContact OE1-CB 3.22Å; E233-S270 WeakPolarHBondContact OE1-CB 3.36Å; E233-S270 PolarHBondContact OE1-OG 2.88Å
234C93.4Very high89.1Confident0 Ų051.5 Ų51.50%026%0.262CS..EExtended strand (participates in β ladder)trans-118.4118.5-174.9-46.10000111Y201 L212 V236 V268 V269Y201-C234 HydrophobicContact CD1-CB 3.5Å; Y201-C234 VanDerWaalsContact CD1-CB 3.5Å; Y201-C234 HydrophobicContact CE1-CB 3.55Å; Y201-C234 HydrophobicContact CG-CB 4.1Å; L212-C234 CarbonylContact O-C 3.57Å; L212-C234 VanDerWaalsContact O-CA 3.3Å; L212-C234 WeakPolarHBondContact O-CA 3.42Å; C234-V236 HydrophobicContact CB-CG1 4.48Å; C234-V268 CarbonylContact O-C 3.58Å; C234-V268 WeakPolarHBondContact O-CA 3.46Å; C234-V269 HydrophobicContact CB-CB 4.22Å; C234-V269 PolarHBondContact N-O 2.82Å; C234-V269 PolarHBondContact O-N 3.26Å
235I94.2Very high89.3Confident0 Ų051 Ų510%027%0.267CS..EExtended strand (participates in β ladder)trans-81122.3169.7-50.6172.1000107.9I196 L212 I214 F229 I238 L243 F255 L266 V268I196-I235 HydrophobicContact CD1-CD1 4.29Å; L212-I235 HydrophobicContact CB-CB 4.32Å; L212-I235 PolarHBondContact N-O 3.3Å; L212-I235 PolarHBondContact O-N 3.2Å; I214-I235 HydrophobicContact CD1-CD1 4.21Å; I214-I235 HydrophobicContact CD1-CG1 4.13Å; I214-I235 HydrophobicContact CG1-CD1 4.5Å; I214-I235 HydrophobicContact CG1-CG1 4.46Å; F229-I235 HydrophobicContact CE1-CD1 3.81Å; F229-I235 HydrophobicContact CE1-CG1 4.04Å; F229-I235 HydrophobicContact CZ-CD1 4.1Å; I235-I238 HydrophobicContact CG2-CG1 4.13Å; I235-L243 HydrophobicContact CG2-CD1 4.24Å; I235-F255 HydrophobicContact CD1-CE2 3.92Å; I235-L266 HydrophobicContact CD1-CD1 4.28Å; I235-L266 HydrophobicContact CG2-CB 4.34Å; I235-L266 HydrophobicContact CG2-CD2 4.26Å; I235-V268 HydrophobicContact CG1-CG2 4.32Å
236V93.5Very high89.7Confident2 Ų248.1 Ų48.11%0.01225%0.254CS..EExtended strand (participates in β ladder)trans-114-16-177.1-59.90000113.2T182 Y201 L210 C234 L243 E267 V269 Y277T182-V236 HydrophobicContact CG2-CG2 3.6Å; Y201-V236 HydrophobicContact CD1-CG1 4.13Å; Y201-V236 HydrophobicContact CE1-CG1 3.88Å; L210-V236 WeakPolarHBondContact O-CG1 3.37Å; C234-V236 HydrophobicContact CB-CG1 4.48Å; V236-L243 WeakPolarHBondContact O-CB 3.36Å; V236-L243 PolarHBondContact O-N 2.88Å; V236-E267 HydrophobicContact CG2-CB 4.12Å; V236-E267 WeakPolarHBondContact CG2-O 3.43Å; V236-E267 PolarHBondContact N-O 3.15Å; V236-V269 HydrophobicContact CG1-CG2 3.69Å; V236-V269 HydrophobicContact CG2-CG2 4.04Å; V236-Y277 HydrophobicContact CB-CE1 4.29Å; V236-Y277 HydrophobicContact CG1-CD1 4.48Å; V236-Y277 HydrophobicContact CG1-CE1 3.72Å; V236-Y277 HydrophobicContact CG2-CE2 4.28Å
237K93.6Very high90Very high55 Ų5547.5 Ų47.524%0.23926%0.257CS..EExtended strand (participates in β ladder)trans-151146.6-177.7-154.5-170-157.1-178.10111.1N240 T241 L266 E267K237-N240 WeakPolarHBondContact CE-O 3.3Å; K237-T241 CarbonylContact C-O 3.5Å; K237-T241 WeakPolarHBondContact CA-O 3.3Å; K237-T241 WeakPolarHBondContact CG-O 3.48Å; K237-L266 WeakPolarHBondContact O-CA 3.49Å; K237-E267 HydrophobicContact CB-CB 3.76Å; K237-E267 HydrophobicContact CB-CG 4.07Å; K237-E267 HydrophobicContact CD-CB 4.44Å; K237-E267 HydrophobicContact CD-CG 3.89Å; K237-E267 WeakPolarHBondContact CD-OE1 3.08Å; K237-E267 WeakPolarHBondContact CE-OE1 3.46Å; K237-E267 IonicContact NZ-OE1 3.15Å; K237-E267 PolarHBondContact NZ-OE1 3.47Å; K237-E267 PolarHBondContact O-N 3.29Å
238I93.8Very high90.5Very high1 Ų148.3 Ų48.31%0.00525%0.246CC..EExtended strand (participates in β ladder)trans-137.7120.9-177.3-52.1-173.8000109.5I235 N240 T241 L243 I254 F255 A258 V264 L266I235-I238 HydrophobicContact CG2-CG1 4.13Å; I238-N240 PolarHBondContact O-N 3.06Å; I238-N240 VanDerWaalsContact O-N 3.12Å; I238-T241 PolarHBondContact N-O 3.11Å; I238-T241 WeakPolarHBondContact O-CA 3.47Å; I238-T241 VanDerWaalsContact O-CB 3.24Å; I238-T241 WeakPolarHBondContact O-CB 3.33Å; I238-T241 PolarHBondContact O-N 3.2Å; I238-L243 HydrophobicContact CD1-CD1 3.91Å; I238-L243 HydrophobicContact CD1-CD2 3.94Å; I238-L243 HydrophobicContact CD1-CG 4.38Å; I238-L243 HydrophobicContact CG1-CD1 3.9Å; I238-L243 HydrophobicContact CG1-CD2 3.99Å; I238-L243 HydrophobicContact CG1-CG 4.13Å; I238-I254 HydrophobicContact CB-CG2 3.83Å; I238-I254 HydrophobicContact CD1-CG2 4.11Å; I238-I254 HydrophobicContact CG1-CG2 4.36Å; I238-I254 HydrophobicContact CG2-CG2 4.14Å; I238-F255 HydrophobicContact CD1-CB 3.73Å; I238-F255 HydrophobicContact CD1-CD2 3.67Å; I238-F255 HydrophobicContact CD1-CG 4.14Å; I238-A258 HydrophobicContact CG2-CB 3.25Å; I238-V264 HydrophobicContact CG2-CG1 4.49Å; I238-L266 HydrophobicContact CB-CD2 4.01Å; I238-L266 HydrophobicContact CD1-CD2 4.45Å; I238-L266 HydrophobicContact CG1-CD2 3.79Å; I238-L266 HydrophobicContact CG2-CD2 3.73Å
239N88.7Confident90.8Very high42 Ų4250.3 Ų50.323%0.22526%0.262CS..THydrogen-bonded Turntrans4939.1180-79.5-8000113.8T241 V264 R265N239-T241 PolarHBondContact O-N 2.57Å; N239-V264 WeakPolarHBondContact OD1-CA 3.35Å; N239-R265 PolarHBondContact N-O 3.22Å; N239-R265 PolarHBondContact OD1-N 2.99Å
240N85.7Confident90.9Very high110 Ų11054.7 Ų54.759%0.58828%0.283SS*.THydrogen-bonded Turntrans73-9.3-172.9-42.6-71000116.2K237 I238 D242K237-N240 WeakPolarHBondContact CE-O 3.3Å; I238-N240 PolarHBondContact O-N 3.06Å; I238-N240 VanDerWaalsContact O-N 3.12Å; N240-D242 PolarHBondContact O-N 3.21Å
241T90.1Very high91.1Very high64 Ų6449.4 Ų49.439%0.39326%0.258SS..EExtended strand (participates in β ladder)trans-71.1122.7169.4-55.30000110.1K237 I238 N239 I254K237-T241 CarbonylContact C-O 3.5Å; K237-T241 WeakPolarHBondContact CA-O 3.3Å; K237-T241 WeakPolarHBondContact CG-O 3.48Å; I238-T241 PolarHBondContact N-O 3.11Å; I238-T241 WeakPolarHBondContact O-CA 3.47Å; I238-T241 VanDerWaalsContact O-CB 3.24Å; I238-T241 WeakPolarHBondContact O-CB 3.33Å; I238-T241 PolarHBondContact O-N 3.2Å; N239-T241 PolarHBondContact O-N 2.57Å; T241-I254 HydrophobicContact CG2-CD1 3.85Å; T241-I254 HydrophobicContact CG2-CG1 4.27Å; T241-I254 HydrophobicContact CG2-CG2 3.96Å
242D90.6Very high91.3Very high73 Ų7347.8 Ų47.839%0.3925%0.25SS..EExtended strand (participates in β ladder)trans-74.8137.7175.7-155.3-27.1000111.3N240 M244 K246N240-D242 PolarHBondContact O-N 3.21Å; D242-M244 VanDerWaalsContact OD1-CB 3.29Å; D242-M244 WeakPolarHBondContact OD1-CB 3.35Å; D242-M244 WeakPolarHBondContact OD1-CG 3.35Å; D242-M244 PolarHBondContact OD1-N 2.86Å; D242-K246 WeakPolarHBondContact O-CE 3.07Å
243L92.1Very high91.5Very high0 Ų047 Ų470%025%0.246CC..  trans-93.6-6.5175-54-176.4000112.9L212 I235 V236 I238 D245 K246 I254L212-L243 HydrophobicContact CD1-CD1 4.27Å; L212-L243 HydrophobicContact CG-CD1 4.16Å; I235-L243 HydrophobicContact CG2-CD1 4.24Å; V236-L243 WeakPolarHBondContact O-CB 3.36Å; V236-L243 PolarHBondContact O-N 2.88Å; I238-L243 HydrophobicContact CD1-CD1 3.91Å; I238-L243 HydrophobicContact CD1-CD2 3.94Å; I238-L243 HydrophobicContact CD1-CG 4.38Å; I238-L243 HydrophobicContact CG1-CD1 3.9Å; I238-L243 HydrophobicContact CG1-CD2 3.99Å; I238-L243 HydrophobicContact CG1-CG 4.13Å; L243-D245 PolarHBondContact O-N 2.86Å; L243-K246 WeakPolarHBondContact O-CB 3.36Å; L243-K246 WeakPolarHBondContact O-CG 3.47Å; L243-K246 PolarHBondContact O-N 2.7Å; L243-K246 VanDerWaalsContact O-N 3.12Å; L243-I254 HydrophobicContact CD2-CB 4.29Å; L243-I254 HydrophobicContact CD2-CD1 3.94Å; L243-I254 HydrophobicContact CD2-CG2 4.09Å
244M89.8Confident91.4Very high43 Ų4348.1 Ų48.121%0.21225%0.252CS..THydrogen-bonded Turntrans-49131.6169.1-73.3-69.4-57.400111.8L210 D242 K246 L281L210-M244 HydrophobicContact CB-SD 4.14Å; L210-M244 HydrophobicContact CD2-CE 3.59Å; L210-M244 HydrophobicContact CD2-SD 3.39Å; L210-M244 WeakPolarHBondContact CD2-SD 3.49Å; L210-M244 HydrophobicContact CG-SD 4.34Å; D242-M244 VanDerWaalsContact OD1-CB 3.29Å; D242-M244 WeakPolarHBondContact OD1-CB 3.35Å; D242-M244 WeakPolarHBondContact OD1-CG 3.35Å; D242-M244 PolarHBondContact OD1-N 2.86Å; M244-K246 PolarHBondContact O-N 3.27Å; M244-L281 HydrophobicContact CE-CD1 3.9Å; M244-L281 HydrophobicContact CE-CD2 4.29Å; M244-L281 HydrophobicContact SD-CD1 3.58Å; M244-L281 VanDerWaalsContact SD-CD1 3.58Å; M244-L281 HydrophobicContact SD-CD2 4.2Å
245D89.4Confident91.3Very high89 Ų8949.6 Ų49.648%0.47626%0.258SS..THydrogen-bonded Turntrans53.519.9-178.5-70.5-39.8000114.8R208 S209 L243R208-D245 WeakPolarHBondContact CB-OD1 3.33Å; R208-D245 WeakPolarHBondContact CD-OD1 3.45Å; R208-D245 IonicContact NH1-OD1 3.38Å; R208-D245 IonicContact NH1-OD2 2.64Å; R208-D245 PolarHBondContact NH1-OD2 3.1Å; S209-D245 PolarHBondContact O-N 2.82Å; L243-D245 PolarHBondContact O-N 2.86Å
246K90.8Very high91.1Very high77 Ų7756.6 Ų56.634%0.33529%0.285SS..  trans-86.3147.4168.8-58.2-55.8-179.5-171.60111.9S209 D242 L243 M244 Q250 I254S209-K246 WeakPolarHBondContact CB-O 3.43Å; S209-K246 PolarHBondContact OG-O 3.09Å; D242-K246 WeakPolarHBondContact O-CE 3.07Å; L243-K246 WeakPolarHBondContact O-CB 3.36Å; L243-K246 WeakPolarHBondContact O-CG 3.47Å; L243-K246 PolarHBondContact O-N 2.7Å; L243-K246 VanDerWaalsContact O-N 3.12Å; M244-K246 PolarHBondContact O-N 3.27Å; K246-Q250 HydrophobicContact CB-CB 4.24Å; K246-I254 HydrophobicContact CD-CD1 4.42Å; K246-I254 HydrophobicContact CG-CD1 4.17Å
247T90.9Very high90.8Very high76 Ų7663.1 Ų63.147%0.46632%0.315SS..  trans-70.8158.8169.773.60000110.9S249 Q250 S251T247-S249 VanDerWaalsContact C-N 3.32Å; T247-S249 PolarHBondContact O-N 3.37Å; T247-Q250 WeakPolarHBondContact O-CB 3.37Å; T247-Q250 PolarHBondContact O-N 2.77Å; T247-Q250 VanDerWaalsContact O-N 3.11Å; T247-Q250 VanDerWaalsContact OG1-CG 3.26Å; T247-Q250 WeakPolarHBondContact OG1-CG 3.43Å; T247-Q250 PolarHBondContact OG1-N 3.15Å; T247-S251 PolarHBondContact O-N 3.41Å; T247-S251 PolarHBondContact O-OG 3.31Å
248F93.6Very high90.6Very high64 Ų6460.8 Ų60.828%0.28131%0.306SS..Hα-helixtrans-56.7-43.8178.5-177.3-116.2000112.7V198 V199 P200 L212 S251 Q252V198-F248 HydrophobicContact CG2-CE2 4.49Å; V198-F248 WeakPolarHBondContact O-CZ 3.24Å; V199-F248 VanDerWaalsContact C-CE2 3.47Å; P200-F248 HydrophobicContact CB-CB 4.47Å; P200-F248 HydrophobicContact CB-CD2 4.15Å; P200-F248 HydrophobicContact CG-CB 3.97Å; P200-F248 HydrophobicContact CG-CD1 4.48Å; P200-F248 HydrophobicContact CG-CD2 3.67Å; P200-F248 HydrophobicContact CG-CE2 4.25Å; P200-F248 HydrophobicContact CG-CG 3.8Å; L212-F248 HydrophobicContact CD2-CD2 3.57Å; L212-F248 HydrophobicContact CD2-CE2 3.54Å; F248-S251 PolarHBondContact O-N 2.9Å; F248-Q252 HydrophobicContact CE1-CG 4.38Å; F248-Q252 VanDerWaalsContact CE1-NE2 3.35Å; F248-Q252 HydrophobicContact CE2-CG 4.47Å; F248-Q252 HydrophobicContact CZ-CG 4.3Å; F248-Q252 WeakPolarHBondContact O-CG 3.45Å; F248-Q252 PolarHBondContact O-N 2.99Å
249S91.6Very high90.3Very high61 Ų6162 Ų6243%0.42731%0.312SS..Hα-helixtrans-60.8-47.1174.3-169.80000111.4T247 S251 Q252 D253T247-S249 VanDerWaalsContact C-N 3.32Å; T247-S249 PolarHBondContact O-N 3.37Å; S249-S251 VanDerWaalsContact C-N 3.27Å; S249-S251 PolarHBondContact O-N 2.84Å; S249-Q252 CarbonylContact O-C 3.59Å; S249-Q252 WeakPolarHBondContact O-CA 3.39Å; S249-Q252 WeakPolarHBondContact O-CB 3.23Å; S249-Q252 PolarHBondContact O-N 2.82Å; S249-Q252 VanDerWaalsContact O-N 3.08Å; S249-D253 PolarHBondContact O-N 3.05Å; S249-D253 VanDerWaalsContact O-OD2 3.11Å; S249-D253 PolarHBondContact OG-OD2 2.78Å
250Q91.4Very high90.1Very high93 Ų9368.8 Ų68.844%0.43534%0.335SS..Hα-helixtrans-59.3-39.3177.4-72.1167.5-2.900111.8K246 T247 D253 I254K246-Q250 HydrophobicContact CB-CB 4.24Å; T247-Q250 WeakPolarHBondContact O-CB 3.37Å; T247-Q250 PolarHBondContact O-N 2.77Å; T247-Q250 VanDerWaalsContact O-N 3.11Å; T247-Q250 VanDerWaalsContact OG1-CG 3.26Å; T247-Q250 WeakPolarHBondContact OG1-CG 3.43Å; T247-Q250 PolarHBondContact OG1-N 3.15Å; Q250-D253 PolarHBondContact O-N 3.12Å; Q250-I254 WeakPolarHBondContact O-CB 3.44Å; Q250-I254 WeakPolarHBondContact O-CD1 3.11Å; Q250-I254 WeakPolarHBondContact O-CG1 3.45Å; Q250-I254 PolarHBondContact O-N 2.71Å
251S92.5Very high90.1Very high0 Ų065.7 Ų65.70%032%0.322CS..Hα-helixtrans-66.2-38.6175.3-58.40000112.4T247 F248 S249 F255T247-S251 PolarHBondContact O-N 3.41Å; T247-S251 PolarHBondContact O-OG 3.31Å; F248-S251 PolarHBondContact O-N 2.9Å; S249-S251 VanDerWaalsContact C-N 3.27Å; S249-S251 PolarHBondContact O-N 2.84Å; S251-F255 WeakPolarHBondContact O-CB 3.48Å; S251-F255 PolarHBondContact O-N 2.88Å
252Q90.7Very high89.7Confident71 Ų7167.9 Ų67.933%0.33234%0.337SS..Hα-helixtrans-65.6-38171.1-70.5177.3-46.600111.9F248 S249 F255 R256F248-Q252 HydrophobicContact CE1-CG 4.38Å; F248-Q252 VanDerWaalsContact CE1-NE2 3.35Å; F248-Q252 HydrophobicContact CE2-CG 4.47Å; F248-Q252 HydrophobicContact CZ-CG 4.3Å; F248-Q252 WeakPolarHBondContact O-CG 3.45Å; F248-Q252 PolarHBondContact O-N 2.99Å; S249-Q252 CarbonylContact O-C 3.59Å; S249-Q252 WeakPolarHBondContact O-CA 3.39Å; S249-Q252 WeakPolarHBondContact O-CB 3.23Å; S249-Q252 PolarHBondContact O-N 2.82Å; S249-Q252 VanDerWaalsContact O-N 3.08Å; Q252-F255 WeakPolarHBondContact O-CB 3.39Å; Q252-F255 PolarHBondContact O-N 2.87Å; Q252-R256 WeakPolarHBondContact O-CB 3.48Å; Q252-R256 VanDerWaalsContact O-CG 3.31Å; Q252-R256 WeakPolarHBondContact O-CG 3.43Å; Q252-R256 PolarHBondContact O-N 3.12Å
253D90.6Very high89.5Confident66 Ų6668 Ų6835%0.35334%0.337SS..Hα-helixtrans-68.1-42.6176.9-71-41000112.3S249 Q250 F255 R256 Q257S249-D253 PolarHBondContact O-N 3.05Å; S249-D253 VanDerWaalsContact O-OD2 3.11Å; S249-D253 PolarHBondContact OG-OD2 2.78Å; Q250-D253 PolarHBondContact O-N 3.12Å; D253-F255 VanDerWaalsContact C-N 3.29Å; D253-F255 PolarHBondContact O-N 2.82Å; D253-R256 PolarHBondContact O-N 2.81Å; D253-R256 IonicContact OD1-CZ 2.63Å; D253-R256 IonicContact OD1-NE 3.32Å; D253-R256 PolarHBondContact OD1-NE 3.41Å; D253-R256 IonicContact OD1-NH2 3.98Å; D253-R256 PolarHBondContact OD1-NH2 3.47Å; D253-Q257 VanDerWaalsContact O-CB 3.28Å; D253-Q257 WeakPolarHBondContact O-CB 3.28Å; D253-Q257 PolarHBondContact O-N 3.37Å
254I92.6Very high89.4Confident24 Ų2468 Ų6812%0.12334%0.337CS..Hα-helixtrans-60.8-40.5172.2-65.8159.6000110I238 T241 L243 K246 Q250 Q257 A258I238-I254 HydrophobicContact CB-CG2 3.83Å; I238-I254 HydrophobicContact CD1-CG2 4.11Å; I238-I254 HydrophobicContact CG1-CG2 4.36Å; I238-I254 HydrophobicContact CG2-CG2 4.14Å; T241-I254 HydrophobicContact CG2-CD1 3.85Å; T241-I254 HydrophobicContact CG2-CG1 4.27Å; T241-I254 HydrophobicContact CG2-CG2 3.96Å; L243-I254 HydrophobicContact CD2-CB 4.29Å; L243-I254 HydrophobicContact CD2-CD1 3.94Å; L243-I254 HydrophobicContact CD2-CG2 4.09Å; K246-I254 HydrophobicContact CD-CD1 4.42Å; K246-I254 HydrophobicContact CG-CD1 4.17Å; Q250-I254 WeakPolarHBondContact O-CB 3.44Å; Q250-I254 WeakPolarHBondContact O-CD1 3.11Å; Q250-I254 WeakPolarHBondContact O-CG1 3.45Å; Q250-I254 PolarHBondContact O-N 2.71Å; I254-Q257 PolarHBondContact O-N 2.78Å; I254-A258 VanDerWaalsContact O-CB 3.26Å; I254-A258 WeakPolarHBondContact O-CB 3.48Å; I254-A258 PolarHBondContact O-N 3Å
255F91.1Very high89.5Confident31 Ų3170.5 Ų70.514%0.13634%0.344CS..Hα-helixtrans-64.2-48.3174.8-163.3-76.6000111.8L194 I196 L212 I235 I238 S251 Q252 D253 Q257 A258 M259 L266L194-F255 HydrophobicContact CD1-CE1 3.94Å; L194-F255 HydrophobicContact CD1-CZ 3.64Å; I196-F255 HydrophobicContact CD1-CE2 4.23Å; I196-F255 HydrophobicContact CD1-CZ 3.97Å; L212-F255 HydrophobicContact CD1-CD2 4.34Å; I235-F255 HydrophobicContact CD1-CE2 3.92Å; I238-F255 HydrophobicContact CD1-CB 3.73Å; I238-F255 HydrophobicContact CD1-CD2 3.67Å; I238-F255 HydrophobicContact CD1-CG 4.14Å; S251-F255 WeakPolarHBondContact O-CB 3.48Å; S251-F255 PolarHBondContact O-N 2.88Å; Q252-F255 WeakPolarHBondContact O-CB 3.39Å; Q252-F255 PolarHBondContact O-N 2.87Å; D253-F255 VanDerWaalsContact C-N 3.29Å; D253-F255 PolarHBondContact O-N 2.82Å; F255-Q257 VanDerWaalsContact C-N 3.31Å; F255-Q257 PolarHBondContact O-N 3.33Å; F255-A258 PolarHBondContact O-N 3.12Å; F255-M259 HydrophobicContact CD1-CG 3.91Å; F255-M259 HydrophobicContact CE1-CG 3.75Å; F255-M259 HydrophobicContact CE1-SD 4.11Å; F255-M259 WeakPolarHBondContact O-CG 3.19Å; F255-M259 PolarHBondContact O-N 3.17Å; F255-L266 HydrophobicContact CE2-CD1 4.28Å
256R89.4Confident89.7Confident146 Ų14666.3 Ų66.355%0.55132%0.322SS*.Hα-helixtrans-63.6-33.5176.4-72.1-169.1-67.8-166.5-0.2112.6Q252 D253 R260Q252-R256 WeakPolarHBondContact O-CB 3.48Å; Q252-R256 VanDerWaalsContact O-CG 3.31Å; Q252-R256 WeakPolarHBondContact O-CG 3.43Å; Q252-R256 PolarHBondContact O-N 3.12Å; D253-R256 PolarHBondContact O-N 2.81Å; D253-R256 IonicContact OD1-CZ 2.63Å; D253-R256 IonicContact OD1-NE 3.32Å; D253-R256 PolarHBondContact OD1-NE 3.41Å; D253-R256 IonicContact OD1-NH2 3.98Å; D253-R256 PolarHBondContact OD1-NH2 3.47Å; R256-R260 VanDerWaalsContact C-NH1 3.35Å; R256-R260 PolarHBondContact O-NH1 2.78Å
257Q89.1Confident89.8Confident139 Ų13965 Ų6565%0.6532%0.317SS*.Hα-helixtrans-70.9-43.2174.1-171.5-179.928.900110.6D253 I254 F255 R260D253-Q257 VanDerWaalsContact O-CB 3.28Å; D253-Q257 WeakPolarHBondContact O-CB 3.28Å; D253-Q257 PolarHBondContact O-N 3.37Å; I254-Q257 PolarHBondContact O-N 2.78Å; F255-Q257 VanDerWaalsContact C-N 3.31Å; F255-Q257 PolarHBondContact O-N 3.33Å; Q257-R260 PolarHBondContact O-N 3.34Å
258A88.8Confident89.9Confident7 Ų761.3 Ų61.36%0.05829%0.294CS..Hα-helixtrans-63.7-41.6178.300000112.4I238 I254 F255 R260 S261 V264I238-A258 HydrophobicContact CG2-CB 3.25Å; I254-A258 VanDerWaalsContact O-CB 3.26Å; I254-A258 WeakPolarHBondContact O-CB 3.48Å; I254-A258 PolarHBondContact O-N 3Å; F255-A258 PolarHBondContact O-N 3.12Å; A258-R260 PolarHBondContact O-N 3.06Å; A258-S261 VanDerWaalsContact O-CB 3.23Å; A258-S261 WeakPolarHBondContact O-CB 3.41Å; A258-S261 PolarHBondContact O-N 2.77Å; A258-V264 HydrophobicContact CB-CG1 4.05Å; A258-V264 HydrophobicContact CB-CG2 4.46Å; A258-V264 WeakPolarHBondContact O-CG2 3.4Å
259M86.3Confident89.9Confident25 Ų2558.3 Ų58.312%0.12328%0.281CS..THydrogen-bonded Turntrans-59.3-15.5177.1-72.1-58-61.200114.8G189 E190 L194 F255 S261 V264G189-M259 CarbonylContact C-O 3.53Å; G189-M259 VanDerWaalsContact CA-O 3.32Å; G189-M259 WeakPolarHBondContact CA-O 3.37Å; E190-M259 WeakPolarHBondContact O-CE 3.49Å; L194-M259 HydrophobicContact CD1-CE 3.88Å; L194-M259 HydrophobicContact CD1-SD 3.56Å; L194-M259 VanDerWaalsContact CD1-SD 3.56Å; L194-M259 HydrophobicContact CG-CE 4.18Å; L194-M259 HydrophobicContact CG-SD 4.48Å; F255-M259 HydrophobicContact CD1-CG 3.91Å; F255-M259 HydrophobicContact CE1-CG 3.75Å; F255-M259 HydrophobicContact CE1-SD 4.11Å; F255-M259 WeakPolarHBondContact O-CG 3.19Å; F255-M259 PolarHBondContact O-N 3.17Å; M259-S261 VanDerWaalsContact C-N 3.33Å; M259-V264 HydrophobicContact SD-CG2 4.02Å
260R85.2Confident89.8Confident185 Ų18556.6 Ų56.670%0.69827%0.269SS*.THydrogen-bonded Turntrans-84.3-4.1171.6-60.8176.8177.9100.5-18.6113.8R256 Q257 A258R256-R260 VanDerWaalsContact C-NH1 3.35Å; R256-R260 PolarHBondContact O-NH1 2.78Å; Q257-R260 PolarHBondContact O-N 3.34Å; A258-R260 PolarHBondContact O-N 3.06Å
261S85.2Confident89.5Confident45 Ų4555.1 Ų55.132%0.31527%0.269SS..SBendtrans-93.5132.1173.4171.10000109.1G189 A258 M259 L263G189-S261 VanDerWaalsContact CA-O 3.24Å; G189-S261 WeakPolarHBondContact CA-O 3.48Å; A258-S261 VanDerWaalsContact O-CB 3.23Å; A258-S261 WeakPolarHBondContact O-CB 3.41Å; A258-S261 PolarHBondContact O-N 2.77Å; M259-S261 VanDerWaalsContact C-N 3.33Å; S261-L263 WeakPolarHBondContact CB-O 3.18Å; S261-L263 CarbonylContact O-C 3.6Å; S261-L263 PolarHBondContact O-N 2.83Å; S261-L263 PolarHBondContact OG-O 2.9Å
262P81.8Confident89.2Confident110 Ų11059.6 Ų59.671%0.71430%0.301SS*.SBendtrans-58.6-20.4-175.324.5-35.4000113.9Q188 G189Q188-P262 WeakPolarHBondContact CA-O 3.26Å; G189-P262 PolarHBondContact N-O 3.41Å; G189-P262 VanDerWaalsContact N-O 3.07Å
263L86.7Confident89.1Confident75 Ų7558.3 Ų58.339%0.39330%0.296SS..EExtended strand (participates in β ladder)trans-125.8135166.3-166.471.1000110.5E186 S261 R265E186-L263 HydrophobicContact CB-CD1 4.41Å; S261-L263 WeakPolarHBondContact CB-O 3.18Å; S261-L263 CarbonylContact O-C 3.6Å; S261-L263 PolarHBondContact O-N 2.83Å; S261-L263 PolarHBondContact OG-O 2.9Å; L263-R265 HydrophobicContact CD2-CG 4.15Å; L263-R265 HydrophobicContact CG-CG 4.25Å
264V90.6Very high88.9Confident1 Ų158 Ų581%0.00629%0.29CS..EExtended strand (participates in β ladder)trans-119.2119.7176.2-1770000108.9E186 I187 I238 N239 A258 M259 L266E186-V264 CarbonylContact C-O 3.59Å; E186-V264 WeakPolarHBondContact CA-O 3.47Å; I187-V264 HydrophobicContact CB-CB 4.28Å; I187-V264 PolarHBondContact N-O 2.93Å; I187-V264 PolarHBondContact O-N 2.93Å; I238-V264 HydrophobicContact CG2-CG1 4.49Å; N239-V264 WeakPolarHBondContact OD1-CA 3.35Å; A258-V264 HydrophobicContact CB-CG1 4.05Å; A258-V264 HydrophobicContact CB-CG2 4.46Å; A258-V264 WeakPolarHBondContact O-CG2 3.4Å; M259-V264 HydrophobicContact SD-CG2 4.02Å; V264-L266 HydrophobicContact CG1-CD2 3.74Å; V264-L266 HydrophobicContact CG1-CG 4.09Å
265R91Very high88.5Confident96 Ų9663 Ų6336%0.36231%0.313SS..EExtended strand (participates in β ladder)trans-112.6113.1-178.2-53-176.571.5-111.8-3.7109.1E186 N239 L263E186-R265 HydrophobicContact CG-CG 4.16Å; E186-R265 IonicContact OE1-CZ 3.69Å; E186-R265 IonicContact OE1-NE 2.71Å; E186-R265 PolarHBondContact OE1-NE 3.33Å; E186-R265 IonicContact OE1-NH2 3.15Å; E186-R265 PolarHBondContact OE1-NH2 3.19Å; N239-R265 PolarHBondContact N-O 3.22Å; N239-R265 PolarHBondContact OD1-N 2.99Å; L263-R265 HydrophobicContact CD2-CG 4.15Å; L263-R265 HydrophobicContact CG-CG 4.25Å
266L93.3Very high88.2Confident0 Ų069.5 Ų69.50%034%0.336CS..EExtended strand (participates in β ladder)trans-108.4135.3-177.1-55.3179.2000109.9T184 V185 I187 F229 I235 K237 I238 F255 V264 V268T184-L266 CarbonylContact C-O 3.5Å; T184-L266 VanDerWaalsContact CA-O 3.3Å; T184-L266 WeakPolarHBondContact CA-O 3.42Å; V185-L266 HydrophobicContact CB-CB 4.45Å; V185-L266 PolarHBondContact N-O 3.43Å; V185-L266 PolarHBondContact O-N 2.8Å; I187-L266 HydrophobicContact CD1-CD1 3.55Å; I187-L266 HydrophobicContact CD1-CG 4.38Å; I187-L266 HydrophobicContact CG1-CD1 4.49Å; F229-L266 HydrophobicContact CE1-CD1 3.67Å; F229-L266 HydrophobicContact CZ-CD1 3.37Å; I235-L266 HydrophobicContact CD1-CD1 4.28Å; I235-L266 HydrophobicContact CG2-CB 4.34Å; I235-L266 HydrophobicContact CG2-CD2 4.26Å; K237-L266 WeakPolarHBondContact O-CA 3.49Å; I238-L266 HydrophobicContact CB-CD2 4.01Å; I238-L266 HydrophobicContact CD1-CD2 4.45Å; I238-L266 HydrophobicContact CG1-CD2 3.79Å; I238-L266 HydrophobicContact CG2-CD2 3.73Å; F255-L266 HydrophobicContact CE2-CD1 4.28Å; V264-L266 HydrophobicContact CG1-CD2 3.74Å; V264-L266 HydrophobicContact CG1-CG 4.09Å; L266-V268 HydrophobicContact CB-CG2 4.09Å
267E93.2Very high88.1Confident49 Ų4963.9 Ų63.923%0.22932%0.315CS..EExtended strand (participates in β ladder)trans-92.9122.1162.5-63.7-168.4-14200109T182 V236 K237T182-E267 HydrophobicContact CG2-CB 3.98Å; T182-E267 PolarHBondContact OG1-OE2 3.06Å; V236-E267 HydrophobicContact CG2-CB 4.12Å; V236-E267 WeakPolarHBondContact CG2-O 3.43Å; V236-E267 PolarHBondContact N-O 3.15Å; K237-E267 HydrophobicContact CB-CB 3.76Å; K237-E267 HydrophobicContact CB-CG 4.07Å; K237-E267 HydrophobicContact CD-CB 4.44Å; K237-E267 HydrophobicContact CD-CG 3.89Å; K237-E267 WeakPolarHBondContact CD-OE1 3.08Å; K237-E267 WeakPolarHBondContact CE-OE1 3.46Å; K237-E267 IonicContact NZ-OE1 3.15Å; K237-E267 PolarHBondContact NZ-OE1 3.47Å; K237-E267 PolarHBondContact O-N 3.29Å
268V93.7Very high88.1Confident0 Ų057.5 Ų57.50%029%0.285CS..EExtended strand (participates in β ladder)trans-120.2123.4-174.1-176.70000109.2T182 R183 V185 F229 E233 C234 I235 L266T182-V268 CarbonylContact C-O 3.29Å; T182-V268 WeakPolarHBondContact CA-O 3.43Å; R183-V268 HydrophobicContact CG-CB 4.23Å; R183-V268 PolarHBondContact N-O 3.01Å; R183-V268 PolarHBondContact O-N 2.84Å; V185-V268 HydrophobicContact CB-CG2 4.19Å; V185-V268 HydrophobicContact CG2-CB 4.23Å; V185-V268 HydrophobicContact CG2-CG2 3.72Å; F229-V268 HydrophobicContact CD1-CG2 4.34Å; F229-V268 HydrophobicContact CE1-CG2 4.06Å; E233-V268 HydrophobicContact CB-CG1 3.81Å; C234-V268 CarbonylContact O-C 3.58Å; C234-V268 WeakPolarHBondContact O-CA 3.46Å; I235-V268 HydrophobicContact CG1-CG2 4.32Å; L266-V268 HydrophobicContact CB-CG2 4.09Å
269V93.2Very high87.8Confident0 Ų062.2 Ų62.20%031%0.305CS..EExtended strand (participates in β ladder)trans-86113.2169.5-174.50000108.3T182 C234 V236 N273 Y277T182-V269 HydrophobicContact CG2-CG2 3.59Å; C234-V269 HydrophobicContact CB-CB 4.22Å; C234-V269 PolarHBondContact N-O 2.82Å; C234-V269 PolarHBondContact O-N 3.26Å; V236-V269 HydrophobicContact CG1-CG2 3.69Å; V236-V269 HydrophobicContact CG2-CG2 4.04Å; V269-N273 HydrophobicContact CG1-CB 3.94Å; V269-Y277 HydrophobicContact CG1-CG 4.19Å; V269-Y277 HydrophobicContact CG2-CD1 3.83Å; V269-Y277 HydrophobicContact CG2-CD2 3.62Å; V269-Y277 HydrophobicContact CG2-CE1 4.12Å; V269-Y277 HydrophobicContact CG2-CE2 3.94Å; V269-Y277 HydrophobicContact CG2-CG 3.56Å
270S89.8Confident87.6Confident25 Ų2562.7 Ų62.718%0.17531%0.311CS..  trans-65.6147.7172.4-64.60000111.2R183 E233 S272 N273 R274R183-S270 PolarHBondContact NH1-OG 2.65Å; E233-S270 VanDerWaalsContact OE1-CA 3.29Å; E233-S270 WeakPolarHBondContact OE1-CA 3.42Å; E233-S270 VanDerWaalsContact OE1-CB 3.22Å; E233-S270 WeakPolarHBondContact OE1-CB 3.36Å; E233-S270 PolarHBondContact OE1-OG 2.88Å; S270-S272 PolarHBondContact O-N 2.77Å; S270-S272 VanDerWaalsContact O-N 3.09Å; S270-N273 WeakPolarHBondContact O-CA 3.42Å; S270-N273 PolarHBondContact O-N 2.96Å; S270-R274 PolarHBondContact O-N 2.89Å
271S85.9Confident87.3Confident62 Ų6255.3 Ų55.343%0.43429%0.285SS..G310 helixtrans-46.8-43.8-174.155.80000113.4D232 N273 R274D232-S271 WeakPolarHBondContact O-CB 3.35Å; S271-N273 VanDerWaalsContact C-N 3.28Å; S271-N273 PolarHBondContact O-N 3.34Å; S271-R274 WeakPolarHBondContact O-CB 3.44Å; S271-R274 PolarHBondContact O-N 3.15Å
272S85.3Confident86.4Confident95 Ų9556.6 Ų56.666%0.66429%0.287SS*.G310 helixtrans-65.5-20.917859.90000115.6S270S270-S272 PolarHBondContact O-N 2.77Å; S270-S272 VanDerWaalsContact O-N 3.09Å
273N88.4Confident85.3Confident43 Ų4354.8 Ų54.823%0.2328%0.277CS..G310 helixtrans-97.2-12.8176.1-83.5-12.3000113.3L181 V269 S270 S271 E275 R276 Y277L181-N273 HydrophobicContact CD2-CB 4.43Å; L181-N273 PolarHBondContact O-ND2 3.11Å; V269-N273 HydrophobicContact CG1-CB 3.94Å; S270-N273 WeakPolarHBondContact O-CA 3.42Å; S270-N273 PolarHBondContact O-N 2.96Å; S271-N273 VanDerWaalsContact C-N 3.28Å; S271-N273 PolarHBondContact O-N 3.34Å; N273-E275 PolarHBondContact O-N 3.01Å; N273-R276 CarbonylContact O-C 3.57Å; N273-R276 WeakPolarHBondContact O-CA 3.5Å; N273-R276 WeakPolarHBondContact O-CB 3.34Å; N273-R276 PolarHBondContact O-N 2.85Å; N273-Y277 PolarHBondContact O-N 2.78Å
274R86.9Confident83.9Confident60 Ų6055.8 Ų55.823%0.22628%0.28CS..Hα-helixtrans-47.8-56.7-174-174.9179.9172.5156.83.3113Y201 S270 S271 R276 Y277 E278Y201-R274 HydrophobicContact CE2-CG 4.22Å; S270-R274 PolarHBondContact O-N 2.89Å; S271-R274 WeakPolarHBondContact O-CB 3.44Å; S271-R274 PolarHBondContact O-N 3.15Å; R274-R276 PolarHBondContact O-N 2.87Å; R274-Y277 PolarHBondContact O-N 3.07Å; R274-E278 IonicContact NE-OE1 3.48Å; R274-E278 PolarHBondContact O-N 2.82Å
275E84.2Confident81.9Confident130 Ų13061.4 Ų61.461%0.60731%0.309SS*.Hα-helixtrans-57.4-35.2177.4-82.5-164.6-133.200113.8N273 K279N273-E275 PolarHBondContact O-N 3.01Å; E275-K279 WeakPolarHBondContact O-CB 3.32Å; E275-K279 WeakPolarHBondContact O-CD 3.41Å; E275-K279 WeakPolarHBondContact O-CE 3.4Å; E275-K279 WeakPolarHBondContact O-CG 3.43Å; E275-K279 PolarHBondContact O-N 3.47Å; E275-K279 IonicContact OE2-NZ 2.77Å; E275-K279 PolarHBondContact OE2-NZ 3.16Å
276R84.9Confident79.5Confident166 Ų16661.9 Ų61.963%0.62633%0.326SS*.Hα-helixtrans-76.2-35.5-178.6-59.5-178.8-173-1373.3110.9L181 N273 R274 S280L181-R276 HydrophobicContact CD2-CB 3.54Å; N273-R276 CarbonylContact O-C 3.57Å; N273-R276 WeakPolarHBondContact O-CA 3.5Å; N273-R276 WeakPolarHBondContact O-CB 3.34Å; N273-R276 PolarHBondContact O-N 2.85Å; R274-R276 PolarHBondContact O-N 2.87Å; R276-S280 VanDerWaalsContact O-CB 3.26Å; R276-S280 WeakPolarHBondContact O-CB 3.45Å; R276-S280 PolarHBondContact O-N 3.31Å
277Y86.6Confident77Confident28 Ų2866.4 Ų66.411%0.1135%0.353CS..Hα-helixtrans-64.7-49.4173.1-176.5-95.4000111.4L181 T182 V236 V269 N273 R274 K279 S280 L281L181-Y277 HydrophobicContact CB-CD2 4.08Å; T182-Y277 HydrophobicContact CG2-CD2 4.28Å; T182-Y277 HydrophobicContact CG2-CE2 3.94Å; V236-Y277 HydrophobicContact CB-CE1 4.29Å; V236-Y277 HydrophobicContact CG1-CD1 4.48Å; V236-Y277 HydrophobicContact CG1-CE1 3.72Å; V236-Y277 HydrophobicContact CG2-CE2 4.28Å; V269-Y277 HydrophobicContact CG1-CG 4.19Å; V269-Y277 HydrophobicContact CG2-CD1 3.83Å; V269-Y277 HydrophobicContact CG2-CD2 3.62Å; V269-Y277 HydrophobicContact CG2-CE1 4.12Å; V269-Y277 HydrophobicContact CG2-CE2 3.94Å; V269-Y277 HydrophobicContact CG2-CG 3.56Å; N273-Y277 PolarHBondContact O-N 2.78Å; R274-Y277 PolarHBondContact O-N 3.07Å; Y277-K279 VanDerWaalsContact C-N 3.3Å; Y277-K279 PolarHBondContact O-N 3.44Å; Y277-S280 WeakPolarHBondContact O-CB 3.43Å; Y277-S280 PolarHBondContact O-N 2.89Å; Y277-L281 HydrophobicContact CD1-CD1 3.92Å; Y277-L281 HydrophobicContact CD1-CG 4.43Å; Y277-L281 HydrophobicContact CE1-CD1 3.47Å; Y277-L281 VanDerWaalsContact CE1-CD1 3.47Å; Y277-L281 HydrophobicContact CE1-CD2 4.48Å; Y277-L281 HydrophobicContact CE1-CG 4.1Å; Y277-L281 PolarHBondContact O-N 3.21Å
278E88.9Confident74.1Confident5 Ų570.1 Ų70.12%0.02338%0.375CS..Hα-helixtrans-55.8-43.2174.9-68.2-154-131.700112.6Y201 S203 S204 L205 L210 R274Y201-E278 WeakPolarHBondContact OH-CG 3.39Å; S203-E278 WeakPolarHBondContact CA-OE2 3.18Å; S203-E278 WeakPolarHBondContact CB-OE2 3.44Å; S203-E278 PolarHBondContact OG-OE2 3.42Å; S204-E278 WeakPolarHBondContact CB-OE1 3.09Å; S204-E278 PolarHBondContact N-OE1 2.93Å; S204-E278 PolarHBondContact N-OE2 2.94Å; S204-E278 PolarHBondContact OG-OE1 3.1Å; L205-E278 HydrophobicContact CD1-CB 4.12Å; L205-E278 PolarHBondContact N-OE2 3.3Å; L210-E278 HydrophobicContact CD1-CG 3.84Å; R274-E278 IonicContact NE-OE1 3.48Å; R274-E278 PolarHBondContact O-N 2.82Å
279K82.6Confident71.1Confident107 Ų10775.3 Ų75.347%0.46541%0.411SS..Hα-helixtrans-70.1-32.4177.7-67.3163.7-159.3173.40112.3L205 E275 Y277 S283L205-K279 HydrophobicContact CD1-CG 4.05Å; E275-K279 WeakPolarHBondContact O-CB 3.32Å; E275-K279 WeakPolarHBondContact O-CD 3.41Å; E275-K279 WeakPolarHBondContact O-CE 3.4Å; E275-K279 WeakPolarHBondContact O-CG 3.43Å; E275-K279 PolarHBondContact O-N 3.47Å; E275-K279 IonicContact OE2-NZ 2.77Å; E275-K279 PolarHBondContact OE2-NZ 3.16Å; Y277-K279 VanDerWaalsContact C-N 3.3Å; Y277-K279 PolarHBondContact O-N 3.44Å; K279-S283 PolarHBondContact O-N 2.92Å; K279-S283 VanDerWaalsContact O-N 3.11Å
280S83Confident68.1Low35 Ų3581.7 Ų81.725%0.24545%0.45CS..Hα-helixtrans-67.7-40.8177.3-179.20000112.4L181 R276 Y277 I282 S283 Q284L181-S280 VanDerWaalsContact CD1-CB 3.5Å; R276-S280 VanDerWaalsContact O-CB 3.26Å; R276-S280 WeakPolarHBondContact O-CB 3.45Å; R276-S280 PolarHBondContact O-N 3.31Å; Y277-S280 WeakPolarHBondContact O-CB 3.43Å; Y277-S280 PolarHBondContact O-N 2.89Å; S280-I282 VanDerWaalsContact C-N 3.32Å; S280-I282 PolarHBondContact O-N 3.2Å; S280-S283 WeakPolarHBondContact O-CB 3.48Å; S280-S283 PolarHBondContact O-N 2.87Å; S280-S283 VanDerWaalsContact O-N 3.13Å; S280-Q284 WeakPolarHBondContact O-CG 3.49Å; S280-Q284 PolarHBondContact O-N 2.98Å; S280-Q284 PolarHBondContact O-NE2 3.46Å; S280-Q284 PolarHBondContact OG-NE2 2.75Å
281L77.8Confident65.3Low29 Ų2985.1 Ų85.115%0.15248%0.481CS..Hα-helixtrans-60-42.3176.8-69.7171.6000111.9L210 M244 Y277 Q284 L285L210-L281 HydrophobicContact CD1-CD1 4.32Å; L210-L281 HydrophobicContact CD2-CD1 3.86Å; M244-L281 HydrophobicContact CE-CD1 3.9Å; M244-L281 HydrophobicContact CE-CD2 4.29Å; M244-L281 HydrophobicContact SD-CD1 3.58Å; M244-L281 VanDerWaalsContact SD-CD1 3.58Å; M244-L281 HydrophobicContact SD-CD2 4.2Å; Y277-L281 HydrophobicContact CD1-CD1 3.92Å; Y277-L281 HydrophobicContact CD1-CG 4.43Å; Y277-L281 HydrophobicContact CE1-CD1 3.47Å; Y277-L281 VanDerWaalsContact CE1-CD1 3.47Å; Y277-L281 HydrophobicContact CE1-CD2 4.48Å; Y277-L281 HydrophobicContact CE1-CG 4.1Å; Y277-L281 PolarHBondContact O-N 3.21Å; L281-Q284 PolarHBondContact O-N 3.48Å; L281-L285 PolarHBondContact O-N 2.95Å
282I67.7Low63.5Low72 Ų7287.2 Ų87.237%0.36949%0.493SS..Hα-helixtrans-63.4-43.3174.1-61.3171.5000110.6L205 S280 Q284 L285 C286L205-I282 HydrophobicContact CB-CD1 3.9Å; L205-I282 HydrophobicContact CD1-CD1 3.51Å; L205-I282 HydrophobicContact CG-CD1 4.34Å; S280-I282 VanDerWaalsContact C-N 3.32Å; S280-I282 PolarHBondContact O-N 3.2Å; I282-Q284 PolarHBondContact O-N 3.45Å; I282-L285 PolarHBondContact O-N 3.35Å; I282-C286 PolarHBondContact O-N 2.67Å; I282-C286 PolarHBondContact O-SG 3.39Å
283S56.7Low60.7Low72 Ų7289.9 Ų89.950%0.50350%0.499SS..Hα-helixtrans-62.3-26176.8-168.90000113.8K279 S280 V287K279-S283 PolarHBondContact O-N 2.92Å; K279-S283 VanDerWaalsContact O-N 3.11Å; S280-S283 WeakPolarHBondContact O-CB 3.48Å; S280-S283 PolarHBondContact O-N 2.87Å; S280-S283 VanDerWaalsContact O-N 3.13Å; S283-V287 WeakPolarHBondContact O-CG2 3.43Å
284Q57.7Low57.8Low96 Ų9694 Ų9445%0.44953%0.532SS..Hα-helixtrans-79-35.7175.7-71.9172.668.800112.1S280 L281 I282 C286 V287 N288S280-Q284 WeakPolarHBondContact O-CG 3.49Å; S280-Q284 PolarHBondContact O-N 2.98Å; S280-Q284 PolarHBondContact O-NE2 3.46Å; S280-Q284 PolarHBondContact OG-NE2 2.75Å; L281-Q284 PolarHBondContact O-N 3.48Å; I282-Q284 PolarHBondContact O-N 3.45Å; Q284-C286 VanDerWaalsContact C-N 3.26Å; Q284-C286 PolarHBondContact O-N 2.9Å; Q284-V287 PolarHBondContact O-N 2.86Å; Q284-V287 VanDerWaalsContact O-N 3.13Å; Q284-N288 PolarHBondContact O-N 2.83Å; Q284-N288 VanDerWaalsContact O-N 3.11Å
285L49.3Very low54.9Low119 Ų11996.5 Ų96.562%0.62356%0.558SS**Hα-helixtrans-61.4-34.5173.3-69170000112.1L281 I282 V287L281-L285 PolarHBondContact O-N 2.95Å; I282-L285 PolarHBondContact O-N 3.35Å; L285-V287 VanDerWaalsContact C-N 3.25Å; L285-V287 PolarHBondContact O-N 2.83Å
286C41Very low52.7Low106 Ų10696.1 Ų96.172%0.71657%0.567SS**THydrogen-bonded Turntrans-70.7-12.6175.9-630000115I282 Q284I282-C286 PolarHBondContact O-N 2.67Å; I282-C286 PolarHBondContact O-SG 3.39Å; Q284-C286 VanDerWaalsContact C-N 3.26Å; Q284-C286 PolarHBondContact O-N 2.9Å
287V41.2Very low49.9Very low95 Ų9599.7 Ų99.758%0.57658%0.58SS**THydrogen-bonded Turntrans-113.2-32.6-173.2177.40000112.5S283 Q284 L285 S289S283-V287 WeakPolarHBondContact O-CG2 3.43Å; Q284-V287 PolarHBondContact O-N 2.86Å; Q284-V287 VanDerWaalsContact O-N 3.13Å; L285-V287 VanDerWaalsContact C-N 3.25Å; L285-V287 PolarHBondContact O-N 2.83Å; V287-S289 PolarHBondContact O-N 3.04Å
288N32.2Very low47.1Very low127 Ų127104.5 Ų104.568%0.67961%0.612SS**  trans-83.939.6-173-69.9-10.1000114.6Q284Q284-N288 PolarHBondContact O-N 2.83Å; Q284-N288 VanDerWaalsContact O-N 3.11Å
289S29.1Very low44.1Very low109 Ų109109.7 Ų109.776%0.76265%0.645SS**SBendtrans-110.827.8174-68.30000113.9V287V287-S289 PolarHBondContact O-N 3.04Å
290T31Very low41.4Very low134 Ų134113.6 Ų113.682%0.82266%0.662SS**  trans-147.5127.5168.927.80000111.8
291A31.8Very low38.8Very low98 Ų98116.6 Ų116.681%0.8169%0.689SS**  trans-157.7162.4173.300000108.3
292P46.8Very low36.3Very low106 Ų106125 Ų12569%0.68872%0.724SS**  cis-135-169.914.441.9-23.9000116
293N26.6Very low34.3Very low150 Ų150128.5 Ų128.580%0.80274%0.743SS**  trans79.398.8159-60.4-17.7000120.4
294S28.1Very low34.1Very low130 Ų130131 Ų13191%0.90976%0.758SS**  -172166.2116.740.50000112.4
295S25.8Very low33.1Very low112 Ų112131.7 Ų131.778%0.78377%0.771SS**  trans-91.7146.2-166.3-179.60000114
296P38.2Very low32.6Very low122 Ų122131.5 Ų131.579%0.79278%0.776SS**  trans-80.9131.8-179.631.8-34.9000113.6
297R25.5Very low32.9Very low241 Ų241131.7 Ų131.791%0.90978%0.777SS**  trans-140.1113.1164.6-98.6-170.9172.7-169-1.5114
298V28.2Very low32.3Very low129 Ų129132.3 Ų132.378%0.78278%0.78SS**  trans-6.3128.5154.4-1510000117.7
299T26.1Very low32.2Very low114 Ų114135.6 Ų135.670%0.69979%0.789SS**  168.2143.811136.10000116.9
300K25.9Very low32.3Very low189 Ų189134.9 Ų134.982%0.82279%0.789SS**  trans63.695140.7-66.6168.4-177.4178.20122.2
301A27.3Very low32.4Very low98 Ų98137.8 Ų137.881%0.8179%0.79SS**  15.5137.5123.400000122.7
302K25.7Very low32.4Very low207 Ų207139.1 Ų139.190%0.979%0.791SS**  -167.1141.7126.5-130.1-179.1179.5-179.30115.2
303D26Very low31.4Very low145 Ų145139.7 Ų139.778%0.77579%0.792SS**  trans-96.2179.2161.6-49.1-92000111.3
304P51.8Low31.3Very low123 Ų123142 Ų14280%0.79980%0.795SS**  cis-111-106.9-24.833.6-12.3000109.2
305P37.3Very low31.3Very low112 Ų112144.6 Ų144.673%0.72779%0.79SS**  cis-121.4-177.8-19.742.5-26.2000114.9
306P40.1Very low32.4Very low114 Ų114145 Ų14574%0.7479%0.79SS**  trans-112.8-159.6179.344.9-35.3000112.5
307P45.8Very low32.3Very low111 Ų111143.6 Ų143.672%0.72178%0.781SS**  cis-119.1-163.1-13.522.84.2000111.7
308V29.8Very low32.3Very low107 Ų107140.1 Ų140.165%0.64878%0.775SS**  -173.4148.354.9-86.70000114.6
309K29Very low32.2Very low197 Ų197140.1 Ų140.186%0.85777%0.771SS**  trans61.4142.8140.3-68169-172.9179.10119.8
310A31Very low32.3Very low93 Ų93139 Ų13977%0.76977%0.768SS**  cis-158.1165.7-6.800000112
311K33.6Very low32.2Very low195 Ų195134 Ų13485%0.84876%0.762SS**  trans-83.4159.5158.5-62.3178.6179.91780109.4
312P32.2Very low33.3Very low127 Ų127134.2 Ų134.283%0.82575%0.754SS**  -140.1-173.8106.539.2-27.3000114.1
313V25.7Very low33.4Very low118 Ų118134.9 Ų134.972%0.71575%0.751SS**  trans-117.7174.6178.3-176.60000108.4
314F23.6Very low33.5Very low197 Ų197133.9 Ų133.986%0.86475%0.745SS**  trans95.4134.3166.1-75.5-87.5000120.2
315K28.3Very low32.4Very low186 Ų186133.3 Ų133.381%0.80974%0.739SS**  trans-98.8-176.9149.6-41.2173.3176.8178.80107.7
316P49.1Very low31.9Very low119 Ų119135.4 Ų135.477%0.77374%0.739SS**  cis-112.4-130.7-20.834.6-13.3000108.3
317P35.6Very low31.2Very low94 Ų94138.3 Ų138.361%0.6174%0.743SS**  cis-136.7178.130.843.5-23.6000116.8
318E25.4Very low30Very low167 Ų167139 Ų13978%0.7875%0.746SS**  trans42.9156.3136-70.2179.393.400123.2
319N26.5Very low30.7Very low130 Ų130139 Ų13970%0.69575%0.748SS**  cis-158.1178.1-8.3-131.8-50.5000106.6
320S28Very low30.5Very low91 Ų91136.3 Ų136.364%0.63674%0.741SS**  cis-154.1160.5-0.186.30000108.1
321A24.4Very low30.5Very low84 Ų84138.7 Ų138.769%0.69474%0.74SS**  67.6160.377.900000115.7
322P49.8Very low30.1Very low101 Ų101138 Ų13866%0.65674%0.74SS**  cis-144.8-178.49.741.4-20.2000118.4
323R28.1Very low29.8Very low221 Ų221136.4 Ų136.483%0.83474%0.738SS**  trans82.3144.5157.5-56-170.4178.8-137-7.7118.3
324L28Very low30Very low125 Ų125133.1 Ų133.165%0.65472%0.72SS**  cis-149.3140.7-5.2-137.283.9000107.3
325V28.7Very low30.9Very low111 Ų111127.5 Ų127.567%0.67370%0.703SS**  67142.5103.4156.80000116.2
326E26.7Very low31.4Very low155 Ų155124.7 Ų124.772%0.72469%0.691SS**  cis-172.9-170.2-13.4-165168.4136.200108.4
327E25.6Very low30.6Very low175 Ų175122 Ų12282%0.81867%0.668SS**  trans69109.4160.6-58.4-155.4105.400120.5
328T21.1Very low30.5Very low127 Ų127127 Ų12778%0.77968%0.675SS**  trans-75.1-172.1153.354.40000110.6
329P44.3Very low30.7Very low106 Ų106122.7 Ų122.769%0.68868%0.675SS**  cis-133.4-162.3-13.719.47.5000113.6
330I24.5Very low30.9Very low140 Ų140124 Ų12472%0.71868%0.682SS**  trans115.3106.6142.7-59.5-173.2000118.7
331L31.8Very low30.9Very low143 Ų143124.4 Ų124.475%0.74969%0.685SS**  trans73.2118.6147.9-67.7168.3000124.6
332E24.1Very low31.9Very low181 Ų181126.3 Ų126.385%0.84669%0.69SS**  trans80.3161.3133.1-80.1-176.7170.500123.7
333A26.3Very low31.2Very low94 Ų94128.5 Ų128.578%0.77770%0.696SS**  trans72109.6178.500000119.4
334S30.4Very low31.5Very low49 Ų49126.3 Ų126.334%0.34370%0.695SS.*  trans-49150.6137.240.40000111.4D1103S334-D1103 WeakPolarHBondContact CB-OD2 3.38Å
335P42.6Very low31.6Very low79 Ų79131.7 Ų131.751%0.51371%0.706SS.*  cis-114.6170.535.138.3-31.3000118.2D1103 A1105P335-D1103 HydrophobicContact CB-CB 3.64Å; P335-D1103 WeakPolarHBondContact CB-O 3.28Å; P335-A1105 HydrophobicContact CG-CB 4.31Å
336K37.7Very low31.7Very low126 Ų126136 Ų13655%0.54872%0.716SS.*  trans-154.8161.6-163.8-41.4175.5-157.579.50111.1M1102 D1103K336-M1102 CarbonylContact O-C 3.39Å; K336-D1103 IonicContact NZ-OD2 3.51Å; K336-D1103 PolarHBondContact NZ-OD2 3.27Å
337E34.2Very low32.1Very low64 Ų64133.5 Ų133.530%0.29972%0.715SS.*  trans179.3-117.3144.4-168.363.1-6600115.6P1101 M1102E337-P1101 HydrophobicContact CB-CB 4.37Å; E337-P1101 HydrophobicContact CG-CB 3.77Å; E337-P1101 WeakPolarHBondContact OE2-CA 3.19Å; E337-M1102 HydrophobicContact CB-CB 4.26Å; E337-M1102 HydrophobicContact CG-CB 4.38Å; E337-M1102 PolarHBondContact OE2-N 2.91Å
338R31.8Very low32.9Very low199 Ų199131.4 Ų131.475%0.75172%0.717SS**  trans-150.7156.3-160.2-77.7166.2-106.8-167-2.2112.1
339G29.2Very low33.2Very low76 Ų76129.3 Ų129.378%0.78471%0.712SS**  cis171153.60.400000110.8
340D32.1Very low32.6Very low157 Ų157131.6 Ų131.684%0.8472%0.718SS**  trans-127.1148.5-136.1-145.6-20.5000118.8
341S26.7Very low32.8Very low100 Ų100130.2 Ų130.270%0.69972%0.721SS**  trans66.3173.3152.985.30000120.1
342P45.3Very low32.6Very low123 Ų123128 Ų12880%0.79972%0.718SS**  cis-127.2179.2-12.338.7-22.6000115
343L35Very low33Very low148 Ų148126.5 Ų126.578%0.77571%0.714SS**  trans-109.1155.9-177.8-74.4168000114.9
344H36.1Very low33.6Very low175 Ų175129.4 Ų129.481%0.8172%0.722SS**  143.1144.7126.8-74113.9000115.2
345R30.6Very low33.9Very low238 Ų238132 Ų13290%0.89874%0.74SS**  trans154.4133.2146.8-83.8-85.3-179.2178.40111.7
346K30.3Very low33.3Very low202 Ų202135.1 Ų135.188%0.87875%0.752SS**  trans151.3144164.8-88.4153.4-1741770107.8
347S35.1Very low33.7Very low102 Ų102137.9 Ų137.971%0.71376%0.764SS**  cis-154.5179.6-17.7-70.10000107.4
348P40.9Very low34.5Very low130 Ų130146.1 Ų146.184%0.84479%0.793SS**  -146.6-177.390.937.4-19.1000114.7
349A27.4Very low35.5Very low83 Ų83139.9 Ų139.969%0.68679%0.79SS**  trans-105.2-179.1173.700000110.1
350L32.1Very low37.4Very low155 Ų155137.2 Ų137.281%0.81276%0.763SS**  cis-161158.747-75.6165.1000112.7
351S29.9Very low40Very low111 Ų111136.5 Ų136.578%0.77675%0.748SS**  trans34.1152.7132.7-53.30000121.9
352S27.8Very low42.9Very low97 Ų97140.2 Ų140.268%0.67875%0.747SS**  cis-177.6153.7-8.2177.60000105.2
353L32.7Very low45.1Very low149 Ų149136.8 Ų136.878%0.7872%0.721SS**  172.1121.495.4-88.1167000111.1
354V37.2Very low47.9Very low154 Ų154137.2 Ų137.293%0.93371%0.713SS**  -164.1133.4128.6-98.70000107.4
355S36.9Very low50.6Low103 Ų103128.9 Ų128.972%0.7267%0.674SS**  trans-144126.9-166.858.90000113
356N30.2Very low53.6Low145 Ų145120.2 Ų120.278%0.77565%0.646SS**  trans-149.989.2153.6-126.7-18.4000113.9
357K46.7Very low56.6Low184 Ų184110.7 Ų110.780%0.860%0.604SS**SBendtrans60.4128.3145.7-64.3174.8179.1175.20120.4
358R50.4Low59.2Low238 Ų238112.5 Ų112.590%0.89860%0.599SS**  trans69.464.9174.3-48.3-172.2-152.9-103.15.6115.2
359G52.9Low61.6Low67 Ų67107.5 Ų107.569%0.69156%0.564SS**  trans-114.313317100000111.8
360G69.8Low64.3Low20 Ų20104.8 Ų104.821%0.20655%0.545CS..PPolyproline II helixtrans-79.3162.9178.100000114.4R362 L448 R449G360-R362 PolarHBondContact O-N 2.85Å; G360-L448 WeakPolarHBondContact O-CD1 3.28Å; G360-R449 CarbonylContact C-O 3.56Å; G360-R449 VanDerWaalsContact C-O 3.29Å; G360-R449 WeakPolarHBondContact CA-O 3.26Å
361R85.5Confident66.7Low142 Ų142101.4 Ų101.454%0.53653%0.534SS..EExtended strand (participates in β ladder)trans-66.3127.1169.1-79.9179.6-61.3-139.3-14.7110.1R449 D451R361-R449 PolarHBondContact N-O 3.48Å; R361-R449 PolarHBondContact O-N 3.27Å; R361-D451 VanDerWaalsContact CD-OD2 3.31Å; R361-D451 WeakPolarHBondContact CD-OD2 3.44Å; R361-D451 WeakPolarHBondContact CG-OD2 3.31Å; R361-D451 IonicContact CZ-OD1 2.73Å; R361-D451 IonicContact CZ-OD2 3.08Å; R361-D451 IonicContact NE-OD1 2.71Å; R361-D451 PolarHBondContact NE-OD1 2.67Å; R361-D451 IonicContact NE-OD2 3.07Å; R361-D451 PolarHBondContact NE-OD2 2.73Å; R361-D451 IonicContact NH1-OD2 3.28Å; R361-D451 PolarHBondContact NH1-OD2 3.17Å; R361-D451 IonicContact NH2-OD1 3.71Å; R361-D451 PolarHBondContact NH2-OD1 3.43Å; R361-D451 IonicContact NH2-OD2 2.65Å; R361-D451 PolarHBondContact NH2-OD2 3.12Å; R361-D451 VanDerWaalsContact NH2-OD2 3.11Å
362R89Confident69.2Low179 Ų179101.1 Ų101.168%0.67552%0.52SS*.EExtended strand (participates in β ladder)trans-80130.8162.3-65-174.2-173.4-160.72.6108.8G360 L415 V447 L448G360-R362 PolarHBondContact O-N 2.85Å; R362-L415 HydrophobicContact CG-CD1 4.39Å; R362-V447 CarbonylContact C-O 3.57Å; R362-V447 WeakPolarHBondContact CA-O 3.46Å; R362-L448 HydrophobicContact CG-CD1 3.74Å
363L91.3Very high72.1Confident50 Ų5097.3 Ų97.326%0.26250%0.496SS..EExtended strand (participates in β ladder)trans-124.2138179.8-61.8172000108.7I365 V446 V447 R449L363-I365 HydrophobicContact CB-CG1 4.48Å; L363-V446 WeakPolarHBondContact O-CA 3.43Å; L363-V447 HydrophobicContact CB-CG2 3.88Å; L363-V447 PolarHBondContact N-O 3.11Å; L363-V447 PolarHBondContact O-N 2.73Å; L363-R449 HydrophobicContact CD1-CB 3.95Å
364R92.5Very high74.8Confident157 Ų15791 Ų9159%0.59246%0.463SS*.EExtended strand (participates in β ladder)trans-104.8129.6169.9-177.5177170.9157.93.4109.6D366 S444 L445R364-D366 IonicContact CZ-OD1 3.57Å; R364-D366 IonicContact NE-OD1 2.74Å; R364-D366 PolarHBondContact NE-OD1 3.09Å; R364-D366 VanDerWaalsContact NE-OD1 3.13Å; R364-D366 IonicContact NE-OD2 3.75Å; R364-D366 IonicContact NH2-OD1 3.94Å; R364-D366 PolarHBondContact NH2-OD1 3.49Å; R364-S444 VanDerWaalsContact CZ-OG 3.27Å; R364-S444 PolarHBondContact NE-OG 2.8Å; R364-S444 VanDerWaalsContact NE-OG 3.14Å; R364-S444 PolarHBondContact NH2-OG 3.36Å; R364-S444 VanDerWaalsContact NH2-OG 3.07Å; R364-L445 CarbonylContact C-O 3.6Å; R364-L445 WeakPolarHBondContact CA-O 3.15Å
365I93.8Very high77.3Confident1 Ų184.1 Ų84.11%0.00542%0.423CS..EExtended strand (participates in β ladder)trans-135.5108.5-172.2-54.9170.8000108.4L363 L367 R407 L408 L445 V447L363-I365 HydrophobicContact CB-CG1 4.48Å; I365-L367 HydrophobicContact CG2-CD2 3.7Å; I365-L367 HydrophobicContact CG2-CG 3.96Å; I365-R407 HydrophobicContact CD1-CB 4.17Å; I365-R407 HydrophobicContact CG1-CB 4.07Å; I365-R407 HydrophobicContact CG2-CB 4.05Å; I365-L408 HydrophobicContact CD1-CB 4.09Å; I365-L408 HydrophobicContact CD1-CD1 3.73Å; I365-L408 HydrophobicContact CG2-CB 4.47Å; I365-L445 PolarHBondContact N-O 2.81Å; I365-L445 PolarHBondContact O-N 2.97Å; I365-V447 HydrophobicContact CD1-CG2 3.76Å
366D93.3Very high80Confident56 Ų5680.4 Ų80.430%0.29939%0.394SS..EExtended strand (participates in β ladder)trans-95.7103.4-179-49.3-75.9000109.8R364 R407 T442 V443 S444R364-D366 IonicContact CZ-OD1 3.57Å; R364-D366 IonicContact NE-OD1 2.74Å; R364-D366 PolarHBondContact NE-OD1 3.09Å; R364-D366 VanDerWaalsContact NE-OD1 3.13Å; R364-D366 IonicContact NE-OD2 3.75Å; R364-D366 IonicContact NH2-OD1 3.94Å; R364-D366 PolarHBondContact NH2-OD1 3.49Å; D366-R407 PolarHBondContact O-NH2 3.03Å; D366-T442 HydrophobicContact CB-CG2 3.78Å; D366-V443 CarbonylContact C-O 3.43Å; D366-V443 WeakPolarHBondContact CA-O 3.23Å; D366-S444 VanDerWaalsContact OD1-CB 3.25Å; D366-S444 WeakPolarHBondContact OD1-CB 3.49Å; D366-S444 PolarHBondContact OD1-OG 2.85Å
367L92.9Very high82.9Confident1 Ų176 Ų761%0.00537%0.373CS..EExtended strand (participates in β ladder)trans-100.8118-175-64.3-174.9000112.5I365 L374 F376 A402 D405 L408 T442 V443 L445I365-L367 HydrophobicContact CG2-CD2 3.7Å; I365-L367 HydrophobicContact CG2-CG 3.96Å; L367-L374 HydrophobicContact CB-CD2 4.03Å; L367-F376 HydrophobicContact CD1-CD1 4.17Å; L367-F376 HydrophobicContact CD1-CE1 3.89Å; L367-A402 HydrophobicContact CD1-CB 3.94Å; L367-D405 HydrophobicContact CD2-CB 3.43Å; L367-D405 VanDerWaalsContact CD2-CB 3.43Å; L367-L408 HydrophobicContact CD1-CD2 4.09Å; L367-T442 WeakPolarHBondContact O-CA 3.25Å; L367-V443 PolarHBondContact N-O 3.28Å; L367-V443 PolarHBondContact O-N 3.19Å; L367-L445 HydrophobicContact CD1-CD1 3.82Å; L367-L445 HydrophobicContact CG-CD1 4.4Å
368K91Very high85.1Confident140 Ų14068.2 Ų68.261%0.60934%0.34SS*.EExtended strand (participates in β ladder)trans-80.5117.4174.2-167.3177.9-173.8179.20111.5G370 A401 G440 E441K368-G370 PolarHBondContact O-N 2.93Å; K368-A401 WeakPolarHBondContact O-CB 3.39Å; K368-G440 WeakPolarHBondContact CE-O 3.32Å; K368-E441 CarbonylContact C-O 3.55Å; K368-E441 WeakPolarHBondContact CA-O 3.28Å
369K91.1Very high86.8Confident26 Ų2659.4 Ų59.411%0.11331%0.313CS..PPolyproline II helixtrans-65.9118-175.8-168.8162.9179170.10111.5L374 L434 R435 T437 G440 E441K369-L374 HydrophobicContact CB-CD2 3.93Å; K369-L374 HydrophobicContact CD-CG 4.36Å; K369-L374 HydrophobicContact CG-CD2 4.23Å; K369-L374 HydrophobicContact CG-CG 4.29Å; K369-L434 PolarHBondContact NZ-O 2.65Å; K369-R435 PolarHBondContact NZ-O 3.4Å; K369-T437 WeakPolarHBondContact CD-O 3.24Å; K369-T437 WeakPolarHBondContact CD-OG1 3.41Å; K369-T437 VanDerWaalsContact CE-O 3.29Å; K369-T437 WeakPolarHBondContact CE-O 3.31Å; K369-T437 PolarHBondContact NZ-O 2.99Å; K369-T437 PolarHBondContact NZ-OG1 3.47Å; K369-G440 PolarHBondContact O-N 3.37Å; K369-E441 PolarHBondContact N-O 2.93Å
370G83.6Confident88.3Confident26 Ų2657.5 Ų57.527%0.26829%0.288SS..BIsolated β-bridgetrans-88.7-171.4178.500000113.5K368 E372 G373K368-G370 PolarHBondContact O-N 2.93Å; G370-E372 VanDerWaalsContact C-N 3.27Å; G370-E372 PolarHBondContact O-N 3.37Å; G370-G373 PolarHBondContact N-O 2.77Å; G370-G373 WeakPolarHBondContact O-CA 3.36Å; G370-G373 PolarHBondContact O-N 3.3Å
371S81.6Confident88.5Confident83 Ų8365.9 Ų65.958%0.5831%0.313SS*.THydrogen-bonded Turntrans-55.1-45.4167.654.40000111.3G373S371-G373 PolarHBondContact O-N 3.22Å
372E83.6Confident87.2Confident105 Ų10565.8 Ų65.849%0.49132%0.324SS..THydrogen-bonded Turntrans-7513.5175.7-38.5-53.7109.300113G370 R399G370-E372 VanDerWaalsContact C-N 3.27Å; G370-E372 PolarHBondContact O-N 3.37Å; E372-R399 HydrophobicContact CG-CB 3.97Å; E372-R399 WeakPolarHBondContact CG-O 3.29Å
373G87.6Confident85.6Confident17 Ų1759.7 Ų59.718%0.17531%0.308CS..BIsolated β-bridgetrans66.2-145.1-173.800000113.4G370 S371G370-G373 PolarHBondContact N-O 2.77Å; G370-G373 WeakPolarHBondContact O-CA 3.36Å; G370-G373 PolarHBondContact O-N 3.3Å; S371-G373 PolarHBondContact O-N 3.22Å
374L90.1Very high83.8Confident16 Ų1663.2 Ų63.28%0.08434%0.337CS..SBendtrans-82.6-31.1176.4-62.6172.5000112.1L367 K369 F376 A401 A402 L434 V443L367-L374 HydrophobicContact CB-CD2 4.03Å; K369-L374 HydrophobicContact CB-CD2 3.93Å; K369-L374 HydrophobicContact CD-CG 4.36Å; K369-L374 HydrophobicContact CG-CD2 4.23Å; K369-L374 HydrophobicContact CG-CG 4.29Å; L374-F376 HydrophobicContact CB-CD1 4Å; L374-F376 HydrophobicContact CB-CE1 3.77Å; L374-F376 HydrophobicContact CD1-CE1 4.13Å; L374-A401 PolarHBondContact O-N 2.81Å; L374-A402 PolarHBondContact O-N 3.43Å; L374-L434 HydrophobicContact CD1-CB 4.1Å; L374-L434 HydrophobicContact CD1-CD2 3.85Å; L374-V443 HydrophobicContact CD1-CG2 4.15Å; L374-V443 HydrophobicContact CD2-CB 4.3Å; L374-V443 HydrophobicContact CD2-CG2 3.9Å
375G90.6Very high82Confident10 Ų1062.9 Ų62.910%0.10335%0.346CS..  trans62.748.4173.100000115.5L397G375-L397 WeakPolarHBondContact O-CB 3.44Å; G375-L397 PolarHBondContact O-N 2.76Å
376F93.3Very high80Confident25 Ų2570.8 Ų70.811%0.1138%0.382CS..EExtended strand (participates in β ladder)trans-135.7159.4158.764.3-87.1000108.8L367 L374 V378 V393 N395 I396 A402 L408 I414 L434 L445L367-F376 HydrophobicContact CD1-CD1 4.17Å; L367-F376 HydrophobicContact CD1-CE1 3.89Å; L374-F376 HydrophobicContact CB-CD1 4Å; L374-F376 HydrophobicContact CB-CE1 3.77Å; L374-F376 HydrophobicContact CD1-CE1 4.13Å; F376-V378 HydrophobicContact CD2-CG1 3.93Å; F376-V378 HydrophobicContact CE2-CG1 3.62Å; F376-V393 HydrophobicContact CB-CG1 4.22Å; F376-V393 HydrophobicContact CD2-CG1 4.21Å; F376-V393 HydrophobicContact CD2-CG2 4.15Å; F376-V393 HydrophobicContact CE2-CG2 4.41Å; F376-N395 CarbonylContact C-O 3.59Å; F376-N395 VanDerWaalsContact CA-O 3.3Å; F376-N395 WeakPolarHBondContact CA-O 3.47Å; F376-I396 HydrophobicContact CB-CD1 3.85Å; F376-A402 HydrophobicContact CB-CB 4.16Å; F376-A402 HydrophobicContact CD1-CB 3.98Å; F376-L408 HydrophobicContact CB-CD2 4.07Å; F376-L408 HydrophobicContact CD1-CD2 3.59Å; F376-L408 HydrophobicContact CD2-CD2 4Å; F376-L408 HydrophobicContact CE1-CD2 3.92Å; F376-L408 HydrophobicContact CE2-CD2 4.31Å; F376-L408 HydrophobicContact CG-CD2 3.62Å; F376-L408 HydrophobicContact CZ-CD2 4.27Å; F376-I414 HydrophobicContact CE2-CD1 3.95Å; F376-L434 HydrophobicContact CE2-CD1 4.05Å; F376-L434 HydrophobicContact CZ-CD1 3.82Å; F376-L434 HydrophobicContact CZ-CD2 4.31Å; F376-L445 HydrophobicContact CE1-CD1 3.98Å; F376-L445 HydrophobicContact CZ-CD1 3.82Å
377T90.4Very high78.5Confident54 Ų5470.2 Ų70.233%0.33139%0.389SS..EExtended strand (participates in β ladder)trans-109.8151.117460.30000110.4V393 K394 N395 L397T377-V393 CarbonylContact O-C 3.55Å; T377-V393 WeakPolarHBondContact O-CA 3.45Å; T377-K394 PolarHBondContact O-N 3.25Å; T377-N395 PolarHBondContact N-O 2.89Å; T377-N395 PolarHBondContact OG1-N 2.79Å; T377-N395 PolarHBondContact OG1-O 3.46Å; T377-L397 HydrophobicContact CG2-CD2 4.41Å
378V92.1Very high77.3Confident19 Ų1974.2 Ų74.212%0.11542%0.416CS..EExtended strand (participates in β ladder)trans-118.9151.2178-65.40000110.8F376 I391 L392 I414 Q427 L430 V431F376-V378 HydrophobicContact CD2-CG1 3.93Å; F376-V378 HydrophobicContact CE2-CG1 3.62Å; V378-I391 HydrophobicContact CB-CG2 4.01Å; V378-L392 CarbonylContact C-O 3.54Å; V378-L392 VanDerWaalsContact CA-O 3.28Å; V378-L392 WeakPolarHBondContact CA-O 3.46Å; V378-I414 HydrophobicContact CG1-CD1 3.74Å; V378-Q427 HydrophobicContact CG2-CG 4.25Å; V378-Q427 PolarHBondContact O-NE2 3.13Å; V378-L430 HydrophobicContact CB-CD2 4.44Å; V378-L430 HydrophobicContact CG1-CD2 4.17Å; V378-L430 HydrophobicContact CG2-CD2 4.26Å; V378-V431 HydrophobicContact CG2-CG2 3.63Å
379V88.1Confident76.5Confident54 Ų5468.1 Ų68.133%0.32739%0.392SS..EExtended strand (participates in β ladder)trans-136.9137.4175.365.30000109.9L392 K394V379-L392 HydrophobicContact CG1-CB 4.15Å; V379-L392 PolarHBondContact N-O 3.45Å; V379-L392 PolarHBondContact O-N 3.02Å; V379-K394 HydrophobicContact CB-CB 4.19Å; V379-K394 HydrophobicContact CB-CD 4.24Å; V379-K394 HydrophobicContact CG1-CB 3.9Å; V379-K394 HydrophobicContact CG1-CD 4.42Å; V379-K394 HydrophobicContact CG1-CG 4.28Å
380T84.3Confident76.2Confident26 Ų2669.3 Ų69.316%0.1640%0.403CS..EExtended strand (participates in β ladder)trans-101.1154.8167.1360000110.6I391 Q427T380-I391 HydrophobicContact CG2-CB 4.13Å; T380-I391 HydrophobicContact CG2-CD1 3.96Å; T380-I391 HydrophobicContact CG2-CG1 3.67Å; T380-I391 HydrophobicContact CG2-CG2 3.97Å; T380-Q427 HydrophobicContact CG2-CB 3.77Å; T380-Q427 HydrophobicContact CG2-CG 4.18Å; T380-Q427 PolarHBondContact OG1-OE1 3.43Å; T380-Q427 VanDerWaalsContact OG1-OE1 3.11Å
381R73.8Confident76.5Confident196 Ų19668.3 Ų68.374%0.7439%0.391SS*.  trans-102.688.2163.5-168.4178.7-172.3-1741.9108.9S383 G389R381-S383 PolarHBondContact O-N 2.92Å; R381-G389 WeakPolarHBondContact O-CA 3.4Å
382D57.9Low76.9Confident140 Ų14067.3 Ų67.375%0.74938%0.379SS*.  trans-71.757.8-177.556.5-40.5000113.1S384D382-S384 PolarHBondContact O-N 3.08Å; D382-S384 VanDerWaalsContact O-N 3.07Å
383S54.2Low77.4Confident51 Ų5162.4 Ų62.436%0.35736%0.356SS..  trans-72100.2172.152.30000111R381 I385 H386R381-S383 PolarHBondContact O-N 2.92Å; S383-I385 PolarHBondContact O-N 3.25Å; S383-H386 PolarHBondContact O-N 2.73Å
384S55Low77.4Confident124 Ų12467.6 Ų67.687%0.86737%0.374SS*.THydrogen-bonded Turntrans-53.2-10.4177.1560000116D382D382-S384 PolarHBondContact O-N 3.08Å; D382-S384 VanDerWaalsContact O-N 3.07Å
385I53.8Low77.3Confident151 Ų15171.1 Ų71.177%0.77439%0.393SS*.THydrogen-bonded Turntrans-94.1-12.1179.5-60.6168.6000112.1S383S383-I385 PolarHBondContact O-N 3.25Å
386H52.8Low77.4Confident167 Ų16772.8 Ų72.877%0.77340%0.399SS*.SBendtrans-140.821.7-170.9-13965.2000116S383S383-H386 PolarHBondContact O-N 2.73Å
387G61Low77.3Confident43 Ų4375.2 Ų75.244%0.44341%0.413SS..SBendtrans74.2-167.4177.300000114.2G389G387-G389 PolarHBondContact O-N 3.4Å; G387-G389 VanDerWaalsContact O-N 3.08Å
388P67.6Low76.7Confident86 Ų8678.2 Ų78.256%0.55843%0.433SS*.SBendtrans-62.7110.3-178.2-22.734.8000111.5G424P388-G424 WeakPolarHBondContact CG-O 3.48Å
389G74.7Confident76.1Confident12 Ų1286.2 Ų86.212%0.12446%0.461CS..PPolyproline II helixtrans-66.4163.2-177.800000113.6R381 G387 I391R381-G389 WeakPolarHBondContact O-CA 3.4Å; G387-G389 PolarHBondContact O-N 3.4Å; G387-G389 VanDerWaalsContact O-N 3.08Å; G389-I391 PolarHBondContact O-N 2.92Å
390P84.3Confident76.1Confident51 Ų5183.8 Ų83.833%0.33145%0.447SS..PPolyproline II helixtrans-59.3131.9179.227.1-35.4000110.9L392 R413P390-L392 HydrophobicContact CB-CD2 4.37Å; P390-R413 HydrophobicContact CB-CG 4.31Å
391I89.9Confident76.3Confident4 Ų483 Ų832%0.02144%0.443CS..EExtended strand (participates in β ladder)trans-86.6120.9175.7-34.3-159.5000109.5V378 T380 G389 R413 I414 I422 L430V378-I391 HydrophobicContact CB-CG2 4.01Å; T380-I391 HydrophobicContact CG2-CB 4.13Å; T380-I391 HydrophobicContact CG2-CD1 3.96Å; T380-I391 HydrophobicContact CG2-CG1 3.67Å; T380-I391 HydrophobicContact CG2-CG2 3.97Å; G389-I391 PolarHBondContact O-N 2.92Å; I391-R413 WeakPolarHBondContact O-CA 3.46Å; I391-I414 PolarHBondContact O-N 2.59Å; I391-I422 HydrophobicContact CB-CD1 4.02Å; I391-I422 HydrophobicContact CD1-CD1 3.88Å; I391-I422 HydrophobicContact CG1-CD1 3.91Å; I391-L430 HydrophobicContact CB-CD2 4.22Å; I391-L430 HydrophobicContact CD1-CB 4.1Å; I391-L430 HydrophobicContact CD1-CD2 3.86Å; I391-L430 HydrophobicContact CG2-CD2 3.59Å
392L91.1Very high77.1Confident62 Ų6273.7 Ų73.733%0.32541%0.408SS..EExtended strand (participates in β ladder)trans-114.9144.6-175.4-54179.9000110.4V378 V379 P390 K394 R413V378-L392 CarbonylContact C-O 3.54Å; V378-L392 VanDerWaalsContact CA-O 3.28Å; V378-L392 WeakPolarHBondContact CA-O 3.46Å; V379-L392 HydrophobicContact CG1-CB 4.15Å; V379-L392 PolarHBondContact N-O 3.45Å; V379-L392 PolarHBondContact O-N 3.02Å; P390-L392 HydrophobicContact CB-CD2 4.37Å; L392-K394 PolarHBondContact O-N 3.29Å; L392-R413 HydrophobicContact CD2-CB 3.6Å; L392-R413 HydrophobicContact CD2-CG 4Å
393V92.2Very high78.6Confident2 Ų270.3 Ų70.31%0.01239%0.392CS..EExtended strand (participates in β ladder)trans-70.2122.6165.6179.40000108.6F376 T377 I396 L408 G411 D412 I414F376-V393 HydrophobicContact CB-CG1 4.22Å; F376-V393 HydrophobicContact CD2-CG1 4.21Å; F376-V393 HydrophobicContact CD2-CG2 4.15Å; F376-V393 HydrophobicContact CE2-CG2 4.41Å; T377-V393 CarbonylContact O-C 3.55Å; T377-V393 WeakPolarHBondContact O-CA 3.45Å; V393-I396 HydrophobicContact CG1-CD1 3.67Å; V393-L408 HydrophobicContact CG1-CD2 4.46Å; V393-L408 HydrophobicContact CG2-CD1 4.1Å; V393-L408 HydrophobicContact CG2-CD2 4.15Å; V393-L408 HydrophobicContact CG2-CG 4.23Å; V393-G411 PolarHBondContact O-N 3.18Å; V393-D412 HydrophobicContact CB-CB 4.47Å; V393-D412 HydrophobicContact CG2-CB 4.18Å; V393-D412 PolarHBondContact N-O 3.13Å; V393-I414 HydrophobicContact CG2-CD1 4.09Å; V393-I414 HydrophobicContact CG2-CG1 4.08Å
394K89Confident80.2Confident127 Ų12775.1 Ų75.155%0.55241%0.407SS*.EExtended strand (participates in β ladder)trans-87.7-67.3-179.8-169.2179.9176.5177.60110.8T377 V379 L392 S410T377-K394 PolarHBondContact O-N 3.25Å; V379-K394 HydrophobicContact CB-CB 4.19Å; V379-K394 HydrophobicContact CB-CD 4.24Å; V379-K394 HydrophobicContact CG1-CB 3.9Å; V379-K394 HydrophobicContact CG1-CD 4.42Å; V379-K394 HydrophobicContact CG1-CG 4.28Å; L392-K394 PolarHBondContact O-N 3.29Å; K394-S410 WeakPolarHBondContact O-CB 3.17Å
395N88.4Confident81.7Confident89 Ų8971.8 Ų71.848%0.47638%0.379SS..EExtended strand (participates in β ladder)trans-123.7148.6178.8-62.38.7000110.9F376 T377F376-N395 CarbonylContact C-O 3.59Å; F376-N395 VanDerWaalsContact CA-O 3.3Å; F376-N395 WeakPolarHBondContact CA-O 3.47Å; T377-N395 PolarHBondContact N-O 2.89Å; T377-N395 PolarHBondContact OG1-N 2.79Å; T377-N395 PolarHBondContact OG1-O 3.46Å
396I92Very high83.3Confident45 Ų4566.9 Ų66.923%0.23137%0.366CS..EExtended strand (participates in β ladder)trans-94.8136.9162.8-51.5-58.7000108.1F376 V393 A402 V403 L408F376-I396 HydrophobicContact CB-CD1 3.85Å; V393-I396 HydrophobicContact CG1-CD1 3.67Å; I396-A402 HydrophobicContact CD1-CB 4.32Å; I396-A402 HydrophobicContact CG2-CB 4.04Å; I396-V403 HydrophobicContact CG2-CB 3.79Å; I396-V403 HydrophobicContact CG2-CG2 4.44Å; I396-L408 HydrophobicContact CD1-CB 4.42Å; I396-L408 HydrophobicContact CD1-CD2 4.08Å; I396-L408 HydrophobicContact CD1-CG 4.13Å
397L89.9Confident85.1Confident76 Ų7664 Ų6440%0.39835%0.348SS..  trans-97.2135.8-176-57.9-177.6000111.8G375 T377 R399 G400 V403G375-L397 WeakPolarHBondContact O-CB 3.44Å; G375-L397 PolarHBondContact O-N 2.76Å; T377-L397 HydrophobicContact CG2-CD2 4.41Å; L397-R399 PolarHBondContact O-N 3.41Å; L397-G400 PolarHBondContact O-N 3.3Å; L397-G400 VanDerWaalsContact O-N 3.08Å; L397-V403 WeakPolarHBondContact O-CG1 3.43Å
398P77.9Confident86.6Confident117 Ų11762.3 Ų62.376%0.7633%0.329SS*.THydrogen-bonded Turntrans-70.88.6-163.928.1-37.1000116.6
399R81.3Confident87.6Confident188 Ų18862.7 Ų62.771%0.70932%0.323SS*.THydrogen-bonded Turntrans-132.7-1.4173.6-58.8-172.2174.2-150.2-4.6114.3E372 L397 K404E372-R399 HydrophobicContact CG-CB 3.97Å; E372-R399 WeakPolarHBondContact CG-O 3.29Å; L397-R399 PolarHBondContact O-N 3.41Å; R399-K404 WeakPolarHBondContact O-CE 3.49Å; R399-K404 PolarHBondContact O-NZ 3.26Å
400G86.3Confident88.3Confident2 Ų265.8 Ų65.82%0.02134%0.343CS..SBendtrans-67.8175.3-173.700000116.3L397 V403 K404L397-G400 PolarHBondContact O-N 3.3Å; L397-G400 VanDerWaalsContact O-N 3.08Å; G400-V403 WeakPolarHBondContact O-CG1 3.16Å; G400-K404 VanDerWaalsContact O-CD 3.31Å; G400-K404 WeakPolarHBondContact O-CD 3.35Å; G400-K404 VanDerWaalsContact O-CG 3.31Å; G400-K404 WeakPolarHBondContact O-CG 3.36Å; G400-K404 PolarHBondContact O-N 2.89Å
401A88.6Confident88.4Confident11 Ų1165.3 Ų65.39%0.09135%0.348CS..Hα-helixtrans-66.5-40.9166.200000111.7K368 L374 V403 K404 D405K368-A401 WeakPolarHBondContact O-CB 3.39Å; L374-A401 PolarHBondContact O-N 2.81Å; A401-V403 PolarHBondContact O-N 3.31Å; A401-K404 PolarHBondContact O-N 3.02Å; A401-K404 VanDerWaalsContact O-N 3.14Å; A401-D405 WeakPolarHBondContact O-CB 3.21Å; A401-D405 PolarHBondContact O-N 2.94Å
402A90.9Very high88.5Confident0 Ų065.2 Ų65.20%035%0.347CS..Hα-helixtrans-60.6-40.2-178.300000113.5L367 L374 F376 I396 G406 L408L367-A402 HydrophobicContact CD1-CB 3.94Å; L374-A402 PolarHBondContact O-N 3.43Å; F376-A402 HydrophobicContact CB-CB 4.16Å; F376-A402 HydrophobicContact CD1-CB 3.98Å; I396-A402 HydrophobicContact CD1-CB 4.32Å; I396-A402 HydrophobicContact CG2-CB 4.04Å; A402-G406 PolarHBondContact O-N 3.22Å; A402-L408 HydrophobicContact CB-CB 4.41Å; A402-L408 HydrophobicContact CB-CD2 4.01Å
403V89.7Confident88.6Confident69 Ų6966.3 Ų66.342%0.41835%0.347SS..Hα-helixtrans-72.7-30.6175.872.40000112.7I396 L397 G400 A401I396-V403 HydrophobicContact CG2-CB 3.79Å; I396-V403 HydrophobicContact CG2-CG2 4.44Å; L397-V403 WeakPolarHBondContact O-CG1 3.43Å; G400-V403 WeakPolarHBondContact O-CG1 3.16Å; A401-V403 PolarHBondContact O-N 3.31Å
404K86.9Confident88.6Confident152 Ų15266.3 Ų66.366%0.66135%0.347SS*.Hα-helixtrans-74.2-31177.3-72.6168178.9152.60112.6R399 G400 A401R399-K404 WeakPolarHBondContact O-CE 3.49Å; R399-K404 PolarHBondContact O-NZ 3.26Å; G400-K404 VanDerWaalsContact O-CD 3.31Å; G400-K404 WeakPolarHBondContact O-CD 3.35Å; G400-K404 VanDerWaalsContact O-CG 3.31Å; G400-K404 WeakPolarHBondContact O-CG 3.36Å; G400-K404 PolarHBondContact O-N 2.89Å; A401-K404 PolarHBondContact O-N 3.02Å; A401-K404 VanDerWaalsContact O-N 3.14Å
405D88.5Confident88.6Confident53 Ų5361.1 Ų61.128%0.28333%0.325SS..Hα-helixtrans-81.8-35.9173.3-179.790.4000112.5L367 A401 R407L367-D405 HydrophobicContact CD2-CB 3.43Å; L367-D405 VanDerWaalsContact CD2-CB 3.43Å; A401-D405 WeakPolarHBondContact O-CB 3.21Å; A401-D405 PolarHBondContact O-N 2.94Å; D405-R407 VanDerWaalsContact CG-NE 3.32Å; D405-R407 PolarHBondContact O-N 2.83Å; D405-R407 IonicContact OD1-CZ 3.88Å; D405-R407 VanDerWaalsContact OD1-CZ 3.28Å; D405-R407 IonicContact OD1-NE 3.32Å; D405-R407 PolarHBondContact OD1-NE 3.28Å; D405-R407 IonicContact OD1-NH2 3.67Å; D405-R407 PolarHBondContact OD1-NH2 3.37Å; D405-R407 WeakPolarHBondContact OD2-CB 3.26Å; D405-R407 VanDerWaalsContact OD2-CG 3.3Å; D405-R407 WeakPolarHBondContact OD2-CG 3.45Å; D405-R407 IonicContact OD2-CZ 2.66Å; D405-R407 PolarHBondContact OD2-N 2.83Å; D405-R407 IonicContact OD2-NE 3.7Å; D405-R407 PolarHBondContact OD2-NE 3.41Å; D405-R407 IonicContact OD2-NH2 3.13Å
406G87.3Confident88.8Confident48 Ų4859.6 Ų59.650%0.49532%0.315SS..  trans72.2-10.1173.300000116A402A402-G406 PolarHBondContact O-N 3.22Å
407R89Confident88.9Confident108 Ų10857.4 Ų57.441%0.40830%0.304SS..  trans-77.3-28.9-178.8-58.4177.3-74.7172.5-9.1112.9I365 D366 D405 R449I365-R407 HydrophobicContact CD1-CB 4.17Å; I365-R407 HydrophobicContact CG1-CB 4.07Å; I365-R407 HydrophobicContact CG2-CB 4.05Å; D366-R407 PolarHBondContact O-NH2 3.03Å; D405-R407 VanDerWaalsContact CG-NE 3.32Å; D405-R407 PolarHBondContact O-N 2.83Å; D405-R407 IonicContact OD1-CZ 3.88Å; D405-R407 VanDerWaalsContact OD1-CZ 3.28Å; D405-R407 IonicContact OD1-NE 3.32Å; D405-R407 PolarHBondContact OD1-NE 3.28Å; D405-R407 IonicContact OD1-NH2 3.67Å; D405-R407 PolarHBondContact OD1-NH2 3.37Å; D405-R407 WeakPolarHBondContact OD2-CB 3.26Å; D405-R407 VanDerWaalsContact OD2-CG 3.3Å; D405-R407 WeakPolarHBondContact OD2-CG 3.45Å; D405-R407 IonicContact OD2-CZ 2.66Å; D405-R407 PolarHBondContact OD2-N 2.83Å; D405-R407 IonicContact OD2-NE 3.7Å; D405-R407 PolarHBondContact OD2-NE 3.41Å; D405-R407 IonicContact OD2-NH2 3.13Å; R407-R449 PolarHBondContact O-NH2 2.92Å
408L92.8Very high88.9Confident6 Ų657.6 Ų57.63%0.03131%0.305CS..  trans-83.2132.9179.7-167.773.4000111I365 L367 F376 V393 I396 A402 D412 L445 V447I365-L408 HydrophobicContact CD1-CB 4.09Å; I365-L408 HydrophobicContact CD1-CD1 3.73Å; I365-L408 HydrophobicContact CG2-CB 4.47Å; L367-L408 HydrophobicContact CD1-CD2 4.09Å; F376-L408 HydrophobicContact CB-CD2 4.07Å; F376-L408 HydrophobicContact CD1-CD2 3.59Å; F376-L408 HydrophobicContact CD2-CD2 4Å; F376-L408 HydrophobicContact CE1-CD2 3.92Å; F376-L408 HydrophobicContact CE2-CD2 4.31Å; F376-L408 HydrophobicContact CG-CD2 3.62Å; F376-L408 HydrophobicContact CZ-CD2 4.27Å; V393-L408 HydrophobicContact CG1-CD2 4.46Å; V393-L408 HydrophobicContact CG2-CD1 4.1Å; V393-L408 HydrophobicContact CG2-CD2 4.15Å; V393-L408 HydrophobicContact CG2-CG 4.23Å; I396-L408 HydrophobicContact CD1-CB 4.42Å; I396-L408 HydrophobicContact CD1-CD2 4.08Å; I396-L408 HydrophobicContact CD1-CG 4.13Å; A402-L408 HydrophobicContact CB-CB 4.41Å; A402-L408 HydrophobicContact CB-CD2 4.01Å; L408-D412 HydrophobicContact CD1-CB 4.34Å; L408-L445 HydrophobicContact CD1-CD1 4.17Å; L408-L445 HydrophobicContact CD2-CD1 4.13Å; L408-V447 HydrophobicContact CD1-CG1 3.91Å
409Q89.5Confident89.1Confident94 Ų9454.8 Ų54.844%0.43930%0.298SS..  trans-124.9151.6-176.1-67.4-179.1-18.600111.7G411 D412 R449Q409-G411 PolarHBondContact O-N 2.92Å; Q409-D412 PolarHBondContact N-OD2 3.21Å; Q409-D412 WeakPolarHBondContact O-CB 3.31Å; Q409-D412 PolarHBondContact O-N 3.45Å; Q409-R449 VanDerWaalsContact CD-CZ 3.48Å; Q409-R449 VanDerWaalsContact CD-NH1 3.31Å
410S89.8Confident89.4Confident77 Ų7749.5 Ų49.554%0.53829%0.286SS..THydrogen-bonded Turntrans-59.3131.716648.60000110.3K394K394-S410 WeakPolarHBondContact O-CB 3.17Å
411G86.2Confident89.5Confident42 Ų4253.7 Ų53.743%0.43331%0.308SS..THydrogen-bonded Turntrans95.4-11.8-173.600000114.7V393 Q409 R413V393-G411 PolarHBondContact O-N 3.18Å; Q409-G411 PolarHBondContact O-N 2.92Å; G411-R413 PolarHBondContact O-N 3.36Å
412D92.2Very high89.4Confident2 Ų253.4 Ų53.41%0.01131%0.305CS..PPolyproline II helixtrans-61.4124.2171.8-79.3-25.5000110.3V393 L408 Q409 V447 R449V393-D412 HydrophobicContact CB-CB 4.47Å; V393-D412 HydrophobicContact CG2-CB 4.18Å; V393-D412 PolarHBondContact N-O 3.13Å; L408-D412 HydrophobicContact CD1-CB 4.34Å; Q409-D412 PolarHBondContact N-OD2 3.21Å; Q409-D412 WeakPolarHBondContact O-CB 3.31Å; Q409-D412 PolarHBondContact O-N 3.45Å; D412-V447 HydrophobicContact CB-CB 4.11Å; D412-V447 HydrophobicContact CB-CG1 4.47Å; D412-V447 HydrophobicContact CB-CG2 4.13Å; D412-R449 VanDerWaalsContact CG-NH2 3.33Å; D412-R449 IonicContact OD1-CZ 2.84Å; D412-R449 IonicContact OD1-NE 3.86Å; D412-R449 PolarHBondContact OD1-NE 2.94Å; D412-R449 IonicContact OD1-NH2 3.68Å; D412-R449 PolarHBondContact OD1-NH2 3.46Å; D412-R449 VanDerWaalsContact OD1-NH2 3.15Å; D412-R449 IonicContact OD2-CZ 3.06Å; D412-R449 IonicContact OD2-NE 3.45Å; D412-R449 IonicContact OD2-NH2 2.69Å; D412-R449 PolarHBondContact OD2-NH2 2.88Å
413R91.3Very high88.9Confident85 Ų8556.8 Ų56.832%0.32133%0.326SS..EExtended strand (participates in β ladder)trans-80.6121.4170.9176.8179.2174.6172.31.8109P390 I391 L392 G411 L415 V447 L448P390-R413 HydrophobicContact CB-CG 4.31Å; I391-R413 WeakPolarHBondContact O-CA 3.46Å; L392-R413 HydrophobicContact CD2-CB 3.6Å; L392-R413 HydrophobicContact CD2-CG 4Å; G411-R413 PolarHBondContact O-N 3.36Å; R413-L415 HydrophobicContact CG-CD2 4.24Å; R413-V447 CarbonylContact O-C 3.51Å; R413-V447 WeakPolarHBondContact O-CA 3.25Å; R413-V447 WeakPolarHBondContact O-CB 3.41Å; R413-L448 HydrophobicContact CB-CB 4.38Å; R413-L448 PolarHBondContact N-O 2.64Å; R413-L448 PolarHBondContact O-N 2.95Å
414I92.2Very high88.1Confident2 Ų256 Ų561%0.0133%0.332CS..EExtended strand (participates in β ladder)trans-73.5135.9172.8-53.8173.2000108.2F376 V378 I391 V393 V417 I422 L430 V447F376-I414 HydrophobicContact CE2-CD1 3.95Å; V378-I414 HydrophobicContact CG1-CD1 3.74Å; I391-I414 PolarHBondContact O-N 2.59Å; V393-I414 HydrophobicContact CG2-CD1 4.09Å; V393-I414 HydrophobicContact CG2-CG1 4.08Å; I414-V417 HydrophobicContact CG2-CG2 3.8Å; I414-I422 HydrophobicContact CB-CD1 3.69Å; I414-I422 HydrophobicContact CG2-CD1 3.54Å; I414-I422 HydrophobicContact CG2-CG1 4Å; I414-L430 HydrophobicContact CD1-CD2 4.16Å; I414-V447 HydrophobicContact CG1-CG1 4.14Å
415L90.9Very high87.8Confident17 Ų1750 Ų509%0.08931%0.307CS..EExtended strand (participates in β ladder)trans-113.6-42.8174.7-65.7-171.8000111.6R362 R413 I422 T423 V446 L448R362-L415 HydrophobicContact CG-CD1 4.39Å; R413-L415 HydrophobicContact CG-CD2 4.24Å; L415-I422 WeakPolarHBondContact O-CG1 3.48Å; L415-I422 PolarHBondContact O-N 3.21Å; L415-T423 HydrophobicContact CD2-CG2 4.3Å; L415-V446 PolarHBondContact N-O 2.83Å; L415-L448 HydrophobicContact CD1-CB 3.86Å; L415-L448 HydrophobicContact CD2-CB 4.31Å; L415-L448 HydrophobicContact CG-CB 3.95Å
416E92.5Very high87.6Confident57 Ų5749 Ų4927%0.26631%0.31SS..EExtended strand (participates in β ladder)trans-138.3150.3-178.5-49158.7-143.300110.6V420 V446E416-V420 CarbonylContact C-O 3.49Å; E416-V420 WeakPolarHBondContact CA-O 3.48Å; E416-V446 HydrophobicContact CB-CB 3.83Å; E416-V446 HydrophobicContact CB-CG2 4.02Å; E416-V446 HydrophobicContact CG-CB 4.07Å; E416-V446 HydrophobicContact CG-CG2 4.36Å; E416-V446 PolarHBondContact N-O 2.85Å; E416-V446 VanDerWaalsContact N-O 3.08Å; E416-V446 PolarHBondContact O-N 2.89Å; E416-V446 WeakPolarHBondContact OE2-CG2 3.08Å
417V92.8Very high87.6Confident0 Ų050.1 Ų50.10%030%0.302CS..EExtended strand (participates in β ladder)trans-132.5120.7171.3176.80000109.1I414 G419 V420 I422 L430 M433 L434 V443 L445I414-V417 HydrophobicContact CG2-CG2 3.8Å; V417-G419 PolarHBondContact O-N 3.08Å; V417-G419 VanDerWaalsContact O-N 3.16Å; V417-V420 PolarHBondContact N-O 3.28Å; V417-V420 WeakPolarHBondContact O-CB 3.39Å; V417-V420 PolarHBondContact O-N 3.12Å; V417-I422 HydrophobicContact CB-CG2 4.39Å; V417-I422 HydrophobicContact CG2-CG2 4.21Å; V417-L430 HydrophobicContact CB-CD1 4.4Å; V417-L430 HydrophobicContact CG2-CD1 3.48Å; V417-L430 VanDerWaalsContact CG2-CD1 3.48Å; V417-M433 HydrophobicContact CB-CE 3.92Å; V417-M433 HydrophobicContact CG1-CE 4.26Å; V417-L434 HydrophobicContact CG1-CD2 3.79Å; V417-L434 HydrophobicContact CG2-CD2 4.29Å; V417-V443 HydrophobicContact CG1-CG1 3.82Å; V417-L445 HydrophobicContact CB-CD2 4.39Å; V417-L445 HydrophobicContact CG1-CD2 4.15Å; V417-L445 HydrophobicContact CG2-CD2 3.7Å
418N89.8Confident87.4Confident80 Ų8052.8 Ų52.843%0.42832%0.319SS..THydrogen-bonded Turntrans54.627-175.8-63-21.1000114.2V443 S444N418-V443 WeakPolarHBondContact OD1-CA 3.14Å; N418-S444 PolarHBondContact N-O 3.26Å; N418-S444 PolarHBondContact OD1-N 2.8Å
419G83.4Confident87.2Confident58 Ų5858 Ų5860%0.59834%0.344SS*.THydrogen-bonded Turntrans84.44.3-176.600000115V417V417-G419 PolarHBondContact O-N 3.08Å; V417-G419 VanDerWaalsContact O-N 3.16Å
420V87.3Confident87.2Confident76 Ų7653.5 Ų53.546%0.46132%0.323SS..EExtended strand (participates in β ladder)trans-89.5121167.1-177.30000108.1E416 V417 M433E416-V420 CarbonylContact C-O 3.49Å; E416-V420 WeakPolarHBondContact CA-O 3.48Å; V417-V420 PolarHBondContact N-O 3.28Å; V417-V420 WeakPolarHBondContact O-CB 3.39Å; V417-V420 PolarHBondContact O-N 3.12Å; V420-M433 HydrophobicContact CB-CE 3.77Å; V420-M433 HydrophobicContact CG1-CE 3.9Å; V420-M433 HydrophobicContact CG2-CE 4.3Å
421D88Confident87.2Confident91 Ų9151.6 Ų51.649%0.48731%0.308SS..EExtended strand (participates in β ladder)trans-64.9133170.6-170.6-22.4000109.4T423D421-T423 WeakPolarHBondContact OD1-CB 3.36Å; D421-T423 WeakPolarHBondContact OD1-CG2 3.39Å; D421-T423 PolarHBondContact OD1-N 3.06Å; D421-T423 PolarHBondContact OD1-OG1 3.1Å; D421-T423 PolarHBondContact OD2-OG1 3.25Å
422I87.3Confident87.3Confident4 Ų453.5 Ų53.52%0.02131%0.313CS..  trans-11010-178.468.4134.3000112.8I391 I414 L415 V417 G424 V425 L430 M433I391-I422 HydrophobicContact CB-CD1 4.02Å; I391-I422 HydrophobicContact CD1-CD1 3.88Å; I391-I422 HydrophobicContact CG1-CD1 3.91Å; I414-I422 HydrophobicContact CB-CD1 3.69Å; I414-I422 HydrophobicContact CG2-CD1 3.54Å; I414-I422 HydrophobicContact CG2-CG1 4Å; L415-I422 WeakPolarHBondContact O-CG1 3.48Å; L415-I422 PolarHBondContact O-N 3.21Å; V417-I422 HydrophobicContact CB-CG2 4.39Å; V417-I422 HydrophobicContact CG2-CG2 4.21Å; I422-G424 PolarHBondContact O-N 3.13Å; I422-V425 HydrophobicContact CB-CB 4.11Å; I422-V425 HydrophobicContact CB-CG2 4.42Å; I422-V425 PolarHBondContact O-N 3.5Å; I422-L430 HydrophobicContact CD1-CD1 4.18Å; I422-L430 HydrophobicContact CD1-CD2 4.13Å; I422-L430 HydrophobicContact CG2-CD1 4.13Å; I422-M433 HydrophobicContact CG2-CE 4.13Å
423T79.8Confident87Confident72 Ų7255.3 Ų55.344%0.44232%0.322SS..THydrogen-bonded Turntrans-71.811817061.10000109.9L415 D421L415-T423 HydrophobicContact CD2-CG2 4.3Å; D421-T423 WeakPolarHBondContact OD1-CB 3.36Å; D421-T423 WeakPolarHBondContact OD1-CG2 3.39Å; D421-T423 PolarHBondContact OD1-N 3.06Å; D421-T423 PolarHBondContact OD1-OG1 3.1Å; D421-T423 PolarHBondContact OD2-OG1 3.25Å
424G73.2Confident87Confident53 Ų5352 Ų5255%0.54631%0.311SS..THydrogen-bonded Turntrans91-12.8-170.900000114.9P388 I422P388-G424 WeakPolarHBondContact CG-O 3.48Å; I422-G424 PolarHBondContact O-N 3.13Å
425V81.3Confident86.8Confident24 Ų2461 Ų6115%0.14534%0.344CS..  trans-76.1145.5175.4171.50000110.4I422 E429I422-V425 HydrophobicContact CB-CB 4.11Å; I422-V425 HydrophobicContact CB-CG2 4.42Å; I422-V425 PolarHBondContact O-N 3.5Å; V425-E429 HydrophobicContact CG1-CB 3.78Å; V425-E429 HydrophobicContact CG1-CG 3.78Å
426G82.9Confident86.5Confident33 Ų3364.5 Ų64.534%0.3437%0.371SS..  trans-73.4155.6178.800000113.4E428 E429 L430G426-E428 PolarHBondContact O-N 3.1Å; G426-E429 PolarHBondContact O-N 3.5Å; G426-L430 PolarHBondContact O-N 3.05Å
427Q87.1Confident86.2Confident71 Ų7162.5 Ų62.533%0.33236%0.362SS..Hα-helixtrans-56.9-41.5174.6-166.2-172.54.600111.5V378 T380 V431V378-Q427 HydrophobicContact CG2-CG 4.25Å; V378-Q427 PolarHBondContact O-NE2 3.13Å; T380-Q427 HydrophobicContact CG2-CB 3.77Å; T380-Q427 HydrophobicContact CG2-CG 4.18Å; T380-Q427 PolarHBondContact OG1-OE1 3.43Å; T380-Q427 VanDerWaalsContact OG1-OE1 3.11Å; Q427-V431 VanDerWaalsContact O-CB 3.31Å; Q427-V431 WeakPolarHBondContact O-CB 3.47Å; Q427-V431 WeakPolarHBondContact O-CG2 3.37Å; Q427-V431 PolarHBondContact O-N 3.35Å
428E86.2Confident85.9Confident164 Ų16471.4 Ų71.477%0.76640%0.396SS*.Hα-helixtrans-64.3-43.8179.8-60-177.2170.100111.9G426 V431 C432G426-E428 PolarHBondContact O-N 3.1Å; E428-V431 CarbonylContact O-C 3.53Å; E428-V431 PolarHBondContact O-N 3.48Å; E428-C432 WeakPolarHBondContact O-CB 3.42Å; E428-C432 PolarHBondContact O-N 3.39Å; E428-C432 PolarHBondContact O-SG 2.82Å; E428-C432 VanDerWaalsContact O-SG 3.36Å
429E87.7Confident85.7Confident116 Ų11674.5 Ų74.554%0.54241%0.408SS..Hα-helixtrans-67.3-44.1179.7-176.4171.9-159.700111.8V425 G426 V431 C432 M433V425-E429 HydrophobicContact CG1-CB 3.78Å; V425-E429 HydrophobicContact CG1-CG 3.78Å; G426-E429 PolarHBondContact O-N 3.5Å; E429-V431 VanDerWaalsContact C-N 3.31Å; E429-V431 PolarHBondContact O-N 2.86Å; E429-C432 WeakPolarHBondContact O-CB 3.15Å; E429-C432 PolarHBondContact O-N 3.27Å; E429-M433 WeakPolarHBondContact O-CG 3.46Å; E429-M433 PolarHBondContact O-N 3.34Å
430L88.8Confident85.6Confident0 Ų073.7 Ų73.70%040%0.399CS..Hα-helixtrans-55.3-48.2168.5171.469.2000111.1V378 I391 I414 V417 I422 G426 C432 M433 L434V378-L430 HydrophobicContact CB-CD2 4.44Å; V378-L430 HydrophobicContact CG1-CD2 4.17Å; V378-L430 HydrophobicContact CG2-CD2 4.26Å; I391-L430 HydrophobicContact CB-CD2 4.22Å; I391-L430 HydrophobicContact CD1-CB 4.1Å; I391-L430 HydrophobicContact CD1-CD2 3.86Å; I391-L430 HydrophobicContact CG2-CD2 3.59Å; I414-L430 HydrophobicContact CD1-CD2 4.16Å; V417-L430 HydrophobicContact CB-CD1 4.4Å; V417-L430 HydrophobicContact CG2-CD1 3.48Å; V417-L430 VanDerWaalsContact CG2-CD1 3.48Å; I422-L430 HydrophobicContact CD1-CD1 4.18Å; I422-L430 HydrophobicContact CD1-CD2 4.13Å; I422-L430 HydrophobicContact CG2-CD1 4.13Å; G426-L430 PolarHBondContact O-N 3.05Å; L430-C432 VanDerWaalsContact C-N 3.27Å; L430-C432 PolarHBondContact O-N 3.46Å; L430-M433 WeakPolarHBondContact O-CB 3.37Å; L430-M433 PolarHBondContact O-N 2.75Å; L430-L434 HydrophobicContact CD1-CD1 3.92Å; L430-L434 HydrophobicContact CD1-CG 4.04Å; L430-L434 HydrophobicContact CD2-CD1 4.29Å; L430-L434 HydrophobicContact CG-CD1 3.87Å; L430-L434 HydrophobicContact CG-CG 4.32Å; L430-L434 WeakPolarHBondContact O-CG 3.38Å; L430-L434 PolarHBondContact O-N 3.34Å
431V90.1Very high85.7Confident37 Ų3774 Ų7422%0.22440%0.396CS..Hα-helixtrans-64.3-34.8-178.6166.20000110.8V378 Q427 E428 E429 L434 R435V378-V431 HydrophobicContact CG2-CG2 3.63Å; Q427-V431 VanDerWaalsContact O-CB 3.31Å; Q427-V431 WeakPolarHBondContact O-CB 3.47Å; Q427-V431 WeakPolarHBondContact O-CG2 3.37Å; Q427-V431 PolarHBondContact O-N 3.35Å; E428-V431 CarbonylContact O-C 3.53Å; E428-V431 PolarHBondContact O-N 3.48Å; E429-V431 VanDerWaalsContact C-N 3.31Å; E429-V431 PolarHBondContact O-N 2.86Å; V431-L434 PolarHBondContact O-N 3.02Å; V431-R435 HydrophobicContact CG1-CG 4.28Å; V431-R435 VanDerWaalsContact O-CB 3.23Å; V431-R435 WeakPolarHBondContact O-CB 3.31Å; V431-R435 WeakPolarHBondContact O-CG 3.23Å; V431-R435 PolarHBondContact O-N 2.71Å
432C87.7Confident85.7Confident82 Ų8273.4 Ų73.455%0.55440%0.396SS*.Hα-helixtrans-64.2-45.7170.8-76.60000112.1E428 E429 L430 L434 R435 S436E428-C432 WeakPolarHBondContact O-CB 3.42Å; E428-C432 PolarHBondContact O-N 3.39Å; E428-C432 PolarHBondContact O-SG 2.82Å; E428-C432 VanDerWaalsContact O-SG 3.36Å; E429-C432 WeakPolarHBondContact O-CB 3.15Å; E429-C432 PolarHBondContact O-N 3.27Å; L430-C432 VanDerWaalsContact C-N 3.27Å; L430-C432 PolarHBondContact O-N 3.46Å; C432-L434 VanDerWaalsContact C-N 3.34Å; C432-L434 PolarHBondContact O-N 2.86Å; C432-R435 PolarHBondContact O-N 2.91Å; C432-S436 WeakPolarHBondContact O-CB 3.16Å; C432-S436 PolarHBondContact O-N 2.78Å; C432-S436 PolarHBondContact O-OG 3.3Å
433M87.7Confident86Confident39 Ų3973.2 Ų73.219%0.19240%0.395CS..Hα-helixtrans-60.2-40.3174.2-68.4162.757.500112.6V417 V420 I422 E429 L430 S436V417-M433 HydrophobicContact CB-CE 3.92Å; V417-M433 HydrophobicContact CG1-CE 4.26Å; V420-M433 HydrophobicContact CB-CE 3.77Å; V420-M433 HydrophobicContact CG1-CE 3.9Å; V420-M433 HydrophobicContact CG2-CE 4.3Å; I422-M433 HydrophobicContact CG2-CE 4.13Å; E429-M433 WeakPolarHBondContact O-CG 3.46Å; E429-M433 PolarHBondContact O-N 3.34Å; L430-M433 WeakPolarHBondContact O-CB 3.37Å; L430-M433 PolarHBondContact O-N 2.75Å; M433-S436 PolarHBondContact O-OG 2.84Å
434L90.3Very high86.6Confident15 Ų1570.5 Ų70.58%0.07938%0.379CS..Hα-helixtrans-73.7-27.9176.7-66.1175.8000112.6K369 L374 F376 V417 L430 V431 C432 T437 V443 L445K369-L434 PolarHBondContact NZ-O 2.65Å; L374-L434 HydrophobicContact CD1-CB 4.1Å; L374-L434 HydrophobicContact CD1-CD2 3.85Å; F376-L434 HydrophobicContact CE2-CD1 4.05Å; F376-L434 HydrophobicContact CZ-CD1 3.82Å; F376-L434 HydrophobicContact CZ-CD2 4.31Å; V417-L434 HydrophobicContact CG1-CD2 3.79Å; V417-L434 HydrophobicContact CG2-CD2 4.29Å; L430-L434 HydrophobicContact CD1-CD1 3.92Å; L430-L434 HydrophobicContact CD1-CG 4.04Å; L430-L434 HydrophobicContact CD2-CD1 4.29Å; L430-L434 HydrophobicContact CG-CD1 3.87Å; L430-L434 HydrophobicContact CG-CG 4.32Å; L430-L434 WeakPolarHBondContact O-CG 3.38Å; L430-L434 PolarHBondContact O-N 3.34Å; V431-L434 PolarHBondContact O-N 3.02Å; C432-L434 VanDerWaalsContact C-N 3.34Å; C432-L434 PolarHBondContact O-N 2.86Å; L434-T437 PolarHBondContact O-OG1 3.42Å; L434-V443 HydrophobicContact CD2-CG1 3.92Å; L434-L445 HydrophobicContact CD2-CD2 3.88Å
435R88.1Confident87.6Confident191 Ų19168 Ų6872%0.72135%0.353SS*.Hα-helixtrans-82.6-34.9177.2-76.4176.8-169.7-97.86.2113.4K369 V431 C432 T437K369-R435 PolarHBondContact NZ-O 3.4Å; V431-R435 HydrophobicContact CG1-CG 4.28Å; V431-R435 VanDerWaalsContact O-CB 3.23Å; V431-R435 WeakPolarHBondContact O-CB 3.31Å; V431-R435 WeakPolarHBondContact O-CG 3.23Å; V431-R435 PolarHBondContact O-N 2.71Å; C432-R435 PolarHBondContact O-N 2.91Å; R435-T437 VanDerWaalsContact C-N 3.34Å; R435-T437 PolarHBondContact O-N 3.41Å
436S85.6Confident88.1Confident92 Ų9267.7 Ų67.764%0.64335%0.351SS*.Hα-helixtrans-68.5-27.6-174.863.30000114.6C432 M433C432-S436 WeakPolarHBondContact O-CB 3.16Å; C432-S436 PolarHBondContact O-N 2.78Å; C432-S436 PolarHBondContact O-OG 3.3Å; M433-S436 PolarHBondContact O-OG 2.84Å
437T86.1Confident88.7Confident14 Ų1466.1 Ų66.19%0.08634%0.335CS..SBendtrans-55.2137.4172.352.30000111.3K369 L434 R435 E441 V443K369-T437 WeakPolarHBondContact CD-O 3.24Å; K369-T437 WeakPolarHBondContact CD-OG1 3.41Å; K369-T437 VanDerWaalsContact CE-O 3.29Å; K369-T437 WeakPolarHBondContact CE-O 3.31Å; K369-T437 PolarHBondContact NZ-O 2.99Å; K369-T437 PolarHBondContact NZ-OG1 3.47Å; L434-T437 PolarHBondContact O-OG1 3.42Å; R435-T437 VanDerWaalsContact C-N 3.34Å; R435-T437 PolarHBondContact O-N 3.41Å; T437-E441 WeakPolarHBondContact CA-OE2 3.39Å; T437-V443 HydrophobicContact CG2-CG2 3.72Å
438R85.6Confident88.8Confident187 Ų18764.2 Ų64.271%0.70633%0.327SS*.PPolyproline II helixtrans-79.1159.6-176.1-53.9-178.2-177.3-137.7-3.3111.5G440 E441R438-G440 PolarHBondContact O-N 2.82Å; R438-E441 VanDerWaalsContact CB-CD 3.48Å; R438-E441 HydrophobicContact CB-CG 3.97Å; R438-E441 WeakPolarHBondContact CB-OE1 3.2Å; R438-E441 VanDerWaalsContact CD-OE1 3.24Å; R438-E441 WeakPolarHBondContact CD-OE1 3.45Å; R438-E441 WeakPolarHBondContact CG-OE1 3.48Å; R438-E441 VanDerWaalsContact N-CD 3.35Å; R438-E441 PolarHBondContact N-OE2 2.87Å; R438-E441 IonicContact NE-OE1 2.96Å; R438-E441 WeakPolarHBondContact O-CB 3.34Å; R438-E441 PolarHBondContact O-N 2.81Å; R438-E441 VanDerWaalsContact O-N 3.12Å
439Q85.7Confident88.9Confident145 Ų14558.5 Ų58.568%0.67830%0.298SS*.THydrogen-bonded Turntrans-60.8132.8169.5-63.2-173.631.600109.1
440G80.6Confident88.5Confident41 Ų4158 Ų5842%0.42330%0.296SS..THydrogen-bonded Turntrans87.1-12.2-17400000115.7K368 K369 R438K368-G440 WeakPolarHBondContact CE-O 3.32Å; K369-G440 PolarHBondContact O-N 3.37Å; R438-G440 PolarHBondContact O-N 2.82Å
441E89.4Confident87.2Confident83 Ų8360.4 Ų60.439%0.38831%0.309SS..  trans-76.6155.8171.5-71.6174.3-175.200111.6K368 K369 T437 R438K368-E441 CarbonylContact C-O 3.55Å; K368-E441 WeakPolarHBondContact CA-O 3.28Å; K369-E441 PolarHBondContact N-O 2.93Å; T437-E441 WeakPolarHBondContact CA-OE2 3.39Å; R438-E441 VanDerWaalsContact CB-CD 3.48Å; R438-E441 HydrophobicContact CB-CG 3.97Å; R438-E441 WeakPolarHBondContact CB-OE1 3.2Å; R438-E441 VanDerWaalsContact CD-OE1 3.24Å; R438-E441 WeakPolarHBondContact CD-OE1 3.45Å; R438-E441 WeakPolarHBondContact CG-OE1 3.48Å; R438-E441 VanDerWaalsContact N-CD 3.35Å; R438-E441 PolarHBondContact N-OE2 2.87Å; R438-E441 IonicContact NE-OE1 2.96Å; R438-E441 WeakPolarHBondContact O-CB 3.34Å; R438-E441 PolarHBondContact O-N 2.81Å; R438-E441 VanDerWaalsContact O-N 3.12Å
442T88.9Confident85.2Confident79 Ų7966.8 Ų66.849%0.48534%0.336SS..EExtended strand (participates in β ladder)trans-106.6133.2-179.9-56.50000110.8D366 L367D366-T442 HydrophobicContact CB-CG2 3.78Å; L367-T442 WeakPolarHBondContact O-CA 3.25Å
443V93Very high82.8Confident0 Ų068.5 Ų68.50%034%0.337CS..EExtended strand (participates in β ladder)trans-110114.9-177.8-173.10000109.8D366 L367 L374 V417 N418 L434 T437 L445D366-V443 CarbonylContact C-O 3.43Å; D366-V443 WeakPolarHBondContact CA-O 3.23Å; L367-V443 PolarHBondContact N-O 3.28Å; L367-V443 PolarHBondContact O-N 3.19Å; L374-V443 HydrophobicContact CD1-CG2 4.15Å; L374-V443 HydrophobicContact CD2-CB 4.3Å; L374-V443 HydrophobicContact CD2-CG2 3.9Å; V417-V443 HydrophobicContact CG1-CG1 3.82Å; N418-V443 WeakPolarHBondContact OD1-CA 3.14Å; L434-V443 HydrophobicContact CD2-CG1 3.92Å; T437-V443 HydrophobicContact CG2-CG2 3.72Å; V443-L445 HydrophobicContact CG1-CD2 3.83Å; V443-L445 HydrophobicContact CG1-CG 4.49Å; V443-L445 PolarHBondContact O-N 3.21Å
444S91.8Very high80.3Confident15 Ų1574 Ų7411%0.10536%0.36CS..EExtended strand (participates in β ladder)trans-85.696179.71670000110.1R364 D366 N418R364-S444 VanDerWaalsContact CZ-OG 3.27Å; R364-S444 PolarHBondContact NE-OG 2.8Å; R364-S444 VanDerWaalsContact NE-OG 3.14Å; R364-S444 PolarHBondContact NH2-OG 3.36Å; R364-S444 VanDerWaalsContact NH2-OG 3.07Å; D366-S444 VanDerWaalsContact OD1-CB 3.25Å; D366-S444 WeakPolarHBondContact OD1-CB 3.49Å; D366-S444 PolarHBondContact OD1-OG 2.85Å; N418-S444 PolarHBondContact N-O 3.26Å; N418-S444 PolarHBondContact OD1-N 2.8Å
445L94.4Very high77.7Confident0 Ų078.9 Ų78.90%039%0.386CS..EExtended strand (participates in β ladder)trans-84.7134.7173.1-52.1178.4000110R364 I365 L367 F376 L408 V417 L434 V443 V447R364-L445 CarbonylContact C-O 3.6Å; R364-L445 WeakPolarHBondContact CA-O 3.15Å; I365-L445 PolarHBondContact N-O 2.81Å; I365-L445 PolarHBondContact O-N 2.97Å; L367-L445 HydrophobicContact CD1-CD1 3.82Å; L367-L445 HydrophobicContact CG-CD1 4.4Å; F376-L445 HydrophobicContact CE1-CD1 3.98Å; F376-L445 HydrophobicContact CZ-CD1 3.82Å; L408-L445 HydrophobicContact CD1-CD1 4.17Å; L408-L445 HydrophobicContact CD2-CD1 4.13Å; V417-L445 HydrophobicContact CB-CD2 4.39Å; V417-L445 HydrophobicContact CG1-CD2 4.15Å; V417-L445 HydrophobicContact CG2-CD2 3.7Å; L434-L445 HydrophobicContact CD2-CD2 3.88Å; V443-L445 HydrophobicContact CG1-CD2 3.83Å; V443-L445 HydrophobicContact CG1-CG 4.49Å; V443-L445 PolarHBondContact O-N 3.21Å; L445-V447 HydrophobicContact CB-CG1 4.22Å
446V93.3Very high74.9Confident18 Ų1875.6 Ų75.611%0.10939%0.389CS..EExtended strand (participates in β ladder)trans-106123.5159.3-175.90000107.6L363 L415 E416L363-V446 WeakPolarHBondContact O-CA 3.43Å; L415-V446 PolarHBondContact N-O 2.83Å; E416-V446 HydrophobicContact CB-CB 3.83Å; E416-V446 HydrophobicContact CB-CG2 4.02Å; E416-V446 HydrophobicContact CG-CB 4.07Å; E416-V446 HydrophobicContact CG-CG2 4.36Å; E416-V446 PolarHBondContact N-O 2.85Å; E416-V446 VanDerWaalsContact N-O 3.08Å; E416-V446 PolarHBondContact O-N 2.89Å; E416-V446 WeakPolarHBondContact OE2-CG2 3.08Å
447V93.8Very high72.4Confident0 Ų079.5 Ų79.50%039%0.39CS..EExtended strand (participates in β ladder)trans-123.8150.7-178.7-52.60000111.1R362 L363 I365 L408 D412 R413 I414 L445R362-V447 CarbonylContact C-O 3.57Å; R362-V447 WeakPolarHBondContact CA-O 3.46Å; L363-V447 HydrophobicContact CB-CG2 3.88Å; L363-V447 PolarHBondContact N-O 3.11Å; L363-V447 PolarHBondContact O-N 2.73Å; I365-V447 HydrophobicContact CD1-CG2 3.76Å; L408-V447 HydrophobicContact CD1-CG1 3.91Å; D412-V447 HydrophobicContact CB-CB 4.11Å; D412-V447 HydrophobicContact CB-CG1 4.47Å; D412-V447 HydrophobicContact CB-CG2 4.13Å; R413-V447 CarbonylContact O-C 3.51Å; R413-V447 WeakPolarHBondContact O-CA 3.25Å; R413-V447 WeakPolarHBondContact O-CB 3.41Å; I414-V447 HydrophobicContact CG1-CG1 4.14Å; L445-V447 HydrophobicContact CB-CG1 4.22Å
448L90.4Very high70.2Confident30 Ų3086.9 Ų86.916%0.15742%0.423CS..EExtended strand (participates in β ladder)trans-105.9107.3172.2-174.374.4000108.7G360 R362 R413 L415G360-L448 WeakPolarHBondContact O-CD1 3.28Å; R362-L448 HydrophobicContact CG-CD1 3.74Å; R413-L448 HydrophobicContact CB-CB 4.38Å; R413-L448 PolarHBondContact N-O 2.64Å; R413-L448 PolarHBondContact O-N 2.95Å; L415-L448 HydrophobicContact CD1-CB 3.86Å; L415-L448 HydrophobicContact CD2-CB 4.31Å; L415-L448 HydrophobicContact CG-CB 3.95Å
449R88.7Confident67.6Low45 Ų4582.6 Ų82.617%0.1741%0.412CS..EExtended strand (participates in β ladder)trans-88.2120.8169.9-171.9164.7-61.8161.79.4108.5G360 R361 L363 R407 Q409 D412 D451G360-R449 CarbonylContact C-O 3.56Å; G360-R449 VanDerWaalsContact C-O 3.29Å; G360-R449 WeakPolarHBondContact CA-O 3.26Å; R361-R449 PolarHBondContact N-O 3.48Å; R361-R449 PolarHBondContact O-N 3.27Å; L363-R449 HydrophobicContact CD1-CB 3.95Å; R407-R449 PolarHBondContact O-NH2 2.92Å; Q409-R449 VanDerWaalsContact CD-CZ 3.48Å; Q409-R449 VanDerWaalsContact CD-NH1 3.31Å; D412-R449 VanDerWaalsContact CG-NH2 3.33Å; D412-R449 IonicContact OD1-CZ 2.84Å; D412-R449 IonicContact OD1-NE 3.86Å; D412-R449 PolarHBondContact OD1-NE 2.94Å; D412-R449 IonicContact OD1-NH2 3.68Å; D412-R449 PolarHBondContact OD1-NH2 3.46Å; D412-R449 VanDerWaalsContact OD1-NH2 3.15Å; D412-R449 IonicContact OD2-CZ 3.06Å; D412-R449 IonicContact OD2-NE 3.45Å; D412-R449 IonicContact OD2-NH2 2.69Å; D412-R449 PolarHBondContact OD2-NH2 2.88Å; R449-D451 PolarHBondContact O-N 3.47Å
450Q79.5Confident65.3Low105 Ų10584.1 Ų84.149%0.49142%0.417SS..  trans-75.992.5178.9-76.5-171.3-30.300111.1
451D60Low63.3Low51 Ų5187.3 Ų87.327%0.27342%0.424SS..SBendtrans-57.3130.4158.4-77.539.1000109.2R361 R449R361-D451 VanDerWaalsContact CD-OD2 3.31Å; R361-D451 WeakPolarHBondContact CD-OD2 3.44Å; R361-D451 WeakPolarHBondContact CG-OD2 3.31Å; R361-D451 IonicContact CZ-OD1 2.73Å; R361-D451 IonicContact CZ-OD2 3.08Å; R361-D451 IonicContact NE-OD1 2.71Å; R361-D451 PolarHBondContact NE-OD1 2.67Å; R361-D451 IonicContact NE-OD2 3.07Å; R361-D451 PolarHBondContact NE-OD2 2.73Å; R361-D451 IonicContact NH1-OD2 3.28Å; R361-D451 PolarHBondContact NH1-OD2 3.17Å; R361-D451 IonicContact NH2-OD1 3.71Å; R361-D451 PolarHBondContact NH2-OD1 3.43Å; R361-D451 IonicContact NH2-OD2 2.65Å; R361-D451 PolarHBondContact NH2-OD2 3.12Å; R361-D451 VanDerWaalsContact NH2-OD2 3.11Å; R449-D451 PolarHBondContact O-N 3.47Å
452E48.6Very low60.6Low171 Ų17190.9 Ų90.980%0.79944%0.441SS*.SBendtrans58.6104.2-158.3-56.5-48.1125.600114.5
453M38Very low57.9Low118 Ų11891.9 Ų91.958%0.58144%0.443SS*.SBendtrans76.955.5167.1-55.4-177.650.200118.9
454F35.5Very low55.1Low153 Ų15394.9 Ų94.967%0.67146%0.464SS*.  trans-147.551.8136.1-103.3-60.8000115.2
455L34.5Very low52.5Low119 Ų119104 Ų10462%0.62350%0.496SS*.SBendtrans-62.7146.2134-69.8168.6000107.5R457L455-R457 VanDerWaalsContact C-N 3.34Å; L455-R457 PolarHBondContact O-N 2.87Å
456P30.3Very low50Low121 Ų121110.8 Ų110.879%0.78653%0.532SS*.  trans-56.7107.7148.6-10.526.1000105.1E458P456-E458 PolarHBondContact O-N 3.42Å
457R31.6Very low47.5Very low175 Ų175119.9 Ų119.966%0.6656%0.564SS**  trans-54.5110-161.4176-176.9-82-156.6-6.6110.5L455 M459L455-R457 VanDerWaalsContact C-N 3.34Å; L455-R457 PolarHBondContact O-N 2.87Å; R457-M459 VanDerWaalsContact C-N 3.29Å; R457-M459 HydrophobicContact CG-CG 3.96Å; R457-M459 PolarHBondContact O-N 3.45Å
458E41.4Very low45Very low168 Ų168120.9 Ų120.979%0.78558%0.575SS**  trans-59.298160.1-69.7-174.9138.900107P456 K460P456-E458 PolarHBondContact O-N 3.42Å; E458-K460 PolarHBondContact O-N 3.15Å
459M29.5Very low42.7Very low97 Ų97122.9 Ų122.948%0.47859%0.588SS.*  trans-76.784.8175-73.5-161.1-59.100108.4R457 D461 L463 S464R457-M459 VanDerWaalsContact C-N 3.29Å; R457-M459 HydrophobicContact CG-CG 3.96Å; R457-M459 PolarHBondContact O-N 3.45Å; M459-D461 PolarHBondContact O-N 3.14Å; M459-L463 HydrophobicContact CE-CB 3.82Å; M459-L463 HydrophobicContact SD-CB 3.71Å; M459-L463 HydrophobicContact SD-CD1 4.21Å; M459-S464 PolarHBondContact O-OG 3.42Å
460K37.3Very low40.4Very low178 Ų178125.2 Ų125.277%0.77461%0.607SS**  trans-67111.5154-170.7159-171.5166.70108.8E458E458-K460 PolarHBondContact O-N 3.15Å
461D39.6Very low38.9Very low108 Ų108124 Ų12458%0.57860%0.603SS**SBendtrans55.662149.8-50.6-21.2000119.2M459M459-D461 PolarHBondContact O-N 3.14Å
462E32.5Very low38.3Very low158 Ų158131.5 Ų131.574%0.73864%0.637SS**SBendtrans-144.4-54.6137.7-84.4-140.212100112.5S464 R465E462-S464 PolarHBondContact O-N 3.31Å; E462-R465 WeakPolarHBondContact O-CB 3.3Å; E462-R465 PolarHBondContact O-N 3.25Å
463L31.6Very low38.5Very low99 Ų99128.9 Ų128.952%0.51863%0.628SS.*THydrogen-bonded Turntrans-69.4-17-178.8-120.8155.5000113.5M459 R465 L466 R467M459-L463 HydrophobicContact CE-CB 3.82Å; M459-L463 HydrophobicContact SD-CB 3.71Å; M459-L463 HydrophobicContact SD-CD1 4.21Å; L463-R465 PolarHBondContact O-N 2.87Å; L463-L466 PolarHBondContact O-N 2.74Å; L463-R467 PolarHBondContact O-N 2.93Å
464S35.3Very low39.9Very low64 Ų64125.3 Ų125.345%0.44862%0.621SS.*Hα-helixtrans-62.4-14.3169.7-46.70000113.4M459 E462 L466M459-S464 PolarHBondContact O-OG 3.42Å; E462-S464 PolarHBondContact O-N 3.31Å; S464-L466 VanDerWaalsContact C-N 3.33Å
465R36.5Very low42Very low206 Ų206120 Ų12078%0.77760%0.598SS**Hα-helixtrans-79.4-7.2171.4-68.9-175.9170.2177.1-2.7114.5E462 L463E462-R465 WeakPolarHBondContact O-CB 3.3Å; E462-R465 PolarHBondContact O-N 3.25Å; L463-R465 PolarHBondContact O-N 2.87Å
466L42.3Very low44.4Very low143 Ų143116.7 Ų116.775%0.74958%0.579SS**Hα-helixtrans-136.97-175.8-71.8175.7000115.1L463 S464L463-L466 PolarHBondContact O-N 2.74Å; S464-L466 VanDerWaalsContact C-N 3.33Å
467R39.8Very low47.1Very low208 Ų208113.8 Ų113.879%0.78556%0.555SS**Hα-helixtrans-130-3.8178.5-98-72.1-98.7-141.1-7.2117.3L463L463-R467 PolarHBondContact O-N 2.93Å
468G41.4Very low49.8Very low22 Ų22107.3 Ų107.323%0.22753%0.534CS..SBend-88126.7127.500000106.5V470G468-V470 VanDerWaalsContact C-N 3.28Å; G468-V470 PolarHBondContact O-N 3.28Å
469V42.1Very low52.2Low72 Ų72104.6 Ų104.644%0.43652%0.522SS..  trans-72.798.2160.3178.20000104.9L471 Q477V469-L471 HydrophobicContact CG1-CD1 4.01Å; V469-L471 PolarHBondContact O-N 3.39Å; V469-Q477 HydrophobicContact CB-CB 4.3Å; V469-Q477 PolarHBondContact O-N 3.07Å
470V40.8Very low55.1Low93 Ų93101 Ų10156%0.56450%0.504SS*.EExtended strand (participates in β ladder)trans-68.695160.6178.60000105G468 K475G468-V470 VanDerWaalsContact C-N 3.28Å; G468-V470 PolarHBondContact O-N 3.28Å; V470-K475 WeakPolarHBondContact CA-O 3.32Å
471L48.8Very low57.6Low80 Ų8097.1 Ų97.142%0.41949%0.489SS..EExtended strand (participates in β ladder)trans-63.2140.6173.8-152.969.9000106.7V469 N473 G474 K475V469-L471 HydrophobicContact CG1-CD1 4.01Å; V469-L471 PolarHBondContact O-N 3.39Å; L471-N473 VanDerWaalsContact CB-OD1 3.32Å; L471-N473 WeakPolarHBondContact CB-OD1 3.38Å; L471-N473 WeakPolarHBondContact CD2-OD1 3.37Å; L471-N473 WeakPolarHBondContact CG-OD1 3.46Å; L471-N473 CarbonylContact O-C 3.51Å; L471-N473 PolarHBondContact O-N 3.39Å; L471-G474 PolarHBondContact O-N 2.96Å; L471-K475 PolarHBondContact N-O 3.41Å
472E46.1Very low59.9Low208 Ų20892 Ų9297%0.97246%0.461SS*.THydrogen-bonded Turntrans-54.9-16.9-165.1-164.5173.4176.900114.4
473N54.4Low62.4Low116 Ų11686.9 Ų86.962%0.6244%0.442SS*.THydrogen-bonded Turntrans-92.922.1175.743.716.9000115L471L471-N473 VanDerWaalsContact CB-OD1 3.32Å; L471-N473 WeakPolarHBondContact CB-OD1 3.38Å; L471-N473 WeakPolarHBondContact CD2-OD1 3.37Å; L471-N473 WeakPolarHBondContact CG-OD1 3.46Å; L471-N473 CarbonylContact O-C 3.51Å; L471-N473 PolarHBondContact O-N 3.39Å
474G67.6Low64.7Low43 Ų4383 Ų8344%0.44342%0.421SS..THydrogen-bonded Turntrans80.726.1161.500000116.4L471L471-G474 PolarHBondContact O-N 2.96Å
475K78.2Confident66Low43 Ų4384.8 Ų84.819%0.18743%0.426CS..EExtended strand (participates in β ladder)trans-116.1143.1177.3-51.7-172.4177.1-158.50111.7V470 L471 L572 R573 N574V470-K475 WeakPolarHBondContact CA-O 3.32Å; L471-K475 PolarHBondContact N-O 3.41Å; K475-L572 HydrophobicContact CB-CD1 4.1Å; K475-L572 HydrophobicContact CB-CD2 4.2Å; K475-L572 HydrophobicContact CB-CG 3.73Å; K475-L572 HydrophobicContact CD-CD2 3.51Å; K475-L572 HydrophobicContact CD-CG 3.74Å; K475-L572 HydrophobicContact CG-CG 4.44Å; K475-R573 CarbonylContact C-O 3.58Å; K475-R573 VanDerWaalsContact CA-O 3.31Å; K475-R573 WeakPolarHBondContact CA-O 3.38Å; K475-R573 WeakPolarHBondContact CB-O 3.27Å; K475-N574 VanDerWaalsContact CD-OD1 3.25Å; K475-N574 WeakPolarHBondContact CD-OD1 3.34Å; K475-N574 WeakPolarHBondContact CE-OD1 3.39Å; K475-N574 WeakPolarHBondContact CG-OD1 3.32Å; K475-N574 PolarHBondContact NZ-OD1 2.98Å
476E84.5Confident66.9Low48 Ų4882.8 Ų82.822%0.22443%0.431CS..EExtended strand (participates in β ladder)trans-91.8132.6174.562.6177.3174.600111.5L478 L572 R573 L575E476-L478 HydrophobicContact CG-CD1 4.34Å; E476-L478 HydrophobicContact CG-CD2 4.33Å; E476-L478 HydrophobicContact CG-CG 4.17Å; E476-L572 WeakPolarHBondContact O-CA 3.29Å; E476-R573 HydrophobicContact CG-CB 3.81Å; E476-R573 PolarHBondContact N-O 2.67Å; E476-R573 PolarHBondContact O-N 2.89Å; E476-R573 WeakPolarHBondContact OE1-CD 3.37Å; E476-L575 HydrophobicContact CB-CD1 4.2Å; E476-L575 HydrophobicContact CB-CD2 4.34Å; E476-L575 HydrophobicContact CB-CG 4.12Å; E476-L575 HydrophobicContact CG-CD2 4Å; E476-L575 HydrophobicContact CG-CG 4.06Å
477Q87.6Confident67.1Low60 Ų6080.4 Ų80.428%0.2842%0.422SS..EExtended strand (participates in β ladder)trans-93118.3170.7-175169.829.200110.5V469 I534 V570 V571 L572V469-Q477 HydrophobicContact CB-CB 4.3Å; V469-Q477 PolarHBondContact O-N 3.07Å; Q477-I534 HydrophobicContact CB-CD1 4.48Å; Q477-I534 HydrophobicContact CG-CD1 3.73Å; Q477-V570 HydrophobicContact CG-CG1 3.83Å; Q477-V571 CarbonylContact C-O 3.44Å; Q477-V571 WeakPolarHBondContact CA-O 3.48Å; Q477-L572 HydrophobicContact CB-CD1 3.88Å
478L89.4Confident67.7Low40 Ų4074 Ų7421%0.20942%0.422CS..EExtended strand (participates in β ladder)trans-114.3152.7-179.4-55.6177.6000110.4E476 F480 V570 V571E476-L478 HydrophobicContact CG-CD1 4.34Å; E476-L478 HydrophobicContact CG-CD2 4.33Å; E476-L478 HydrophobicContact CG-CG 4.17Å; L478-F480 HydrophobicContact CB-CE1 4.35Å; L478-F480 HydrophobicContact CB-CE2 4.1Å; L478-F480 HydrophobicContact CB-CZ 3.82Å; L478-F480 HydrophobicContact CD1-CE2 4.42Å; L478-F480 HydrophobicContact CD1-CZ 3.79Å; L478-F480 HydrophobicContact CG-CZ 4.44Å; L478-V570 CarbonylContact O-C 3.58Å; L478-V570 WeakPolarHBondContact O-CA 3.45Å; L478-V570 WeakPolarHBondContact O-CG1 3.31Å; L478-V571 HydrophobicContact CB-CG2 3.93Å; L478-V571 PolarHBondContact N-O 2.79Å; L478-V571 PolarHBondContact O-N 2.83Å
479M91.3Very high68.2Low110 Ų11077.9 Ų77.954%0.54245%0.445SS..EExtended strand (participates in β ladder)trans-129.6127.6175.7-176.3-179.978.400109.9Q568 L569 V570M479-Q568 HydrophobicContact CG-CG 4.15Å; M479-Q568 HydrophobicContact SD-CG 4.31Å; M479-L569 WeakPolarHBondContact CA-O 3.15Å; M479-V570 HydrophobicContact CG-CG2 4.16Å
480F90.3Very high68.8Low22 Ų2276.7 Ų76.710%0.09644%0.443CS..EExtended strand (participates in β ladder)trans-122.1151.3179.7-54.8-54.8000110.4L478 V482 R526 L527 Q568 L569 V571L478-F480 HydrophobicContact CB-CE1 4.35Å; L478-F480 HydrophobicContact CB-CE2 4.1Å; L478-F480 HydrophobicContact CB-CZ 3.82Å; L478-F480 HydrophobicContact CD1-CE2 4.42Å; L478-F480 HydrophobicContact CD1-CZ 3.79Å; L478-F480 HydrophobicContact CG-CZ 4.44Å; F480-V482 HydrophobicContact CB-CG2 4.26Å; F480-R526 HydrophobicContact CD1-CB 3.74Å; F480-R526 HydrophobicContact CD1-CG 4.48Å; F480-R526 HydrophobicContact CE1-CB 3.59Å; F480-R526 HydrophobicContact CE1-CG 4.43Å; F480-R526 HydrophobicContact CE2-CB 4.47Å; F480-R526 HydrophobicContact CG-CB 4.27Å; F480-R526 HydrophobicContact CZ-CB 3.97Å; F480-R526 WeakPolarHBondContact CZ-O 3.5Å; F480-L527 HydrophobicContact CD2-CD2 3.57Å; F480-L527 HydrophobicContact CD2-CG 4.1Å; F480-L527 HydrophobicContact CE2-CD2 3.98Å; F480-Q568 CarbonylContact O-C 3.56Å; F480-Q568 WeakPolarHBondContact O-CA 3.37Å; F480-L569 PolarHBondContact N-O 3.09Å; F480-L569 PolarHBondContact O-N 3.02Å; F480-V571 HydrophobicContact CD2-CG2 4.18Å; F480-V571 HydrophobicContact CE2-CG2 3.65Å
481E89.6Confident70.4Confident97 Ų9774.7 Ų74.745%0.45344%0.441SS..EExtended strand (participates in β ladder)trans-129.1103.6174.1-166.7-177173.200106.3R526 M566 I567E481-R526 PolarHBondContact O-NH2 2.84Å; E481-M566 HydrophobicContact CB-CE 4.48Å; E481-M566 HydrophobicContact CG-CB 4.4Å; E481-M566 HydrophobicContact CG-CE 3.78Å; E481-I567 WeakPolarHBondContact CA-O 3.47Å
482V88.4Confident72.1Confident0 Ų071 Ų710%042%0.422CS..EExtended strand (participates in β ladder)trans-105.2126.7-166.5179.30000109.1F480 L484 L492 A520 D524 L527 M566 I567 L569F480-V482 HydrophobicContact CB-CG2 4.26Å; V482-L484 PolarHBondContact O-N 2.79Å; V482-L492 HydrophobicContact CB-CD1 4.32Å; V482-L492 HydrophobicContact CG1-CD1 3.86Å; V482-A520 HydrophobicContact CG1-CB 4.14Å; V482-D524 HydrophobicContact CG1-CB 4.03Å; V482-D524 HydrophobicContact CG2-CB 4.47Å; V482-L527 HydrophobicContact CG2-CD1 4.25Å; V482-M566 WeakPolarHBondContact O-CA 3.48Å; V482-I567 HydrophobicContact CB-CG2 4.09Å; V482-I567 PolarHBondContact N-O 2.9Å; V482-I567 PolarHBondContact O-N 3.38Å; V482-L569 HydrophobicContact CG2-CD1 4.26Å
483P83.9Confident74.1Confident51 Ų5161.4 Ų61.433%0.33138%0.378SS..EExtended strand (participates in β ladder)trans-69.2124.5176.927.7-33.3000111.3A520 M566P483-A520 WeakPolarHBondContact O-CB 3.49Å; P483-M566 VanDerWaalsContact CA-SD 3.55Å; P483-M566 HydrophobicContact CB-CE 4.19Å; P483-M566 HydrophobicContact CB-SD 3.73Å
484L80.1Confident75.7Confident16 Ų1657 Ų578%0.08435%0.354CS..  trans-97.387.9172.2-68.6-176.2000108.7V482 L492 A520 M557 N562 G565 I567V482-L484 PolarHBondContact O-N 2.79Å; L484-L492 HydrophobicContact CD2-CB 4.04Å; L484-L492 HydrophobicContact CD2-CD1 4.12Å; L484-A520 HydrophobicContact CD2-CB 4.08Å; L484-M557 HydrophobicContact CD1-CG 4.37Å; L484-N562 WeakPolarHBondContact CD1-ND2 3.44Å; L484-G565 PolarHBondContact N-O 2.65Å; L484-I567 HydrophobicContact CD1-CB 3.73Å; L484-I567 HydrophobicContact CD1-CD1 4.41Å; L484-I567 HydrophobicContact CD1-CG2 3.83Å; L484-I567 HydrophobicContact CD2-CG2 3.95Å; L484-I567 HydrophobicContact CG-CB 4.1Å; L484-I567 HydrophobicContact CG-CG2 3.76Å
485N63Low76.7Confident102 Ų10256.7 Ų56.755%0.54535%0.346SS..  trans-64.1149.8175.9-65.622.2000111.7T487N485-T487 PolarHBondContact O-N 3.07Å
486D55.3Low77.3Confident164 Ų16456.5 Ų56.588%0.87735%0.346SS*.SBendtrans-67.514.6178.3-38.8-71.7000114.6G488D486-G488 PolarHBondContact O-N 3.01Å
487T47Very low77.5Confident93 Ų9359.9 Ų59.957%0.57136%0.36SS*.  trans-80.272.8178.6-360000109.6N485 S489N485-T487 PolarHBondContact O-N 3.07Å; T487-S489 VanDerWaalsContact C-N 3.34Å; T487-S489 PolarHBondContact O-N 2.73Å
488G52.9Low77.5Confident75 Ų7558.2 Ų58.277%0.77336%0.359SS*.THydrogen-bonded Turntrans-66.374.2-168.700000115.7D486D486-G488 PolarHBondContact O-N 3.01Å
489S50.1Low77.1Confident102 Ų10258.4 Ų58.471%0.71336%0.36SS*.THydrogen-bonded Turntrans-149.2-26.4168.6-40.40000114.1T487T487-S489 VanDerWaalsContact C-N 3.34Å; T487-S489 PolarHBondContact O-N 2.73Å
490A54.8Low76.6Confident47 Ų4759.5 Ų59.539%0.38836%0.362SS..SBendtrans-118.6-12.2-176.800000114.7L492 G493A490-L492 PolarHBondContact O-N 3.37Å; A490-G493 WeakPolarHBondContact O-CA 3.49Å; A490-G493 PolarHBondContact O-N 3.46Å
491G75.1Confident75.8Confident51 Ų5159.5 Ų59.553%0.52637%0.365SS..THydrogen-bonded Turntrans50.6-133.7-175.200000112.8G493 A520G491-G493 PolarHBondContact O-N 2.86Å; G491-A520 WeakPolarHBondContact O-CB 3.5Å; G491-A520 PolarHBondContact O-N 2.69Å
492L85.5Confident74.6Confident4 Ų466.8 Ų66.82%0.02139%0.388CS..THydrogen-bonded Turntrans-64.5-26.6174.3-178.256000112.9V482 L484 A490 I494 A520 A521 L553 M557 I567 L569V482-L492 HydrophobicContact CB-CD1 4.32Å; V482-L492 HydrophobicContact CG1-CD1 3.86Å; L484-L492 HydrophobicContact CD2-CB 4.04Å; L484-L492 HydrophobicContact CD2-CD1 4.12Å; A490-L492 PolarHBondContact O-N 3.37Å; L492-I494 HydrophobicContact CD2-CD1 3.5Å; L492-I494 HydrophobicContact CD2-CG1 3.89Å; L492-I494 HydrophobicContact CG-CD1 4.04Å; L492-I494 HydrophobicContact CG-CG1 4.02Å; L492-I494 HydrophobicContact CG-CG2 4.43Å; L492-A520 PolarHBondContact O-N 2.88Å; L492-A521 HydrophobicContact CD1-CB 4.13Å; L492-A521 WeakPolarHBondContact O-CB 3.45Å; L492-A521 PolarHBondContact O-N 3.39Å; L492-L553 HydrophobicContact CD2-CD1 4.33Å; L492-M557 HydrophobicContact CB-SD 3.46Å; L492-M557 WeakPolarHBondContact CB-SD 3.35Å; L492-M557 HydrophobicContact CD2-SD 4.04Å; L492-M557 HydrophobicContact CG-SD 4.43Å; L492-I567 HydrophobicContact CD1-CG2 3.97Å; L492-I567 HydrophobicContact CD2-CG2 4.47Å; L492-L569 HydrophobicContact CD1-CD1 4.21Å; L492-L569 HydrophobicContact CD2-CD1 3.88Å; L492-L569 HydrophobicContact CD2-CD2 4.45Å
493G86.1Confident73.6Confident5 Ų575.9 Ų75.95%0.05243%0.431CS..  trans70.335.8176.800000115A490 G491 I516A490-G493 WeakPolarHBondContact O-CA 3.49Å; A490-G493 PolarHBondContact O-N 3.46Å; G491-G493 PolarHBondContact O-N 2.86Å; G493-I516 PolarHBondContact O-N 3.03Å
494I89.6Confident72.9Confident24 Ų2477.8 Ų77.812%0.12344%0.442CS..EExtended strand (participates in β ladder)trans-121136.2171.263.9-177.8000110.6L492 L496 I512 I515 A521 L527L492-I494 HydrophobicContact CD2-CD1 3.5Å; L492-I494 HydrophobicContact CD2-CG1 3.89Å; L492-I494 HydrophobicContact CG-CD1 4.04Å; L492-I494 HydrophobicContact CG-CG1 4.02Å; L492-I494 HydrophobicContact CG-CG2 4.43Å; I494-L496 HydrophobicContact CD1-CD1 4.24Å; I494-L496 HydrophobicContact CD1-CD2 3.96Å; I494-L496 HydrophobicContact CD1-CG 4.26Å; I494-L496 HydrophobicContact CG1-CD1 4.27Å; I494-L496 HydrophobicContact CG1-CD2 4.32Å; I494-L496 HydrophobicContact CG1-CG 4.15Å; I494-I512 HydrophobicContact CD1-CD1 4.12Å; I494-I512 HydrophobicContact CD1-CG1 4.34Å; I494-I512 HydrophobicContact CG2-CD1 4.39Å; I494-I515 HydrophobicContact CG2-CG1 4.2Å; I494-I515 HydrophobicContact CG2-CG2 4.41Å; I494-A521 HydrophobicContact CG2-CB 3.33Å; I494-L527 HydrophobicContact CG2-CD1 4.41Å
495S88.4Confident72.4Confident37 Ų3779.6 Ų79.626%0.25946%0.464SS..EExtended strand (participates in β ladder)trans-89.3139.2165.8-170.50000108.8K513 S514S495-K513 PolarHBondContact O-N 2.96Å; S495-S514 WeakPolarHBondContact CB-OG 3.47Å; S495-S514 PolarHBondContact N-O 3.33Å; S495-S514 PolarHBondContact O-N 3.08Å
496L90.8Very high72.8Confident39 Ų3980.3 Ų80.320%0.20446%0.464CS..EExtended strand (participates in β ladder)trans-124.6146.2-173.5-68.6165.5000110.9I494 I510 F511 I512 L553I494-L496 HydrophobicContact CD1-CD1 4.24Å; I494-L496 HydrophobicContact CD1-CD2 3.96Å; I494-L496 HydrophobicContact CD1-CG 4.26Å; I494-L496 HydrophobicContact CG1-CD1 4.27Å; I494-L496 HydrophobicContact CG1-CD2 4.32Å; I494-L496 HydrophobicContact CG1-CG 4.15Å; L496-I510 HydrophobicContact CB-CG2 3.76Å; L496-I510 HydrophobicContact CD1-CG2 4.28Å; L496-I510 HydrophobicContact CD2-CG2 3.73Å; L496-I510 HydrophobicContact CG-CG2 4.13Å; L496-F511 CarbonylContact C-O 3.58Å; L496-F511 WeakPolarHBondContact CA-O 3.32Å; L496-I512 HydrophobicContact CD2-CG1 3.88Å; L496-L553 HydrophobicContact CD1-CD2 3.16Å
497K88.3Confident73.8Confident118 Ų11875.1 Ų75.151%0.51344%0.436SS..EExtended strand (participates in β ladder)trans-128.3118.7176-176.7-173.5178.6-160.50109.3N499 F511 K513K497-N499 WeakPolarHBondContact CD-OD1 3.49Å; K497-N499 WeakPolarHBondContact CE-OD1 3.11Å; K497-N499 PolarHBondContact NZ-OD1 3.41Å; K497-N499 PolarHBondContact O-N 2.82Å; K497-F511 PolarHBondContact N-O 3.38Å; K497-F511 PolarHBondContact O-N 3.08Å; K497-K513 HydrophobicContact CB-CB 4.22Å
498G87Confident75.1Confident26 Ų2674.8 Ų74.827%0.26843%0.431SS..EExtended strand (participates in β ladder)trans-71.1119.8162.500000109.7N546G498-N546 VanDerWaalsContact CA-CG 3.44Å; G498-N546 WeakPolarHBondContact CA-OD1 3.4Å
499N81.9Confident76.6Confident43 Ų4372 Ų7223%0.2340%0.402CS..EExtended strand (participates in β ladder)trans-91.5142.8172.7-77.8-36.7000109.6K497 L508 G509 F511 N546K497-N499 WeakPolarHBondContact CD-OD1 3.49Å; K497-N499 WeakPolarHBondContact CE-OD1 3.11Å; K497-N499 PolarHBondContact NZ-OD1 3.41Å; K497-N499 PolarHBondContact O-N 2.82Å; N499-L508 HydrophobicContact CB-CB 4.12Å; N499-L508 PolarHBondContact O-N 3.1Å; N499-G509 PolarHBondContact N-O 2.89Å; N499-F511 HydrophobicContact CB-CD2 3.97Å; N499-F511 HydrophobicContact CB-CE2 3.84Å; N499-F511 WeakPolarHBondContact ND2-CD2 3.45Å; N499-F511 WeakPolarHBondContact ND2-CE2 3.3Å; N499-N546 PolarHBondContact O-ND2 3.34Å
500K79.9Confident78.5Confident134 Ų13467.3 Ų67.358%0.58337%0.369SS*.EExtended strand (participates in β ladder)trans-122.3142.6172.8-61.2-172.1179.8-94.90109.2R502 E506 D507K500-R502 PolarHBondContact O-N 2.79Å; K500-E506 CarbonylContact C-O 3.53Å; K500-E506 WeakPolarHBondContact CA-O 3.24Å; K500-D507 WeakPolarHBondContact CE-OD1 3.36Å; K500-D507 WeakPolarHBondContact CG-OD1 3.38Å; K500-D507 IonicContact NZ-OD1 3.75Å; K500-D507 PolarHBondContact NZ-OD1 2.97Å; K500-D507 IonicContact NZ-OD2 3.85Å
501S74.4Confident80.2Confident22 Ų2266.5 Ų66.515%0.15436%0.357CS..  trans-65.2125.6173.5179.10000109.5E503 T504 G505 E506S501-E503 PolarHBondContact O-N 3.38Å; S501-E503 PolarHBondContact OG-N 3.27Å; S501-T504 WeakPolarHBondContact CB-OG1 3.36Å; S501-T504 PolarHBondContact OG-N 2.78Å; S501-T504 PolarHBondContact OG-OG1 2.93Å; S501-G505 VanDerWaalsContact O-CA 3.22Å; S501-G505 WeakPolarHBondContact O-CA 2.94Å; S501-G505 PolarHBondContact O-N 2.93Å; S501-E506 PolarHBondContact N-O 2.85Å
502R64.3Low81.1Confident250 Ų25064.1 Ų64.194%0.94333%0.332SS*.THydrogen-bonded Turntrans-70.1-21.8176.8-172.4175.6178.7-176.5-0.4112.3K500K500-R502 PolarHBondContact O-N 2.79Å
503E67.9Low81.3Confident191 Ų19170.4 Ų70.489%0.89336%0.359SS*.THydrogen-bonded Turntrans-100.9-40.2-175.6-62.4179.9164.900112.2S501S501-E503 PolarHBondContact O-N 3.38Å; S501-E503 PolarHBondContact OG-N 3.27Å
504T67.8Low81.6Confident91 Ų9172.2 Ų72.256%0.55837%0.371SS*.THydrogen-bonded Turntrans-99.2-15.2178.620.70000115.1S501 E506S501-T504 WeakPolarHBondContact CB-OG1 3.36Å; S501-T504 PolarHBondContact OG-N 2.78Å; S501-T504 PolarHBondContact OG-OG1 2.93Å; T504-E506 WeakPolarHBondContact CB-OE2 3.46Å; T504-E506 WeakPolarHBondContact CG2-OE2 3.34Å; T504-E506 PolarHBondContact O-N 3.47Å; T504-E506 VanDerWaalsContact O-N 3.15Å; T504-E506 PolarHBondContact OG1-OE2 2.75Å
505G69.3Low81.6Confident53 Ų5372.5 Ų72.555%0.54637%0.373SS..  trans73-8.2-17300000115.4S501S501-G505 VanDerWaalsContact O-CA 3.22Å; S501-G505 WeakPolarHBondContact O-CA 2.94Å; S501-G505 PolarHBondContact O-N 2.93Å
506E71.6Confident81.6Confident117 Ų11775 Ų7555%0.54738%0.382SS..  trans-62142-178.6-69.2164.4148.400112.8K500 S501 T504 L508K500-E506 CarbonylContact C-O 3.53Å; K500-E506 WeakPolarHBondContact CA-O 3.24Å; S501-E506 PolarHBondContact N-O 2.85Å; T504-E506 WeakPolarHBondContact CB-OE2 3.46Å; T504-E506 WeakPolarHBondContact CG2-OE2 3.34Å; T504-E506 PolarHBondContact O-N 3.47Å; T504-E506 VanDerWaalsContact O-N 3.15Å; T504-E506 PolarHBondContact OG1-OE2 2.75Å; E506-L508 PolarHBondContact O-N 2.91Å
507D76.4Confident81.1Confident56 Ų5680 Ų8030%0.29940%0.404SS..EExtended strand (participates in β ladder)trans-71.9107.9173-81-25.8000109.8K500 G509 S545 N546K500-D507 WeakPolarHBondContact CE-OD1 3.36Å; K500-D507 WeakPolarHBondContact CG-OD1 3.38Å; K500-D507 IonicContact NZ-OD1 3.75Å; K500-D507 PolarHBondContact NZ-OD1 2.97Å; K500-D507 IonicContact NZ-OD2 3.85Å; D507-G509 PolarHBondContact O-N 2.88Å; D507-G509 VanDerWaalsContact O-N 3.17Å; D507-S545 WeakPolarHBondContact OD2-CA 3.45Å; D507-S545 WeakPolarHBondContact OD2-CB 3.19Å; D507-N546 WeakPolarHBondContact CB-ND2 3.47Å; D507-N546 PolarHBondContact OD1-ND2 2.86Å; D507-N546 PolarHBondContact OD2-N 3.11Å
508L74.2Confident80.6Confident86 Ų8676 Ų7645%0.4540%0.396SS..EExtended strand (participates in β ladder)trans-76.56.7178.5-63.4174.2000113.2N499 E506 F511 Q532N499-L508 HydrophobicContact CB-CB 4.12Å; N499-L508 PolarHBondContact O-N 3.1Å; E506-L508 PolarHBondContact O-N 2.91Å; L508-F511 WeakPolarHBondContact O-CE2 3.38Å; L508-Q532 PolarHBondContact O-NE2 3.41Å
509G84.6Confident80.5Confident17 Ų1774.8 Ų74.818%0.17538%0.384CS..EExtended strand (participates in β ladder)trans84.9-179-176.900000114.4N499 D507 F511 N546N499-G509 PolarHBondContact N-O 2.89Å; D507-G509 PolarHBondContact O-N 2.88Å; D507-G509 VanDerWaalsContact O-N 3.17Å; G509-F511 VanDerWaalsContact O-CD2 3.3Å; G509-F511 WeakPolarHBondContact O-CD2 3.07Å; G509-F511 VanDerWaalsContact O-CE2 3.32Å; G509-F511 WeakPolarHBondContact O-CE2 3.42Å; G509-N546 PolarHBondContact O-OD1 3.41Å; G509-N546 VanDerWaalsContact O-OD1 3.12Å
510I90.6Very high80.7Confident2 Ų273.3 Ų73.31%0.0138%0.378CS..EExtended strand (participates in β ladder)trans-95.2140.2-174.3-57.6-179.5000110.4L496 Q532 L533 A549 M550L496-I510 HydrophobicContact CB-CG2 3.76Å; L496-I510 HydrophobicContact CD1-CG2 4.28Å; L496-I510 HydrophobicContact CD2-CG2 3.73Å; L496-I510 HydrophobicContact CG-CG2 4.13Å; I510-Q532 CarbonylContact O-C 3.56Å; I510-Q532 WeakPolarHBondContact O-CA 3.42Å; I510-L533 HydrophobicContact CB-CB 4.4Å; I510-L533 PolarHBondContact O-N 2.87Å; I510-A549 VanDerWaalsContact CD1-C 3.49Å; I510-A549 HydrophobicContact CD1-CB 3.39Å; I510-A549 HydrophobicContact CG1-CB 4.11Å; I510-M550 HydrophobicContact CD1-CB 4.33Å; I510-M550 HydrophobicContact CD1-CG 3.55Å; I510-M550 HydrophobicContact CG1-CG 4.5Å
511F91.4Very high81.2Confident31 Ų3167 Ų6714%0.13635%0.35CS..EExtended strand (participates in β ladder)trans-130149178.6-61.8-104.6000111.2L496 K497 N499 L508 G509 K513 D531 Q532L496-F511 CarbonylContact C-O 3.58Å; L496-F511 WeakPolarHBondContact CA-O 3.32Å; K497-F511 PolarHBondContact N-O 3.38Å; K497-F511 PolarHBondContact O-N 3.08Å; N499-F511 HydrophobicContact CB-CD2 3.97Å; N499-F511 HydrophobicContact CB-CE2 3.84Å; N499-F511 WeakPolarHBondContact ND2-CD2 3.45Å; N499-F511 WeakPolarHBondContact ND2-CE2 3.3Å; L508-F511 WeakPolarHBondContact O-CE2 3.38Å; G509-F511 VanDerWaalsContact O-CD2 3.3Å; G509-F511 WeakPolarHBondContact O-CD2 3.07Å; G509-F511 VanDerWaalsContact O-CE2 3.32Å; G509-F511 WeakPolarHBondContact O-CE2 3.42Å; F511-K513 PolarHBondContact O-N 3.42Å; F511-D531 CarbonylContact C-O 3.51Å; F511-D531 VanDerWaalsContact CA-O 3.3Å; F511-D531 WeakPolarHBondContact CA-O 3.48Å; F511-Q532 HydrophobicContact CD1-CB 3.67Å; F511-Q532 HydrophobicContact CD1-CG 3.94Å; F511-Q532 HydrophobicContact CD2-CG 4.4Å; F511-Q532 HydrophobicContact CE1-CB 3.52Å; F511-Q532 HydrophobicContact CE1-CG 3.53Å; F511-Q532 HydrophobicContact CE2-CG 4.01Å; F511-Q532 HydrophobicContact CG-CB 4.39Å; F511-Q532 HydrophobicContact CG-CG 4.36Å; F511-Q532 HydrophobicContact CZ-CB 4.12Å; F511-Q532 HydrophobicContact CZ-CG 3.56Å
512I92.3Very high81.8Confident1 Ų171.3 Ų71.31%0.00536%0.364CS..EExtended strand (participates in β ladder)trans-71.3115.1172.9-60.9-172.6000109.7I494 L496 I515 L527 H528 N530 D531I494-I512 HydrophobicContact CD1-CD1 4.12Å; I494-I512 HydrophobicContact CD1-CG1 4.34Å; I494-I512 HydrophobicContact CG2-CD1 4.39Å; L496-I512 HydrophobicContact CD2-CG1 3.88Å; I512-I515 HydrophobicContact CG2-CD1 4.37Å; I512-I515 HydrophobicContact CG2-CG1 3.82Å; I512-L527 HydrophobicContact CD1-CB 4.13Å; I512-L527 HydrophobicContact CD1-CD2 3.96Å; I512-L527 HydrophobicContact CD1-CG 4.47Å; I512-H528 WeakPolarHBondContact CB-O 3.43Å; I512-N530 PolarHBondContact O-N 3.12Å; I512-D531 HydrophobicContact CB-CB 4.49Å; I512-D531 HydrophobicContact CD1-CB 4Å; I512-D531 HydrophobicContact CG1-CB 4.2Å; I512-D531 PolarHBondContact N-O 3.19Å
513K91.3Very high82.8Confident135 Ų13565.9 Ų65.959%0.58735%0.347SS*.EExtended strand (participates in β ladder)trans-82.9-40.7177.8-178.4-169.5172.3-165.50111.6S495 K497 F511S495-K513 PolarHBondContact O-N 2.96Å; K497-K513 HydrophobicContact CB-CB 4.22Å; F511-K513 PolarHBondContact O-N 3.42Å
514S91.2Very high83.7Confident44 Ų4458.6 Ų58.631%0.30831%0.314SS..EExtended strand (participates in β ladder)trans-160.1165.2177.265.80000110.7S495S495-S514 WeakPolarHBondContact CB-OG 3.47Å; S495-S514 PolarHBondContact N-O 3.33Å; S495-S514 PolarHBondContact O-N 3.08Å
515I90.2Very high84.6Confident30 Ų3056.4 Ų56.415%0.15431%0.31CS..EExtended strand (participates in β ladder)trans-122.9124.5175.9-55.2-177.4000108I494 I512 A521 Y522 L527I494-I515 HydrophobicContact CG2-CG1 4.2Å; I494-I515 HydrophobicContact CG2-CG2 4.41Å; I512-I515 HydrophobicContact CG2-CD1 4.37Å; I512-I515 HydrophobicContact CG2-CG1 3.82Å; I515-A521 HydrophobicContact CG2-CB 4.04Å; I515-Y522 HydrophobicContact CG2-CD2 4.5Å; I515-L527 HydrophobicContact CD1-CB 4.06Å; I515-L527 WeakPolarHBondContact CD1-O 3.39Å
516I87.5Confident85.5Confident89 Ų8958.8 Ų58.846%0.45630%0.302SS..  trans-81.3123.3-172.6-57.3176.8000109G493 G518 G519 Y522G493-I516 PolarHBondContact O-N 3.03Å; I516-G518 PolarHBondContact O-N 2.71Å; I516-G519 PolarHBondContact O-N 3.46Å; I516-Y522 VanDerWaalsContact O-CB 3.26Å; I516-Y522 WeakPolarHBondContact O-CB 3.3Å
517H81.9Confident86.5Confident144 Ų14453.4 Ų53.467%0.66728%0.277SS*.THydrogen-bonded Turntrans-60.6130.2-177.7-7347.7000110.7G519 Y522H517-G519 VanDerWaalsContact C-N 3.32Å; H517-G519 PolarHBondContact O-N 2.82Å; H517-Y522 HydrophobicContact CB-CD2 4.32Å; H517-Y522 HydrophobicContact CB-CE2 4.19Å; H517-Y522 AromaticContact CD2-CE2 3.43Å; H517-Y522 VanDerWaalsContact CD2-CE2 3.43Å; H517-Y522 WeakPolarHBondContact CD2-CE2 3.45Å; H517-Y522 AromaticContact CD2-CZ 3.56Å; H517-Y522 PolarHBondContact CD2-OH 3.11Å; H517-Y522 AromaticContact CE1-CE2 3.75Å; H517-Y522 AromaticContact CG-CD2 3.96Å; H517-Y522 AromaticContact CG-CE2 3.53Å; H517-Y522 AromaticContact CG-CZ 3.92Å; H517-Y522 AromaticContact ND1-CD2 3.97Å; H517-Y522 AromaticContact ND1-CE2 3.72Å; H517-Y522 AromaticContact NE2-CE2 3.59Å
518G77.3Confident87.2Confident34 Ų3455 Ų5535%0.35128%0.283SS..THydrogen-bonded Turntrans83.9-9.3-175.200000115.8I516 Y522 K523I516-G518 PolarHBondContact O-N 2.71Å; G518-Y522 VanDerWaalsContact N-CD1 3.27Å; G518-K523 WeakPolarHBondContact O-CE 3.17Å; G518-K523 PolarHBondContact O-NZ 3.31Å
519G84.4Confident87.9Confident1 Ų155.5 Ų55.51%0.0129%0.285CS..SBendtrans-68.5169.717000000113.3I516 H517 A521 Y522 K523I516-G519 PolarHBondContact O-N 3.46Å; H517-G519 VanDerWaalsContact C-N 3.32Å; H517-G519 PolarHBondContact O-N 2.82Å; G519-A521 PolarHBondContact O-N 2.74Å; G519-Y522 PolarHBondContact O-N 3.48Å; G519-K523 WeakPolarHBondContact O-CG 3.49Å; G519-K523 PolarHBondContact O-N 2.85Å
520A86.9Confident88.2Confident12 Ų1260.1 Ų60.110%0.09931%0.306CS..Hα-helixtrans-61.3-45.5-176.700000113V482 P483 L484 G491 L492 Y522 K523 D524V482-A520 HydrophobicContact CG1-CB 4.14Å; P483-A520 WeakPolarHBondContact O-CB 3.49Å; L484-A520 HydrophobicContact CD2-CB 4.08Å; G491-A520 WeakPolarHBondContact O-CB 3.5Å; G491-A520 PolarHBondContact O-N 2.69Å; L492-A520 PolarHBondContact O-N 2.88Å; A520-Y522 VanDerWaalsContact C-N 3.28Å; A520-Y522 PolarHBondContact O-N 2.68Å; A520-K523 PolarHBondContact O-N 2.8Å; A520-D524 WeakPolarHBondContact O-CB 3.4Å; A520-D524 PolarHBondContact O-N 2.64Å
521A89.1Confident88.3Confident0 Ų060 Ų600%031%0.305CS..Hα-helixtrans-61.5-33.5175.600000113.3L492 I494 I515 G519 G525 L527L492-A521 HydrophobicContact CD1-CB 4.13Å; L492-A521 WeakPolarHBondContact O-CB 3.45Å; L492-A521 PolarHBondContact O-N 3.39Å; I494-A521 HydrophobicContact CG2-CB 3.33Å; I515-A521 HydrophobicContact CG2-CB 4.04Å; G519-A521 PolarHBondContact O-N 2.74Å; A521-G525 PolarHBondContact O-N 3.16Å; A521-L527 HydrophobicContact CB-CD1 3.57Å
522Y87.5Confident88.3Confident113 Ų11359.6 Ų59.644%0.44330%0.304SS..Hα-helixtrans-71.7-40.4174.9-176.6-89.3000112.1I515 I516 H517 G518 G519 A520 D524I515-Y522 HydrophobicContact CG2-CD2 4.5Å; I516-Y522 VanDerWaalsContact O-CB 3.26Å; I516-Y522 WeakPolarHBondContact O-CB 3.3Å; H517-Y522 HydrophobicContact CB-CD2 4.32Å; H517-Y522 HydrophobicContact CB-CE2 4.19Å; H517-Y522 AromaticContact CD2-CE2 3.43Å; H517-Y522 VanDerWaalsContact CD2-CE2 3.43Å; H517-Y522 WeakPolarHBondContact CD2-CE2 3.45Å; H517-Y522 AromaticContact CD2-CZ 3.56Å; H517-Y522 PolarHBondContact CD2-OH 3.11Å; H517-Y522 AromaticContact CE1-CE2 3.75Å; H517-Y522 AromaticContact CG-CD2 3.96Å; H517-Y522 AromaticContact CG-CE2 3.53Å; H517-Y522 AromaticContact CG-CZ 3.92Å; H517-Y522 AromaticContact ND1-CD2 3.97Å; H517-Y522 AromaticContact ND1-CE2 3.72Å; H517-Y522 AromaticContact NE2-CE2 3.59Å; G518-Y522 VanDerWaalsContact N-CD1 3.27Å; G519-Y522 PolarHBondContact O-N 3.48Å; A520-Y522 VanDerWaalsContact C-N 3.28Å; A520-Y522 PolarHBondContact O-N 2.68Å; Y522-D524 VanDerWaalsContact C-N 3.26Å; Y522-D524 PolarHBondContact O-N 2.98Å
523K84.8Confident88.2Confident137 Ų13759.8 Ų59.860%0.59631%0.305SS*.Hα-helixtrans-65.7-30174.3-74162.3170.9150.10112.4G518 G519 A520G518-K523 WeakPolarHBondContact O-CE 3.17Å; G518-K523 PolarHBondContact O-NZ 3.31Å; G519-K523 WeakPolarHBondContact O-CG 3.49Å; G519-K523 PolarHBondContact O-N 2.85Å; A520-K523 PolarHBondContact O-N 2.8Å
524D87.2Confident88.2Confident37 Ų3753.8 Ų53.820%0.19828%0.279CS..Hα-helixtrans-80.5-39.6176.7-172.989.1000113.1V482 A520 Y522 R526V482-D524 HydrophobicContact CG1-CB 4.03Å; V482-D524 HydrophobicContact CG2-CB 4.47Å; A520-D524 WeakPolarHBondContact O-CB 3.4Å; A520-D524 PolarHBondContact O-N 2.64Å; Y522-D524 VanDerWaalsContact C-N 3.26Å; Y522-D524 PolarHBondContact O-N 2.98Å; D524-R526 PolarHBondContact O-N 3.15Å; D524-R526 VanDerWaalsContact O-N 3.12Å; D524-R526 IonicContact OD1-CZ 2.99Å; D524-R526 IonicContact OD1-NE 3.83Å; D524-R526 PolarHBondContact OD1-NE 1.74Å; D524-R526 IonicContact OD1-NH2 3.61Å; D524-R526 PolarHBondContact OD1-NH2 2.83Å; D524-R526 WeakPolarHBondContact OD2-CB 3.33Å; D524-R526 WeakPolarHBondContact OD2-CG 3.42Å; D524-R526 IonicContact OD2-CZ 3.49Å; D524-R526 PolarHBondContact OD2-N 2.82Å; D524-R526 IonicContact OD2-NE 2.75Å; D524-R526 PolarHBondContact OD2-NE 3.49Å; D524-R526 IonicContact OD2-NH2 3.18Å; D524-R526 PolarHBondContact OD2-NH2 2.85Å
525G85.9Confident88.2Confident46 Ų4652.3 Ų52.347%0.47427%0.27SS..  trans72.3-4171.400000116.6A521A521-G525 PolarHBondContact O-N 3.16Å
526R90.1Very high88.3Confident102 Ų10250.9 Ų50.939%0.38526%0.262SS..  trans-85.9-28.5-176.9-60.2177.4-70.2177-3.9114.1F480 E481 D524 H528 R573F480-R526 HydrophobicContact CD1-CB 3.74Å; F480-R526 HydrophobicContact CD1-CG 4.48Å; F480-R526 HydrophobicContact CE1-CB 3.59Å; F480-R526 HydrophobicContact CE1-CG 4.43Å; F480-R526 HydrophobicContact CE2-CB 4.47Å; F480-R526 HydrophobicContact CG-CB 4.27Å; F480-R526 HydrophobicContact CZ-CB 3.97Å; F480-R526 WeakPolarHBondContact CZ-O 3.5Å; E481-R526 PolarHBondContact O-NH2 2.84Å; D524-R526 PolarHBondContact O-N 3.15Å; D524-R526 VanDerWaalsContact O-N 3.12Å; D524-R526 IonicContact OD1-CZ 2.99Å; D524-R526 IonicContact OD1-NE 3.83Å; D524-R526 PolarHBondContact OD1-NE 1.74Å; D524-R526 IonicContact OD1-NH2 3.61Å; D524-R526 PolarHBondContact OD1-NH2 2.83Å; D524-R526 WeakPolarHBondContact OD2-CB 3.33Å; D524-R526 WeakPolarHBondContact OD2-CG 3.42Å; D524-R526 IonicContact OD2-CZ 3.49Å; D524-R526 PolarHBondContact OD2-N 2.82Å; D524-R526 IonicContact OD2-NE 2.75Å; D524-R526 PolarHBondContact OD2-NE 3.49Å; D524-R526 IonicContact OD2-NH2 3.18Å; D524-R526 PolarHBondContact OD2-NH2 2.85Å; R526-H528 PolarHBondContact O-ND1 3.45Å; R526-H528 VanDerWaalsContact O-ND1 3.16Å; R526-R573 PolarHBondContact O-NH2 3.31Å
527L91.4Very high88.3Confident4 Ų449.7 Ų49.72%0.02126%0.257CS..  trans-72143172.1-68.6165.1000110.2F480 V482 I494 I512 I515 A521 L569 V571F480-L527 HydrophobicContact CD2-CD2 3.57Å; F480-L527 HydrophobicContact CD2-CG 4.1Å; F480-L527 HydrophobicContact CE2-CD2 3.98Å; V482-L527 HydrophobicContact CG2-CD1 4.25Å; I494-L527 HydrophobicContact CG2-CD1 4.41Å; I512-L527 HydrophobicContact CD1-CB 4.13Å; I512-L527 HydrophobicContact CD1-CD2 3.96Å; I512-L527 HydrophobicContact CD1-CG 4.47Å; I515-L527 HydrophobicContact CD1-CB 4.06Å; I515-L527 WeakPolarHBondContact CD1-O 3.39Å; A521-L527 HydrophobicContact CB-CD1 3.57Å; L527-L569 HydrophobicContact CD1-CD1 3.8Å; L527-L569 HydrophobicContact CD2-CD1 4.24Å; L527-V571 HydrophobicContact CD2-CG1 3.94Å
528H90.6Very high88.4Confident91 Ų9145.7 Ų45.742%0.42125%0.254SS..  trans-128.4161.2-178.9-69.926.9000110.9I512 R526 D531 R573I512-H528 WeakPolarHBondContact CB-O 3.43Å; R526-H528 PolarHBondContact O-ND1 3.45Å; R526-H528 VanDerWaalsContact O-ND1 3.16Å; H528-D531 PolarHBondContact N-OD2 2.87Å; H528-D531 WeakPolarHBondContact O-CB 3.41Å; H528-D531 PolarHBondContact O-N 3.44Å; H528-R573 PolarHBondContact ND1-NH2 2.96Å
529I90.8Very high88.9Confident95 Ų9547.4 Ų47.449%0.48725%0.253SS..THydrogen-bonded Turntrans-65.8145.9171.3-59.2178.5000108.8D531I529-D531 PolarHBondContact O-N 3.31Å
530N89.4Confident89.1Confident115 Ų11550.1 Ų50.162%0.61527%0.272SS*.THydrogen-bonded Turntrans69.62.7-172.4-53-48.4000116.3I512 Q532I512-N530 PolarHBondContact O-N 3.12Å; N530-Q532 PolarHBondContact O-N 3.37Å
531D92.5Very high89.1Confident0 Ų049.8 Ų49.80%027%0.269CS..  trans-60.1126.4167.6-78.4-10.2000110.5F511 I512 H528 I529 V571 R573F511-D531 CarbonylContact C-O 3.51Å; F511-D531 VanDerWaalsContact CA-O 3.3Å; F511-D531 WeakPolarHBondContact CA-O 3.48Å; I512-D531 HydrophobicContact CB-CB 4.49Å; I512-D531 HydrophobicContact CD1-CB 4Å; I512-D531 HydrophobicContact CG1-CB 4.2Å; I512-D531 PolarHBondContact N-O 3.19Å; H528-D531 PolarHBondContact N-OD2 2.87Å; H528-D531 WeakPolarHBondContact O-CB 3.41Å; H528-D531 PolarHBondContact O-N 3.44Å; I529-D531 PolarHBondContact O-N 3.31Å; D531-V571 HydrophobicContact CB-CB 4.2Å; D531-V571 HydrophobicContact CB-CG2 4.33Å; D531-R573 IonicContact OD1-CZ 3.76Å; D531-R573 IonicContact OD1-NE 3.44Å; D531-R573 PolarHBondContact OD1-NE 3.49Å; D531-R573 IonicContact OD1-NH2 2.94Å; D531-R573 PolarHBondContact OD1-NH2 3.06Å; D531-R573 IonicContact OD2-CZ 3.43Å; D531-R573 IonicContact OD2-NE 2.66Å; D531-R573 IonicContact OD2-NH2 3.71Å; D531-R573 PolarHBondContact OD2-NH2 3.26Å
532Q91.3Very high88.7Confident22 Ų2254.7 Ų54.710%0.10329%0.294CS..EExtended strand (participates in β ladder)trans-85.1124.9176-169.3175.82.300110L508 I510 F511 N530 I534 V571 L572L508-Q532 PolarHBondContact O-NE2 3.41Å; I510-Q532 CarbonylContact O-C 3.56Å; I510-Q532 WeakPolarHBondContact O-CA 3.42Å; F511-Q532 HydrophobicContact CD1-CB 3.67Å; F511-Q532 HydrophobicContact CD1-CG 3.94Å; F511-Q532 HydrophobicContact CD2-CG 4.4Å; F511-Q532 HydrophobicContact CE1-CB 3.52Å; F511-Q532 HydrophobicContact CE1-CG 3.53Å; F511-Q532 HydrophobicContact CE2-CG 4.01Å; F511-Q532 HydrophobicContact CG-CB 4.39Å; F511-Q532 HydrophobicContact CG-CG 4.36Å; F511-Q532 HydrophobicContact CZ-CB 4.12Å; F511-Q532 HydrophobicContact CZ-CG 3.56Å; N530-Q532 PolarHBondContact O-N 3.37Å; Q532-I534 PolarHBondContact O-N 3.44Å; Q532-V571 CarbonylContact O-C 3.49Å; Q532-V571 WeakPolarHBondContact O-CA 3.4Å; Q532-V571 WeakPolarHBondContact O-CB 3.2Å; Q532-L572 HydrophobicContact CB-CB 3.94Å; Q532-L572 WeakPolarHBondContact CB-O 3.44Å; Q532-L572 PolarHBondContact N-O 3.27Å; Q532-L572 PolarHBondContact O-N 3.08Å
533L91.8Very high88.2Confident4 Ų453.7 Ų53.72%0.02132%0.318CS..EExtended strand (participates in β ladder)trans-79.8112.8-179.9-135.876.6000110.2I510 V536 L541 L553 V571I510-L533 HydrophobicContact CB-CB 4.4Å; I510-L533 PolarHBondContact O-N 2.87Å; L533-V536 HydrophobicContact CD2-CG2 3.82Å; L533-V536 HydrophobicContact CG-CG2 4.48Å; L533-L541 HydrophobicContact CB-CD1 4.01Å; L533-L541 HydrophobicContact CD2-CD1 3.84Å; L533-L541 HydrophobicContact CG-CD1 4.14Å; L533-L553 HydrophobicContact CD2-CD2 3.98Å; L533-V571 HydrophobicContact CD1-CG1 3.85Å
534I91.3Very high88.1Confident10 Ų1051.4 Ų51.45%0.05131%0.306CS..EExtended strand (participates in β ladder)trans-93.2-44.9-176.6-49.2178.7000111.5Q477 Q532 L541 L542 V570 L572Q477-I534 HydrophobicContact CB-CD1 4.48Å; Q477-I534 HydrophobicContact CG-CD1 3.73Å; Q532-I534 PolarHBondContact O-N 3.44Å; I534-L541 WeakPolarHBondContact O-CA 3.26Å; I534-L541 WeakPolarHBondContact O-CB 3.44Å; I534-L541 PolarHBondContact O-N 3.22Å; I534-L542 HydrophobicContact CG2-CD1 3.7Å; I534-L542 HydrophobicContact CG2-CD2 4.11Å; I534-L542 HydrophobicContact CG2-CG 3.66Å; I534-V570 WeakPolarHBondContact CA-O 3.27Å; I534-V570 HydrophobicContact CB-CB 4.4Å; I534-V570 HydrophobicContact CB-CG1 4.39Å; I534-V570 WeakPolarHBondContact CB-O 3.41Å; I534-V570 HydrophobicContact CD1-CG1 4.27Å; I534-V570 PolarHBondContact N-O 3.25Å; I534-L572 HydrophobicContact CD1-CB 3.63Å; I534-L572 HydrophobicContact CD1-CD1 3.71Å; I534-L572 HydrophobicContact CD1-CD2 4.47Å; I534-L572 HydrophobicContact CD1-CG 4.09Å; I534-L572 HydrophobicContact CG1-CB 3.86Å
535A90.6Very high88Confident13 Ų1352.2 Ų52.211%0.10732%0.315CS..EExtended strand (participates in β ladder)trans-153155.2-177.200000111.9E539 V570A535-E539 CarbonylContact C-O 3.49Å; A535-E539 WeakPolarHBondContact CA-O 3.25Å; A535-E539 VanDerWaalsContact CB-O 3.31Å; A535-E539 WeakPolarHBondContact CB-O 3.4Å; A535-V570 HydrophobicContact CB-CB 3.97Å; A535-V570 HydrophobicContact CB-CG2 3.96Å; A535-V570 PolarHBondContact N-O 2.71Å; A535-V570 PolarHBondContact O-N 3.14Å
536V91.3Very high88.1Confident0 Ų050.4 Ų50.40%029%0.294CS..EExtended strand (participates in β ladder)trans-136.2126.1-179-177.70000109.1L533 G538 E539 L541 L553 S556 I567 Q568 L569L533-V536 HydrophobicContact CD2-CG2 3.82Å; L533-V536 HydrophobicContact CG-CG2 4.48Å; V536-G538 PolarHBondContact O-N 2.93Å; V536-E539 PolarHBondContact N-O 3.44Å; V536-E539 WeakPolarHBondContact O-CB 3.48Å; V536-E539 PolarHBondContact O-N 2.91Å; V536-L541 HydrophobicContact CG2-CD1 3.83Å; V536-L541 HydrophobicContact CG2-CD2 4.4Å; V536-L541 HydrophobicContact CG2-CG 4.29Å; V536-L553 HydrophobicContact CG1-CD1 3.75Å; V536-L553 HydrophobicContact CG2-CB 4.36Å; V536-L553 HydrophobicContact CG2-CD1 3.92Å; V536-S556 VanDerWaalsContact CG1-CB 3.43Å; V536-S556 WeakPolarHBondContact CG1-OG 3.3Å; V536-I567 HydrophobicContact CG1-CD1 3.78Å; V536-I567 HydrophobicContact CG1-CG1 3.99Å; V536-Q568 CarbonylContact C-O 3.55Å; V536-Q568 WeakPolarHBondContact CA-O 3.48Å; V536-L569 HydrophobicContact CB-CD2 4.47Å; V536-L569 HydrophobicContact CG1-CD2 4.1Å; V536-L569 HydrophobicContact CG2-CD2 3.96Å
537N87.8Confident87.9Confident64 Ų6451.5 Ų51.534%0.34230%0.303SS..THydrogen-bonded Turntrans49.923.2-177.9-70.7-11.5000115.1Q568N537-Q568 PolarHBondContact N-O 2.75Å; N537-Q568 PolarHBondContact OD1-N 3.12Å
538G84.5Confident87.7Confident60 Ų6053 Ų5362%0.61932%0.316SS*.THydrogen-bonded Turntrans97.3-15.1-17500000115.1V536 S540V536-G538 PolarHBondContact O-N 2.93Å; G538-S540 PolarHBondContact O-N 3.15Å
539E87.8Confident87.6Confident70 Ų7048.8 Ų48.833%0.32730%0.297SS..EExtended strand (participates in β ladder)trans-76.1119.9172.7-70.7-156.2-120.300111.5A535 V536 R544 T552A535-E539 CarbonylContact C-O 3.49Å; A535-E539 WeakPolarHBondContact CA-O 3.25Å; A535-E539 VanDerWaalsContact CB-O 3.31Å; A535-E539 WeakPolarHBondContact CB-O 3.4Å; V536-E539 PolarHBondContact N-O 3.44Å; V536-E539 WeakPolarHBondContact O-CB 3.48Å; V536-E539 PolarHBondContact O-N 2.91Å; E539-R544 IonicContact OE2-CZ 3.43Å; E539-R544 IonicContact OE2-NH1 3.35Å; E539-R544 PolarHBondContact OE2-NH1 3.25Å; E539-R544 IonicContact OE2-NH2 3.5Å; E539-R544 PolarHBondContact OE2-NH2 2.8Å; E539-T552 HydrophobicContact CB-CG2 3.81Å; E539-T552 HydrophobicContact CG-CG2 4.39Å
540S88.3Confident87.5Confident57 Ų5747.2 Ų47.240%0.39929%0.289SS..EExtended strand (participates in β ladder)trans-69.8128.4173.91770000111.8G538 L542 R544G538-S540 PolarHBondContact O-N 3.15Å; S540-L542 PolarHBondContact OG-N 2.7Å; S540-R544 WeakPolarHBondContact O-CD 3.33Å; S540-R544 PolarHBondContact O-NE 3.23Å
541L87.1Confident87.3Confident6 Ų645 Ų453%0.03127%0.274CS..  trans-90-18.6170.8-52.7-172.6000112.6L533 I534 V536 G543 R544 A549 T552L533-L541 HydrophobicContact CB-CD1 4.01Å; L533-L541 HydrophobicContact CD2-CD1 3.84Å; L533-L541 HydrophobicContact CG-CD1 4.14Å; I534-L541 WeakPolarHBondContact O-CA 3.26Å; I534-L541 WeakPolarHBondContact O-CB 3.44Å; I534-L541 PolarHBondContact O-N 3.22Å; V536-L541 HydrophobicContact CG2-CD1 3.83Å; V536-L541 HydrophobicContact CG2-CD2 4.4Å; V536-L541 HydrophobicContact CG2-CG 4.29Å; L541-G543 PolarHBondContact O-N 2.88Å; L541-R544 WeakPolarHBondContact O-CB 3.32Å; L541-R544 PolarHBondContact O-N 2.82Å; L541-R544 VanDerWaalsContact O-N 3.12Å; L541-A549 HydrophobicContact CB-CB 3.96Å; L541-A549 HydrophobicContact CD1-CB 4.31Å; L541-A549 HydrophobicContact CD2-CB 3.97Å; L541-A549 HydrophobicContact CG-CB 4.3Å; L541-T552 HydrophobicContact CD2-CG2 3.66Å
542L81.7Confident87.1Confident102 Ų10245.3 Ų45.353%0.53428%0.276SS..THydrogen-bonded Turntrans-58.1131.6174.7-63.6-179.3000110.7I534 S540 R544I534-L542 HydrophobicContact CG2-CD1 3.7Å; I534-L542 HydrophobicContact CG2-CD2 4.11Å; I534-L542 HydrophobicContact CG2-CG 3.66Å; S540-L542 PolarHBondContact OG-N 2.7Å; L542-R544 PolarHBondContact O-N 2.72Å
543G76.2Confident87Confident92 Ų9244.6 Ų44.695%0.94827%0.273SS*.THydrogen-bonded Turntrans74.3-5.3-17900000115.2L541L541-G543 PolarHBondContact O-N 2.88Å
544R82.8Confident86.7Confident89 Ų8951.5 Ų51.534%0.33630%0.299SS..SBendtrans-77.9151.3165.6-62.6-168.9-174-164.5-1.6109.3E539 S540 L541 L542 A548 A549 T552E539-R544 IonicContact OE2-CZ 3.43Å; E539-R544 IonicContact OE2-NH1 3.35Å; E539-R544 PolarHBondContact OE2-NH1 3.25Å; E539-R544 IonicContact OE2-NH2 3.5Å; E539-R544 PolarHBondContact OE2-NH2 2.8Å; S540-R544 WeakPolarHBondContact O-CD 3.33Å; S540-R544 PolarHBondContact O-NE 3.23Å; L541-R544 WeakPolarHBondContact O-CB 3.32Å; L541-R544 PolarHBondContact O-N 2.82Å; L541-R544 VanDerWaalsContact O-N 3.12Å; L542-R544 PolarHBondContact O-N 2.72Å; R544-A548 HydrophobicContact CB-CB 4.39Å; R544-A549 HydrophobicContact CB-CB 4.18Å; R544-T552 PolarHBondContact NH1-OG1 2.87Å
545S85.9Confident86.4Confident55 Ų5559 Ų5939%0.38533%0.327SS..  trans-64.4153.4171.670.20000110.7D507 H547 A548 A549D507-S545 WeakPolarHBondContact OD2-CA 3.45Å; D507-S545 WeakPolarHBondContact OD2-CB 3.19Å; S545-H547 PolarHBondContact O-N 2.75Å; S545-H547 VanDerWaalsContact O-N 3.14Å; S545-A548 PolarHBondContact O-N 3.07Å; S545-A548 WeakPolarHBondContact OG-CB 3.32Å; S545-A548 PolarHBondContact OG-N 2.82Å; S545-A549 WeakPolarHBondContact O-CB 3.28Å; S545-A549 PolarHBondContact O-N 3.01Å
546N87.2Confident86.1Confident8 Ų858.7 Ų58.74%0.04332%0.324CS..Hα-helixtrans-54.7-35.8-179.5-90.1-47.9000112.3G498 N499 D507 G509 M550G498-N546 VanDerWaalsContact CA-CG 3.44Å; G498-N546 WeakPolarHBondContact CA-OD1 3.4Å; N499-N546 PolarHBondContact O-ND2 3.34Å; D507-N546 WeakPolarHBondContact CB-ND2 3.47Å; D507-N546 PolarHBondContact OD1-ND2 2.86Å; D507-N546 PolarHBondContact OD2-N 3.11Å; G509-N546 PolarHBondContact O-OD1 3.41Å; G509-N546 VanDerWaalsContact O-OD1 3.12Å; N546-M550 WeakPolarHBondContact O-CG 3.1Å; N546-M550 PolarHBondContact O-N 3.49Å
547H85.6Confident85.6Confident125 Ų12561.8 Ų61.858%0.57934%0.339SS*.Hα-helixtrans-70.1-50.4174176.767.9000112.3S545 A549 M550 E551S545-H547 PolarHBondContact O-N 2.75Å; S545-H547 VanDerWaalsContact O-N 3.14Å; H547-A549 VanDerWaalsContact C-N 3.25Å; H547-A549 PolarHBondContact O-N 3.39Å; H547-M550 PolarHBondContact O-N 2.85Å; H547-M550 VanDerWaalsContact O-N 3.08Å; H547-E551 PolarHBondContact O-N 3.16Å
548A88Confident84.9Confident36 Ų3661.8 Ų61.830%0.29834%0.344SS..Hα-helixtrans-61.2-34.6-179.800000112.6R544 S545 E551 T552R544-A548 HydrophobicContact CB-CB 4.39Å; S545-A548 PolarHBondContact O-N 3.07Å; S545-A548 WeakPolarHBondContact OG-CB 3.32Å; S545-A548 PolarHBondContact OG-N 2.82Å; A548-E551 PolarHBondContact O-N 2.99Å; A548-T552 WeakPolarHBondContact O-CB 3.34Å; A548-T552 PolarHBondContact O-N 3.41Å; A548-T552 PolarHBondContact O-OG1 3.44Å
549A88.1Confident83.6Confident2 Ų266.5 Ų66.52%0.01735%0.35CS..Hα-helixtrans-71.3-33.9175.400000113I510 L541 R544 S545 H547 T552 L553I510-A549 VanDerWaalsContact CD1-C 3.49Å; I510-A549 HydrophobicContact CD1-CB 3.39Å; I510-A549 HydrophobicContact CG1-CB 4.11Å; L541-A549 HydrophobicContact CB-CB 3.96Å; L541-A549 HydrophobicContact CD1-CB 4.31Å; L541-A549 HydrophobicContact CD2-CB 3.97Å; L541-A549 HydrophobicContact CG-CB 4.3Å; R544-A549 HydrophobicContact CB-CB 4.18Å; S545-A549 WeakPolarHBondContact O-CB 3.28Å; S545-A549 PolarHBondContact O-N 3.01Å; H547-A549 VanDerWaalsContact C-N 3.25Å; H547-A549 PolarHBondContact O-N 3.39Å; A549-T552 WeakPolarHBondContact O-CB 3.46Å; A549-T552 PolarHBondContact O-N 3.42Å; A549-L553 PolarHBondContact O-N 2.77Å
550M87.7Confident82.1Confident62 Ų6270.8 Ų70.831%0.30537%0.37SS..Hα-helixtrans-66.9-42.7170.9-74.1-173.6-63.200111.3I510 N546 H547 T552 L553 R554I510-M550 HydrophobicContact CD1-CB 4.33Å; I510-M550 HydrophobicContact CD1-CG 3.55Å; I510-M550 HydrophobicContact CG1-CG 4.5Å; N546-M550 WeakPolarHBondContact O-CG 3.1Å; N546-M550 PolarHBondContact O-N 3.49Å; H547-M550 PolarHBondContact O-N 2.85Å; H547-M550 VanDerWaalsContact O-N 3.08Å; M550-T552 VanDerWaalsContact C-N 3.31Å; M550-T552 PolarHBondContact O-N 3.22Å; M550-L553 PolarHBondContact O-N 3.05Å; M550-R554 WeakPolarHBondContact O-CG 3.36Å; M550-R554 PolarHBondContact O-N 3.4Å
551E86.6Confident80.6Confident67 Ų6769.5 Ų69.531%0.31337%0.366SS..Hα-helixtrans-64.5-34.3175.3-70.6-53.2122.100112.7H547 A548 R554 R555H547-E551 PolarHBondContact O-N 3.16Å; A548-E551 PolarHBondContact O-N 2.99Å; E551-R554 PolarHBondContact O-N 3.02Å; E551-R554 WeakPolarHBondContact OE1-CD 3.11Å; E551-R554 IonicContact OE1-CZ 3.38Å; E551-R554 IonicContact OE1-NE 3.09Å; E551-R554 IonicContact OE1-NH1 2.73Å; E551-R554 PolarHBondContact OE1-NH1 2.89Å; E551-R555 VanDerWaalsContact O-CB 3.3Å; E551-R555 WeakPolarHBondContact O-CB 3.47Å; E551-R555 PolarHBondContact O-N 2.71Å
552T88.7Confident79.8Confident8 Ų870.8 Ų70.85%0.04937%0.372CS..Hα-helixtrans-60.5-45.3172.7-53.30000111E539 L541 R544 A548 A549 M550 S556E539-T552 HydrophobicContact CB-CG2 3.81Å; E539-T552 HydrophobicContact CG-CG2 4.39Å; L541-T552 HydrophobicContact CD2-CG2 3.66Å; R544-T552 PolarHBondContact NH1-OG1 2.87Å; A548-T552 WeakPolarHBondContact O-CB 3.34Å; A548-T552 PolarHBondContact O-N 3.41Å; A548-T552 PolarHBondContact O-OG1 3.44Å; A549-T552 WeakPolarHBondContact O-CB 3.46Å; A549-T552 PolarHBondContact O-N 3.42Å; M550-T552 VanDerWaalsContact C-N 3.31Å; M550-T552 PolarHBondContact O-N 3.22Å; T552-S556 WeakPolarHBondContact O-CB 3.36Å; T552-S556 PolarHBondContact O-N 3.48Å; T552-S556 PolarHBondContact O-OG 2.98Å
553L87.4Confident78.7Confident6 Ų671.8 Ų71.83%0.03138%0.383CS..Hα-helixtrans-68.2-44.5176.2176.364.8000112.2L492 L496 L533 V536 A549 M550 R555 S556 M557 I567 L569L492-L553 HydrophobicContact CD2-CD1 4.33Å; L496-L553 HydrophobicContact CD1-CD2 3.16Å; L533-L553 HydrophobicContact CD2-CD2 3.98Å; V536-L553 HydrophobicContact CG1-CD1 3.75Å; V536-L553 HydrophobicContact CG2-CB 4.36Å; V536-L553 HydrophobicContact CG2-CD1 3.92Å; A549-L553 PolarHBondContact O-N 2.77Å; M550-L553 PolarHBondContact O-N 3.05Å; L553-R555 PolarHBondContact O-N 3.13Å; L553-S556 CarbonylContact O-C 3.43Å; L553-S556 WeakPolarHBondContact O-CB 3.22Å; L553-S556 PolarHBondContact O-N 2.9Å; L553-S556 VanDerWaalsContact O-N 3.1Å; L553-M557 HydrophobicContact CD1-CG 4.17Å; L553-M557 HydrophobicContact CD1-SD 4.25Å; L553-M557 HydrophobicContact CG-CE 4.09Å; L553-M557 HydrophobicContact CG-SD 4.32Å; L553-M557 WeakPolarHBondContact O-CG 3.06Å; L553-M557 PolarHBondContact O-N 3.08Å; L553-I567 HydrophobicContact CD1-CD1 3.68Å; L553-L569 HydrophobicContact CD1-CD2 4.16Å
554R86Confident78.2Confident150 Ų15077.2 Ų77.257%0.56637%0.374SS*.Hα-helixtrans-55.5-51.5176.6-77.3168.1161.6-169.9-9.1110.6M550 E551 S556 M557 S558M550-R554 WeakPolarHBondContact O-CG 3.36Å; M550-R554 PolarHBondContact O-N 3.4Å; E551-R554 PolarHBondContact O-N 3.02Å; E551-R554 WeakPolarHBondContact OE1-CD 3.11Å; E551-R554 IonicContact OE1-CZ 3.38Å; E551-R554 IonicContact OE1-NE 3.09Å; E551-R554 IonicContact OE1-NH1 2.73Å; E551-R554 PolarHBondContact OE1-NH1 2.89Å; R554-S556 VanDerWaalsContact C-N 3.29Å; R554-S556 PolarHBondContact O-N 2.87Å; R554-M557 PolarHBondContact O-N 3.18Å; R554-M557 VanDerWaalsContact O-N 3.08Å; R554-S558 PolarHBondContact O-N 2.75Å; R554-S558 PolarHBondContact O-OG 3.39Å
555R85.6Confident78Confident167 Ų16774.3 Ų74.363%0.6337%0.372SS*.Hα-helixtrans-56.7-40.5174.1-173.4-177.1-62.7175.7-0.9112.7E551 L553 M557 S558 G561E551-R555 VanDerWaalsContact O-CB 3.3Å; E551-R555 WeakPolarHBondContact O-CB 3.47Å; E551-R555 PolarHBondContact O-N 2.71Å; L553-R555 PolarHBondContact O-N 3.13Å; R555-M557 VanDerWaalsContact C-N 3.29Å; R555-M557 PolarHBondContact O-N 2.99Å; R555-S558 PolarHBondContact O-N 2.83Å; R555-G561 WeakPolarHBondContact O-CA 3.16Å
556S85Confident77.9Confident7 Ų774.5 Ų74.55%0.04937%0.368CS..Hα-helixtrans-69.9-20.7178.2-61.20000114.3V536 T552 L553 R554V536-S556 VanDerWaalsContact CG1-CB 3.43Å; V536-S556 WeakPolarHBondContact CG1-OG 3.3Å; T552-S556 WeakPolarHBondContact O-CB 3.36Å; T552-S556 PolarHBondContact O-N 3.48Å; T552-S556 PolarHBondContact O-OG 2.98Å; L553-S556 CarbonylContact O-C 3.43Å; L553-S556 WeakPolarHBondContact O-CB 3.22Å; L553-S556 PolarHBondContact O-N 2.9Å; L553-S556 VanDerWaalsContact O-N 3.1Å; R554-S556 VanDerWaalsContact C-N 3.29Å; R554-S556 PolarHBondContact O-N 2.87Å
557M79.1Confident77.9Confident65 Ų6574.1 Ų74.132%0.3237%0.366SS..Hα-helixtrans-92.3-27173.2-66.6-173.4-55.500112.7L484 L492 L553 R554 R555 I567L484-M557 HydrophobicContact CD1-CG 4.37Å; L492-M557 HydrophobicContact CB-SD 3.46Å; L492-M557 WeakPolarHBondContact CB-SD 3.35Å; L492-M557 HydrophobicContact CD2-SD 4.04Å; L492-M557 HydrophobicContact CG-SD 4.43Å; L553-M557 HydrophobicContact CD1-CG 4.17Å; L553-M557 HydrophobicContact CD1-SD 4.25Å; L553-M557 HydrophobicContact CG-CE 4.09Å; L553-M557 HydrophobicContact CG-SD 4.32Å; L553-M557 WeakPolarHBondContact O-CG 3.06Å; L553-M557 PolarHBondContact O-N 3.08Å; R554-M557 PolarHBondContact O-N 3.18Å; R554-M557 VanDerWaalsContact O-N 3.08Å; R555-M557 VanDerWaalsContact C-N 3.29Å; R555-M557 PolarHBondContact O-N 2.99Å; M557-I567 HydrophobicContact CG-CD1 3.61Å
558S73.8Confident78.1Confident64 Ų6471.1 Ų71.145%0.44835%0.352SS..SBendtrans-60.8154.1174.8-66.80000112.4R554 R555 E560 G561 N562R554-S558 PolarHBondContact O-N 2.75Å; R554-S558 PolarHBondContact O-OG 3.39Å; R555-S558 PolarHBondContact O-N 2.83Å; S558-E560 PolarHBondContact O-N 3.05Å; S558-E560 VanDerWaalsContact O-N 3.08Å; S558-G561 PolarHBondContact O-N 2.97Å; S558-N562 PolarHBondContact O-N 2.83Å
559Q57Low78.3Confident159 Ų15969.4 Ų69.474%0.74334%0.338SS*.THydrogen-bonded Turntrans-55-29.9-179.1-67.9173.9-16.400113.7G561Q559-G561 VanDerWaalsContact C-N 3.35Å
560E56.6Low78.5Confident160 Ų16070.3 Ų70.375%0.74834%0.343SS*.THydrogen-bonded Turntrans-73.7-21.7177.4-62.5177.9172.500113.4S558S558-E560 PolarHBondContact O-N 3.05Å; S558-E560 VanDerWaalsContact O-N 3.08Å
561G57.8Low78.8Confident30 Ų3067.4 Ų67.431%0.30933%0.329SS..THydrogen-bonded Turntrans-107.5-24176.700000114.9R555 S558 Q559 V563R555-G561 WeakPolarHBondContact O-CA 3.16Å; S558-G561 PolarHBondContact O-N 2.97Å; Q559-G561 VanDerWaalsContact C-N 3.35Å; G561-V563 PolarHBondContact O-N 2.95Å
562N68.5Low79Confident32 Ų3265 Ų6517%0.17132%0.318CS..  trans-99.854.9-177.3-177.225000112.7L484 S558 R564 G565 M566L484-N562 WeakPolarHBondContact CD1-ND2 3.44Å; S558-N562 PolarHBondContact O-N 2.83Å; N562-R564 PolarHBondContact O-N 2.92Å; N562-G565 WeakPolarHBondContact OD1-CA 3.13Å; N562-G565 PolarHBondContact OD1-N 3.17Å; N562-G565 VanDerWaalsContact OD1-N 3.11Å; N562-M566 PolarHBondContact OD1-N 2.86Å; N562-M566 PolarHBondContact OD1-O 2.86Å
563V59.6Low79Confident123 Ų12366.7 Ų66.775%0.74532%0.324SS*.THydrogen-bonded Turntrans-70.912.5178.2-57.60000114.5G561G561-V563 PolarHBondContact O-N 2.95Å
564R66.1Low78.7Confident206 Ų20670.9 Ų70.978%0.77735%0.346SS*.THydrogen-bonded Turntrans-128.4-9.9-174.5-68.1-171.2176.2178.11.3115.2N562 M566N562-R564 PolarHBondContact O-N 2.92Å; R564-M566 HydrophobicContact CB-CB 4.35Å; R564-M566 PolarHBondContact O-N 3.2Å
565G77.3Confident77.6Confident28 Ų2868.9 Ų68.929%0.28935%0.346SS..SBendtrans63.519.7-169.600000113.3L484 N562L484-G565 PolarHBondContact N-O 2.65Å; N562-G565 WeakPolarHBondContact OD1-CA 3.13Å; N562-G565 PolarHBondContact OD1-N 3.17Å; N562-G565 VanDerWaalsContact OD1-N 3.11Å
566M84Confident76Confident59 Ų5969.3 Ų69.329%0.29135%0.352SS..EExtended strand (participates in β ladder)trans-143.6132.7-174.6-59.9-65.6-57.300108.4E481 V482 P483 N562 R564E481-M566 HydrophobicContact CB-CE 4.48Å; E481-M566 HydrophobicContact CG-CB 4.4Å; E481-M566 HydrophobicContact CG-CE 3.78Å; V482-M566 WeakPolarHBondContact O-CA 3.48Å; P483-M566 VanDerWaalsContact CA-SD 3.55Å; P483-M566 HydrophobicContact CB-CE 4.19Å; P483-M566 HydrophobicContact CB-SD 3.73Å; N562-M566 PolarHBondContact OD1-N 2.86Å; N562-M566 PolarHBondContact OD1-O 2.86Å; R564-M566 HydrophobicContact CB-CB 4.35Å; R564-M566 PolarHBondContact O-N 3.2Å
567I87.9Confident73.9Confident0 Ų075.7 Ų75.70%039%0.386CS..EExtended strand (participates in β ladder)trans-112.7126.6171.6-167.1163.9000110.8E481 V482 L484 L492 V536 L553 M557 L569E481-I567 WeakPolarHBondContact CA-O 3.47Å; V482-I567 HydrophobicContact CB-CG2 4.09Å; V482-I567 PolarHBondContact N-O 2.9Å; V482-I567 PolarHBondContact O-N 3.38Å; L484-I567 HydrophobicContact CD1-CB 3.73Å; L484-I567 HydrophobicContact CD1-CD1 4.41Å; L484-I567 HydrophobicContact CD1-CG2 3.83Å; L484-I567 HydrophobicContact CD2-CG2 3.95Å; L484-I567 HydrophobicContact CG-CB 4.1Å; L484-I567 HydrophobicContact CG-CG2 3.76Å; L492-I567 HydrophobicContact CD1-CG2 3.97Å; L492-I567 HydrophobicContact CD2-CG2 4.47Å; V536-I567 HydrophobicContact CG1-CD1 3.78Å; V536-I567 HydrophobicContact CG1-CG1 3.99Å; L553-I567 HydrophobicContact CD1-CD1 3.68Å; M557-I567 HydrophobicContact CG-CD1 3.61Å; I567-L569 HydrophobicContact CD1-CD2 4.21Å; I567-L569 HydrophobicContact CG1-CD2 4.07Å; I567-L569 HydrophobicContact CG1-CG 4.43Å; I567-L569 HydrophobicContact CG2-CD1 4.41Å; I567-L569 HydrophobicContact CG2-CG 4.41Å
568Q89.9Confident71.8Confident62 Ų6281.6 Ų81.629%0.2941%0.413SS..EExtended strand (participates in β ladder)trans-89.8129.2172.9-175.317490.900109.4M479 F480 V536 N537M479-Q568 HydrophobicContact CG-CG 4.15Å; M479-Q568 HydrophobicContact SD-CG 4.31Å; F480-Q568 CarbonylContact O-C 3.56Å; F480-Q568 WeakPolarHBondContact O-CA 3.37Å; V536-Q568 CarbonylContact C-O 3.55Å; V536-Q568 WeakPolarHBondContact CA-O 3.48Å; N537-Q568 PolarHBondContact N-O 2.75Å; N537-Q568 PolarHBondContact OD1-N 3.12Å
569L92.4Very high70Confident0 Ų089.6 Ų89.60%044%0.435CS..EExtended strand (participates in β ladder)trans-126.9131.4-178.6-59.6169.5000108.6M479 F480 V482 L492 L527 V536 L553 I567M479-L569 WeakPolarHBondContact CA-O 3.15Å; F480-L569 PolarHBondContact N-O 3.09Å; F480-L569 PolarHBondContact O-N 3.02Å; V482-L569 HydrophobicContact CG2-CD1 4.26Å; L492-L569 HydrophobicContact CD1-CD1 4.21Å; L492-L569 HydrophobicContact CD2-CD1 3.88Å; L492-L569 HydrophobicContact CD2-CD2 4.45Å; L527-L569 HydrophobicContact CD1-CD1 3.8Å; L527-L569 HydrophobicContact CD2-CD1 4.24Å; V536-L569 HydrophobicContact CB-CD2 4.47Å; V536-L569 HydrophobicContact CG1-CD2 4.1Å; V536-L569 HydrophobicContact CG2-CD2 3.96Å; L553-L569 HydrophobicContact CD1-CD2 4.16Å; I567-L569 HydrophobicContact CD1-CD2 4.21Å; I567-L569 HydrophobicContact CG1-CD2 4.07Å; I567-L569 HydrophobicContact CG1-CG 4.43Å; I567-L569 HydrophobicContact CG2-CD1 4.41Å; I567-L569 HydrophobicContact CG2-CG 4.41Å
570V92.5Very high68.6Low22 Ų2290.7 Ų90.713%0.13344%0.44CS..EExtended strand (participates in β ladder)trans-110.5124.7171.1-168.20000107.5Q477 L478 M479 I534 A535Q477-V570 HydrophobicContact CG-CG1 3.83Å; L478-V570 CarbonylContact O-C 3.58Å; L478-V570 WeakPolarHBondContact O-CA 3.45Å; L478-V570 WeakPolarHBondContact O-CG1 3.31Å; M479-V570 HydrophobicContact CG-CG2 4.16Å; I534-V570 WeakPolarHBondContact CA-O 3.27Å; I534-V570 HydrophobicContact CB-CB 4.4Å; I534-V570 HydrophobicContact CB-CG1 4.39Å; I534-V570 WeakPolarHBondContact CB-O 3.41Å; I534-V570 HydrophobicContact CD1-CG1 4.27Å; I534-V570 PolarHBondContact N-O 3.25Å; A535-V570 HydrophobicContact CB-CB 3.97Å; A535-V570 HydrophobicContact CB-CG2 3.96Å; A535-V570 PolarHBondContact N-O 2.71Å; A535-V570 PolarHBondContact O-N 3.14Å
571V92.8Very high67.4Low0 Ų089.5 Ų89.50%044%0.443CS..EExtended strand (participates in β ladder)trans-126.1156.1-174.1-49.90000112.6Q477 L478 F480 L527 D531 Q532 L533Q477-V571 CarbonylContact C-O 3.44Å; Q477-V571 WeakPolarHBondContact CA-O 3.48Å; L478-V571 HydrophobicContact CB-CG2 3.93Å; L478-V571 PolarHBondContact N-O 2.79Å; L478-V571 PolarHBondContact O-N 2.83Å; F480-V571 HydrophobicContact CD2-CG2 4.18Å; F480-V571 HydrophobicContact CE2-CG2 3.65Å; L527-V571 HydrophobicContact CD2-CG1 3.94Å; D531-V571 HydrophobicContact CB-CB 4.2Å; D531-V571 HydrophobicContact CB-CG2 4.33Å; Q532-V571 CarbonylContact O-C 3.49Å; Q532-V571 WeakPolarHBondContact O-CA 3.4Å; Q532-V571 WeakPolarHBondContact O-CB 3.2Å; L533-V571 HydrophobicContact CD1-CG1 3.85Å
572L90.6Very high65.9Low17 Ų1793.5 Ų93.59%0.08947%0.467CS..EExtended strand (participates in β ladder)trans-114.7119.1173.6-146.959.3000108.5K475 E476 Q477 Q532 I534K475-L572 HydrophobicContact CB-CD1 4.1Å; K475-L572 HydrophobicContact CB-CD2 4.2Å; K475-L572 HydrophobicContact CB-CG 3.73Å; K475-L572 HydrophobicContact CD-CD2 3.51Å; K475-L572 HydrophobicContact CD-CG 3.74Å; K475-L572 HydrophobicContact CG-CG 4.44Å; E476-L572 WeakPolarHBondContact O-CA 3.29Å; Q477-L572 HydrophobicContact CB-CD1 3.88Å; Q532-L572 HydrophobicContact CB-CB 3.94Å; Q532-L572 WeakPolarHBondContact CB-O 3.44Å; Q532-L572 PolarHBondContact N-O 3.27Å; Q532-L572 PolarHBondContact O-N 3.08Å; I534-L572 HydrophobicContact CD1-CB 3.63Å; I534-L572 HydrophobicContact CD1-CD1 3.71Å; I534-L572 HydrophobicContact CD1-CD2 4.47Å; I534-L572 HydrophobicContact CD1-CG 4.09Å; I534-L572 HydrophobicContact CG1-CB 3.86Å
573R89.9Confident64.4Low44 Ų4497.1 Ų97.117%0.16649%0.492CS..EExtended strand (participates in β ladder)trans-110.9138.9177.1-172.7176.3-62.9160.20.7109.9K475 E476 R526 H528 D531K475-R573 CarbonylContact C-O 3.58Å; K475-R573 VanDerWaalsContact CA-O 3.31Å; K475-R573 WeakPolarHBondContact CA-O 3.38Å; K475-R573 WeakPolarHBondContact CB-O 3.27Å; E476-R573 HydrophobicContact CG-CB 3.81Å; E476-R573 PolarHBondContact N-O 2.67Å; E476-R573 PolarHBondContact O-N 2.89Å; E476-R573 WeakPolarHBondContact OE1-CD 3.37Å; R526-R573 PolarHBondContact O-NH2 3.31Å; H528-R573 PolarHBondContact ND1-NH2 2.96Å; D531-R573 IonicContact OD1-CZ 3.76Å; D531-R573 IonicContact OD1-NE 3.44Å; D531-R573 PolarHBondContact OD1-NE 3.49Å; D531-R573 IonicContact OD1-NH2 2.94Å; D531-R573 PolarHBondContact OD1-NH2 3.06Å; D531-R573 IonicContact OD2-CZ 3.43Å; D531-R573 IonicContact OD2-NE 2.66Å; D531-R573 IonicContact OD2-NH2 3.71Å; D531-R573 PolarHBondContact OD2-NH2 3.26Å
574N80.4Confident62.8Low94 Ų9498.5 Ų98.550%0.50350%0.495SS..EExtended strand (participates in β ladder)trans-78.2129172.6-68.57.7000108.7K475 K576K475-N574 VanDerWaalsContact CD-OD1 3.25Å; K475-N574 WeakPolarHBondContact CD-OD1 3.34Å; K475-N574 WeakPolarHBondContact CE-OD1 3.39Å; K475-N574 WeakPolarHBondContact CG-OD1 3.32Å; K475-N574 PolarHBondContact NZ-OD1 2.98Å; N574-K576 PolarHBondContact O-N 2.85Å
575L63.4Low61Low108 Ų108100.3 Ų100.357%0.56550%0.502SS*.SBendtrans-7739.7-178.4-80.1172000113.7E476E476-L575 HydrophobicContact CB-CD1 4.2Å; E476-L575 HydrophobicContact CB-CD2 4.34Å; E476-L575 HydrophobicContact CB-CG 4.12Å; E476-L575 HydrophobicContact CG-CD2 4Å; E476-L575 HydrophobicContact CG-CG 4.06Å
576K52.4Low58.6Low176 Ų176104.3 Ų104.377%0.76553%0.526SS*.  trans-148.290-176.6-168.2170.6-175.1178.10111N574N574-K576 PolarHBondContact O-N 2.85Å
577D40.2Very low55.9Low140 Ų140110.4 Ų110.475%0.74955%0.551SS**  trans-165.896138.3-86.3-28.9000110
578Q35Very low52.9Low189 Ų189117.9 Ų117.988%0.88359%0.59SS**SBendtrans-137.131.6163.1-84.1-157.334.500111.1
579Y36.6Very low49.9Very low233 Ų233118.7 Ų118.791%0.91460%0.603SS**  trans-148.864.8170.3-79.3-70.6000110.9
580E25.9Very low46.8Very low181 Ų181123.9 Ų123.985%0.84664%0.639SS**  trans-137.6132.7156.3-155.9166.1-120.400110.6
581V31.3Very low43.9Very low135 Ų135128.9 Ų128.982%0.81868%0.676SS**PPolyproline II helixtrans-95132.9-178.8173.10000108.3P583V581-P583 WeakPolarHBondContact O-CD 3.5Å
582S27.3Very low40.8Very low115 Ų115132.6 Ų132.680%0.80471%0.714SS**PPolyproline II helixtrans-61.9126.8-177-48.10000112.8
583P36.7Very low37.8Very low108 Ų108138.8 Ų138.870%0.70175%0.752SS**PPolyproline II helixtrans-88129.8163.232.1-28.6000111.3V581V581-P583 WeakPolarHBondContact O-CD 3.5Å
584N25.4Very low35.5Very low151 Ų151142.8 Ų142.881%0.80778%0.784SS**  trans68.691.2154.5-54.7-23.8000119.5
585R29.4Very low32.9Very low244 Ų244142.1 Ų142.192%0.92180%0.799SS**SBend-113.7158.4108.5-90.1-168.5174.6-112.2-1.2109.8
586S26.9Very low31.2Very low113 Ų113144.9 Ų144.979%0.7981%0.813SS**  trans-59.5147.4-162.947.90000115.8
587F26.8Very low30.1Very low187 Ų187144.2 Ų144.282%0.8282%0.817SS**  trans-54.9148.5159.2-115.5-107.7000111.7
588D24.3Very low29.4Very low156 Ų156142.5 Ų142.583%0.83482%0.816SS**  -144.4165.7129.5-151.9-13000109.1
589S27.5Very low30.1Very low79 Ų79138.5 Ų138.555%0.55281%0.806SS**  trans-119146.8-143.9-51.80000115.5
590S28.4Very low29.7Very low109 Ų109136.6 Ų136.676%0.76280%0.803SS**  160148.6119.654.30000114.8
591S30.7Very low30Very low128 Ų128137.6 Ų137.690%0.89580%0.804SS**  trans63.2144.6173.675.40000117.4
592G27.4Very low29.9Very low78 Ų78134.8 Ų134.880%0.80480%0.803SS**  cis-170.2143.9-8.600000111.2
593V28Very low30.2Very low146 Ų146138 Ų13889%0.88581%0.805SS**  trans-81.9169.5179.8-860000113.1
594P41.1Very low29.9Very low129 Ų129139.4 Ų139.484%0.83881%0.812SS**  cis-130.6-175.9-1232.4-12000114.2
595G26.2Very low30.1Very low80 Ų80135.6 Ų135.683%0.82581%0.808SS**  trans-178.5143.2166.700000114.9
596L28.5Very low30.1Very low165 Ų165134 Ų13486%0.86481%0.808SS**  trans-122.8168.7-163.6-156.375.1000113.7
597I27.3Very low30.1Very low163 Ų163134.7 Ų134.784%0.83681%0.807SS**  trans79.8154161.8-18-176.6000119.4
598S26.8Very low30.2Very low104 Ų104130.6 Ų130.673%0.72780%0.802SS**  trans-126.9-168.9-178.6-148.40000109
599P48.7Very low30.4Very low105 Ų105132.1 Ų132.168%0.68280%0.804SS**  cis-141.4176.3-5.743-23.6000117.7
600F28.8Very low30.4Very low192 Ų192133 Ų13384%0.84282%0.816SS**  trans43.9124.5146.4-93-94.8000125.9
601K32.8Very low31.3Very low203 Ų203132.8 Ų132.888%0.88381%0.812SS**  trans80.2128.8130.4-135.8-179.7-172.31800122.8
602G29.1Very low31.1Very low76 Ų76134.4 Ų134.478%0.78481%0.811SS**  trans129.511413600000120.6
603Q32.8Very low31Very low183 Ų183135.5 Ų135.586%0.85581%0.806SS**  trans-15.1137.6165.8-74.6173-32.300123.5
604T30.9Very low31Very low137 Ų137135 Ų13584%0.8480%0.803SS**  trans58120.7139.160.10000123.2
605G29Very low30.1Very low71 Ų71136.9 Ų136.973%0.73280%0.8SS**  trans129.589.6130.500000121.6
606F28.9Very low31Very low210 Ų210137.4 Ų137.492%0.92179%0.789SS**  trans61.1135.9142.8-95.5-77.5000124.1
607V29Very low30.8Very low127 Ų127135.1 Ų135.177%0.7778%0.782SS**  trans85.3119.8156-176.20000121.5
608S27.9Very low30.8Very low102 Ų102135.2 Ų135.271%0.71378%0.779SS**  trans34132.3148.1-55.50000126.8
609Q28.8Very low31Very low188 Ų188136.1 Ų136.188%0.87978%0.78SS**  trans51.1107.7137.3-66.1-178.3-14.500122.2
610A26.2Very low29.8Very low96 Ų96136.1 Ų136.179%0.79378%0.782SS**  25154.6127.100000123
611P49.2Very low29.9Very low105 Ų105133.9 Ų133.968%0.68278%0.779SS**  cis-136.7-165.1-19.838.6-18.5000114.4
612D26Very low30.7Very low163 Ų163128.4 Ų128.487%0.87276%0.764SS**  trans82.2156.7155.8-67.4-29.2000122.2
613S25.6Very low30.8Very low100 Ų100131.8 Ų131.870%0.69976%0.763SS**  trans-103.3157.7-156.9179.50000113.1
614V26.5Very low30.8Very low137 Ų137132.2 Ų132.283%0.8376%0.758SS**  178.6146.1117.5151.50000112.5
615H23.7Very low30.5Very low167 Ų167129.9 Ų129.977%0.77375%0.747SS**  trans-74.1-172.2177.8-104.2-58000113.9
616P43.9Very low30.5Very low92 Ų92131.6 Ų131.660%0.59775%0.748SS**  cis-141.6-159.2-19.732.3-8.3000114.6
617T25.4Very low30.5Very low117 Ų117126.1 Ų126.172%0.71874%0.736SS**  trans76.5150.6146.644.10000119.7
618Q27.6Very low30.4Very low164 Ų164126 Ų12677%0.76674%0.735SS**  cis-156.71537.3-134.7176.31800113.6
619V29.5Very low30.3Very low124 Ų124126.7 Ų126.775%0.75274%0.736SS**  trans60.8140.2138.2149.40000121.4
620S24.3Very low30.1Very low104 Ų104125.7 Ų125.773%0.72774%0.736SS**  cis-164.4163.5-15.764.90000115.6
621N31.3Very low30.2Very low145 Ų145125 Ų12578%0.77574%0.738SS**  trans-66.9-160.5150.5-99.64.1000111.3
622P49.1Very low28.9Very low88 Ų88125.8 Ų125.857%0.57175%0.746SS**  cis-103.5-149.5-2.219.74.9000112.8Y624P622-Y624 HydrophobicContact CB-CD2 4Å; P622-Y624 HydrophobicContact CB-CE2 3.65Å; P622-Y624 HydrophobicContact CG-CE2 4.42Å
623I30.9Very low28.8Very low148 Ų148126.3 Ų126.376%0.75974%0.737SS**  cis-159.8154.430.7-72.5174.8000107
624Y32.8Very low28.7Very low191 Ų191130 Ų13075%0.74974%0.741SS**  cis179.6180-24.4-92.7177.8000106.3P622P622-Y624 HydrophobicContact CB-CD2 4Å; P622-Y624 HydrophobicContact CB-CE2 3.65Å; P622-Y624 HydrophobicContact CG-CE2 4.42Å
625S25.8Very low28.7Very low88 Ų88128.8 Ų128.862%0.61573%0.726SS**  cis-175.8-177.8-46.175.80000108.9
626S28.2Very low28.9Very low107 Ų107128.5 Ų128.575%0.74873%0.727SS**  trans81.9137.416476.40000119.6
627S29.1Very low28Very low96 Ų96127.9 Ų127.967%0.67172%0.719SS**  cis-172.8145.7-15.850.30000114.6
628V26.7Very low28.1Very low124 Ų124131 Ų13175%0.75273%0.725SS**  trans52.1143.3149-56.50000121.3
629T25.8Very low28.2Very low117 Ų117130.9 Ų130.972%0.71872%0.724SS**  cis100.9145.713.570.50000118.4
630N25.5Very low28.2Very low167 Ų167129.5 Ų129.589%0.89371%0.71SS**  trans76.9152.9-179.9-57.5-9000116.3
631G26.5Very low28.6Very low80 Ų80130.6 Ų130.683%0.82570%0.703SS**  cis-133-154.5-6.200000111.1
632S23.2Very low28.4Very low123 Ų123127.9 Ų127.986%0.8669%0.686SS**  cis-155.1-170.88.6-164.40000111.4
633Y23.2Very low27.3Very low174 Ų174127 Ų12768%0.68269%0.693SS**  trans-117.7-162.7-166.4-171-107.2000114.2H635Y633-H635 HydrophobicContact CE1-CB 4.18Å
634F24.2Very low27.2Very low177 Ų177124.7 Ų124.778%0.77669%0.685SS**  trans89.5126.3-179.5-54.4-70.9000115.4
635H26.4Very low26.8Very low111 Ų111122.1 Ų122.151%0.51468%0.684SS.*  cis8911116.4-150-60.1000116.3Y633 D637Y633-H635 HydrophobicContact CE1-CB 4.18Å; H635-D637 IonicContact CE1-OD1 3.38Å; H635-D637 PolarHBondContact CE1-OD1 2.73Å; H635-D637 IonicContact CE1-OD2 3.91Å; H635-D637 PolarHBondContact CE1-OD2 2.74Å; H635-D637 VanDerWaalsContact CE1-OD2 3.25Å; H635-D637 IonicContact ND1-OD1 2.67Å; H635-D637 PolarHBondContact ND1-OD1 3.35Å; H635-D637 IonicContact ND1-OD2 2.68Å; H635-D637 PolarHBondContact ND1-OD2 2.86Å
636M28Very low26.7Very low162 Ų162128.7 Ų128.780%0.79870%0.697SS**  trans-159.7125.6148.2-75.2-66.39600104.5
637D24.1Very low26.6Very low79 Ų79126.9 Ų126.942%0.42270%0.695SS.*  cis89.9122.647-63.7-47.7000112.8H635H635-D637 IonicContact CE1-OD1 3.38Å; H635-D637 PolarHBondContact CE1-OD1 2.73Å; H635-D637 IonicContact CE1-OD2 3.91Å; H635-D637 PolarHBondContact CE1-OD2 2.74Å; H635-D637 VanDerWaalsContact CE1-OD2 3.25Å; H635-D637 IonicContact ND1-OD1 2.67Å; H635-D637 PolarHBondContact ND1-OD1 3.35Å; H635-D637 IonicContact ND1-OD2 2.68Å; H635-D637 PolarHBondContact ND1-OD2 2.86Å
638E29.1Very low26.4Very low183 Ų183130.4 Ų130.486%0.85570%0.701SS**  82.8145.3105.3-69.1-179.4149.200113.9
639E29.2Very low26.2Very low160 Ų160130.4 Ų130.475%0.74870%0.697SS**  cis-164.2161.4-2.4-178.1-175-132.800106
640E29.7Very low26.3Very low96 Ų96130.5 Ų130.545%0.44970%0.697SS.*  cis-98.7-173.3-5.7-92.9-173.5-161.100110.6N1136 S1137 Q1138E640-N1136 PolarHBondContact OE2-ND2 3.05Å; E640-S1137 WeakPolarHBondContact OE1-CB 3.2Å; E640-Q1138 PolarHBondContact OE1-NE2 3.19Å
641E31.1Very low26.3Very low126 Ų126129.9 Ų129.959%0.58969%0.689SS**  cis108.2-158.521.3-132.1-169.716500116.2N1136 S1137E641-N1136 WeakPolarHBondContact CB-OD1 3.16Å; E641-N1136 WeakPolarHBondContact CG-OD1 3.08Å; E641-N1136 WeakPolarHBondContact OE1-CA 3.5Å; E641-N1136 PolarHBondContact OE2-OD1 3.17Å; E641-S1137 VanDerWaalsContact OE2-CA 3.3Å; E641-S1137 WeakPolarHBondContact OE2-CA 3.43Å; E641-S1137 PolarHBondContact OE2-N 3.09Å
642E27.3Very low26.3Very low89 Ų89133.1 Ų133.142%0.41668%0.684SS.*  trans-92.6178.1-164.8-51.7-174.8157.700117.9N1134 I1135 N1136E642-N1134 PolarHBondContact OE2-ND2 3.03Å; E642-N1134 PolarHBondContact OE2-OD1 3.04Å; E642-I1135 PolarHBondContact OE1-N 3.22Å; E642-I1135 WeakPolarHBondContact OE2-CA 3.34Å; E642-I1135 PolarHBondContact OE2-N 2.83Å; E642-N1136 WeakPolarHBondContact CA-OD1 3.08Å; E642-N1136 HydrophobicContact CB-CB 3.92Å; E642-N1136 VanDerWaalsContact CB-OD1 3.27Å; E642-N1136 WeakPolarHBondContact CB-OD1 3.33Å; E642-N1136 HydrophobicContact CG-CB 3.91Å; E642-N1136 WeakPolarHBondContact CG-OD1 3.47Å; E642-N1136 PolarHBondContact N-OD1 3.32Å
643G26.9Very low26.5Very low69 Ų69131.3 Ų131.371%0.71167%0.671SS**  trans167.8106.1143.100000115.7
644V28.3Very low26.6Very low99 Ų99129.8 Ų129.860%0.668%0.675SS**  trans-108.4132.5-177.6-165.90000112.8N1134V644-N1134 WeakPolarHBondContact CG2-OD1 3.36Å
645L23.9Very low26.7Very low137 Ų137123.9 Ų123.972%0.71766%0.656SS**  trans147.1140.8136.3-84.9147.9000115.5
646Y24.6Very low26.8Very low226 Ų226125.3 Ų125.389%0.88667%0.667SS**  trans60.4155.5157.9-74.8-60.2000121.5
647G26.3Very low27.2Very low69 Ų69124.2 Ų124.271%0.71166%0.66SS**  trans112.957.214300000118.4
648Q24.1Very low27.7Very low171 Ų171126.1 Ų126.180%0.79968%0.677SS**  25.5154124.7-178.7165.2-19.200121.9
649D24.1Very low27.7Very low124 Ų124121.3 Ų121.366%0.66366%0.664SS**  trans85.9127.3175.8-57.2-34.1000114.5
650V27.7Very low27.6Very low118 Ų118122.8 Ų122.872%0.71567%0.668SS**  cis76.3116.242.1-178.60000109.1
651E25.4Very low27.4Very low155 Ų155126 Ų12672%0.72469%0.687SS**  cis-159.9-174.327.1-147.4175.8153.100113.7
652M26.1Very low27.1Very low147 Ų147127.2 Ų127.272%0.72469%0.693SS**  trans8397.1146.4-73168.5-169.900123.5
653S27.3Very low27Very low85 Ų85130.8 Ų130.859%0.59471%0.71SS**  78.9105.6107-62.50000124
654N24.3Very low27Very low142 Ų142132 Ų13276%0.75971%0.707SS**  48.4118.1114-72.7-19.1000122.6H1168N654-H1168 PolarHBondContact O-CE1 2.77Å; N654-H1168 PolarHBondContact O-ND1 3.39Å; N654-H1168 PolarHBondContact O-NE2 2.88Å
655S26.7Very low26.9Very low53 Ų53136.4 Ų136.437%0.37172%0.721SS.*  139.4102.1111.563.70000118.7H1168S655-H1168 PolarHBondContact N-CE1 2.82Å; S655-H1168 PolarHBondContact O-CE1 2.63Å; S655-H1168 PolarHBondContact O-ND1 3.45Å; S655-H1168 PolarHBondContact OG-ND1 3.17Å; S655-H1168 VanDerWaalsContact OG-ND1 3.17Å
656N29.1Very low27Very low141 Ų141132.2 Ų132.275%0.75471%0.711SS**  34.9135.5127.4-73.4-6.6000124.1
657Q36.7Very low27.2Very low139 Ų139126.8 Ų126.865%0.6571%0.706SS**  trans77.5147.4136-70.3-71.2-23.800117.1
658P34.4Very low27.2Very low120 Ų120131.7 Ų131.778%0.77971%0.708SS**  cis-137.3171.747.442.1-25000119.1
659S28.2Very low27.3Very low82 Ų82130.1 Ų130.157%0.57371%0.71SS**  trans-67.8-176.1159.2-37.40000112.2
660F28.6Very low27.5Very low190 Ų190129.6 Ų129.683%0.83372%0.716SS**  cis-165.6159.415.8-139.7-67.8000107.9
661L24.3Very low28.5Very low163 Ų163129.8 Ų129.885%0.85372%0.72SS**  trans-161.8-176.6150.7-114171.2000113.3
662Q26Very low28.5Very low152 Ų152131 Ų13171%0.7173%0.728SS**  trans-149.7166.7-140.2-158.6-168.7-54.600114.3
663E24.3Very low28.7Very low165 Ų165128.1 Ų128.177%0.77173%0.728SS**  trans76.4156.1160.3-55.8-151.794.200119.5
664S26Very low28.7Very low94 Ų94132.9 Ų132.966%0.65774%0.74SS**  cis-169.3173.8-31-166.70000110.9
665E26.7Very low29.9Very low191 Ų191131.1 Ų131.189%0.89374%0.737SS**  trans65.5155.3166.3-52.3-152118.500119.9
666G26.7Very low29.9Very low50 Ų50137.6 Ų137.652%0.51576%0.761SS.*  cis-176.9110.8-5.200000117.7K668G666-K668 PolarHBondContact O-NZ 3.46Å
667S29.2Very low29.7Very low112 Ų112136 Ų13678%0.78376%0.761SS**  trans59163.9143.7780000123.1
668K24.8Very low30Very low171 Ų171134.6 Ų134.674%0.74376%0.764SS**  trans127.5143.2171-70147.9-148.680.80110.2G666G666-K668 PolarHBondContact O-NZ 3.46Å
669T27.2Very low29.6Very low139 Ų139134.9 Ų134.985%0.85376%0.764SS**  cis-164.2159.4-1319.40000108.6
670S28.3Very low29.6Very low112 Ų112138.5 Ų138.578%0.78377%0.771SS**  trans-152.5154.5174.961.70000113.7
671P47.7Very low29.6Very low122 Ų122135.7 Ų135.779%0.79277%0.765SS**  -134.4-158.5104.340.3-27.1000110.6
672M25.2Very low29.7Very low180 Ų180135.8 Ų135.889%0.88776%0.761SS**  cis-155.7167.23.8-158.3167.769.600109.9
673A30.3Very low29.7Very low88 Ų88136.6 Ų136.673%0.72776%0.763SS**  trans-161-169.9179.700000114.3
674Q27.1Very low29.8Very low184 Ų184135.8 Ų135.886%0.8676%0.759SS**  trans83.5166.6159-74.2-164.9-10.800119.4
675P50.1Low29.8Very low106 Ų106138.6 Ų138.669%0.68876%0.762SS**  cis-122.4-171.77.636.8-15.4000114.1
676Q26.4Very low29.9Very low189 Ų189137.1 Ų137.188%0.88376%0.758SS**  cis-141.3171.124.3-67.2179.6-24.800114.4
677S26.6Very low29.9Very low106 Ų106144.1 Ų144.174%0.74177%0.774SS**  trans-136.5-162.3-179680000110.2
678P42.8Very low29.8Very low110 Ų110143 Ų14371%0.71477%0.772SS**  cis-106.3-139.329.5178.6000112.3
679T25.7Very low30Very low126 Ų126139.9 Ų139.977%0.77377%0.771SS**  cis-161.7179.69.6-33.50000110.4
680Q28.2Very low30Very low158 Ų158142.7 Ų142.774%0.73877%0.772SS**  -162.5128.7-95.6173.9176.9-104.100112.6
681N27.4Very low29.9Very low131 Ų131141.6 Ų141.670%0.70176%0.764SS**  trans65.8167.4167.7-57-14.6000116.5
682Q27.5Very low29.2Very low166 Ų166143.5 Ų143.578%0.77676%0.764SS**  cis-157.5151.111.9-148.917014.600114.5
683F25.8Very low29.2Very low169 Ų169140.5 Ų140.574%0.74175%0.752SS**  trans8.4141.7151.3-71.4-119000124.6
684Q26.8Very low29.2Very low148 Ų148143.8 Ų143.869%0.69276%0.757SS**  trans86140.8130.1-79.6177.6-10.300125.2
685H26.1Very low29.2Very low153 Ų153137.7 Ų137.771%0.70874%0.743SS**  trans18.7139.7147.4-49.8-53.3000122
686I28.4Very low28.3Very low160 Ų160139.1 Ų139.182%0.82175%0.75SS**  -164.5155.7102.2-99158000111
687K26Very low28.5Very low197 Ų197135.8 Ų135.886%0.85774%0.743SS**  trans-113.2165.8171.4-76.7-175.6175.7-177.90109.3
688A27.4Very low28.7Very low89 Ų89138.4 Ų138.474%0.73674%0.743SS**  trans71.3160.7160.700000114.4
689S28.8Very low28.1Very low104 Ų104139.6 Ų139.673%0.72774%0.743SS**  cis-177171.6-23.3-910000106.5
690K28.4Very low28.4Very low199 Ų199140.4 Ų140.487%0.86574%0.739SS**  trans66.3170160.3-77179.3178.5-176.20114.2
691S26.2Very low28.6Very low89 Ų89139.2 Ų139.262%0.62273%0.733SS**  cis-173.3173.6-31.756.40000108.2
692M31.3Very low28.8Very low161 Ų161139.9 Ų139.979%0.79373%0.731SS**  trans75.7153.7173.1-51.2-61.4-75.500114.7
693D26.9Very low29.3Very low117 Ų117137.2 Ų137.263%0.62673%0.726SS**  cis152147.3-30.4177.745.2000109.1
694L28.6Very low29.7Very low158 Ų158135.4 Ų135.483%0.82773%0.729SS**  trans47.8119.6172-74.7168.1000121.2
695G28.2Very low30.3Very low56 Ų56132.5 Ų132.558%0.57773%0.73SS**  129.9121.2117.200000120
696T31Very low30.6Very low136 Ų136131.8 Ų131.883%0.83473%0.732SS**  trans66.4147.2139.860.80000119.2
697T31.3Very low31.1Very low119 Ų119132 Ų13273%0.7373%0.729SS**  cis-166.9161.2-2.712.80000112.2
698Q29.3Very low31.8Very low161 Ų161127.3 Ų127.375%0.75272%0.722SS**  trans72.890.3138.9-168.8172.7-7.400122.5
699N31.9Very low32Very low134 Ų134130 Ų13072%0.71772%0.723SS**  48.4124103.1-166.918.2000120.9
700Q31.6Very low32.3Very low144 Ų144130.6 Ų130.667%0.67372%0.723SS**  171.1131113.7-90.5-173.89.300119
701H32.3Very low32.6Very low132 Ų132122.4 Ų122.461%0.61169%0.694SS**  trans80.9133.3136.3-82.2-68.3000128.9
702H30.5Very low32.8Very low145 Ų145120.6 Ų120.667%0.67168%0.681SS**  trans74.5112.9143.6-73.1-52.6000121.4
703T38.6Very low32.9Very low110 Ų110118 Ų11868%0.67567%0.671SS**  85.9146.259.759.30000114.9
704V34.4Very low33Very low132 Ų132118.7 Ų118.780%0.867%0.674SS**  cis-160.8162.813.8-119.80000113.1
705A39.8Very low33Very low86 Ų86115 Ų11571%0.71167%0.674SS**  trans70153.8147.600000120.8
706D31.5Very low33Very low138 Ų138117.3 Ų117.374%0.73868%0.681SS**  cis-154.2170.85.4-136.3-31.3000116.4
707E40.1Very low32.7Very low164 Ų164117 Ų11777%0.76668%0.679SS**  trans3157164.365.4-173.3162.400125.6
708S39.1Very low32.4Very low100 Ų100117.1 Ų117.170%0.69969%0.685SS**  cis-171.1163.1-1958.10000116.2
709N32.9Very low32.5Very low145 Ų145111 Ų11178%0.77566%0.662SS**  trans92.3128.4139.6-110.34.3000129.1
710V34.1Very low32.8Very low117 Ų117108.6 Ų108.671%0.70965%0.654SS**  trans62.6143.5148.9-61.70000128.5
711G35.5Very low32.5Very low26 Ų26104.5 Ų104.527%0.26864%0.641SS.*  trans-130.8-143.7171.700000113.6Q742G711-Q742 PolarHBondContact O-NE2 2.96Å
712S30.5Very low32.3Very low51 Ų51103.8 Ų103.836%0.35764%0.639SS.*  cis-157.6156.7-8.1-61.70000112.9Q742 M745S712-Q742 CarbonylContact C-O 3.58Å; S712-Q742 WeakPolarHBondContact CA-O 3.49Å; S712-M745 WeakPolarHBondContact OG-CB 3.5Å
713L32.7Very low32.6Very low108 Ų108101.7 Ų101.757%0.56564%0.638SS**  trans132.7157.1159.8-72.2166.1000122.5Q742 T743L713-Q742 PolarHBondContact N-O 3.14Å; L713-T743 VanDerWaalsContact C-CA 3.49Å; L713-T743 WeakPolarHBondContact O-CA 3.22Å; L713-T743 VanDerWaalsContact O-CB 3.23Å; L713-T743 WeakPolarHBondContact O-CB 3.39Å; L713-T743 PolarHBondContact O-N 2.92Å; L713-T743 VanDerWaalsContact O-N 3.13Å; L713-T743 PolarHBondContact O-OG1 3.5Å
714D29.3Very low32.2Very low131 Ų131102.9 Ų102.970%0.70164%0.639SS**  trans-35177.3-172.7-45-35.6000125.6
715G29.6Very low32Very low80 Ų80104.1 Ų104.183%0.82564%0.636SS**  trans156.4116.8147.800000120.6
716S26.9Very low31.5Very low104 Ų104107.4 Ų107.473%0.72764%0.641SS**  trans-83.7154.7-170.553.80000121.3
717T26Very low31.6Very low129 Ų129104 Ų10479%0.79164%0.638SS**  trans64.7144.714152.60000125.6
718S24.6Very low32.3Very low123 Ų123102 Ų10286%0.8664%0.639SS**  trans86.9156.415178.30000121.1
719A30.9Very low32Very low32 Ų32104.2 Ų104.226%0.26465%0.649SS.*  trans-122.2161.818000000110F932A719-F932 HydrophobicContact CB-CD1 4.09Å; A719-F932 HydrophobicContact CB-CD2 3.24Å; A719-F932 HydrophobicContact CB-CE1 4.1Å; A719-F932 HydrophobicContact CB-CE2 3.29Å; A719-F932 HydrophobicContact CB-CG 3.71Å; A719-F932 HydrophobicContact CB-CZ 3.74Å
720P38.6Very low32.3Very low83 Ų83106.3 Ų106.354%0.53966%0.659SS.*  -160176.776.842.5-21.3000119.6H931 R1049P720-H931 HydrophobicContact CB-CB 4.34Å; P720-H931 WeakPolarHBondContact CB-ND1 3.17Å; P720-H931 WeakPolarHBondContact CG-ND1 3.23Å; P720-R1049 VanDerWaalsContact CB-NH2 3.28Å
721C24Very low32.3Very low59 Ų59104.2 Ų104.240%0.39966%0.662SS.*  trans41120.8150.4-95.20000124.5R1049C721-R1049 PolarHBondContact SG-NH1 2.68Å; C721-R1049 VanDerWaalsContact SG-NH1 3.39Å
722M29.6Very low32.5Very low116 Ų116110.9 Ų110.957%0.57169%0.69SS**  trans55.2153.7131.1-59.8-56.7-75.500120.7R1042M722-R1042 PolarHBondContact SD-NH1 2.71Å; M722-R1042 VanDerWaalsContact SD-NH1 3.39Å
723P37.1Very low32.6Very low101 Ų101117.6 Ų117.666%0.65671%0.713SS**  cis-144.8174.924.545.3-26.1000119
724I29.4Very low32.8Very low135 Ų135122 Ų12269%0.69273%0.727SS**  trans63.8123.1139-75.8167.6000122.8
725E29.4Very low33Very low159 Ų159120.9 Ų120.974%0.74373%0.73SS**  trans76.3141146.2-86.6-174.2117.400126.4
726L29.8Very low33.4Very low154 Ų154122.4 Ų122.481%0.80673%0.728SS**  trans61.1114.7148.5-63.2165.6000120.9
727G33Very low33.9Very low66 Ų66122.5 Ų122.568%0.6873%0.729SS**  trans-100.9-155.3148.400000111.1
728P55.3Low34.9Very low123 Ų123122.7 Ų122.780%0.79972%0.724SS**  cis-131.3127.2-20.934.8-18.3000112
729T33.5Very low36.3Very low147 Ų147123.8 Ų123.890%0.90272%0.716SS**  trans-136.3145.2171.952.30000113.4
730L38.4Very low36.7Very low188 Ų188127.4 Ų127.498%0.98474%0.739SS**  trans-77.7117.9-179.5-65.3161.8000110.1
731G34.8Very low37Very low74 Ų74129.4 Ų129.476%0.76375%0.745SS**  trans-143.9112.5-172.300000114.8
732L38.9Very low38Very low166 Ų166130.7 Ų130.787%0.86975%0.745SS**  trans-63.9165.9178.1-65.4157000114.8
733K33.1Very low38.9Very low191 Ų191128.4 Ų128.483%0.8374%0.738SS**  trans89.1136.7169.8-51165.3-175.9174.40112.7
734K36.5Very low39.2Very low201 Ų201127 Ų12787%0.87473%0.734SS**  59124.255.6-61.8-171.3178.9-170.80110.8
735S33.2Very low39.7Very low107 Ų107125.5 Ų125.575%0.74873%0.725SS**  cis-169.8152.411.545.10000113.1
736S38Very low40.3Very low112 Ų112121.5 Ų121.578%0.78372%0.715SS**  trans44.9116.6134.6-171.20000121.5
737S38.8Very low41Very low107 Ų107123 Ų12375%0.74872%0.718SS**  trans-157110.4136.3-162.60000108.5
738L45.2Very low41.3Very low133 Ų133126.5 Ų126.570%0.69673%0.726SS**  99.7-268.4-116.6169.8000116.4
739E54.7Low40.4Very low146 Ų146127.8 Ų127.868%0.68273%0.726SS**SBendtrans-90.5-58.7171.1-126.682.7167.500112.5L741 Q742E739-L741 PolarHBondContact O-N 3.22Å; E739-Q742 PolarHBondContact O-N 2.75Å; E739-Q742 VanDerWaalsContact O-N 3.12Å
740S40.4Very low40.5Very low108 Ų108129.8 Ų129.876%0.75572%0.722SS**THydrogen-bonded Turntrans-69.5-2.2-166.4-43.10000116.4
741L43.6Very low40.4Very low125 Ų125130.2 Ų130.265%0.65472%0.716SS**THydrogen-bonded Turntrans-77.5-12.7173.1-121.6169.6000112.1E739E739-L741 PolarHBondContact O-N 3.22Å
742Q45Very low40.2Very low85 Ų85133.2 Ų133.240%0.39771%0.714SS.*THydrogen-bonded Turntrans-75-49.6179.6-69.9-169.5-56.700111.7G711 S712 L713 E739 A744 M745G711-Q742 PolarHBondContact O-NE2 2.96Å; S712-Q742 CarbonylContact C-O 3.58Å; S712-Q742 WeakPolarHBondContact CA-O 3.49Å; L713-Q742 PolarHBondContact N-O 3.14Å; E739-Q742 PolarHBondContact O-N 2.75Å; E739-Q742 VanDerWaalsContact O-N 3.12Å; Q742-A744 PolarHBondContact O-N 3.25Å; Q742-M745 PolarHBondContact O-N 3.25Å
743T48.3Very low39.8Very low69 Ų69132.5 Ų132.542%0.42371%0.707SS.*G310 helixtrans-53.2-37.9-176-37.20000114.5L713 M745L713-T743 VanDerWaalsContact C-CA 3.49Å; L713-T743 WeakPolarHBondContact O-CA 3.22Å; L713-T743 VanDerWaalsContact O-CB 3.23Å; L713-T743 WeakPolarHBondContact O-CB 3.39Å; L713-T743 PolarHBondContact O-N 2.92Å; L713-T743 VanDerWaalsContact O-N 3.13Å; L713-T743 PolarHBondContact O-OG1 3.5Å; T743-M745 VanDerWaalsContact C-N 3.28Å; T743-M745 PolarHBondContact O-N 3.25Å
744A44.5Very low39.7Very low70 Ų70131.6 Ų131.658%0.57971%0.708SS**G310 helixtrans-71-11.5-171.800000115.8Q742Q742-A744 PolarHBondContact O-N 3.25Å
745M39.3Very low39.7Very low104 Ų104129.4 Ų129.451%0.51271%0.705SS.*G310 helixtrans-88.5-1.8-171-81-147.4167.400116.3S712 Q742 T743S712-M745 WeakPolarHBondContact OG-CB 3.5Å; Q742-M745 PolarHBondContact O-N 3.25Å; T743-M745 VanDerWaalsContact C-N 3.28Å; T743-M745 PolarHBondContact O-N 3.25Å
746S41.3Very low40.2Very low75 Ų75129.3 Ų129.352%0.52470%0.701SS.*THydrogen-bonded Turntrans-90.4-25.8-173.5-63.10000115.9
747E45.3Very low39.9Very low185 Ų185132.3 Ų132.386%0.86470%0.701SS**THydrogen-bonded Turntrans-113.6-16.2-170.4-67.2-152.9120.300116.6N749E747-N749 PolarHBondContact O-N 2.99Å
748V39.6Very low39.6Very low140 Ų140136.3 Ų136.385%0.84871%0.707SS**THydrogen-bonded Turntrans-87.448.4176.3-163.60000111.5
749N35.8Very low39.1Very low151 Ų151141.1 Ų141.181%0.80772%0.716SS**THydrogen-bonded Turntrans-143.735.6172.5-151.61.9000115E747E747-N749 PolarHBondContact O-N 2.99Å
750K36.8Very low39.6Very low189 Ų189139.7 Ų139.782%0.82272%0.72SS**SBendtrans-141.693.6157.5-107.3173.5-172.9168.20110.9
751K36.1Very low39.2Very low196 Ų196146.2 Ų146.285%0.85273%0.728SS**  trans70.7105.9167.7-57.5-177.7-179.5-178.40112.3
752N29.6Very low39.7Very low137 Ų137145 Ų14573%0.73373%0.727SS**  cis50.5133.148.9-99.720.3000111.7
753E30.1Very low39.1Very low151 Ų151148.3 Ų148.371%0.70675%0.748SS**  cis-157167.931.3-140.1147.3-103.200113.1
754M31.1Very low38.2Very low172 Ų172154 Ų15485%0.84777%0.771SS**  trans76.576.7165.9-59.5-161.2172.800121
755L37.8Very low38.2Very low155 Ų155157 Ų15781%0.81278%0.782SS**  -57.1169.6125.5-70.4172000110.5
756P43.7Very low38.1Very low105 Ų105163.5 Ų163.568%0.68280%0.801SS**  cis-154.2174.83440-15.9000121
757F30.9Very low37.7Very low175 Ų175163.5 Ų163.577%0.76881%0.813SS**  trans23.3131148.4-55.4-53.4000122.3
758H32.9Very low37.8Very low191 Ų191167.1 Ų167.188%0.88482%0.819SS**  -164.3-173.584.3-117.4-22.1000115.3
759R34.5Very low37.7Very low235 Ų235164.2 Ų164.289%0.88782%0.818SS**  trans-98.9165.4-161.9-102.6-169.8172.1128.6-1.1115.4
760P64.8Low38.2Very low116 Ų116162.5 Ų162.575%0.75382%0.816SS**  trans-97.3169.8-160.639-39.2000115.8
761R32.9Very low39.1Very low245 Ų245158.4 Ų158.493%0.92580%0.803SS**  trans-149.2164.4152.8-86.9-128.9167.6-178.2-1.6112
762P53.1Low39.6Very low99 Ų99157.4 Ų157.464%0.64380%0.802SS**  trans-117.1-177.2-146.844-36.4000115.7
763N32.4Very low40.9Very low155 Ų155155.4 Ų155.483%0.82980%0.798SS**  trans66.3113.3164.7-58.3-10000116.9
764M29.9Very low41.8Very low187 Ų187154.8 Ų154.892%0.92179%0.793SS**  -167.6162.193.3-162.615160.100111.7
765V43.8Very low43.3Very low134 Ų134155.2 Ų155.281%0.81279%0.785SS**  trans-74.7144176.9178.10000111.1
766R37.8Very low44.1Very low240 Ų240150.3 Ų150.391%0.90677%0.768SS**  152.380.3125.6-166.4-178.4-162.5-175.35.1116.4
767G33Very low44.8Very low75 Ų75148 Ų14877%0.77376%0.758SS**  73.9154.3125.400000122.9
768R48Very low46.3Very low261 Ų261144.1 Ų144.199%0.98574%0.744SS**  trans69.5116.1168.1-62.7-175.5172.8-166.7-3.3117.8
769G37.3Very low47.4Very low80 Ų80140.1 Ų140.183%0.82573%0.729SS**  trans-178.899165.100000109.3
770C45.3Very low48.5Very low115 Ų115137.8 Ų137.878%0.77773%0.725SS**  trans-97.3159.2-177.1-58.60000111.4
771N55.1Low47.9Very low103 Ų103136.9 Ų136.955%0.55172%0.722SS**  trans69.842.5157.1-60.17000118F774N771-F774 HydrophobicContact CB-CB 3.86Å
772E47.6Very low48.7Very low175 Ų175135.2 Ų135.282%0.81872%0.717SS**Hα-helixtrans-63.9-45.1159.5-175167.1-147.700111.1F774 R775 A776E772-F774 VanDerWaalsContact C-N 3.25Å; E772-F774 PolarHBondContact O-N 2.84Å; E772-R775 PolarHBondContact O-N 3.21Å; E772-R775 VanDerWaalsContact O-N 3.12Å; E772-A776 PolarHBondContact O-N 3.36Å
773S57.4Low48.6Very low94 Ų94137.7 Ų137.766%0.65772%0.724SS**Hα-helixtrans-58.3-30.9176.851.80000114.5R775 A777S773-R775 VanDerWaalsContact C-N 3.35Å; S773-A777 PolarHBondContact O-N 3.16Å
774F48.1Very low49.6Very low139 Ų139132.7 Ų132.761%0.6171%0.71SS**Hα-helixtrans-76.6-22.9-179.4-144.3-84.6000112.7N771 E772 I778N771-F774 HydrophobicContact CB-CB 3.86Å; E772-F774 VanDerWaalsContact C-N 3.25Å; E772-F774 PolarHBondContact O-N 2.84Å; F774-I778 HydrophobicContact CD1-CD1 4.36Å
775R62Low50.9Low180 Ų180130 Ų13068%0.67971%0.706SS**Hα-helixtrans-79.7-46.9173-60.6-175.569.7162.72110.6E772 S773 A777 I778 D779E772-R775 PolarHBondContact O-N 3.21Å; E772-R775 VanDerWaalsContact O-N 3.12Å; S773-R775 VanDerWaalsContact C-N 3.35Å; R775-A777 PolarHBondContact O-N 2.96Å; R775-I778 PolarHBondContact O-N 3.24Å; R775-D779 PolarHBondContact O-N 3.16Å
776A56Low50.8Low53 Ų53128.4 Ų128.444%0.43871%0.707SS.*Hα-helixtrans-58.5-21.7177.300000114.7E772 K780E772-A776 PolarHBondContact O-N 3.36Å; A776-K780 WeakPolarHBondContact O-CG 3.29Å
777A57Low50.8Low57 Ų57125.2 Ų125.247%0.47170%0.703SS.*Hα-helixtrans-80.3-36172.800000113.4S773 R775 S781S773-A777 PolarHBondContact O-N 3.16Å; R775-A777 PolarHBondContact O-N 2.96Å; A777-S781 PolarHBondContact O-OG 3.13Å
778I63.3Low51.1Low93 Ų93129.2 Ų129.248%0.47771%0.706SS.*Hα-helixtrans-74.5-45.1178.2-66.4174.5000110.2F774 R775 K780 S781F774-I778 HydrophobicContact CD1-CD1 4.36Å; R775-I778 PolarHBondContact O-N 3.24Å; I778-K780 PolarHBondContact O-N 2.9Å; I778-S781 WeakPolarHBondContact O-CB 3.18Å; I778-S781 PolarHBondContact O-N 3.35Å
779D56.4Low50.6Low106 Ų106123.8 Ų123.857%0.56770%0.697SS**Hα-helixtrans-62.8-32.7-177.3-60.6-27.4000111.7R775 S781R775-D779 PolarHBondContact O-N 3.16Å; D779-S781 PolarHBondContact O-N 3.28Å
780K57.3Low50.5Low187 Ų187126.6 Ų126.681%0.81369%0.693SS**THydrogen-bonded Turntrans-73.5-5.8172.5-77.3-172.8174.1-171.30115.4A776 I778A776-K780 WeakPolarHBondContact O-CG 3.29Å; I778-K780 PolarHBondContact O-N 2.9Å
781S51.8Low50.2Low97 Ų97128.6 Ų128.668%0.67870%0.696SS**THydrogen-bonded Turntrans-106.40.4-177.4-54.70000113.3A777 I778 D779A777-S781 PolarHBondContact O-OG 3.13Å; I778-S781 WeakPolarHBondContact O-CB 3.18Å; I778-S781 PolarHBondContact O-N 3.35Å; D779-S781 PolarHBondContact O-N 3.28Å
782Y50.8Low49.1Very low209 Ų209132.4 Ų132.482%0.8271%0.71SS**THydrogen-bonded Turntrans-121-8.7-176.7-106.1-80.2000114.8G784Y782-G784 VanDerWaalsContact C-N 3.3Å; Y782-G784 PolarHBondContact O-N 3.05Å
783D50.8Low48.4Very low151 Ų151127.3 Ų127.381%0.80771%0.705SS**  trans-84.171.9178.2-158.833.7000110.6
784G53.5Low47.1Very low51 Ų51128.1 Ų128.153%0.52671%0.711SS.*PPolyproline II helixtrans-74.2143.6167.200000110.3Y782 A786Y782-G784 VanDerWaalsContact C-N 3.3Å; Y782-G784 PolarHBondContact O-N 3.05Å; G784-A786 PolarHBondContact O-N 2.65Å
785P57Low46.1Very low129 Ų129128.2 Ų128.284%0.83871%0.713SS**PPolyproline II helixtrans-56.1122.8178.2-24.334000111.3
786A40.8Very low44.5Very low101 Ų101126.5 Ų126.584%0.83572%0.717SS**PPolyproline II helixtrans-72.3140172.600000110.5G784G784-A786 PolarHBondContact O-N 2.65Å
787E39Very low43.4Very low173 Ų173129 Ų12981%0.80873%0.731SS**  trans-86.7-174.6176.9-57.6-174.4111.900111.8
788D37.9Very low42.1Very low160 Ų160131.9 Ų131.986%0.85675%0.747SS**  trans74143.8170.2-49.8-16000116.5
789D38.1Very low40.4Very low146 Ų146131 Ų13178%0.78176%0.761SS**  cis-170167.5-15-158.226.7000104.9
790D35.5Very low39.1Very low140 Ų140136.4 Ų136.475%0.74977%0.774SS**  cis-90.5-152-2.2-31.6-112.5000111.9
791D38.2Very low37.9Very low156 Ų156133.2 Ų133.283%0.83477%0.765SS**  cis-142.7160.211.3-149.1-12.6000114.2
792E33.6Very low37.2Very low183 Ų183134.7 Ų134.786%0.85577%0.771SS**  trans-88106.6-144.6-171.5-176.4-168.400118.3
793G32.3Very low36.8Very low69 Ų69130.2 Ų130.271%0.71177%0.767SS**  trans84.1173138.500000120.5
794S29Very low35.6Very low111 Ų111127 Ų12778%0.77676%0.761SS**  cis-158.81624.5-75.10000114.7
795E28.3Very low34.3Very low141 Ų141130.6 Ų130.666%0.65978%0.778SS**  trans82.499.4157.8-60.7-146.2163.700122.4K824E795-K824 IonicContact OE1-NZ 3.43Å
796L27.4Very low33Very low144 Ų144129.7 Ų129.775%0.75478%0.776SS**  81.997.4121.9-61173.7000123.6
797S33.3Very low32.7Very low104 Ų104129.7 Ų129.773%0.72777%0.769SS**  -170.9123.5122.7-170.30000108.2
798S28.9Very low32.7Very low118 Ų118126.4 Ų126.483%0.82577%0.766SS**  64.3125.559.5100.20000113.5
799G28.9Very low32.4Very low74 Ų74127.4 Ų127.476%0.76376%0.757SS**  cis-141.1174.9-5.500000110.4
800R29.3Very low31.9Very low221 Ų221129.6 Ų129.683%0.83476%0.763SS**  cis103.7121.533.4-174.2177.1171.8157.27.9112.8
801D31Very low31.5Very low119 Ų119125.7 Ų125.764%0.63676%0.756SS**  trans63.2137.8159.6-58.4-4.5000122.4
802T37Very low31Very low129 Ų129125.7 Ų125.779%0.79176%0.755SS**  trans-61.4179.4150.556.80000112
803P42.8Very low30.8Very low114 Ų114120.2 Ų120.274%0.7474%0.741SS**  cis-141.9-165.89.142.4-21.4000115.1
804A25.9Very low30.8Very low83 Ų83123.4 Ų123.469%0.68674%0.742SS**  trans55133.9140.500000123.2
805S26.9Very low31.1Very low127 Ų127125.8 Ų125.889%0.88874%0.74SS**  trans72.2140.5147.6-640000120.3
806S29.3Very low31.2Very low111 Ų111124.6 Ų124.678%0.77674%0.743SS**  trans-88.6163.617953.30000113.4
807S34.9Very low31.6Very low100 Ų100125.7 Ų125.770%0.69974%0.744SS**  trans106.5133.3133.9-148.30000120.1
808S39.2Very low31.6Very low105 Ų105126.9 Ų126.973%0.73474%0.738SS**  trans58.9129.9146.8-67.70000122.4
809R30.4Very low31.9Very low181 Ų181128.5 Ų128.568%0.68373%0.73SS**  -153.1151.1111.6-106.5162.8-178.7-139.7-9.6108.1L812 A813R809-L812 PolarHBondContact NH2-O 3.21Å; R809-A813 PolarHBondContact NH1-O 3.2Å; R809-A813 PolarHBondContact NH2-O 2.82Å
810Q28.2Very low32.1Very low192 Ų192129.9 Ų129.990%0.89772%0.724SS**  -132.8130.263.3-163.470.3-16.700113.7
811G27.1Very low32.3Very low58 Ų58128 Ų12860%0.59872%0.722SS**SBendtrans-16936.7-172.900000116
812L28.3Very low32.3Very low156 Ų156130.2 Ų130.282%0.81773%0.726SS**  trans68.6160.2170.7-74.6132.3000119.8R809R809-L812 PolarHBondContact NH2-O 3.21Å
813A29.3Very low31.9Very low68 Ų68130.9 Ų130.956%0.56272%0.72SS**  trans73.9112.8170.500000121.1R809R809-A813 PolarHBondContact NH1-O 3.2Å; R809-A813 PolarHBondContact NH2-O 2.82Å
814D31.3Very low31.3Very low136 Ų136131.8 Ų131.873%0.72771%0.712SS**  trans62.3115.1130.8-73.734.9000128.5
815Q34.3Very low31.6Very low161 Ų161136 Ų13675%0.75272%0.715SS**  80.4120.7129.6-61.7-174.667.200124.9
816T32.4Very low31.7Very low116 Ų116138.4 Ų138.471%0.71271%0.71SS**  trans63.9149.8159.6580000122.3
817E33.8Very low31.6Very low167 Ų167140.2 Ų140.278%0.7870%0.704SS**  cis101.5136.47.4-63.9165.797.500116.3
818E35.2Very low31.4Very low129 Ų129141.1 Ų141.160%0.60370%0.697SS**  cis-168.8172.2-0.7-141.5-163.6134.700114.5
819K33.8Very low30.8Very low151 Ų151143.8 Ų143.866%0.65770%0.695SS**  trans71.5161.3151.6-79160.1171.9123.70123.2
820T33.6Very low30.6Very low103 Ų103140.7 Ų140.763%0.63270%0.696SS**  cis-175.4161.3-44.337.90000113.8
821K33.9Very low30.5Very low181 Ų181140.6 Ų140.679%0.78769%0.693SS**  trans77.9159.9149.9-75.2158.7-178.2170.80120
822K30.3Very low30.7Very low166 Ų166146.5 Ų146.572%0.72270%0.702SS**  cis-157168.80.8-136.9177.4-178.8-92.20115.7
823E29.3Very low30.6Very low144 Ų144146 Ų14667%0.67369%0.694SS**  trans-36.2178.8163.9-68.6172.6102.500122.5
824K30.4Very low30.4Very low132 Ų132149.9 Ų149.957%0.57470%0.7SS**  cis176.5150.8-27.3-171.9170.9179.9166.20110.9E795E795-K824 IonicContact OE1-NZ 3.43Å
825K31.5Very low30.2Very low173 Ų173152.7 Ų152.775%0.75271%0.706SS**  trans82.5124.2151.5-121.3173.3-174.8170.80123.8
826K29.1Very low29.8Very low176 Ų176152.1 Ų152.177%0.76571%0.708SS**  135.5132.8103.6-152.9-171.9-179.2-177.90119.7
827K27.4Very low29.4Very low150 Ų150156 Ų15665%0.65272%0.715SS**  trans76.1100.4149.8-105.5-166.5173.5-79.70123.9
828E29.8Very low29.1Very low119 Ų119151.2 Ų151.256%0.55671%0.71SS**  57.3131.6103.9-147.3-156.9155.700124.6
829K26.1Very low28.6Very low161 Ų161155.2 Ų155.270%0.773%0.725SS**  trans89.7108.4144.2-103.8-173.3-173.386.20123.6
830T27.2Very low28.4Very low115 Ų115151.7 Ų151.771%0.70673%0.732SS**  trans75.4105.7135.341.10000124.5
831K26.5Very low28Very low190 Ų190156.8 Ų156.883%0.82675%0.746SS**  89129.3109.3-154.3168-167.3164.50121.2
832K30.1Very low27.7Very low182 Ų182155.5 Ų155.579%0.79174%0.742SS**  trans91.195.6150.4-111-174.4177.3-178.40121.9
833K26.7Very low27.6Very low146 Ų146155.1 Ų155.164%0.63574%0.741SS**  76.2125.4112.7-170.8172.9-166.7-83.60121.6
834E25.9Very low27.5Very low150 Ų150155 Ų15570%0.70174%0.74SS**  trans64.2132.8161.5-74.9162-179.400116.8
835K26.2Very low27.5Very low195 Ų195155.7 Ų155.785%0.84874%0.743SS**  -162.5165.356.3-140.2167.8-170.31710113.8
836N25.7Very low27.4Very low149 Ų149156.7 Ų156.780%0.79775%0.747SS**  trans-39.9140.7165.1-62.4-38.5000113.2
837K24.5Very low27.6Very low198 Ų198155.8 Ų155.886%0.86174%0.744SS**  -167143.177.8-97.8-179.6174.4178.30112.5
838G27.3Very low27.7Very low65 Ų65152.1 Ų152.167%0.6774%0.741SS**  trans-91.4149.3137.800000110.2
839K25.6Very low27.6Very low213 Ų213153 Ų15393%0.92675%0.745SS**  trans155.9135.8146.1-92.3179.2179.5-1720112
840G28.3Very low27.8Very low78 Ų78153 Ų15380%0.80475%0.748SS**  trans82.3136.8133.400000118.3
841K25.9Very low28Very low210 Ų210152 Ų15291%0.91374%0.742SS**  trans-67.2137.1162.1-56.6170.8179.2177.20109.4
842E28.1Very low28.2Very low154 Ų154150.7 Ų150.772%0.7274%0.738SS**  -167.3145.6123.4-110.7-160.9124.100114.1
843K26.8Very low28.6Very low157 Ų157149.5 Ų149.568%0.68374%0.736SS**  trans42.8125.1150.2-72.8176.9178.2136.10122.6
844E27.9Very low28.9Very low142 Ų142147.2 Ų147.266%0.66473%0.734SS**  trans70.6148.8130.9-69.1-156.896.100120
845K30Very low29.5Very low147 Ų147146.7 Ų146.764%0.63973%0.732SS**  cis-175132.6-8158.7-169.4-116.81530110.4
846K31Very low30.5Very low193 Ų193144 Ų14484%0.83972%0.72SS**  trans61.3166.4166.2-67.2176.6178.3-172.20115.6
847K31.4Very low31.1Very low158 Ų158146.4 Ų146.469%0.68772%0.723SS**  cis-141149.1-14.7-152-160.9170.2-144.90105.6E849K847-E849 WeakPolarHBondContact CE-OE2 3.38Å; K847-E849 IonicContact NZ-OE1 3.97Å; K847-E849 PolarHBondContact NZ-OE1 3.17Å; K847-E849 IonicContact NZ-OE2 2.88Å; K847-E849 PolarHBondContact NZ-OE2 3.48Å
848A30.1Very low31.6Very low73 Ų73140.4 Ų140.460%0.60372%0.718SS**  143.8132.797.900000106.7
849E27.5Very low32.7Very low136 Ų136147.1 Ų147.164%0.63673%0.729SS**  79.7121.477-149.9166-156.500110.5K847K847-E849 WeakPolarHBondContact CE-OE2 3.38Å; K847-E849 IonicContact NZ-OE1 3.97Å; K847-E849 PolarHBondContact NZ-OE1 3.17Å; K847-E849 IonicContact NZ-OE2 2.88Å; K847-E849 PolarHBondContact NZ-OE2 3.48Å
850E31.1Very low33.6Very low161 Ų161145.7 Ų145.775%0.75272%0.722SS**  cis-160.6-162.7-4.4-140-174.1146.900112.6
851T31.1Very low34Very low95 Ų95149.5 Ų149.558%0.58372%0.722SS**  trans-31.8173.1167.442.40000119.4
852E31.1Very low34.3Very low162 Ų162142.5 Ų142.576%0.75771%0.71SS**  cis-159-169.98.9-132.5157.6175.400114.4
853E38.3Very low34.4Very low157 Ų157145.4 Ų145.473%0.73472%0.721SS**  trans-57.8-166.3179.6-53.6175144.600117.2
854T34Very low34.5Very low98 Ų98142.2 Ų142.260%0.60172%0.724SS**  cis-164.2152.618.512.60000113.3
855E37.3Very low34.9Very low139 Ų139142.3 Ų142.365%0.6573%0.728SS**  trans60.9166.5136.9-62.7-167.6-177.100123.8
856K47.7Very low35.1Very low138 Ų138141.4 Ų141.460%0.673%0.729SS**  cis-167.4159.7-27.3-105.1179.2-157.3145.70112.9
857K38.8Very low35.1Very low200 Ų200141.1 Ų141.187%0.8772%0.723SS**  trans72.8144146.3-72.9160.9177.6169.20123.6
858G35.1Very low35.2Very low72 Ų72142.6 Ų142.674%0.74273%0.73SS**  trans179.2155.3162.900000113.6
859K48.5Very low35.2Very low207 Ų207142 Ų14290%0.973%0.731SS**  trans-158.7153.7-177.4-62.3-174.2178.6-175.90115.8
860K44.5Very low35.5Very low183 Ų183145.7 Ų145.780%0.79675%0.745SS**  trans128.9130.4134-83-174.6158.1-171.20120.8
861I38.4Very low35.6Very low157 Ų157146.2 Ų146.281%0.80575%0.745SS**  trans70.9135.3135.1-61.8170.6000122
862G30.8Very low35.7Very low64 Ų64147.8 Ų147.866%0.6674%0.744SS**  trans175.1150.9161.200000113.6
863F30.1Very low35.6Very low215 Ų215146.8 Ų146.894%0.94374%0.739SS**  trans-151.8160.3-176.9-118-89.2000111.9
864A29.3Very low35.3Very low89 Ų89145 Ų14574%0.73673%0.73SS**  trans70.7155156.100000118.9
865L35.9Very low35.3Very low145 Ų145147.7 Ų147.776%0.75973%0.734SS**  cis175.2146.7-10.316866.4000111
866L35.4Very low35Very low127 Ų127148.7 Ų148.767%0.66574%0.736SS**  trans67.5165162.7-75169.3000118.6
867R31.3Very low34.2Very low188 Ų188149.5 Ų149.571%0.70974%0.742SS**  cis-171163.7-10.4162.1175.2-89.1-174.81.5112.1
868F32.7Very low33.8Very low188 Ų188143.7 Ų143.783%0.82573%0.732SS**  trans3.4154.2164.2-59.6-54.8000121.7
869G30.2Very low33.6Very low62 Ų62150.2 Ų150.264%0.63974%0.74SS**  cis135.9173.67.400000113.2
870K33.7Very low32.5Very low212 Ų212144.9 Ų144.992%0.92273%0.734SS**  trans68.7167.4-177.8-65177.3170.3169.40114.6
871K34Very low31.8Very low172 Ų172140.8 Ų140.875%0.74873%0.734SS**  cis-163151.212.2-152.9-169179.4-168.50112.4
872K33.4Very low31.5Very low129 Ų129139.4 Ų139.456%0.56173%0.733SS**  trans47.3174.1152.6-83.2-165.8115.6-154.80118.6E874K872-E874 WeakPolarHBondContact CE-OE2 3.42Å; K872-E874 IonicContact NZ-OE2 2.67Å; K872-E874 PolarHBondContact NZ-OE2 3.23Å
873E29.3Very low31.5Very low140 Ų140145.3 Ų145.365%0.65474%0.743SS**  cis-143.8144.96.3-135.8126.6177.700107.8
874E31.2Very low31.5Very low119 Ų119145.4 Ų145.456%0.55674%0.738SS**  44137.691.1-95.4-173.8121.600115.4K872K872-E874 WeakPolarHBondContact CE-OE2 3.42Å; K872-E874 IonicContact NZ-OE2 2.67Å; K872-E874 PolarHBondContact NZ-OE2 3.23Å
875K33.8Very low31.6Very low155 Ų155149.6 Ų149.667%0.67474%0.742SS**  cis-172.21786.8-153177.3-163.3144.40110.9
876K31.4Very low31.2Very low160 Ų160152.5 Ų152.570%0.69675%0.748SS**  trans78.5134.4158.4-71-177.8167.1-810117.2
877E30.9Very low30.9Very low155 Ų155150.9 Ų150.972%0.72475%0.747SS**  cis91.5129.841.6-179.2-164.3174.800111.9
878A30.3Very low31.6Very low79 Ų79148.9 Ų148.965%0.65375%0.751SS**  cis-170.6-176.3-14.200000109.7
879K29.7Very low31.6Very low209 Ų209145.4 Ų145.491%0.90975%0.745SS**  trans73.8154.7169.5-56.9175.8-177.4176.90116.2
880A26.1Very low32.1Very low94 Ų94147.1 Ų147.178%0.77774%0.739SS**  cis-162.3153.7-25.700000110.9
881A30.1Very low32.6Very low98 Ų98140.7 Ų140.781%0.8172%0.721SS**  trans10.5127.1163.800000121.5
882V31.9Very low33Very low128 Ų128138.5 Ų138.578%0.77672%0.717SS**  trans-159.5148.8137.3124.30000113
883Q31.3Very low33.6Very low188 Ų188139.3 Ų139.388%0.87973%0.727SS**  trans68.6151.1164.3-91.9166.3-80.800123.8
884R30.4Very low34.9Very low217 Ų217136.9 Ų136.982%0.81972%0.716SS**  trans-101.3167.1-179.6-63.3168.9163.1151-7.5110.2
885Q30.7Very low36.1Very low177 Ų177136.2 Ų136.283%0.82772%0.715SS**  trans55.3114.6151.8-73.5169.7-40.800117.4
886K28.6Very low37.5Very low206 Ų206133.6 Ų133.690%0.89671%0.705SS**  -157.1165.5101.7-110.9174.2-177.6-174.30112.9
887S28.3Very low39.1Very low92 Ų92134.1 Ų134.164%0.64370%0.703SS**  trans-71.9158.8172.453.50000111.8
888D45Very low40.5Very low147 Ų147132.4 Ų132.479%0.78670%0.696SS**  31.9104125.2-158.914.8000117.2
889V33.5Very low42.2Very low115 Ų115135.7 Ų135.770%0.69769%0.692SS**  trans-144.1103.5167.4178.10000107.7
890L41.1Very low43.9Very low98 Ų98131.6 Ų131.651%0.51368%0.676SS.*  trans-63.6147.4158.6-67.8173000108.7
891S44.9Very low45.6Very low77 Ų77130.9 Ų130.954%0.53866%0.656SS.*  trans-57.4144.4-172.465.50000112.4L893 E894 L895S891-L893 PolarHBondContact O-N 2.81Å; S891-E894 WeakPolarHBondContact O-CB 3.22Å; S891-E894 PolarHBondContact O-N 2.79Å; S891-L895 PolarHBondContact O-N 2.79Å
892D40.8Very low46.9Very low125 Ų125135 Ų13567%0.66865%0.651SS**Hα-helixtrans-52.3-31.7-173.3-58.2-58.3000113.4E894 L895 E896D892-E894 VanDerWaalsContact C-N 3.32Å; D892-E894 PolarHBondContact O-N 2.8Å; D892-L895 PolarHBondContact O-N 2.85Å; D892-E896 WeakPolarHBondContact O-CB 3.24Å; D892-E896 PolarHBondContact O-N 3.02Å
893L45.6Very low48Very low146 Ų146134.8 Ų134.876%0.76464%0.642SS**Hα-helixtrans-62.4-33.6176.5-169.669000113.6S891 R897S891-L893 PolarHBondContact O-N 2.81Å; L893-R897 WeakPolarHBondContact O-CB 3.49Å; L893-R897 PolarHBondContact O-N 2.93Å
894E57.9Low49.5Very low90 Ų90131.9 Ų131.942%0.42162%0.623SS.*Hα-helixtrans-80.3-31.3177.3-169.8158.7-138.900111.3S891 D892 R897 M898S891-E894 WeakPolarHBondContact O-CB 3.22Å; S891-E894 PolarHBondContact O-N 2.79Å; D892-E894 VanDerWaalsContact C-N 3.32Å; D892-E894 PolarHBondContact O-N 2.8Å; E894-R897 PolarHBondContact O-N 3.4Å; E894-M898 WeakPolarHBondContact O-CB 3.2Å; E894-M898 WeakPolarHBondContact O-CG 3.47Å; E894-M898 PolarHBondContact O-N 2.92Å
895L56.1Low50.5Low104 Ų104126.4 Ų126.455%0.54561%0.608SS.*Hα-helixtrans-69.1-41.6170.9-114.6168.8000112.1S891 D892 M898 R899S891-L895 PolarHBondContact O-N 2.79Å; D892-L895 PolarHBondContact O-N 2.85Å; L895-M898 PolarHBondContact O-N 2.82Å; L895-R899 PolarHBondContact O-N 3.25Å
896E62.3Low51.2Low100 Ų100123 Ų12347%0.46759%0.592SS.*Hα-helixtrans-66-38.8173.6-150.374.8-106.500110.6D892 R899 E900D892-E896 WeakPolarHBondContact O-CB 3.24Å; D892-E896 PolarHBondContact O-N 3.02Å; E896-R899 WeakPolarHBondContact O-CB 3.33Å; E896-R899 PolarHBondContact O-N 2.88Å; E896-R899 WeakPolarHBondContact OE1-CD 3.34Å; E896-R899 IonicContact OE1-CZ 2.78Å; E896-R899 IonicContact OE1-NE 2.71Å; E896-R899 IonicContact OE1-NH1 2.64Å; E896-R899 PolarHBondContact OE1-NH1 2.73Å; E896-R899 IonicContact OE2-NH1 3.3Å; E896-E900 WeakPolarHBondContact O-CB 3.14Å; E896-E900 PolarHBondContact O-N 3.43Å
897R65.2Low52.2Low171 Ų171117 Ų11765%0.64558%0.582SS**Hα-helixtrans-63.9-40.1172.2-168.6-178.5-174.6-149.40.3112.4L893 E894 R899 E900 E901L893-R897 WeakPolarHBondContact O-CB 3.49Å; L893-R897 PolarHBondContact O-N 2.93Å; E894-R897 PolarHBondContact O-N 3.4Å; R897-R899 VanDerWaalsContact C-N 3.34Å; R897-E900 PolarHBondContact O-N 3.38Å; R897-E901 WeakPolarHBondContact O-CB 3.33Å; R897-E901 PolarHBondContact O-N 2.87Å
898M61.1Low53.3Low119 Ų119117.5 Ų117.559%0.58658%0.58SS**Hα-helixtrans-69.3-29.7173.2-78.9-171.667.700113E894 L895 R902E894-M898 WeakPolarHBondContact O-CB 3.2Å; E894-M898 WeakPolarHBondContact O-CG 3.47Å; E894-M898 PolarHBondContact O-N 2.92Å; L895-M898 PolarHBondContact O-N 2.82Å; M898-R902 WeakPolarHBondContact O-CB 3.36Å; M898-R902 PolarHBondContact O-N 3.15Å; M898-R902 VanDerWaalsContact O-N 3.09Å
899R66.2Low53.4Low149 Ų149117.1 Ų117.156%0.56257%0.574SS**Hα-helixtrans-65.7-52.1168.2173.2-174.8-82156.7-11.6110.2L895 E896 R897 E901 R902 E903L895-R899 PolarHBondContact O-N 3.25Å; E896-R899 WeakPolarHBondContact O-CB 3.33Å; E896-R899 PolarHBondContact O-N 2.88Å; E896-R899 WeakPolarHBondContact OE1-CD 3.34Å; E896-R899 IonicContact OE1-CZ 2.78Å; E896-R899 IonicContact OE1-NE 2.71Å; E896-R899 IonicContact OE1-NH1 2.64Å; E896-R899 PolarHBondContact OE1-NH1 2.73Å; E896-R899 IonicContact OE2-NH1 3.3Å; R897-R899 VanDerWaalsContact C-N 3.34Å; R899-E901 VanDerWaalsContact C-N 3.29Å; R899-E901 PolarHBondContact O-N 3.06Å; R899-R902 CarbonylContact O-C 3.41Å; R899-R902 WeakPolarHBondContact O-CA 3.38Å; R899-R902 WeakPolarHBondContact O-CB 3.42Å; R899-R902 PolarHBondContact O-N 2.69Å; R899-E903 WeakPolarHBondContact O-CB 3.16Å; R899-E903 PolarHBondContact O-N 3.24Å
900E64.3Low53.8Low122 Ų122116.7 Ų116.757%0.5757%0.573SS**Hα-helixtrans-61-37.7-179.4-174.7179.2-14800111.7E896 R897 R904E896-E900 WeakPolarHBondContact O-CB 3.14Å; E896-E900 PolarHBondContact O-N 3.43Å; R897-E900 PolarHBondContact O-N 3.38Å; E900-R904 VanDerWaalsContact O-CB 3.28Å; E900-R904 WeakPolarHBondContact O-CB 3.49Å; E900-R904 PolarHBondContact O-N 2.81Å
901E62.4Low53.8Low79 Ų79120.6 Ų120.637%0.36959%0.589SS.*Hα-helixtrans-63.3-43.1171.9-16070.5-144.100111.6R897 R899 R904 I905R897-E901 WeakPolarHBondContact O-CB 3.33Å; R897-E901 PolarHBondContact O-N 2.87Å; R899-E901 VanDerWaalsContact C-N 3.29Å; R899-E901 PolarHBondContact O-N 3.06Å; E901-R904 IonicContact OE1-CZ 3.24Å; E901-R904 IonicContact OE1-NH1 3.75Å; E901-R904 PolarHBondContact OE1-NH1 3.33Å; E901-R904 IonicContact OE1-NH2 3.4Å; E901-R904 IonicContact OE2-CZ 3.19Å; E901-R904 VanDerWaalsContact OE2-CZ 3.32Å; E901-R904 IonicContact OE2-NH1 2.92Å; E901-R904 PolarHBondContact OE2-NH1 3.05Å; E901-R904 VanDerWaalsContact OE2-NH1 3.07Å; E901-R904 IonicContact OE2-NH2 2.73Å; E901-R904 PolarHBondContact OE2-NH2 3.21Å; E901-I905 WeakPolarHBondContact O-CD1 3.03Å; E901-I905 VanDerWaalsContact O-CG1 3.28Å; E901-I905 WeakPolarHBondContact O-CG1 3.18Å; E901-I905 PolarHBondContact O-N 2.82Å
902R57.7Low53.4Low186 Ų186125 Ų12570%0.70261%0.605SS**Hα-helixtrans-67.2-44.2174.6-88.6-174.2164.8-132.1-1.8112.9M898 R899 R904 I905 E906M898-R902 WeakPolarHBondContact O-CB 3.36Å; M898-R902 PolarHBondContact O-N 3.15Å; M898-R902 VanDerWaalsContact O-N 3.09Å; R899-R902 CarbonylContact O-C 3.41Å; R899-R902 WeakPolarHBondContact O-CA 3.38Å; R899-R902 WeakPolarHBondContact O-CB 3.42Å; R899-R902 PolarHBondContact O-N 2.69Å; R902-R904 VanDerWaalsContact C-N 3.27Å; R902-R904 PolarHBondContact O-N 3.47Å; R902-I905 CarbonylContact O-C 3.46Å; R902-I905 WeakPolarHBondContact O-CA 3.28Å; R902-I905 WeakPolarHBondContact O-CB 3.4Å; R902-I905 PolarHBondContact O-N 3.1Å; R902-E906 WeakPolarHBondContact O-CB 3.48Å; R902-E906 PolarHBondContact O-N 2.8Å
903E54.9Low53.2Low123 Ų123126.4 Ų126.458%0.57561%0.608SS**Hα-helixtrans-64-35.7-179.8-172168.8-179.200110.6R899 I905 E906 A907R899-E903 WeakPolarHBondContact O-CB 3.16Å; R899-E903 PolarHBondContact O-N 3.24Å; E903-I905 VanDerWaalsContact C-N 3.32Å; E903-I905 PolarHBondContact O-N 2.84Å; E903-E906 PolarHBondContact O-N 2.92Å; E903-A907 WeakPolarHBondContact O-CB 3.28Å; E903-A907 PolarHBondContact O-N 3.31Å
904R63.2Low52.7Low127 Ų127127.4 Ų127.448%0.47961%0.609SS.*Hα-helixtrans-66-29.9170.7-156.1-167.6-43.5128.513.9113.4E900 E901 R902 V908E900-R904 VanDerWaalsContact O-CB 3.28Å; E900-R904 WeakPolarHBondContact O-CB 3.49Å; E900-R904 PolarHBondContact O-N 2.81Å; E901-R904 IonicContact OE1-CZ 3.24Å; E901-R904 IonicContact OE1-NH1 3.75Å; E901-R904 PolarHBondContact OE1-NH1 3.33Å; E901-R904 IonicContact OE1-NH2 3.4Å; E901-R904 IonicContact OE2-CZ 3.19Å; E901-R904 VanDerWaalsContact OE2-CZ 3.32Å; E901-R904 IonicContact OE2-NH1 2.92Å; E901-R904 PolarHBondContact OE2-NH1 3.05Å; E901-R904 VanDerWaalsContact OE2-NH1 3.07Å; E901-R904 IonicContact OE2-NH2 2.73Å; E901-R904 PolarHBondContact OE2-NH2 3.21Å; R902-R904 VanDerWaalsContact C-N 3.27Å; R902-R904 PolarHBondContact O-N 3.47Å; R904-V908 WeakPolarHBondContact O-CG2 3.15Å
905I51.8Low51.3Low101 Ų101131.7 Ų131.752%0.51863%0.626SS.*Hα-helixtrans-81.5-39.7175.9-67163.2000110.8E901 R902 E903 V908 H909E901-I905 WeakPolarHBondContact O-CD1 3.03Å; E901-I905 VanDerWaalsContact O-CG1 3.28Å; E901-I905 WeakPolarHBondContact O-CG1 3.18Å; E901-I905 PolarHBondContact O-N 2.82Å; R902-I905 CarbonylContact O-C 3.46Å; R902-I905 WeakPolarHBondContact O-CA 3.28Å; R902-I905 WeakPolarHBondContact O-CB 3.4Å; R902-I905 PolarHBondContact O-N 3.1Å; E903-I905 VanDerWaalsContact C-N 3.32Å; E903-I905 PolarHBondContact O-N 2.84Å; I905-V908 PolarHBondContact O-N 2.98Å; I905-V908 VanDerWaalsContact O-N 3.14Å; I905-H909 PolarHBondContact O-N 3.49Å
906E44.6Very low50.3Low106 Ų106134.7 Ų134.750%0.49564%0.641SS.*Hα-helixtrans-68.4-39.2178.7-165.1160.4-167.600111R902 E903 V908 H909 Q913R902-E906 WeakPolarHBondContact O-CB 3.48Å; R902-E906 PolarHBondContact O-N 2.8Å; E903-E906 PolarHBondContact O-N 2.92Å; E906-V908 PolarHBondContact O-N 2.97Å; E906-H909 CarbonylContact O-C 3.53Å; E906-H909 PolarHBondContact O-N 2.98Å; E906-Q913 PolarHBondContact OE1-NE2 3.02Å
907A48.3Very low49.3Very low81 Ų81135.1 Ų135.167%0.66965%0.653SS**THydrogen-bonded Turntrans-67.2-12.8170.800000114.5E903E903-A907 WeakPolarHBondContact O-CB 3.28Å; E903-A907 PolarHBondContact O-N 3.31Å
908V51.8Low47.5Very low102 Ų102137.1 Ų137.162%0.61866%0.661SS**THydrogen-bonded Turntrans-95.6-14.4175.3168.10000112.1R904 I905 E906R904-V908 WeakPolarHBondContact O-CG2 3.15Å; I905-V908 PolarHBondContact O-N 2.98Å; I905-V908 VanDerWaalsContact O-N 3.14Å; E906-V908 PolarHBondContact O-N 2.97Å
909H48.3Very low45.9Very low139 Ų139136.2 Ų136.264%0.64466%0.658SS**  trans-132.670.2178.9-77.3-80.1000113.2I905 E906 E911I905-H909 PolarHBondContact O-N 3.49Å; E906-H909 CarbonylContact O-C 3.53Å; E906-H909 PolarHBondContact O-N 2.98Å; H909-E911 VanDerWaalsContact C-N 3.3Å; H909-E911 PolarHBondContact O-N 2.86Å
910P41.6Very low44.2Very low105 Ų105136.5 Ų136.568%0.68267%0.666SS**THydrogen-bonded Turntrans-74.8-4.3-172.630.4-36.8000116.2
911E39.8Very low42.5Very low180 Ų180139.4 Ų139.484%0.84168%0.679SS**THydrogen-bonded Turntrans-97.81.9-166-61-166.6164.100116.1H909H909-E911 VanDerWaalsContact C-N 3.3Å; H909-E911 PolarHBondContact O-N 2.86Å
912L37.5Very low40.8Very low170 Ų170139.3 Ų139.389%0.8970%0.7SS**SBendtrans-115.436.3-177.7-70.1178.7000114.3
913Q37.5Very low39.3Very low154 Ų154134.4 Ų134.472%0.7271%0.707SS**  trans-13456.6179.8-156.5172.689.500114.5E906E906-Q913 PolarHBondContact OE1-NE2 3.02Å
914E33.7Very low38Very low167 Ų167132.6 Ų132.678%0.7872%0.721SS**  trans-138.6150.5155.2-143-166.9-15200111.9
915K29.4Very low36.2Very low180 Ų180130.7 Ų130.778%0.78374%0.741SS**  trans76.557.5172.4-56.7174.3-172.4164.20118.1
916L33.8Very low35Very low167 Ų167129.4 Ų129.487%0.87475%0.753SS**  -76.4160124.9-81.6161.3000108.8
917P42.7Very low34.2Very low109 Ų109129.4 Ų129.471%0.70877%0.771SS**  cis-137.9-170.918.836.1-14.5000115.8
918R27Very low33.3Very low214 Ų214130.5 Ų130.581%0.80878%0.78SS**  115.5134125.4-133.8-172.1164.7133.23.9119.4
919D26.9Very low32.4Very low100 Ų100134.3 Ų134.354%0.53578%0.784SS.*  trans57.2113.2148.9-76.3-33.6000122.8
920Q30.2Very low32Very low155 Ų155133 Ų13372%0.72479%0.788SS**  65.2158.2123.2-65.6175.96900121.9
921Q28.7Very low31.6Very low183 Ų183130.5 Ų130.586%0.85577%0.767SS**  trans63.4160.4178.3-115.363.58.700115.9
922G27.1Very low31.4Very low77 Ų77128.6 Ų128.679%0.79476%0.756SS**  trans-151.1172.5-179.400000112.6
923G26.5Very low31.2Very low82 Ų82122.9 Ų122.985%0.84573%0.725SS**  trans119.3147.5175.200000113.9
924G26.6Very low31.9Very low85 Ų85118.5 Ų118.588%0.87671%0.707SS**  trans87.7117.9174.200000114.1
925G26.6Very low32.1Very low87 Ų87116.2 Ų116.290%0.89770%0.7SS**  trans-100-173.4169.900000112.1
926G26.4Very low32.5Very low75 Ų75111.5 Ų111.577%0.77368%0.683SS**  trans141.492.9165.200000116.8
927A28.2Very low32.6Very low106 Ų106108.2 Ų108.288%0.87668%0.68SS**  trans62.5170.3136.600000122.4
928A29.7Very low32.8Very low103 Ų103109.7 Ų109.785%0.85168%0.682SS**  trans81.412716700000118.9
929Y32.1Very low33.8Very low182 Ų182105.2 Ų105.271%0.71468%0.681SS**  trans-127.4150.1-172.9-130.3-78.6000113.3
930P39.3Very low34.5Very low111 Ų111107 Ų10772%0.72169%0.69SS**  trans-105.1154.116836.7-32.3000115
931H34.6Very low34.9Very low54 Ų54108.1 Ų108.125%0.2569%0.689CS.*  -159.871.8-86.9-162.1-125.9000113.9P720 R1049P720-H931 HydrophobicContact CB-CB 4.34Å; P720-H931 WeakPolarHBondContact CB-ND1 3.17Å; P720-H931 WeakPolarHBondContact CG-ND1 3.23Å; H931-R1049 VanDerWaalsContact C-NE 3.26Å; H931-R1049 HydrophobicContact CB-CG 4.14Å; H931-R1049 VanDerWaalsContact CD2-CD 3.45Å; H931-R1049 WeakPolarHBondContact CD2-CD 3.34Å; H931-R1049 WeakPolarHBondContact CD2-CG 3.48Å; H931-R1049 PolarHBondContact CE1-NE 3.09Å; H931-R1049 PolarHBondContact ND1-NE 3.04Å; H931-R1049 WeakPolarHBondContact NE2-CD 3.42Å; H931-R1049 VanDerWaalsContact O-CZ 3.32Å; H931-R1049 PolarHBondContact O-NE 2.78Å; H931-R1049 PolarHBondContact O-NH2 2.86Å
932F34.5Very low35.2Very low139 Ų139104.2 Ų104.261%0.6169%0.688SS**  trans-144.1155.7168.3-132.9-162.9000109.6A719A719-F932 HydrophobicContact CB-CD1 4.09Å; A719-F932 HydrophobicContact CB-CD2 3.24Å; A719-F932 HydrophobicContact CB-CE1 4.1Å; A719-F932 HydrophobicContact CB-CE2 3.29Å; A719-F932 HydrophobicContact CB-CG 3.71Å; A719-F932 HydrophobicContact CB-CZ 3.74Å
933E34.1Very low35.3Very low50 Ų50109 Ų10923%0.23468%0.682CS.*  cis69.312130.4-42.8176.7140.100115.2Q1045 R1049E933-Q1045 HydrophobicContact CG-CB 4.11Å; E933-R1049 IonicContact OE1-CZ 3.59Å; E933-R1049 IonicContact OE1-NH1 3.77Å; E933-R1049 PolarHBondContact OE1-NH1 2.92Å; E933-R1049 IonicContact OE1-NH2 2.71Å; E933-R1049 IonicContact OE2-CZ 3.27Å; E933-R1049 IonicContact OE2-NH1 2.73Å; E933-R1049 PolarHBondContact OE2-NH1 3.23Å; E933-R1049 IonicContact OE2-NH2 2.77Å; E933-R1049 PolarHBondContact OE2-NH2 3.21Å
934D52.7Low35.5Very low63 Ų63112.3 Ų112.334%0.33768%0.679SS.*  cis96.3128.4-2.8-146.73.2000118.3Q1045 R1048D934-Q1045 HydrophobicContact CB-CB 4.36Å; D934-Q1045 HydrophobicContact CB-CG 3.95Å; D934-Q1045 VanDerWaalsContact O-CD 3.27Å; D934-Q1045 PolarHBondContact O-NE2 2.82Å; D934-Q1045 VanDerWaalsContact O-NE2 3.12Å; D934-Q1045 PolarHBondContact O-OE1 2.63Å; D934-R1048 IonicContact OD1-NH1 3.65Å; D934-R1048 WeakPolarHBondContact OD2-CD 3.42Å; D934-R1048 IonicContact OD2-CZ 3.33Å; D934-R1048 IonicContact OD2-NE 2.7Å; D934-R1048 IonicContact OD2-NH1 3.75Å; D934-R1048 PolarHBondContact OD2-NH1 2.96Å
935D36.7Very low35.7Very low118 Ų118116.1 Ų116.163%0.63167%0.674SS**  trans-161.9132.6162.7-158.722.4000114.7R1041D935-R1041 VanDerWaalsContact OD1-CD 3.23Å; D935-R1041 WeakPolarHBondContact OD1-CD 3.46Å; D935-R1041 IonicContact OD1-CZ 3.15Å; D935-R1041 IonicContact OD1-NE 2.72Å; D935-R1041 IonicContact OD1-NH1 2.88Å; D935-R1041 PolarHBondContact OD1-NH1 3.4Å; D935-R1041 IonicContact OD2-NH1 3.6Å; D935-R1041 PolarHBondContact OD2-NH1 2.84Å
936D38Very low35.7Very low82 Ų82116.1 Ų116.144%0.43966%0.657SS.*  trans-93.4158.5-170.8-71.9-71.3000114.8R1041D936-R1041 PolarHBondContact O-NH1 2.96Å; D936-R1041 PolarHBondContact O-NH2 3.38Å
937A35.8Very low35.9Very low97 Ų97121.1 Ų121.180%0.80266%0.657SS**  trans-16385.9153.700000114.9
938D46.9Very low36Very low141 Ų141126.5 Ų126.575%0.75466%0.655SS**  trans-142.4142.3151.9-166.468000110.6
939P47.4Very low35.9Very low120 Ų120127.9 Ų127.978%0.77965%0.648SS**  trans-10412.8-15839.8-35.6000115.5
940N42.9Very low35.9Very low137 Ų137129.6 Ų129.673%0.73365%0.653SS**  trans-110.232.9-152-1441.6000117.7
941Y38.4Very low35.4Very low178 Ų178130.1 Ų130.170%0.69865%0.646SS**  trans-142.393.1164.3-141.5-94.3000114.9R943Y941-R943 HydrophobicContact CD1-CB 4.29Å; Y941-R943 HydrophobicContact CE1-CB 4.04Å; Y941-R943 PolarHBondContact OH-NH2 3.36Å
942A33.6Very low35.1Very low101 Ų101135.9 Ų135.984%0.83568%0.675SS**  trans-89.5113163.100000110.2
943R30.1Very low34.8Very low179 Ų179132.8 Ų132.868%0.67568%0.682SS**  trans-115.3104.5161.2-173.7165.1-69.2-1663.8111.3Y941Y941-R943 HydrophobicContact CD1-CB 4.29Å; Y941-R943 HydrophobicContact CE1-CB 4.04Å; Y941-R943 PolarHBondContact OH-NH2 3.36Å
944I31.8Very low34.5Very low151 Ų151136.6 Ų136.677%0.77472%0.715SS**  trans-57.3132.2165.8-58.8154.9000109.6
945Q29.9Very low33.3Very low164 Ų164136.9 Ų136.977%0.76673%0.733SS**  trans-176.8145.3146.6-101161.7200109.9
946T27.1Very low33.2Very low88 Ų88137.2 Ų137.254%0.5474%0.741SS.*  cis-172.5145.7-26.316.80000107.9
947F29.4Very low34Very low180 Ų180138.7 Ų138.779%0.78976%0.755SS**  trans63.9157.5168.4-49.6-58.7000115.1
948R30.6Very low34.1Very low219 Ų219140 Ų14083%0.82676%0.755SS**  cis-145.2155.23.1-148.3170.6-159.51658.5112.1
949D29Very low33.5Very low132 Ų132140.9 Ų140.971%0.70676%0.759SS**  trans-34141168.3-32.7-59.1000116
950R30.4Very low33.3Very low217 Ų217140.6 Ų140.682%0.81976%0.757SS**  -164.8104.3106.8-153.7143-156.6175.98.7112.2
951E29.3Very low32.7Very low123 Ų123142.7 Ų142.758%0.57576%0.763SS**  64.4144.597.5-60.1-172.512300117.6
952M29Very low32.5Very low174 Ų174139.4 Ų139.486%0.85777%0.766SS**  trans60123.6163.7-86.855.7172.700118.3
953G28.3Very low33.1Very low74 Ų74139.5 Ų139.576%0.76376%0.758SS**  cis121.2120.9-8.900000115.1
954S26.6Very low33Very low131 Ų131137.9 Ų137.992%0.91676%0.762SS**  trans176.8154.5161.751.80000107.3
955G27.2Very low32.9Very low69 Ų69141.1 Ų141.171%0.71177%0.766SS**  cis-167.5-177.82.700000111.6
956P36.5Very low32.7Very low125 Ų125138.2 Ų138.281%0.81276%0.764SS**  trans-121.7-158.5-158.539.9-23.9000113
957P54.4Low33.1Very low113 Ų113138.8 Ų138.873%0.73477%0.772SS**  -116.9-144.7-60.734.4-14.8000109.6
958P36.7Very low33.3Very low123 Ų123136.2 Ų136.280%0.79977%0.77SS**  -134.8177.952.128.3-3.8000116.6
959L35.9Very low33.3Very low160 Ų160133.4 Ų133.484%0.83877%0.766SS**  trans-98-174.6173.2-69.7165.1000110.2
960P43.5Very low33.3Very low114 Ų114136 Ų13674%0.7477%0.774SS**  cis-118.3-147.21.322.55000111.9
961Q28.4Very low33.2Very low182 Ų182129.3 Ų129.385%0.8577%0.765SS**  cis-149.9-177.119-69-178.7-8.600112.8
962S34.2Very low33.2Very low108 Ų108132.4 Ų132.476%0.75578%0.779SS**  trans-160.8178.3179.569.10000110.5
963P47.6Very low33.2Very low103 Ų103128.7 Ų128.767%0.66978%0.776SS**  cis-137.4-170.3-22.825.9-0.5000115.2
964L27.8Very low33.1Very low146 Ų146136.9 Ų136.976%0.76478%0.784SS**  trans97.9112.5150.9-50.9-178.2000123.2
965Y28.5Very low33.1Very low219 Ų219136.4 Ų136.486%0.85978%0.78SS**  trans75.3119.8133.4-88.1-101.8000125.7
966S25.6Very low33.1Very low102 Ų102138 Ų13871%0.71379%0.787SS**  trans92.3142.5136-160.30000122.5
967S36.6Very low32.7Very low101 Ų101137.6 Ų137.671%0.70679%0.787SS**  trans65.379.6149.937.50000122.1
968V33Very low32.2Very low125 Ų125138.5 Ų138.576%0.75879%0.793SS**  56.2124.8126.8-176.30000121.9
969Q30.7Very low31.9Very low160 Ų160142 Ų14275%0.74880%0.799SS**  trans69.6111.5157.4-77.21711.600121.5
970H29.9Very low31.5Very low187 Ų187137.7 Ų137.787%0.86679%0.793SS**  179-164.9107-97.5-70.6000111.3
971A28.7Very low32Very low76 Ų76138.4 Ų138.463%0.62880%0.798SS**  trans-138.7162.3-155.600000118
972H29Very low32.5Very low189 Ų189134.7 Ų134.788%0.87579%0.79SS**  trans82.6143.5161.4-58.8-68.7000122.3
973A28.4Very low31.9Very low96 Ų96134.9 Ų134.979%0.79379%0.791SS**  trans86.898150.100000123.7
974R26Very low31.4Very low245 Ų245139.8 Ų139.893%0.92580%0.802SS**  trans30.9128.5137.1-63-177.1174.4-175.2-1.7123.3
975S26.7Very low32Very low121 Ų121138.7 Ų138.785%0.84680%0.804SS**  118.9143.8125.275.50000122
976A27.7Very low31.8Very low104 Ų104132 Ų13286%0.8680%0.801SS**  trans74.1151.3159.400000122.4
977S27.5Very low31.9Very low116 Ų116137.1 Ų137.181%0.81181%0.813SS**  trans-111.6169.7-176.2-46.90000113.3
978P44.1Very low31.5Very low132 Ų132136 Ų13686%0.85782%0.818SS**  -147-152.810439.5-21.3000115.4
979Q29.4Very low31.1Very low196 Ų196139.4 Ų139.492%0.91682%0.823SS**  trans-107.5175.9-158.5-63.1167.4-44.500115.7
980G29.3Very low31.1Very low70 Ų70139.3 Ų139.372%0.72282%0.822SS**  trans-81.1-149.5174.600000114.7
981P52.3Low30.9Very low129 Ų129135.6 Ų135.684%0.83881%0.812SS**  cis-121.3-139.910.833.2-8.5000111.7
982P38.8Very low30.9Very low104 Ų104138.8 Ų138.868%0.67582%0.819SS**  -144.6162.756.441.4-22.2000117.9
983S22.2Very low30.8Very low112 Ų112137 Ų13778%0.78382%0.816SS**  trans-96.3142.4144-63.40000108.3P985S983-P985 VanDerWaalsContact O-CD 3.27Å; S983-P985 WeakPolarHBondContact O-CD 3.44Å
984F37Very low30.9Very low206 Ų206136.6 Ų136.690%0.90481%0.812SS**  trans-82.5129.5172.1-88.7-80.4000112
985P40.8Very low31Very low122 Ų122128.1 Ų128.179%0.79280%0.801SS**  trans-132.3149.4143.338-27.9000112S983S983-P985 VanDerWaalsContact O-CD 3.27Å; S983-P985 WeakPolarHBondContact O-CD 3.44Å
986G24.8Very low31.2Very low78 Ų78128.5 Ų128.580%0.80480%0.798SS**  trans163.4106.9172.100000114.3
987H28Very low31.3Very low210 Ų210130.8 Ų130.897%0.97280%0.795SS**  trans-65.7149.3176.9-73.8-68.6000114
988G26.5Very low32.5Very low79 Ų79130.1 Ų130.181%0.81479%0.788SS**  trans-160.7117.3157.100000111.1
989K26.3Very low31.8Very low195 Ų195131 Ų13185%0.84879%0.786SS**  trans-87.2148.7169.7-62.4-178.7178.3-176.60109
990H29.3Very low31.7Very low159 Ų159129.2 Ų129.274%0.73678%0.782SS**  172.1152.195.1-132-93.5000114.4
991V26.1Very low32Very low108 Ų108132.7 Ų132.766%0.65578%0.784SS**  trans56.9137.4160.9-87.20000124.7
992N28Very low31.7Very low144 Ų144130.7 Ų130.777%0.7777%0.771SS**  trans72.4121151.4-58.7-3.1000118.4
993D27.9Very low31.3Very low152 Ų152132.6 Ų132.681%0.81377%0.774SS**  cis101.4126.540-17957.1000110.9
994A29.4Very low31.8Very low86 Ų86131.8 Ų131.871%0.71176%0.761SS**  cis-91.7-149.14.100000113
995G29.1Very low31.5Very low68 Ų68129.9 Ų129.970%0.70175%0.748SS**  cis119.5150.71400000110.6
996V29.8Very low31.4Very low129 Ų129131.6 Ų131.678%0.78275%0.75SS**  cis-141.5116.13.6176.80000105.2
997L29.8Very low31.7Very low151 Ų151136.2 Ų136.279%0.79174%0.744SS**  57.714887.5-67.9167.9000114.6
998P53.7Low32.1Very low103 Ų103129.5 Ų129.567%0.66973%0.725SS**  cis-84-149.8-3.841.6-40000110.6
999D28.7Very low32.5Very low151 Ų151135 Ų13581%0.80773%0.727SS**  cis-152168.46.5-122-35.6000109.8
1000D28.5Very low32.4Very low157 Ų157131 Ų13184%0.8472%0.718SS**  trans-151.2-160.8-167.9-147.2-34.4000113.8
1001D35.3Very low32.3Very low143 Ų143130.5 Ų130.577%0.76572%0.721SS**  trans88.2157.5168.3-11228.7000118.2
1002P46Very low32.6Very low87 Ų87134.3 Ų134.357%0.56573%0.729SS**  -147.4-161.3-122.335.6-7.9000116.2
1003I29.5Very low33.4Very low144 Ų144133.1 Ų133.174%0.73873%0.729SS**  trans66.7137.5133.3-89.6168.3000123.2
1004D32.8Very low33.6Very low96 Ų96137.4 Ų137.451%0.51373%0.734SS.*  trans69.3122.2149.4-82.2-9.2000126.2
1005R31Very low33.6Very low166 Ų166136.8 Ų136.863%0.62674%0.736SS**  55.5125121.5-58.4166.3-166.4158.4-4120.6Y1007R1005-Y1007 HydrophobicContact CB-CD2 4.21Å; R1005-Y1007 HydrophobicContact CB-CE2 4.25Å; R1005-Y1007 HydrophobicContact CG-CE2 4.32Å
1006L38.6Very low33.6Very low158 Ų158139.4 Ų139.483%0.82774%0.743SS**  -147.1111.897.2-118.562.2000107
1007Y32Very low33.5Very low174 Ų174137.1 Ų137.168%0.68275%0.747SS**  63.9132.291.7-79-58.1000114.6R1005R1005-Y1007 HydrophobicContact CB-CD2 4.21Å; R1005-Y1007 HydrophobicContact CB-CE2 4.25Å; R1005-Y1007 HydrophobicContact CG-CE2 4.32Å
1008A36.2Very low33.5Very low70 Ų70134.2 Ų134.258%0.57974%0.744SS**  cis-168.3158.2-0.100000114.2
1009K34.1Very low32.2Very low193 Ų193135.4 Ų135.484%0.83975%0.75SS**  trans66.8156137.8-74.9172.8178176.70117.8
1010V25.7Very low32.1Very low112 Ų112133.3 Ų133.368%0.67975%0.747SS**  cis-157.1150.94.197.80000115.1
1011N27Very low32.9Very low149 Ų149130.5 Ų130.580%0.79774%0.737SS**  trans72.8144.5151.8-67.5-16.7000127.4
1012K31.3Very low32.5Very low187 Ų187131.9 Ų131.981%0.81374%0.739SS**  trans-78.8-177.5166.5-72.2166.1-179.1168.90111
1013P45.4Very low31.8Very low120 Ų120133.7 Ų133.778%0.77975%0.749SS**  cis-125.4-179.611.942.6-25.6000114.2
1014R30.9Very low32.2Very low241 Ų241132.2 Ų132.291%0.90975%0.748SS**  cis91103.814.4-146.8-166.6-148.1-151.98.6117.2
1015G29.5Very low31.9Very low73 Ų73133.1 Ų133.175%0.75376%0.762SS**  trans148.1149.716200000113.6
1016S29.8Very low32Very low123 Ų123130.6 Ų130.686%0.8677%0.767SS**  cis-173.7140.5-12.447.90000112.8
1017G28.6Very low31.9Very low82 Ų82127.6 Ų127.685%0.84577%0.765SS**  trans89.9151.6159.500000116.8
1018A28.1Very low32.1Very low90 Ų90124.5 Ų124.574%0.74477%0.766SS**  cis-155.6155.3-6.400000112.9
1019T27.8Very low32.2Very low128 Ų128126.2 Ų126.279%0.78577%0.772SS**  trans28118.7151.953.90000119.5
1020S27.1Very low33.1Very low107 Ų107122.8 Ų122.875%0.74877%0.772SS**  63.4149.550-146.60000113.1
1021P44.2Very low33.7Very low98 Ų98123.9 Ų123.964%0.63677%0.774SS**  cis-140.6173.211.543.9-26.4000117.9
1022H27.6Very low35.1Very low171 Ų171119.9 Ų119.979%0.79276%0.757SS**  trans48.1153139.8-68.1-43.3000122.1
1023T29.8Very low35.8Very low126 Ų126117.3 Ų117.377%0.77375%0.753SS**  cis-156.4-17313.2-4.60000110.2
1024P38.3Very low36.3Very low113 Ų113117.8 Ų117.873%0.73475%0.746SS**  trans-131.3-175-130.744.4-25.1000117.9
1025S26.3Very low37.2Very low114 Ų114110.1 Ų110.180%0.79772%0.723SS**  trans77.5156.7157.2-147.90000116.6
1026P33.3Very low38.4Very low114 Ų114115.6 Ų115.674%0.7472%0.721SS**  cis-112.8170.9-7.839.9-28.8000113.8
1027A37.8Very low40.2Very low95 Ų95114 Ų11479%0.78570%0.702SS**  trans-94.3133.4167.500000111.2
1028P35.8Very low41.9Very low109 Ų109114.7 Ų114.771%0.70868%0.683SS**  trans-74.7169.9163.632.5-33000111.3
1029P37.5Very low43.8Very low106 Ų106115.5 Ų115.569%0.68868%0.675SS**  trans-84.4-171.3-165.335.7-37.7000114.5D1031P1029-D1031 PolarHBondContact O-N 3.31Å; P1029-D1031 VanDerWaalsContact O-N 3.1Å
1030S52.3Low45.8Very low121 Ų121114 Ų11485%0.84666%0.661SS**  trans-67.297.5-18054.60000113.3
1031D39Very low47.6Very low135 Ų135112.6 Ų112.672%0.72264%0.639SS**  trans-80.2164.6171.3-75.8-38.1000113.4P1029P1029-D1031 PolarHBondContact O-N 3.31Å; P1029-D1031 VanDerWaalsContact O-N 3.1Å
1032S55.8Low48.8Very low64 Ų64113 Ų11345%0.44863%0.629SS.*  trans-79.2155.7-164.696.10000113.4M1034 D1035S1032-M1034 PolarHBondContact O-N 3.18Å; S1032-M1034 VanDerWaalsContact O-N 3.12Å; S1032-M1034 PolarHBondContact OG-N 3.14Å; S1032-D1035 WeakPolarHBondContact CB-OD2 3.48Å; S1032-D1035 PolarHBondContact O-N 3.46Å; S1032-D1035 PolarHBondContact OG-OD2 3.23Å
1033N46.7Very low50.6Low133 Ų133110.9 Ų110.971%0.71162%0.619SS**Hα-helixtrans-67.2-11.2177.3-151.421.2000112.9I1037N1033-I1037 VanDerWaalsContact O-CD1 3.31Å; N1033-I1037 WeakPolarHBondContact O-CD1 3.47Å; N1033-I1037 WeakPolarHBondContact O-CG1 3.28Å
1034M55.7Low52.2Low130 Ų130111.7 Ų111.764%0.6461%0.609SS**Hα-helixtrans-76.9-32.9175.6-77.9-162.564.400113.3S1032 I1037 Q1038S1032-M1034 PolarHBondContact O-N 3.18Å; S1032-M1034 VanDerWaalsContact O-N 3.12Å; S1032-M1034 PolarHBondContact OG-N 3.14Å; M1034-I1037 PolarHBondContact O-N 2.82Å; M1034-Q1038 WeakPolarHBondContact O-CG 3.38Å; M1034-Q1038 PolarHBondContact O-N 2.66Å; M1034-Q1038 PolarHBondContact O-NE2 2.94Å; M1034-Q1038 VanDerWaalsContact O-NE2 3.08Å
1035D49.8Very low53.3Low81 Ų81106.9 Ų106.943%0.43358%0.576SS.*Hα-helixtrans-76-32.4-169.3-55.1-62.3000111.4S1032 Q1038 L1039S1032-D1035 WeakPolarHBondContact CB-OD2 3.48Å; S1032-D1035 PolarHBondContact O-N 3.46Å; S1032-D1035 PolarHBondContact OG-OD2 3.23Å; D1035-Q1038 PolarHBondContact O-N 2.94Å; D1035-Q1038 PolarHBondContact OD1-NE2 2.88Å; D1035-Q1038 VanDerWaalsContact OD1-NE2 3.14Å; D1035-L1039 PolarHBondContact O-N 3.31Å; D1035-L1039 VanDerWaalsContact O-N 3.1Å
1036R55.9Low55.1Low187 Ų187104.6 Ų104.671%0.70655%0.553SS**Hα-helixtrans-68.6-31.6170.7-167.5173.1-175.4169.92.4113.2L1040R1036-L1040 PolarHBondContact O-N 3.12Å; R1036-L1040 VanDerWaalsContact O-N 3.13Å
1037I67.1Low56.4Low91 Ų91101.2 Ų101.247%0.46754%0.535SS..Hα-helixtrans-72.6-41.6176.8-66171.2000110.3N1033 M1034 L1039 L1040 R1041N1033-I1037 VanDerWaalsContact O-CD1 3.31Å; N1033-I1037 WeakPolarHBondContact O-CD1 3.47Å; N1033-I1037 WeakPolarHBondContact O-CG1 3.28Å; M1034-I1037 PolarHBondContact O-N 2.82Å; I1037-L1039 VanDerWaalsContact C-N 3.29Å; I1037-L1039 PolarHBondContact O-N 3.13Å; I1037-L1040 PolarHBondContact O-N 3.12Å; I1037-R1041 PolarHBondContact O-N 2.78Å
1038Q64.8Low57.4Low95 Ų95104 Ų10444%0.44453%0.525SS..Hα-helixtrans-61.2-36.2173-71.5166.584.700112.4M1034 D1035 R1042M1034-Q1038 WeakPolarHBondContact O-CG 3.38Å; M1034-Q1038 PolarHBondContact O-N 2.66Å; M1034-Q1038 PolarHBondContact O-NE2 2.94Å; M1034-Q1038 VanDerWaalsContact O-NE2 3.08Å; D1035-Q1038 PolarHBondContact O-N 2.94Å; D1035-Q1038 PolarHBondContact OD1-NE2 2.88Å; D1035-Q1038 VanDerWaalsContact OD1-NE2 3.14Å; Q1038-R1042 PolarHBondContact O-N 3.03Å
1039L66.9Low58.1Low108 Ų10899.1 Ų99.157%0.56549%0.492SS*.Hα-helixtrans-67.9-42.9175.4-164.370.4000112.1D1035 I1037 R1041 R1042 E1043D1035-L1039 PolarHBondContact O-N 3.31Å; D1035-L1039 VanDerWaalsContact O-N 3.1Å; I1037-L1039 VanDerWaalsContact C-N 3.29Å; I1037-L1039 PolarHBondContact O-N 3.13Å; L1039-R1041 PolarHBondContact O-N 3.25Å; L1039-R1042 WeakPolarHBondContact O-CB 3.46Å; L1039-R1042 PolarHBondContact O-N 3.06Å; L1039-E1043 PolarHBondContact O-N 3.07Å; L1039-E1043 VanDerWaalsContact O-N 3.1Å
1040L70.3Confident59.2Low96 Ų9698.4 Ų98.450%0.50348%0.48SS..Hα-helixtrans-67.8-31.8178.5-84.7162.3000113.6R1036 I1037 E1043 Y1044R1036-L1040 PolarHBondContact O-N 3.12Å; R1036-L1040 VanDerWaalsContact O-N 3.13Å; I1037-L1040 PolarHBondContact O-N 3.12Å; L1040-E1043 PolarHBondContact O-N 3.22Å; L1040-Y1044 WeakPolarHBondContact O-CB 3.45Å; L1040-Y1044 PolarHBondContact O-N 2.96Å
1041R64Low59.2Low77 Ų7795 Ų9529%0.29146%0.463SS..Hα-helixtrans-61.5-50.2169.3-75-170.4178.2-171.6-6111.3D935 D936 I1037 L1039 E1043 Y1044 Q1045D935-R1041 VanDerWaalsContact OD1-CD 3.23Å; D935-R1041 WeakPolarHBondContact OD1-CD 3.46Å; D935-R1041 IonicContact OD1-CZ 3.15Å; D935-R1041 IonicContact OD1-NE 2.72Å; D935-R1041 IonicContact OD1-NH1 2.88Å; D935-R1041 PolarHBondContact OD1-NH1 3.4Å; D935-R1041 IonicContact OD2-NH1 3.6Å; D935-R1041 PolarHBondContact OD2-NH1 2.84Å; D936-R1041 PolarHBondContact O-NH1 2.96Å; D936-R1041 PolarHBondContact O-NH2 3.38Å; I1037-R1041 PolarHBondContact O-N 2.78Å; L1039-R1041 PolarHBondContact O-N 3.25Å; R1041-E1043 PolarHBondContact O-N 2.71Å; R1041-E1043 VanDerWaalsContact O-N 3.13Å; R1041-Y1044 PolarHBondContact O-N 3.41Å; R1041-Q1045 VanDerWaalsContact O-CB 3.28Å; R1041-Q1045 WeakPolarHBondContact O-CB 3.45Å; R1041-Q1045 VanDerWaalsContact O-CD 3.31Å; R1041-Q1045 WeakPolarHBondContact O-CG 3.37Å; R1041-Q1045 PolarHBondContact O-N 2.89Å; R1041-Q1045 PolarHBondContact O-OE1 2.82Å
1042R69.5Low59.7Low108 Ų10895.7 Ų95.741%0.40846%0.464SS..Hα-helixtrans-58.2-26.1177.4-160.3-176.6-56.3-1764.4113.1M722 Q1038 L1039 Q1046M722-R1042 PolarHBondContact SD-NH1 2.71Å; M722-R1042 VanDerWaalsContact SD-NH1 3.39Å; Q1038-R1042 PolarHBondContact O-N 3.03Å; L1039-R1042 WeakPolarHBondContact O-CB 3.46Å; L1039-R1042 PolarHBondContact O-N 3.06Å; R1042-Q1046 WeakPolarHBondContact O-CB 3.25Å; R1042-Q1046 PolarHBondContact O-N 3.25Å
1043E65.9Low59.3Low125 Ų12597.8 Ų97.858%0.58447%0.474SS*.Hα-helixtrans-86.2-43.9176.1-170.1173.5-158.300112.9L1039 L1040 R1041 Q1046 A1047L1039-E1043 PolarHBondContact O-N 3.07Å; L1039-E1043 VanDerWaalsContact O-N 3.1Å; L1040-E1043 PolarHBondContact O-N 3.22Å; R1041-E1043 PolarHBondContact O-N 2.71Å; R1041-E1043 VanDerWaalsContact O-N 3.13Å; E1043-Q1046 PolarHBondContact O-N 2.89Å; E1043-A1047 PolarHBondContact O-N 3.37Å
1044Y62.6Low59Low143 Ų14397 Ų9756%0.56148%0.476SS*.Hα-helixtrans-64-46.1176.1171.2-107.1000112.2L1040 R1041 Q1046 A1047 R1048L1040-Y1044 WeakPolarHBondContact O-CB 3.45Å; L1040-Y1044 PolarHBondContact O-N 2.96Å; R1041-Y1044 PolarHBondContact O-N 3.41Å; Y1044-Q1046 VanDerWaalsContact C-N 3.28Å; Y1044-Q1046 PolarHBondContact O-N 3.21Å; Y1044-A1047 WeakPolarHBondContact O-CB 3.23Å; Y1044-A1047 PolarHBondContact O-N 2.85Å; Y1044-A1047 VanDerWaalsContact O-N 3.13Å; Y1044-R1048 PolarHBondContact O-N 3.31Å
1045Q63.1Low58Low12 Ų1297 Ų976%0.05649%0.485CS..Hα-helixtrans-65.8-36.2178.2-62.4161.4-17.500109.7E933 D934 R1041 A1047 R1048 R1049E933-Q1045 HydrophobicContact CG-CB 4.11Å; D934-Q1045 HydrophobicContact CB-CB 4.36Å; D934-Q1045 HydrophobicContact CB-CG 3.95Å; D934-Q1045 VanDerWaalsContact O-CD 3.27Å; D934-Q1045 PolarHBondContact O-NE2 2.82Å; D934-Q1045 VanDerWaalsContact O-NE2 3.12Å; D934-Q1045 PolarHBondContact O-OE1 2.63Å; R1041-Q1045 VanDerWaalsContact O-CB 3.28Å; R1041-Q1045 WeakPolarHBondContact O-CB 3.45Å; R1041-Q1045 VanDerWaalsContact O-CD 3.31Å; R1041-Q1045 WeakPolarHBondContact O-CG 3.37Å; R1041-Q1045 PolarHBondContact O-N 2.89Å; R1041-Q1045 PolarHBondContact O-OE1 2.82Å; Q1045-A1047 PolarHBondContact O-N 3.26Å; Q1045-R1048 WeakPolarHBondContact O-CB 2.97Å; Q1045-R1048 PolarHBondContact O-N 3.46Å; Q1045-R1048 VanDerWaalsContact O-N 3.15Å; Q1045-R1049 WeakPolarHBondContact O-CB 3.34Å; Q1045-R1049 PolarHBondContact O-N 3.49Å
1046Q63.9Low57.3Low67 Ų67103.9 Ų103.931%0.31351%0.507SS..Hα-helixtrans-61.2-37.2170.8178.9169.9-8.700113.1R1042 E1043 Y1044 R1048 R1049 E1050R1042-Q1046 WeakPolarHBondContact O-CB 3.25Å; R1042-Q1046 PolarHBondContact O-N 3.25Å; E1043-Q1046 PolarHBondContact O-N 2.89Å; Y1044-Q1046 VanDerWaalsContact C-N 3.28Å; Y1044-Q1046 PolarHBondContact O-N 3.21Å; Q1046-R1048 VanDerWaalsContact C-N 3.33Å; Q1046-R1048 PolarHBondContact O-N 3Å; Q1046-R1049 VanDerWaalsContact O-CB 3.25Å; Q1046-R1049 WeakPolarHBondContact O-CB 3.44Å; Q1046-R1049 PolarHBondContact O-N 2.74Å; Q1046-E1050 HydrophobicContact CG-CG 4.37Å; Q1046-E1050 VanDerWaalsContact CG-OE1 3.29Å; Q1046-E1050 WeakPolarHBondContact CG-OE1 3.45Å; Q1046-E1050 PolarHBondContact NE2-OE1 3.04Å; Q1046-E1050 WeakPolarHBondContact O-CB 3.46Å; Q1046-E1050 WeakPolarHBondContact O-CG 3.45Å; Q1046-E1050 PolarHBondContact O-N 3.27Å
1047A59.3Low56.3Low42 Ų42102.5 Ų102.535%0.34751%0.509SS..Hα-helixtrans-66-34.4173.200000112.9E1043 Y1044 Q1045E1043-A1047 PolarHBondContact O-N 3.37Å; Y1044-A1047 WeakPolarHBondContact O-CB 3.23Å; Y1044-A1047 PolarHBondContact O-N 2.85Å; Y1044-A1047 VanDerWaalsContact O-N 3.13Å; Q1045-A1047 PolarHBondContact O-N 3.26Å
1048R60.1Low54.5Low154 Ų154107.5 Ų107.558%0.58153%0.53SS*.Hα-helixtrans-67.7-39.7173.4-152.6178-168.7-178.23.3111.4D934 Y1044 Q1045 Q1046 G1051D934-R1048 IonicContact OD1-NH1 3.65Å; D934-R1048 WeakPolarHBondContact OD2-CD 3.42Å; D934-R1048 IonicContact OD2-CZ 3.33Å; D934-R1048 IonicContact OD2-NE 2.7Å; D934-R1048 IonicContact OD2-NH1 3.75Å; D934-R1048 PolarHBondContact OD2-NH1 2.96Å; Y1044-R1048 PolarHBondContact O-N 3.31Å; Q1045-R1048 WeakPolarHBondContact O-CB 2.97Å; Q1045-R1048 PolarHBondContact O-N 3.46Å; Q1045-R1048 VanDerWaalsContact O-N 3.15Å; Q1046-R1048 VanDerWaalsContact C-N 3.33Å; Q1046-R1048 PolarHBondContact O-N 3Å; R1048-G1051 PolarHBondContact O-N 3.41Å
1049R50Low52.9Low7 Ų7110.3 Ų110.33%0.02655%0.547CS..Hα-helixtrans-66.4-31.1177.3-162.7-163.6-163.4142.421.7114P720 C721 H931 E933 Q1045 Q1046P720-R1049 VanDerWaalsContact CB-NH2 3.28Å; C721-R1049 PolarHBondContact SG-NH1 2.68Å; C721-R1049 VanDerWaalsContact SG-NH1 3.39Å; H931-R1049 VanDerWaalsContact C-NE 3.26Å; H931-R1049 HydrophobicContact CB-CG 4.14Å; H931-R1049 VanDerWaalsContact CD2-CD 3.45Å; H931-R1049 WeakPolarHBondContact CD2-CD 3.34Å; H931-R1049 WeakPolarHBondContact CD2-CG 3.48Å; H931-R1049 PolarHBondContact CE1-NE 3.09Å; H931-R1049 PolarHBondContact ND1-NE 3.04Å; H931-R1049 WeakPolarHBondContact NE2-CD 3.42Å; H931-R1049 VanDerWaalsContact O-CZ 3.32Å; H931-R1049 PolarHBondContact O-NE 2.78Å; H931-R1049 PolarHBondContact O-NH2 2.86Å; E933-R1049 IonicContact OE1-CZ 3.59Å; E933-R1049 IonicContact OE1-NH1 3.77Å; E933-R1049 PolarHBondContact OE1-NH1 2.92Å; E933-R1049 IonicContact OE1-NH2 2.71Å; E933-R1049 IonicContact OE2-CZ 3.27Å; E933-R1049 IonicContact OE2-NH1 2.73Å; E933-R1049 PolarHBondContact OE2-NH1 3.23Å; E933-R1049 IonicContact OE2-NH2 2.77Å; E933-R1049 PolarHBondContact OE2-NH2 3.21Å; Q1045-R1049 WeakPolarHBondContact O-CB 3.34Å; Q1045-R1049 PolarHBondContact O-N 3.49Å; Q1046-R1049 VanDerWaalsContact O-CB 3.25Å; Q1046-R1049 WeakPolarHBondContact O-CB 3.44Å; Q1046-R1049 PolarHBondContact O-N 2.74Å
1050E61.7Low50.9Low91 Ų91112.4 Ų112.443%0.42556%0.559SS.*THydrogen-bonded Turntrans-89.73.6179.2-73.9177.2-164.300113.6Q1046Q1046-E1050 HydrophobicContact CG-CG 4.37Å; Q1046-E1050 VanDerWaalsContact CG-OE1 3.29Å; Q1046-E1050 WeakPolarHBondContact CG-OE1 3.45Å; Q1046-E1050 PolarHBondContact NE2-OE1 3.04Å; Q1046-E1050 WeakPolarHBondContact O-CB 3.46Å; Q1046-E1050 WeakPolarHBondContact O-CG 3.45Å; Q1046-E1050 PolarHBondContact O-N 3.27Å
1051G50.8Low48.9Very low48 Ų48114.8 Ų114.850%0.49557%0.571SS.*THydrogen-bonded Turntrans77.918.6169.400000115.8R1048 V1053R1048-G1051 PolarHBondContact O-N 3.41Å; G1051-V1053 VanDerWaalsContact C-N 3.32Å; G1051-V1053 PolarHBondContact O-N 3.03Å
1052M49.5Very low47.2Very low150 Ų150121 Ų12174%0.73960%0.595SS**  trans-85.79.9-172.4-68.2-68.4169.900115.2
1053V47Very low45.2Very low109 Ų109124.9 Ų124.966%0.66161%0.61SS**SBendtrans-137.6126.4-179.4-173.60000110.9G1051G1051-V1053 VanDerWaalsContact C-N 3.32Å; G1051-V1053 PolarHBondContact O-N 3.03Å
1054P42.3Very low43.4Very low116 Ų116129 Ų12975%0.75362%0.62SS**  trans-72.1153.8176.5-18.432.3000114
1055P33.8Very low41.6Very low129 Ų129125.6 Ų125.684%0.83863%0.628SS**  trans-83.6154.3175.334.8-35.2000113
1056Y34.7Very low40Very low226 Ų226133.3 Ų133.389%0.88666%0.664SS**  trans-144.4147.2158.4-172.7-107.5000109.2
1057E35Very low38.2Very low159 Ų159137.2 Ų137.274%0.74369%0.687SS**  trans-81.1143.2-174.1-70.9169.5103.600112.7
1058E29.5Very low37.1Very low195 Ų195141 Ų14191%0.91171%0.708SS**  trans-94.4104.5165.3179.7177.8-157.800108.8
1059L30.5Very low35.8Very low155 Ų155139.1 Ų139.181%0.81271%0.709SS**  trans-157.198.7167.5-119.3174.2000110.5
1060D26.3Very low35.1Very low152 Ų152142.9 Ų142.981%0.81373%0.734SS**  trans-133.6110.3169.4-161.3-13.7000110.6
1061L28.3Very low33.8Very low145 Ų145147.5 Ų147.576%0.75976%0.756SS**  trans-157.157.9-179.1-138.2152000112.5
1062R27.7Very low32.7Very low209 Ų209156.1 Ų156.179%0.78977%0.773SS**  trans171.1139.6134.9-97.4161.7176.2178.60.3117.1
1063R27Very low32Very low188 Ų188156 Ų15671%0.70977%0.774SS**  trans74.2116.6139.7-77.7-156.3-175.3-66.98.2121.1
1064R27.6Very low31.7Very low213 Ų213156.6 Ų156.680%0.80478%0.78SS**  64.1126.8112.6-162.8-164.4-151.5-152.98.8118.6
1065G26.6Very low31Very low71 Ų71154.9 Ų154.973%0.73278%0.784SS**  trans145.2117.8148.400000113.6
1066H29.2Very low30.9Very low173 Ų173160.3 Ų160.380%0.80179%0.788SS**  trans-135.7109.4162.3-157.7-43.6000107.5
1067D26.2Very low30.6Very low150 Ų150152.6 Ų152.680%0.80278%0.776SS**PPolyproline II helixtrans-81.2147.7170.2-85.2-58.4000110.5
1068P36.3Very low30.5Very low120 Ų120151.7 Ų151.778%0.77978%0.782SS**PPolyproline II helixtrans-100.1147.4167.235.8-30000112.8
1069D32.8Very low30.5Very low116 Ų116147 Ų14762%0.6276%0.763SS**PPolyproline II helixtrans-86.8144.6-170.6-16961.3000113.8R215R215-D1069 IonicContact CZ-OD1 2.71Å; R215-D1069 IonicContact NH1-OD1 2.69Å; R215-D1069 PolarHBondContact NH1-OD1 3.04Å; R215-D1069 VanDerWaalsContact NH1-OD1 3.09Å; R215-D1069 IonicContact NH2-OD1 3.74Å; R215-D1069 PolarHBondContact NH2-OD1 3.21Å; R215-D1069 IonicContact NH2-OD2 3.6Å
1070P35.3Very low31.3Very low85 Ų85144.1 Ų144.155%0.55275%0.754SS**PPolyproline II helixtrans-97.5136.6-178.636.1-34.1000115.6
1071H33.1Very low31.5Very low189 Ų189145.6 Ų145.688%0.87575%0.748SS**  trans86.7153.7151.6-59-48.2000124.4
1072R29Very low31.5Very low228 Ų228145.9 Ų145.986%0.8675%0.75SS**  trans-161.4165.8-167.9-132.5167.3168.1-169.9-3.6105.4
1073I34.9Very low31.6Very low149 Ų149141.8 Ų141.876%0.76475%0.748SS**  cis-121-76.623.4-57.8165.8000115.2
1074P39Very low32.6Very low120 Ų120137.7 Ų137.778%0.77975%0.746SS**  trans-141.1162.3-163.142.2-21.8000119.2
1075G27.7Very low32.7Very low81 Ų81137.5 Ų137.584%0.83575%0.745SS**  trans-102.1158.2162.900000113.9
1076R32.1Very low32.8Very low243 Ų243143 Ų14392%0.91775%0.745SS**  trans-140.7143.6179.6-167.3-172.3-163.1-86.29.4110.7
1077G29.6Very low32.9Very low63 Ų63143.9 Ų143.965%0.64975%0.75SS**  trans-92.3170.5179.700000116.3
1078T33Very low33.2Very low140 Ų140145 Ų14586%0.85975%0.75SS**  trans-127.7-164-170.458.10000111
1079D29.4Very low32.9Very low97 Ų97146.3 Ų146.352%0.51976%0.755SS.*  cis-150.5-48.16.8136.292.5000115R1081D1079-R1081 VanDerWaalsContact CG-NH1 3.3Å; D1079-R1081 IonicContact OD1-CZ 2.89Å; D1079-R1081 IonicContact OD1-NH1 2.88Å; D1079-R1081 PolarHBondContact OD1-NH1 3Å; D1079-R1081 VanDerWaalsContact OD1-NH1 3.09Å; D1079-R1081 IonicContact OD1-NH2 3.74Å; D1079-R1081 PolarHBondContact OD1-NH2 3.42Å; D1079-R1081 IonicContact OD2-CZ 3.11Å; D1079-R1081 IonicContact OD2-NH1 3.06Å; D1079-R1081 PolarHBondContact OD2-NH1 3.33Å; D1079-R1081 IonicContact OD2-NH2 2.73Å
1080P46.9Very low33Very low95 Ų95146.4 Ų146.462%0.61775%0.752SS**  trans-90.3125.6-146.728.8-34.2000118
1081R29Very low32.9Very low183 Ų183151.4 Ų151.469%0.69176%0.76SS**  54.2140.7113.7-62.4178.8-165.974.218.9119.2D1079D1079-R1081 VanDerWaalsContact CG-NH1 3.3Å; D1079-R1081 IonicContact OD1-CZ 2.89Å; D1079-R1081 IonicContact OD1-NH1 2.88Å; D1079-R1081 PolarHBondContact OD1-NH1 3Å; D1079-R1081 VanDerWaalsContact OD1-NH1 3.09Å; D1079-R1081 IonicContact OD1-NH2 3.74Å; D1079-R1081 PolarHBondContact OD1-NH2 3.42Å; D1079-R1081 IonicContact OD2-CZ 3.11Å; D1079-R1081 IonicContact OD2-NH1 3.06Å; D1079-R1081 PolarHBondContact OD2-NH1 3.33Å; D1079-R1081 IonicContact OD2-NH2 2.73Å
1082L29.7Very low32.6Very low151 Ų151150.5 Ų150.579%0.79176%0.756SS**  cis-154.4174.59.5-120.7163.7000111.8
1083T29.1Very low32.4Very low122 Ų122149.8 Ų149.875%0.74876%0.755SS**  trans-132.1-170.7-167.10.20000109.6
1084P48.1Very low32.2Very low103 Ų103146.8 Ų146.867%0.66975%0.753SS**  cis-143.7-177.3-1.444.5-25.8000118.6
1085R29.8Very low31.6Very low208 Ų208147 Ų14779%0.78576%0.757SS**  trans71.2150.3153-60.3-148.8173.1-176-3.1119.1
1086Y29.6Very low32Very low186 Ų186150.6 Ų150.673%0.72976%0.756SS**  cis-155.6147.8-10.4-135.9-136.9000109
1087E31Very low31.9Very low193 Ų193145 Ų14590%0.90275%0.752SS**  173.9-176.1116.9-122.3173.2-167.300111.3
1088E31.2Very low32Very low174 Ų174153.9 Ų153.981%0.81377%0.765SS**  trans-122.8157.6-157.2179.4173.8-14700112.9
1089V31.5Very low31.9Very low146 Ų146158.8 Ų158.889%0.88577%0.768SS**  trans178.4156.4143.3143.40000111.7
1090E34.8Very low32Very low119 Ų119156.2 Ų156.256%0.55677%0.765SS**  trans-99.7155.2-161-96.7-163.2115.200117.9
1091R33.5Very low31.7Very low190 Ų190157.1 Ų157.172%0.71777%0.771SS**  trans55.8132.6150.5-59.1166.5-170.91247.4120.2
1092Q25.9Very low31.7Very low170 Ų170153.5 Ų153.579%0.79476%0.763SS**  174.3141.896.8-88.8-167.7-3.400114.8
1093Y25.5Very low31.6Very low212 Ų212149.1 Ų149.183%0.83174%0.74SS**  trans33.6119.1156.1-73.4-84.9000125.2
1094A28.9Very low31.9Very low87 Ų87147.2 Ų147.272%0.71973%0.73SS**  28.3136.4129.100000123.4
1095S27.2Very low31Very low124 Ų124145.8 Ų145.887%0.86773%0.727SS**  168.3175.6114.653.60000113.9
1096L35.5Very low31.1Very low157 Ų157143.7 Ų143.782%0.82273%0.731SS**  trans-84.9154.3-176.6-69.9167.1000113.1
1097P30.2Very low31Very low126 Ų126145.5 Ų145.582%0.81874%0.738SS**  trans-72.2130.8174.430.1-34.4000112.3
1098R31.4Very low32Very low249 Ų249141.2 Ų141.294%0.9473%0.727SS**  trans-123.3154.3163-91.7-166.4172-150.60.2111.5
1099R32.4Very low31.8Very low242 Ų242141.5 Ų141.591%0.91373%0.731SS**  trans-62.1146172.2-76.2-178.8171.4-177.1-3.6111.8
1100G30.3Very low31.6Very low44 Ų44142 Ų14245%0.45472%0.723SS.*  trans-74.8146.5141.800000109.2
1101P40.6Very low31.3Very low114 Ų114141.2 Ų141.274%0.7473%0.731SS**  -111.6134.370.1-8.628.6000115.3E337E337-P1101 HydrophobicContact CB-CB 4.37Å; E337-P1101 HydrophobicContact CG-CB 3.77Å; E337-P1101 WeakPolarHBondContact OE2-CA 3.19Å
1102M28.9Very low31.1Very low107 Ų107142.6 Ų142.653%0.52774%0.736SS.*  trans-62.4171.2160.8-114.3134.156.900111.5K336 E337K336-M1102 CarbonylContact O-C 3.39Å; E337-M1102 HydrophobicContact CB-CB 4.26Å; E337-M1102 HydrophobicContact CG-CB 4.38Å; E337-M1102 PolarHBondContact OE2-N 2.91Å
1103D29.1Very low31.4Very low58 Ų58139.2 Ų139.231%0.3173%0.731SS.*  cis-163.9173.611.8-14815.4000107.2S334 P335 K336S334-D1103 WeakPolarHBondContact CB-OD2 3.38Å; P335-D1103 HydrophobicContact CB-CB 3.64Å; P335-D1103 WeakPolarHBondContact CB-O 3.28Å; K336-D1103 IonicContact NZ-OD2 3.51Å; K336-D1103 PolarHBondContact NZ-OD2 3.27Å
1104P35.6Very low31.5Very low83 Ų83132.2 Ų132.254%0.53972%0.723SS.*  trans-96.2137.1-165.635.9-34.6000117.5
1105A28.8Very low31.6Very low72 Ų72136.2 Ų136.260%0.59573%0.727SS**  trans-140.4160.2141.300000108.1P335P335-A1105 HydrophobicContact CG-CB 4.31Å
1106D30.5Very low31.4Very low164 Ų164140.7 Ų140.788%0.87773%0.726SS**  trans62.879.8172.1-55.7-20.3000118.9
1107Y27.8Very low32Very low225 Ų225138.7 Ų138.788%0.88272%0.722SS**  trans-61.8174.9142.2-112.8-128.1000110.7
1108P51.8Low31.8Very low103 Ų103136.2 Ų136.267%0.66972%0.72SS**  cis-140.5173.4-43.641.2-25.1000114.1
1109M27.5Very low32.5Very low180 Ų180130.6 Ų130.689%0.88772%0.716SS**  trans162.7129.2146-99.3-178.6155.500108.4
1110Q28.5Very low33.3Very low157 Ų157124.6 Ų124.673%0.73471%0.708SS**  cis59.8122.845.8-64-165.4-6.100113.2
1111S26.6Very low33.3Very low102 Ų102131.6 Ų131.671%0.71373%0.729SS**  -161.7137.758.234.70000116.1
1112W30.1Very low32.7Very low219 Ų219130 Ų13083%0.8373%0.726SS**  trans49.5154.6131.8-60.499000121.8
1113S31.7Very low32.6Very low99 Ų99133.8 Ų133.869%0.69274%0.742SS**  cis-171.1152.74.733.70000114.7
1114G28.9Very low32.7Very low64 Ų64136.9 Ų136.966%0.6677%0.768SS**  trans98150.5138.800000120.2
1115H29.2Very low32.3Very low171 Ų171136.4 Ų136.479%0.79278%0.778SS**  cis-159.9143.4-10.5-89.6-79.7000112.7
1116Y25Very low32.1Very low219 Ų219143.9 Ų143.986%0.85979%0.793SS**  trans7.1175.7142-86.1-85.1000124
1117P48.1Very low32.3Very low114 Ų114141.2 Ų141.274%0.7478%0.784SS**  cis-144.2165.3-7.535.4-14.2000120.5
1118G26Very low32.2Very low74 Ų74138.6 Ų138.676%0.76378%0.78SS**  trans70.2178.2139.600000121.1
1119P46.2Very low31.3Very low132 Ų132139 Ų13986%0.85779%0.785SS**  cis-129.3-170.8-4.742.1-23.7000115.4
1120P47.4Very low31.9Very low115 Ų115135.4 Ų135.475%0.74778%0.776SS**  trans-129.6-173-166.644.9-31.9000118.8
1121Q30.2Very low31.6Very low192 Ų192133.7 Ų133.790%0.89778%0.776SS**  trans76.8153.7164.1-81-176.7-11.200118.8
1122A28.3Very low31.5Very low81 Ų81139.1 Ų139.167%0.66978%0.782SS**  cis-159.1162.4-5.100000114.6
1123Q27.5Very low31.2Very low185 Ų185133.2 Ų133.286%0.86478%0.775SS**  trans34.5145.3149.6-67-174.8-9.900125.7
1124S31.4Very low31Very low124 Ų124131.7 Ų131.787%0.86776%0.759SS**  trans94.2148.2142.180.70000121.2
1125G26.9Very low30.9Very low73 Ų73135.6 Ų135.675%0.75376%0.763SS**  trans102.2109.2149.600000119.6
1126Y24Very low30.8Very low229 Ų229129.3 Ų129.390%0.89874%0.735SS**  trans-61.6152.9133.9-94.1-95.2000108
1127P36.1Very low30.9Very low108 Ų108121.7 Ų121.770%0.70171%0.714SS**  -150.9170.751.542.4-22.3000119.2
1128Q25.1Very low29.9Very low170 Ų170122.4 Ų122.479%0.79471%0.707SS**  trans39.2123.4142.3-66.5-175.91500122
1129S33.5Very low30Very low110 Ų110124.3 Ų124.377%0.76971%0.709SS**  trans-51146.7141.553.10000112.5
1130P38.3Very low29Very low106 Ų106121.6 Ų121.669%0.68871%0.705SS**  -149.6147.7114.337.1-21.1000117.1
1131T22.9Very low28.6Very low121 Ų121121.5 Ų121.574%0.74271%0.705SS**  54.9101.3127.1-51.10000121.5
1132Y25.1Very low28.5Very low215 Ų215116.8 Ų116.884%0.84369%0.692SS**  59.3141.5126.8-83.8-89.6000123.8
1133S24.1Very low28.5Very low96 Ų96121.8 Ų121.867%0.67170%0.7SS**  trans86.9113.5137.4-70.80000122.3
1134N25.8Very low28.5Very low66 Ų66117.6 Ų117.635%0.35369%0.69SS.*  81.7159.8123.2-145.999.9000118.9E642 V644E642-N1134 PolarHBondContact OE2-ND2 3.03Å; E642-N1134 PolarHBondContact OE2-OD1 3.04Å; V644-N1134 WeakPolarHBondContact CG2-OD1 3.36Å
1135I27.7Very low28.4Very low147 Ų147117.4 Ų117.475%0.75468%0.68SS**  trans83.396.4-179.3-51.7166.8000110.2E642E642-I1135 PolarHBondContact OE1-N 3.22Å; E642-I1135 WeakPolarHBondContact OE2-CA 3.34Å; E642-I1135 PolarHBondContact OE2-N 2.83Å
1136N26.6Very low28.4Very low38 Ų38122 Ų12220%0.20368%0.679CS.*  cis74136.749.3-148.958000115.3E640 E641 E642E640-N1136 PolarHBondContact OE2-ND2 3.05Å; E641-N1136 WeakPolarHBondContact CB-OD1 3.16Å; E641-N1136 WeakPolarHBondContact CG-OD1 3.08Å; E641-N1136 WeakPolarHBondContact OE1-CA 3.5Å; E641-N1136 PolarHBondContact OE2-OD1 3.17Å; E642-N1136 WeakPolarHBondContact CA-OD1 3.08Å; E642-N1136 HydrophobicContact CB-CB 3.92Å; E642-N1136 VanDerWaalsContact CB-OD1 3.27Å; E642-N1136 WeakPolarHBondContact CB-OD1 3.33Å; E642-N1136 HydrophobicContact CG-CB 3.91Å; E642-N1136 WeakPolarHBondContact CG-OD1 3.47Å; E642-N1136 PolarHBondContact N-OD1 3.32Å
1137S27.1Very low28.5Very low59 Ų59118 Ų11841%0.41367%0.673SS.*  trans70.9114.6160.866.30000120.1E640 E641E640-S1137 WeakPolarHBondContact OE1-CB 3.2Å; E641-S1137 VanDerWaalsContact OE2-CA 3.3Å; E641-S1137 WeakPolarHBondContact OE2-CA 3.43Å; E641-S1137 PolarHBondContact OE2-N 3.09Å
1138Q27.8Very low29.2Very low129 Ų129118.7 Ų118.760%0.60368%0.677SS**  trans67.4131.1138-58.9169.527.700120.5E640E640-Q1138 PolarHBondContact OE1-NE2 3.19Å
1139S27.1Very low29.2Very low115 Ų115114.2 Ų114.280%0.80468%0.677SS**  154.5107.795.854.40000116.6
1140G25.1Very low28.9Very low75 Ų75117.2 Ų117.277%0.77368%0.679SS**  trans60.1-164.3146.600000119.5
1141P39.3Very low29.3Very low113 Ų113117.1 Ų117.173%0.73468%0.678SS**  cis-108.6134.1-6.737.3-26.5000113.2
1142S29.2Very low29.8Very low92 Ų92120.2 Ų120.264%0.64368%0.677SS**  78.3131.589.6-49.20000116.8
1143F28.2Very low29.9Very low187 Ų187118.6 Ų118.682%0.8268%0.678SS**  175.1134.495.8-94.3-64.8000116
1144S27.9Very low30.2Very low96 Ų96121 Ų12167%0.67168%0.678SS**  trans75.5138.4133.5-177.80000122.2
1145N28.2Very low31.3Very low121 Ų121122.4 Ų122.465%0.64769%0.691SS**  cis-170.6144-20.2-97.9-27.7000112.7
1146F28.2Very low31.4Very low169 Ų169126.4 Ų126.474%0.74170%0.696SS**  trans64.2116.7139.5-76.5-123000123.9
1147L24.4Very low31.4Very low145 Ų145131.5 Ų131.576%0.75972%0.724SS**  48.5165.7105.4-74.4159.4000122
1148P50.7Low32.3Very low123 Ų123132.7 Ų132.780%0.79973%0.73SS**  cis-134.5177.2-16.237.6-19.6000115.9
1149G26.8Very low32.3Very low76 Ų76137.8 Ų137.878%0.78474%0.744SS**  trans167.4137.8160.600000117.9
1150Q26.2Very low32.3Very low173 Ų173135.6 Ų135.681%0.80874%0.739SS**  trans-122.8-165.8172.7-71.9-158-13.100109.6
1151P47.1Very low32.4Very low103 Ų103139.8 Ų139.867%0.66974%0.742SS**  cis-147171.81.537.2-13.3000121.3
1152Y32.3Very low31.8Very low187 Ų187142.8 Ų142.873%0.73375%0.746SS**  trans46.7130.3146-72-56.4000125.3Q1154Y1152-Q1154 HydrophobicContact CD1-CG 4.43Å
1153Q28Very low31.9Very low181 Ų181142.9 Ų142.985%0.84675%0.745SS**  -158.6137.692.6-91.9-168.822.900108.4
1154Q30.9Very low31.8Very low146 Ų146136.8 Ų136.868%0.68273%0.734SS**  cis104.2153.341.2-90.1-153.3-100112.3Y1152Y1152-Q1154 HydrophobicContact CD1-CG 4.43Å
1155P49.4Very low31.9Very low95 Ų95142.9 Ų142.962%0.61774%0.744SS**  cis-144179.8-30.440.2-22.8000115.7
1156R28.8Very low32.1Very low232 Ų232145.6 Ų145.688%0.87575%0.747SS**  trans80.7117.7164.8-62.7-175.6177.1-174.5-1.3116.9
1157D28Very low32.4Very low145 Ų145143 Ų14378%0.77575%0.747SS**  cis73.5140.428.8-150.549.7000112
1158P43.9Very low33.1Very low83 Ų83139.1 Ų139.154%0.53972%0.724SS.*  cis-148.3164.82846-26.5000121
1159R28.6Very low32.6Very low237 Ų237138 Ų13889%0.89472%0.717SS**  trans68.1146161.8-26.8178.2-150-164.44.2116.4
1160G26.9Very low32.7Very low68 Ų68137.5 Ų137.570%0.70170%0.702SS**  cis151.2173-5.400000112.3
1161I28.1Very low33.1Very low164 Ų164135 Ų13584%0.84170%0.699SS**  trans83.2114168.5-56.5174.4000117.4
1162E25.9Very low32.7Very low176 Ų176137.4 Ų137.482%0.82270%0.701SS**  trans-76.2132148.9-111.5-106.1-174.700108.4
1163P31.6Very low32.8Very low94 Ų94137.1 Ų137.161%0.6171%0.706SS**  -135.8-176.983.439-23.3000111.3
1164G26.6Very low33.5Very low59 Ų59140.7 Ų140.761%0.60871%0.712SS**  cis89.7152.430.800000111.7
1165Y30.4Very low33.7Very low224 Ų224136.7 Ų136.788%0.87871%0.71SS**  trans88.9120.3-175.5-70.4-87.3000119.7
1166Y31.1Very low34Very low177 Ų177138 Ų13869%0.69472%0.719SS**  trans-55.7163.4153.6-92.8-80.8000112.7H1168Y1166-H1168 AromaticContact CD1-CE1 3.87Å; Y1166-H1168 AromaticContact CD1-NE2 3.78Å; Y1166-H1168 AromaticContact CE1-CD2 3.98Å; Y1166-H1168 AromaticContact CE1-CE1 3.29Å; Y1166-H1168 WeakPolarHBondContact CE1-CE1 3.29Å; Y1166-H1168 AromaticContact CE1-NE2 3.2Å; Y1166-H1168 WeakPolarHBondContact CE1-NE2 3.46Å; Y1166-H1168 AromaticContact CZ-NE2 3.69Å
1167P34.5Very low34.3Very low114 Ų114134.3 Ų134.374%0.7472%0.716SS**  -135.9137.7106.136.2-27000114.8
1168H40.6Very low34.8Very low64 Ų64136.7 Ų136.730%0.29671%0.714SS.*  trans-83.8153.9152.3-65.8-52.4000110.3N654 S655 Y1166N654-H1168 PolarHBondContact O-CE1 2.77Å; N654-H1168 PolarHBondContact O-ND1 3.39Å; N654-H1168 PolarHBondContact O-NE2 2.88Å; S655-H1168 PolarHBondContact N-CE1 2.82Å; S655-H1168 PolarHBondContact O-CE1 2.63Å; S655-H1168 PolarHBondContact O-ND1 3.45Å; S655-H1168 PolarHBondContact OG-ND1 3.17Å; S655-H1168 VanDerWaalsContact OG-ND1 3.17Å; Y1166-H1168 AromaticContact CD1-CE1 3.87Å; Y1166-H1168 AromaticContact CD1-NE2 3.78Å; Y1166-H1168 AromaticContact CE1-CD2 3.98Å; Y1166-H1168 AromaticContact CE1-CE1 3.29Å; Y1166-H1168 WeakPolarHBondContact CE1-CE1 3.29Å; Y1166-H1168 AromaticContact CE1-NE2 3.2Å; Y1166-H1168 WeakPolarHBondContact CE1-NE2 3.46Å; Y1166-H1168 AromaticContact CZ-NE2 3.69Å
1169P39.8Very low34.4Very low100 Ų100140.5 Ų140.565%0.64972%0.724SS**  -126.7115.8125.531.5-21.7000109.7
1170S28.8Very low34.7Very low66 Ų66134 Ų13446%0.46271%0.707SS.*  cis48.399.235.6151.70000110.4
1171T33.5Very low35Very low120 Ų120137.2 Ų137.274%0.73671%0.713SS**  -144.6137.884.836.50000112
1172Q40.2Very low36.1Very low153 Ų153134.7 Ų134.772%0.71571%0.707SS**  68.3147.966.9-61.9-178.917.300113.3
1173Q33.9Very low37.2Very low181 Ų181131.5 Ų131.585%0.84670%0.702SS**  cis-130.4167.323-83.6-171.9-14.600116.4
1174R42.7Very low37.5Very low256 Ų256132 Ų13297%0.96671%0.708SS**  trans-132.7154.5172.1-176.7-165.1-168.1-162.68.3108.2
1175G34.3Very low37.9Very low63 Ų63135.1 Ų135.165%0.64972%0.717SS**  trans126.5179.7160.500000114.6
1176P55.5Low38Very low123 Ų123130.7 Ų130.780%0.79971%0.713SS**  cis-106.9-161-9.136.5-20.5000110.8
1177L36.1Very low39.5Very low154 Ų154127.6 Ų127.681%0.80672%0.715SS**  cis-156.7176.517.9-16558.2000112.5
1178R37Very low39.9Very low195 Ų195127.7 Ų127.774%0.73672%0.716SS**  trans-55.4175.3-179.1-60.2165.6145.7-99.5-0.8115.8D1180R1178-D1180 IonicContact NH1-OD1 3.44Å
1179Q37.2Very low39.5Very low162 Ų162132.3 Ų132.376%0.75774%0.742SS**  cis-158.414838.9-79.1-174.8-10700116.7
1180D34.7Very low39Very low101 Ų101139.3 Ų139.354%0.5476%0.755SS.*  49.4102.6128.8-40.9-27.5000124.3R1178R1178-D1180 IonicContact NH1-OD1 3.44Å
1181V32.4Very low39.2Very low135 Ų135140.1 Ų140.182%0.81877%0.766SS**  42.8140106.3177.70000120.4
1182P51.2Low39.8Very low111 Ų111139.5 Ų139.572%0.72176%0.764SS**  cis-136.7-135.2-34.743.4-20.6000109.9
1183P49.8Very low39.2Very low110 Ų110142 Ų14271%0.71477%0.767SS**  cis-127.1-173.1-34.540.2-22.6000115.4
1184S36.5Very low39Very low105 Ų105142.8 Ų142.873%0.73476%0.764SS**  trans-51.8166.7164.555.50000116
1185P36.4Very low38.3Very low124 Ų124136.1 Ų136.181%0.80575%0.747SS**  cis-150.5-156.241.345.3-22.6000117.6
1186T32.5Very low38.1Very low130 Ų130137.4 Ų137.480%0.79874%0.742SS**  trans-98.4-152.1-174.251.10000113.8
1187P61.2Low37.1Very low112 Ų112139.6 Ų139.673%0.72774%0.744SS**  -88.8-174.9-127.742.3-28.8000114.9
1188P43.3Very low36.8Very low116 Ų116136.5 Ų136.575%0.75374%0.74SS**  -153.7150.4106.738.4-20.8000118.7
1189L32.1Very low36.5Very low161 Ų161138.9 Ų138.984%0.84375%0.75SS**  trans21.6120.7136.2-59.1164.9000120.7
1190R30.8Very low36.2Very low248 Ų248134.4 Ų134.494%0.93675%0.747SS**  -167.2131.4119.2-112.6-177.1-175.6115.1-0.5113.9
1191A31.5Very low36Very low83 Ų83135.6 Ų135.669%0.68676%0.758SS**  trans-88.4-178.4148.100000108.3
1192P45.5Very low36Very low107 Ų107135.9 Ų135.970%0.69576%0.76SS**  cis-138.8-159.93.825.62000113.2
1193R29.3Very low35Very low205 Ų205134.1 Ų134.177%0.77476%0.761SS**  trans94129.4146.9-70.9-172-179.8168.50.8120.8
1194Y29.8Very low34Very low198 Ų198133.2 Ų133.278%0.77677%0.772SS**  trans70.3153.2136.1-79.8-124.8000117.3
1195D27.7Very low33.8Very low115 Ų115131.4 Ų131.462%0.61577%0.77SS**  cis-172.1170-24.7-166.25.1000107.3
1196T30.3Very low33.7Very low91 Ų91136.6 Ų136.656%0.55878%0.776SS**  trans58.2136.4150.444.30000122.2
1197M33.8Very low34.1Very low168 Ų168145.3 Ų145.383%0.82879%0.794SS**  trans69.5117.3147.9-63.8175.1-135.500116.5
1198A30Very low32.8Very low89 Ų89147 Ų14774%0.73680%0.797SS**  cis68.9131.34000000114.8
1199R30.5Very low32.2Very low246 Ų246148.6 Ų148.693%0.92880%0.799SS**  trans67.2114.5-173.6-50.5-179.7-178.7-159.2-0.3113.1
1200G30.1Very low32.2Very low68 Ų68147.9 Ų147.970%0.70180%0.797SS**  cis111.7-1535.400000111.7
1201T31.1Very low32.3Very low125 Ų125142 Ų14277%0.76779%0.789SS**  trans57.3118.1172.143.10000118.4
1202V31.4Very low32.4Very low142 Ų142145.7 Ų145.786%0.86180%0.795SS**  trans59.3111.2147.4-171.90000116
1203G30.3Very low31.5Very low73 Ų73148.3 Ų148.375%0.75380%0.802SS**  cis100.1155.118.300000112.1
1204G29.4Very low31.6Very low91 Ų91144.2 Ų144.294%0.93880%0.804SS**  trans94.8105.7-178.400000113.1
1205G32.5Very low31.8Very low68 Ų68140.1 Ų140.170%0.70181%0.806SS**  trans166.4106.9176.700000111.8
1206Y35.3Very low32.1Very low233 Ų233142.2 Ų142.291%0.91482%0.822SS**  trans-16134.6163-45.9-89.1000114.9
1207R40.6Very low32.3Very low312 Ų312146.8 Ų146.8100%1.17785%0.846SS**  cis-158.7044.8-151-179.1-158.4-1524.7113.5

Retrieved 1,207 of 1,207 residues in 700.7 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).