A0A087YLY2_POEFO Loading...

Zinc finger protein-like 1

Required for cis-Golgi integrity and efficient ER to Golgi transport.

AlphaFold DB , UniProt , Accession A0A087YLY2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 325 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
1M75.3Confident90.9Very high163 Ų163102 Ų10280%0.80351%0.508SS*.  0113.50-60.5-87-177.100109.2V11 N13M1-V11 HydrophobicContact CB-CG1 4.44Å; M1-V11 HydrophobicContact SD-CG1 4.34Å; M1-N13 WeakPolarHBondContact CA-OD1 3.48Å; M1-N13 WeakPolarHBondContact CE-ND2 3.43Å; M1-N13 VanDerWaalsContact CG-OD1 3.29Å; M1-N13 WeakPolarHBondContact CG-OD1 3.35Å; M1-N13 PolarHBondContact N-OD1 3.07Å; M1-N13 VanDerWaalsContact N-OD1 3.12Å; M1-N13 PolarHBondContact SD-ND2 3.32Å; M1-N13 PolarHBondContact SD-OD1 2.78Å
2G88.6Confident91.3Very high18 Ų1894.6 Ų94.619%0.18647%0.472CS..EExtended strand (participates in β ladder)trans-120.5171.3177.400000111.9V11 T12G2-V11 CarbonylContact O-C 3.52Å; G2-V11 WeakPolarHBondContact O-CA 3.35Å; G2-T12 PolarHBondContact N-O 2.69Å; G2-T12 PolarHBondContact O-N 2.92Å; G2-T12 VanDerWaalsContact O-O 3.12Å
3L94.5Very high91.6Very high105 Ų10592.7 Ų92.755%0.5547%0.465SS..EExtended strand (participates in β ladder)trans-96.6132.6170.5-68.8170.3000109.6R9 V11 N22L3-R9 WeakPolarHBondContact CD2-O 3.33Å; L3-V11 HydrophobicContact CD2-CG2 3.7Å; L3-N22 WeakPolarHBondContact O-CB 3.44Å
4C95.2Very high91.9Very high5 Ų587.6 Ų87.63%0.03444%0.439CS..  trans-62.6139.5171.4-179.10000110.5C6 K10 T12 N22 C24 C27C4-C6 PolarHBondContact O-N 2.84Å; C4-C6 PolarHBondContact SG-SG 3.15Å; C4-K10 WeakPolarHBondContact CB-O 3.26Å; C4-K10 PolarHBondContact N-O 3.27Å; C4-T12 HydrophobicContact CB-CG2 4.18Å; C4-N22 WeakPolarHBondContact CA-O 3.3Å; C4-C24 HydrophobicContact CB-CB 3.83Å; C4-C24 PolarHBondContact SG-N 3.48Å; C4-C27 VanDerWaalsContact SG-SG 3.62Å
5K89.1Confident92.2Very high168 Ų16882.3 Ų82.373%0.7341%0.412SS*.SBendtrans-72.7-1.6179.5-68.1-167.9-179.8-179.70114.7V21 N22K5-V21 HydrophobicContact CD-CB 4.1Å; K5-V21 HydrophobicContact CD-CG1 3.76Å; K5-N22 PolarHBondContact N-O 3.2Å
6C92.6Very high92.4Very high22 Ų2277.1 Ų77.115%0.14939%0.387CS..SBendtrans-76.3166.117974.70000112.7C4 K8 R9 C24 C27C4-C6 PolarHBondContact O-N 2.84Å; C4-C6 PolarHBondContact SG-SG 3.15Å; C6-K8 PolarHBondContact O-N 3.08Å; C6-R9 WeakPolarHBondContact O-CG 3.28Å; C6-R9 PolarHBondContact O-N 2.9Å; C6-C24 VanDerWaalsContact SG-SG 3.66Å; C6-C27 WeakPolarHBondContact CB-SG 3.33Å; C6-C27 VanDerWaalsContact SG-SG 3.64Å
7P93.2Very high92.7Very high132 Ų13272.8 Ų72.886%0.85737%0.365SS*.THydrogen-bonded Turntrans-55.9-28.2179.3-26.535.3000114.1R9P7-R9 VanDerWaalsContact C-N 3.29Å; P7-R9 PolarHBondContact O-N 2.99Å
8K90.4Very high92.8Very high124 Ų12473.6 Ų73.654%0.53937%0.367SS..THydrogen-bonded Turntrans-73.4-17.6179.1-58.3-173.2179.7-172.40113.5C6 K10 H26C6-K8 PolarHBondContact O-N 3.08Å; K8-K10 HydrophobicContact CB-CG 4.12Å; K8-K10 PolarHBondContact O-N 3.43Å; K8-H26 PolarHBondContact NZ-CD2 3.27Å; K8-H26 PolarHBondContact NZ-NE2 3.04Å
9R92.5Very high92.8Very high189 Ų18974.7 Ų74.771%0.71337%0.371SS*.  trans43.341.9178.8-60.2-175.3178.2-168.30.5114.2L3 C6 P7L3-R9 WeakPolarHBondContact CD2-O 3.33Å; C6-R9 WeakPolarHBondContact O-CG 3.28Å; C6-R9 PolarHBondContact O-N 2.9Å; P7-R9 VanDerWaalsContact C-N 3.29Å; P7-R9 PolarHBondContact O-N 2.99Å
10K93.5Very high93Very high94 Ų9480.2 Ų80.241%0.40939%0.387SS..  trans-68.5139.3179.5-66.4-164.3175-162.80110.5C4 K8 C24 H26C4-K10 WeakPolarHBondContact CB-O 3.26Å; C4-K10 PolarHBondContact N-O 3.27Å; K8-K10 HydrophobicContact CB-CG 4.12Å; K8-K10 PolarHBondContact O-N 3.43Å; K10-C24 HydrophobicContact CB-CB 4.03Å; K10-H26 PolarHBondContact NZ-CE1 3.22Å; K10-H26 VanDerWaalsContact NZ-CE1 3.27Å
11V95.3Very high93.1Very high102 Ų10277.5 Ų77.562%0.61838%0.376SS*.EExtended strand (participates in β ladder)trans-63.4137166.6-179.60000108.4M1 G2 L3M1-V11 HydrophobicContact CB-CG1 4.44Å; M1-V11 HydrophobicContact SD-CG1 4.34Å; G2-V11 CarbonylContact O-C 3.52Å; G2-V11 WeakPolarHBondContact O-CA 3.35Å; L3-V11 HydrophobicContact CD2-CG2 3.7Å
12T95.3Very high94.1Very high13 Ų1371.2 Ų71.28%0.0835%0.346CS..EExtended strand (participates in β ladder)trans-151.7151.6-175.6-1750000110.6G2 C4 L14 N22 V23G2-T12 PolarHBondContact N-O 2.69Å; G2-T12 PolarHBondContact O-N 2.92Å; G2-T12 VanDerWaalsContact O-O 3.12Å; C4-T12 HydrophobicContact CB-CG2 4.18Å; T12-L14 WeakPolarHBondContact OG1-CB 3.34Å; T12-L14 PolarHBondContact OG1-N 3.36Å; T12-N22 HydrophobicContact CG2-CB 3.98Å; T12-V23 VanDerWaalsContact CB-O 3.27Å; T12-V23 WeakPolarHBondContact CB-O 3.34Å; T12-V23 WeakPolarHBondContact CG2-O 3.46Å; T12-V23 PolarHBondContact OG1-O 2.92Å
13N94.9Very high94.5Very high70 Ų7070.5 Ų70.537%0.37434%0.337SS..  trans-103.30163.5-70.3-51.3000112.5M1 S39 Y40M1-N13 WeakPolarHBondContact CA-OD1 3.48Å; M1-N13 WeakPolarHBondContact CE-ND2 3.43Å; M1-N13 VanDerWaalsContact CG-OD1 3.29Å; M1-N13 WeakPolarHBondContact CG-OD1 3.35Å; M1-N13 PolarHBondContact N-OD1 3.07Å; M1-N13 VanDerWaalsContact N-OD1 3.12Å; M1-N13 PolarHBondContact SD-ND2 3.32Å; M1-N13 PolarHBondContact SD-OD1 2.78Å; N13-S39 CarbonylContact O-C 3.6Å; N13-S39 WeakPolarHBondContact O-CA 3.32Å; N13-Y40 PolarHBondContact O-N 2.66Å
14L95.7Very high94.5Very high21 Ų2165.7 Ų65.711%0.1131%0.313CS..EExtended strand (participates in β ladder)trans-83.5135.7-179.6-52.7174.9000110.5T12 N22 V23 E25 L28 V37 Q38 Y71T12-L14 WeakPolarHBondContact OG1-CB 3.34Å; T12-L14 PolarHBondContact OG1-N 3.36Å; L14-N22 WeakPolarHBondContact O-CA 3.22Å; L14-V23 HydrophobicContact CB-CG2 4.05Å; L14-V23 WeakPolarHBondContact CB-O 3.44Å; L14-V23 PolarHBondContact O-N 3.04Å; L14-E25 HydrophobicContact CD1-CG 4.31Å; L14-L28 HydrophobicContact CD1-CD1 4.15Å; L14-L28 HydrophobicContact CD1-CD2 3.98Å; L14-V37 HydrophobicContact CB-CG1 3.88Å; L14-Q38 WeakPolarHBondContact CA-O 3.34Å; L14-Y71 HydrophobicContact CD1-CE1 3.93Å; L14-Y71 HydrophobicContact CD1-CE2 4.22Å; L14-Y71 HydrophobicContact CD2-CD2 3.82Å; L14-Y71 HydrophobicContact CD2-CE2 3.56Å; L14-Y71 HydrophobicContact CD2-CG 4.46Å
15F96.6Very high94.5Very high8 Ų868.2 Ų68.24%0.03532%0.324CS..EExtended strand (participates in β ladder)trans-131.8131.2-178.8-165.6-95.5000110F17 R20 V21 V37 Q38 Y40 W43F15-F17 HydrophobicContact CD1-CD2 4.34Å; F15-R20 HydrophobicContact CE1-CB 4.32Å; F15-R20 HydrophobicContact CZ-CB 4.19Å; F15-R20 WeakPolarHBondContact CZ-O 3.44Å; F15-V21 VanDerWaalsContact CD2-C 3.47Å; F15-V37 WeakPolarHBondContact O-CA 3.36Å; F15-V37 WeakPolarHBondContact O-CG1 3.3Å; F15-Q38 PolarHBondContact N-O 3.27Å; F15-Q38 PolarHBondContact O-N 3.21Å; F15-Q38 VanDerWaalsContact O-N 3.15Å; F15-Y40 HydrophobicContact CB-CD2 4.21Å; F15-Y40 AromaticContact CD2-CD2 3.45Å; F15-Y40 HydrophobicContact CD2-CD2 3.45Å; F15-Y40 VanDerWaalsContact CD2-CD2 3.45Å; F15-Y40 AromaticContact CD2-CE2 4Å; F15-Y40 HydrophobicContact CD2-CE2 4Å; F15-Y40 AromaticContact CE2-CD2 3.87Å; F15-Y40 HydrophobicContact CE2-CD2 3.87Å; F15-Y40 AromaticContact CE2-CE2 3.92Å; F15-Y40 HydrophobicContact CE2-CE2 3.92Å; F15-Y40 AromaticContact CG-CD2 3.89Å; F15-Y40 HydrophobicContact CG-CD2 3.89Å; F15-W43 HydrophobicContact CD1-CB 3.83Å; F15-W43 AromaticContact CD1-CD1 3.76Å; F15-W43 AromaticContact CD1-CD2 3.8Å; F15-W43 HydrophobicContact CD1-CD2 3.8Å; F15-W43 HydrophobicContact CD1-CE3 4.43Å; F15-W43 AromaticContact CD1-CG 3.46Å; F15-W43 HydrophobicContact CD1-CG 3.46Å; F15-W43 VanDerWaalsContact CD1-CG 3.46Å; F15-W43 HydrophobicContact CE1-CB 4.3Å; F15-W43 AromaticContact CE1-CD1 3.57Å; F15-W43 AromaticContact CE1-CD2 3.34Å; F15-W43 HydrophobicContact CE1-CD2 3.34Å; F15-W43 AromaticContact CE1-CE2 3.41Å; F15-W43 VanDerWaalsContact CE1-CE2 3.41Å; F15-W43 AromaticContact CE1-CE3 3.97Å; F15-W43 HydrophobicContact CE1-CE3 3.97Å; F15-W43 AromaticContact CE1-CG 3.45Å; F15-W43 HydrophobicContact CE1-CG 3.45Å; F15-W43 VanDerWaalsContact CE1-CG 3.45Å; F15-W43 HydrophobicContact CE1-CZ2 4.08Å; F15-W43 AromaticContact CE1-NE1 3.53Å; F15-W43 HydrophobicContact CG-CB 4.44Å; F15-W43 HydrophobicContact CG-CG 4.39Å; F15-W43 AromaticContact CZ-CD2 3.81Å; F15-W43 HydrophobicContact CZ-CD2 3.81Å; F15-W43 AromaticContact CZ-CE2 3.85Å; F15-W43 HydrophobicContact CZ-CE3 4Å; F15-W43 HydrophobicContact CZ-CG 4.36Å; F15-W43 HydrophobicContact CZ-CH2 4.25Å; F15-W43 HydrophobicContact CZ-CZ2 4.08Å; F15-W43 HydrophobicContact CZ-CZ3 4.22Å
16C96.4Very high94.8Very high0 Ų063 Ų630%030%0.302CS..EExtended strand (participates in β ladder)trans-86.4120.1175.9179.70000109.4H19 R20 V21 V23 C35 V37C16-H19 HydrophobicContact CB-CB 4.35Å; C16-H19 PolarHBondContact SG-ND1 2.73Å; C16-R20 VanDerWaalsContact O-CA 3.24Å; C16-R20 WeakPolarHBondContact O-CA 3.41Å; C16-R20 PolarHBondContact O-N 3.13Å; C16-V21 PolarHBondContact N-O 3.32Å; C16-V21 PolarHBondContact O-N 3.46Å; C16-V23 HydrophobicContact CB-CG1 3.9Å; C16-V23 HydrophobicContact CB-CG2 4.21Å; C16-C35 VanDerWaalsContact SG-CB 3.51Å; C16-V37 HydrophobicContact CB-CG2 4.16Å
17F96.2Very high95Very high3 Ų362.5 Ų62.51%0.01330%0.299CS..THydrogen-bonded Turntrans-73.7-37.1-175.4-81.7-127.8000111.6F15 I36 Q38 Q42 W43 D46 Y49F15-F17 HydrophobicContact CD1-CD2 4.34Å; F17-I36 PolarHBondContact N-O 2.93Å; F17-Q38 HydrophobicContact CE2-CB 3.72Å; F17-Q38 HydrophobicContact CE2-CG 4.43Å; F17-Q38 HydrophobicContact CZ-CB 4.11Å; F17-Q42 HydrophobicContact CZ-CB 4.39Å; F17-Q42 HydrophobicContact CZ-CG 4.32Å; F17-W43 AromaticContact CD1-CD1 3.9Å; F17-W43 HydrophobicContact CD2-CB 4.37Å; F17-W43 HydrophobicContact CE1-CB 4.17Å; F17-W43 AromaticContact CE1-CD1 3.97Å; F17-W43 HydrophobicContact CE2-CB 3.64Å; F17-W43 HydrophobicContact CE2-CG 4.31Å; F17-W43 VanDerWaalsContact CZ-CA 3.41Å; F17-W43 HydrophobicContact CZ-CB 3.54Å; F17-W43 HydrophobicContact CZ-CG 4.28Å; F17-D46 WeakPolarHBondContact CE1-O 3.46Å; F17-Y49 HydrophobicContact CB-CD1 3.76Å; F17-Y49 HydrophobicContact CB-CE1 4.31Å; F17-Y49 HydrophobicContact CB-CG 3.93Å; F17-Y49 HydrophobicContact CD1-CD1 4.26Å; F17-Y49 HydrophobicContact CD1-CG 4.42Å
18E94.6Very high95.1Very high87 Ų8756.2 Ų56.241%0.40726%0.258SS..THydrogen-bonded Turntrans-64.7-47.4177.3-175.8178.6-163.200112.1C35E18-C35 WeakPolarHBondContact OE2-CB 3.41Å; E18-C35 PolarHBondContact OE2-SG 2.61Å
19H94.3Very high95.4Very high96 Ų9652.5 Ų52.544%0.44425%0.245SC..THydrogen-bonded Turntrans-93.1-9.4-175.4-65.692.6000113.8C16 V21 H32 C35C16-H19 HydrophobicContact CB-CB 4.35Å; C16-H19 PolarHBondContact SG-ND1 2.73Å; H19-V21 HydrophobicContact CB-CG2 3.87Å; H19-V21 WeakPolarHBondContact O-CG1 3.41Å; H19-V21 PolarHBondContact O-N 2.73Å; H19-H32 AromaticContact CE1-CE1 3.82Å; H19-H32 AromaticContact CE1-ND1 3.62Å; H19-H32 AromaticContact CG-CE1 3.61Å; H19-H32 AromaticContact CG-ND1 3.98Å; H19-H32 AromaticContact ND1-CE1 3.33Å; H19-H32 PolarHBondContact ND1-CE1 3.11Å; H19-H32 VanDerWaalsContact ND1-CE1 3.33Å; H19-H32 AromaticContact ND1-ND1 3.23Å; H19-H32 PolarHBondContact ND1-ND1 2.65Å; H19-C35 PolarHBondContact CE1-SG 2.74Å
20R94.9Very high95.5Very high183 Ų18347 Ų4769%0.69124%0.236SC*.THydrogen-bonded Turntrans53.447.2-177.2-54.3-179.7-175.1-173.9-0.8113.2F15 C16F15-R20 HydrophobicContact CE1-CB 4.32Å; F15-R20 HydrophobicContact CZ-CB 4.19Å; F15-R20 WeakPolarHBondContact CZ-O 3.44Å; C16-R20 VanDerWaalsContact O-CA 3.24Å; C16-R20 WeakPolarHBondContact O-CA 3.41Å; C16-R20 PolarHBondContact O-N 3.13Å
21V95.4Very high95.5Very high25 Ų2548 Ų4815%0.15225%0.246CC..EExtended strand (participates in β ladder)trans-139.2148.6-179.4-62.70000113.3K5 F15 C16 H19 V23K5-V21 HydrophobicContact CD-CB 4.1Å; K5-V21 HydrophobicContact CD-CG1 3.76Å; F15-V21 VanDerWaalsContact CD2-C 3.47Å; C16-V21 PolarHBondContact N-O 3.32Å; C16-V21 PolarHBondContact O-N 3.46Å; H19-V21 HydrophobicContact CB-CG2 3.87Å; H19-V21 WeakPolarHBondContact O-CG1 3.41Å; H19-V21 PolarHBondContact O-N 2.73Å; V21-V23 HydrophobicContact CG2-CG1 4.04Å
22N96.3Very high95.5Very high31 Ų3144.3 Ų44.317%0.16622%0.222CC..EExtended strand (participates in β ladder)trans-67130.9169.5-71.1-67.3000110.8L3 C4 K5 T12 L14L3-N22 WeakPolarHBondContact O-CB 3.44Å; C4-N22 WeakPolarHBondContact CA-O 3.3Å; K5-N22 PolarHBondContact N-O 3.2Å; T12-N22 HydrophobicContact CG2-CB 3.98Å; L14-N22 WeakPolarHBondContact O-CA 3.22Å
23V96.6Very high95.4Very high2 Ų247.5 Ų47.51%0.01224%0.238CC..  trans-128.7148-174.2-69.60000111T12 L14 C16 V21 C27 L28 V37T12-V23 VanDerWaalsContact CB-O 3.27Å; T12-V23 WeakPolarHBondContact CB-O 3.34Å; T12-V23 WeakPolarHBondContact CG2-O 3.46Å; T12-V23 PolarHBondContact OG1-O 2.92Å; L14-V23 HydrophobicContact CB-CG2 4.05Å; L14-V23 WeakPolarHBondContact CB-O 3.44Å; L14-V23 PolarHBondContact O-N 3.04Å; C16-V23 HydrophobicContact CB-CG1 3.9Å; C16-V23 HydrophobicContact CB-CG2 4.21Å; V21-V23 HydrophobicContact CG2-CG1 4.04Å; V23-C27 HydrophobicContact CB-CB 4.43Å; V23-L28 HydrophobicContact CB-CD1 3.82Å; V23-L28 HydrophobicContact CG2-CD1 3.47Å; V23-L28 VanDerWaalsContact CG2-CD1 3.47Å; V23-V37 HydrophobicContact CG2-CG1 3.75Å; V23-V37 HydrophobicContact CG2-CG2 4.3Å
24C96Very high95.4Very high5 Ų547 Ų473%0.03423%0.233CC..  trans-107.4163.8171.871.20000110.1C4 C6 K10 H26 C27 L28C4-C24 HydrophobicContact CB-CB 3.83Å; C4-C24 PolarHBondContact SG-N 3.48Å; C6-C24 VanDerWaalsContact SG-SG 3.66Å; K10-C24 HydrophobicContact CB-CB 4.03Å; C24-H26 PolarHBondContact O-N 3.01Å; C24-C27 WeakPolarHBondContact O-CA 3.29Å; C24-C27 WeakPolarHBondContact O-CB 3.26Å; C24-C27 PolarHBondContact O-N 3.38Å; C24-L28 VanDerWaalsContact O-CD1 3.27Å; C24-L28 WeakPolarHBondContact O-CD1 3.14Å; C24-L28 PolarHBondContact O-N 3.45Å
25E95.2Very high95.5Very high58 Ų5846.3 Ų46.327%0.27123%0.23SC..Hα-helixtrans-52.8-33.1-177.6-69.3176.4-165.200114.2L14 C27 L28 V29 Y71 S112 P113 V114L14-E25 HydrophobicContact CD1-CG 4.31Å; E25-C27 VanDerWaalsContact C-N 3.3Å; E25-C27 PolarHBondContact O-N 3.21Å; E25-L28 WeakPolarHBondContact O-CB 3.37Å; E25-L28 PolarHBondContact O-N 2.85Å; E25-V29 PolarHBondContact O-N 3.4Å; E25-Y71 HydrophobicContact CG-CE1 4.38Å; E25-Y71 PolarHBondContact OE1-OH 3.35Å; E25-S112 VanDerWaalsContact CD-OG 3.27Å; E25-S112 WeakPolarHBondContact OE2-CB 3.32Å; E25-S112 PolarHBondContact OE2-OG 3.16Å; E25-P113 HydrophobicContact CB-CG 4.42Å; E25-P113 WeakPolarHBondContact OE2-CD 3.26Å; E25-V114 HydrophobicContact CB-CG2 4.18Å; E25-V114 HydrophobicContact CG-CG2 4.4Å
26H95.6Very high95.4Very high57 Ų5747.3 Ų47.326%0.26424%0.235SC..Hα-helixtrans-66.9-34.4175.9-66.672.5000112.4K8 K10 C24 S30 P113K8-H26 PolarHBondContact NZ-CD2 3.27Å; K8-H26 PolarHBondContact NZ-NE2 3.04Å; K10-H26 PolarHBondContact NZ-CE1 3.22Å; K10-H26 VanDerWaalsContact NZ-CE1 3.27Å; C24-H26 PolarHBondContact O-N 3.01Å; H26-S30 WeakPolarHBondContact O-CB 3.47Å; H26-S30 PolarHBondContact O-N 2.9Å; H26-S30 PolarHBondContact O-OG 2.92Å; H26-P113 VanDerWaalsContact CE1-CG 3.5Å; H26-P113 WeakPolarHBondContact CE1-CG 3.35Å
27C96.3Very high95.4Very high12 Ų1247.5 Ų47.58%0.08124%0.236CC..Hα-helixtrans-76-32.9176.2-60.10000111.4C4 C6 V23 C24 E25 V29 S30 N31 H32C4-C27 VanDerWaalsContact SG-SG 3.62Å; C6-C27 WeakPolarHBondContact CB-SG 3.33Å; C6-C27 VanDerWaalsContact SG-SG 3.64Å; V23-C27 HydrophobicContact CB-CB 4.43Å; C24-C27 WeakPolarHBondContact O-CA 3.29Å; C24-C27 WeakPolarHBondContact O-CB 3.26Å; C24-C27 PolarHBondContact O-N 3.38Å; E25-C27 VanDerWaalsContact C-N 3.3Å; E25-C27 PolarHBondContact O-N 3.21Å; C27-V29 VanDerWaalsContact C-N 3.28Å; C27-V29 PolarHBondContact O-N 3.28Å; C27-S30 WeakPolarHBondContact CA-OG 3.23Å; C27-S30 PolarHBondContact O-N 3.4Å; C27-N31 PolarHBondContact O-N 3.48Å; C27-H32 PolarHBondContact O-N 2.89Å
28L95.7Very high95.4Very high0 Ų050.9 Ų50.90%025%0.252CS..Hα-helixtrans-56.2-45.2173.2-91.166.7000111L14 V23 C24 E25 H32 N33 V37 Y71 V114L14-L28 HydrophobicContact CD1-CD1 4.15Å; L14-L28 HydrophobicContact CD1-CD2 3.98Å; V23-L28 HydrophobicContact CB-CD1 3.82Å; V23-L28 HydrophobicContact CG2-CD1 3.47Å; V23-L28 VanDerWaalsContact CG2-CD1 3.47Å; C24-L28 VanDerWaalsContact O-CD1 3.27Å; C24-L28 WeakPolarHBondContact O-CD1 3.14Å; C24-L28 PolarHBondContact O-N 3.45Å; E25-L28 WeakPolarHBondContact O-CB 3.37Å; E25-L28 PolarHBondContact O-N 2.85Å; L28-H32 CarbonylContact O-C 3.56Å; L28-H32 VanDerWaalsContact O-O 3.12Å; L28-N33 WeakPolarHBondContact O-CA 3.33Å; L28-N33 PolarHBondContact O-N 3.11Å; L28-V37 HydrophobicContact CD1-CG1 4.16Å; L28-V37 HydrophobicContact CD1-CG2 4.49Å; L28-V37 HydrophobicContact CD2-CG1 4.26Å; L28-V37 HydrophobicContact CG-CG1 4.38Å; L28-V37 HydrophobicContact CG-CG2 4.33Å; L28-Y71 HydrophobicContact CD2-CD1 3.39Å; L28-Y71 HydrophobicContact CD2-CE1 3.67Å; L28-Y71 HydrophobicContact CD2-CG 4.31Å; L28-V114 HydrophobicContact CB-CG2 4.24Å; L28-V114 HydrophobicContact CD2-CG2 4.36Å
29V95.3Very high95.4Very high46 Ų4649.3 Ų49.328%0.27925%0.251SS..Hα-helixtrans-74.3-41.3-179.2177.70000112.2E25 C27 P113 V114 V117E25-V29 PolarHBondContact O-N 3.4Å; C27-V29 VanDerWaalsContact C-N 3.28Å; C27-V29 PolarHBondContact O-N 3.28Å; V29-P113 HydrophobicContact CG2-CB 4.13Å; V29-V114 HydrophobicContact CG2-CB 4.47Å; V29-V114 HydrophobicContact CG2-CG2 3.85Å; V29-V117 HydrophobicContact CG1-CB 4.37Å; V29-V117 HydrophobicContact CG1-CG2 3.55Å; V29-V117 HydrophobicContact CG2-CG2 4.45Å
30S94.5Very high95.4Very high73 Ų7348.2 Ų48.251%0.5124%0.243SC..Hα-helixtrans-85-43.6-170.550.50000115.1H26 C27H26-S30 WeakPolarHBondContact O-CB 3.47Å; H26-S30 PolarHBondContact O-N 2.9Å; H26-S30 PolarHBondContact O-OG 2.92Å; C27-S30 WeakPolarHBondContact CA-OG 3.23Å; C27-S30 PolarHBondContact O-N 3.4Å
31N93.9Very high95.4Very high116 Ų11645 Ų4562%0.6224%0.239SC*.THydrogen-bonded Turntrans-125.8-13.6-169.6-62.5-61.5000113.5C27C27-N31 PolarHBondContact O-N 3.48Å
32H95Very high95.3Very high24 Ų2447.3 Ų47.311%0.11125%0.248CC..  trans-127.237.9-177.6-61.5-72.1000111.3H19 C27 L28 K34 C35 R67H19-H32 AromaticContact CE1-CE1 3.82Å; H19-H32 AromaticContact CE1-ND1 3.62Å; H19-H32 AromaticContact CG-CE1 3.61Å; H19-H32 AromaticContact CG-ND1 3.98Å; H19-H32 AromaticContact ND1-CE1 3.33Å; H19-H32 PolarHBondContact ND1-CE1 3.11Å; H19-H32 VanDerWaalsContact ND1-CE1 3.33Å; H19-H32 AromaticContact ND1-ND1 3.23Å; H19-H32 PolarHBondContact ND1-ND1 2.65Å; C27-H32 PolarHBondContact O-N 2.89Å; L28-H32 CarbonylContact O-C 3.56Å; L28-H32 VanDerWaalsContact O-O 3.12Å; H32-K34 VanDerWaalsContact C-N 3.31Å; H32-K34 PolarHBondContact O-N 3.24Å; H32-C35 HydrophobicContact CB-CB 4.02Å; H32-C35 PolarHBondContact ND1-SG 2.61Å; H32-C35 VanDerWaalsContact ND1-SG 3.37Å; H32-C35 PolarHBondContact O-N 3.45Å; H32-R67 PolarHBondContact O-NH2 3.45Å
33N94.4Very high95.2Very high80 Ų8048.7 Ų48.743%0.42825%0.251SS..SBendtrans-66.1-34.3-177.158.7-9.2000112.1L28 R67L28-N33 WeakPolarHBondContact O-CA 3.33Å; L28-N33 PolarHBondContact O-N 3.11Å; N33-R67 PolarHBondContact O-NH2 3.24Å
34K95.6Very high95Very high59 Ų5953.4 Ų53.426%0.25728%0.276SS..SBendtrans-97.1-10.2179.3-59.3-170.9-177.6-154.10115H32 T61 H63 T65H32-K34 VanDerWaalsContact C-N 3.31Å; H32-K34 PolarHBondContact O-N 3.24Å; K34-T61 PolarHBondContact NZ-O 2.86Å; K34-T61 VanDerWaalsContact NZ-O 3.1Å; K34-H63 PolarHBondContact NZ-O 2.91Å; K34-T65 HydrophobicContact CD-CG2 4.46Å; K34-T65 HydrophobicContact CG-CG2 4.07Å
35C95.8Very high94.9Very high7 Ų760.4 Ų60.45%0.04731%0.308CS..SBendtrans-75.1150.1-173-54.80000112.7C16 E18 H19 H32 V37 R67C16-C35 VanDerWaalsContact SG-CB 3.51Å; E18-C35 WeakPolarHBondContact OE2-CB 3.41Å; E18-C35 PolarHBondContact OE2-SG 2.61Å; H19-C35 PolarHBondContact CE1-SG 2.74Å; H32-C35 HydrophobicContact CB-CB 4.02Å; H32-C35 PolarHBondContact ND1-SG 2.61Å; H32-C35 VanDerWaalsContact ND1-SG 3.37Å; H32-C35 PolarHBondContact O-N 3.45Å; C35-V37 HydrophobicContact CB-CG2 4.31Å; C35-V37 PolarHBondContact O-N 3.49Å; C35-R67 PolarHBondContact O-NH2 2.83Å
36I96.4Very high94.8Very high29 Ų2961.2 Ų61.215%0.14931%0.314CS..  trans-74.4122.9166.3-53.6-54.7000109.3F17 Y49 N50 L60F17-I36 PolarHBondContact N-O 2.93Å; I36-Y49 HydrophobicContact CB-CD2 4.22Å; I36-Y49 HydrophobicContact CG1-CD2 3.98Å; I36-N50 WeakPolarHBondContact CG1-O 3.33Å; I36-L60 HydrophobicContact CD1-CD1 3.53Å
37V96.2Very high94.7Very high4 Ų461.6 Ų61.62%0.02432%0.323CS..EExtended strand (participates in β ladder)trans-133.6124.5-177.7179.30000108.5L14 F15 C16 V23 L28 C35L14-V37 HydrophobicContact CB-CG1 3.88Å; F15-V37 WeakPolarHBondContact O-CA 3.36Å; F15-V37 WeakPolarHBondContact O-CG1 3.3Å; C16-V37 HydrophobicContact CB-CG2 4.16Å; V23-V37 HydrophobicContact CG2-CG1 3.75Å; V23-V37 HydrophobicContact CG2-CG2 4.3Å; L28-V37 HydrophobicContact CD1-CG1 4.16Å; L28-V37 HydrophobicContact CD1-CG2 4.49Å; L28-V37 HydrophobicContact CD2-CG1 4.26Å; L28-V37 HydrophobicContact CG-CG1 4.38Å; L28-V37 HydrophobicContact CG-CG2 4.33Å; C35-V37 HydrophobicContact CB-CG2 4.31Å; C35-V37 PolarHBondContact O-N 3.49Å
38Q95.1Very high94.6Very high75 Ų7567.1 Ų67.135%0.3535%0.352SS..EExtended strand (participates in β ladder)trans-137.8-168.9176.2-64.5-179.1-2000109.8L14 F15 F17 Q42L14-Q38 WeakPolarHBondContact CA-O 3.34Å; F15-Q38 PolarHBondContact N-O 3.27Å; F15-Q38 PolarHBondContact O-N 3.21Å; F15-Q38 VanDerWaalsContact O-N 3.15Å; F17-Q38 HydrophobicContact CE2-CB 3.72Å; F17-Q38 HydrophobicContact CE2-CG 4.43Å; F17-Q38 HydrophobicContact CZ-CB 4.11Å; Q38-Q42 HydrophobicContact CB-CB 4.48Å; Q38-Q42 VanDerWaalsContact OE1-CG 3.28Å
39S95Very high94.5Very high53 Ų5371.9 Ų71.937%0.37137%0.371SS..EExtended strand (participates in β ladder)trans-67.7147.117684.90000111.4N13 L41 Q42 W43N13-S39 CarbonylContact O-C 3.6Å; N13-S39 WeakPolarHBondContact O-CA 3.32Å; S39-L41 PolarHBondContact O-N 3.09Å; S39-Q42 WeakPolarHBondContact O-CB 3.48Å; S39-Q42 PolarHBondContact O-N 3.12Å; S39-Q42 VanDerWaalsContact O-N 3.15Å; S39-Q42 WeakPolarHBondContact OG-CB 3.18Å; S39-Q42 PolarHBondContact OG-N 3.11Å; S39-W43 PolarHBondContact O-N 2.86Å
40Y94.4Very high94.5Very high73 Ų7374 Ų7429%0.28638%0.38SS..Hα-helixtrans-60.4-30.8173.9179.5-112.7000112.5N13 F15 W43 L44N13-Y40 PolarHBondContact O-N 2.66Å; F15-Y40 HydrophobicContact CB-CD2 4.21Å; F15-Y40 AromaticContact CD2-CD2 3.45Å; F15-Y40 HydrophobicContact CD2-CD2 3.45Å; F15-Y40 VanDerWaalsContact CD2-CD2 3.45Å; F15-Y40 AromaticContact CD2-CE2 4Å; F15-Y40 HydrophobicContact CD2-CE2 4Å; F15-Y40 AromaticContact CE2-CD2 3.87Å; F15-Y40 HydrophobicContact CE2-CD2 3.87Å; F15-Y40 AromaticContact CE2-CE2 3.92Å; F15-Y40 HydrophobicContact CE2-CE2 3.92Å; F15-Y40 AromaticContact CG-CD2 3.89Å; F15-Y40 HydrophobicContact CG-CD2 3.89Å; Y40-W43 AromaticContact CD2-CE3 3.98Å; Y40-W43 HydrophobicContact CD2-CE3 3.98Å; Y40-W43 AromaticContact CE2-CE3 3.57Å; Y40-W43 HydrophobicContact CE2-CE3 3.57Å; Y40-W43 AromaticContact CE2-CZ3 3.72Å; Y40-W43 HydrophobicContact CE2-CZ3 3.72Å; Y40-W43 PolarHBondContact O-N 3.4Å; Y40-L44 HydrophobicContact CD1-CD1 4.06Å; Y40-L44 HydrophobicContact CE1-CD1 3.57Å; Y40-L44 HydrophobicContact CE1-CG 4.12Å; Y40-L44 HydrophobicContact CE2-CG 4.45Å; Y40-L44 WeakPolarHBondContact O-CG 3.45Å; Y40-L44 PolarHBondContact O-N 3.27Å
41L93.8Very high94.5Very high117 Ų11773.5 Ų73.561%0.61338%0.376SS*.Hα-helixtrans-66.7-41.6175.7-66.9179000111.3S39 W43 L44 Q45S39-L41 PolarHBondContact O-N 3.09Å; L41-W43 VanDerWaalsContact C-N 3.31Å; L41-W43 PolarHBondContact O-N 2.88Å; L41-L44 PolarHBondContact O-N 3.02Å; L41-Q45 WeakPolarHBondContact O-CG 3.45Å; L41-Q45 PolarHBondContact O-N 2.95Å; L41-Q45 VanDerWaalsContact O-N 3.12Å
42Q93.7Very high94.6Very high73 Ų7370.7 Ų70.734%0.34136%0.36SS..Hα-helixtrans-60-45.5176.2-170.264.324.500110.5F17 Q38 S39 L44 Q45 D46F17-Q42 HydrophobicContact CZ-CB 4.39Å; F17-Q42 HydrophobicContact CZ-CG 4.32Å; Q38-Q42 HydrophobicContact CB-CB 4.48Å; Q38-Q42 VanDerWaalsContact OE1-CG 3.28Å; S39-Q42 WeakPolarHBondContact O-CB 3.48Å; S39-Q42 PolarHBondContact O-N 3.12Å; S39-Q42 VanDerWaalsContact O-N 3.15Å; S39-Q42 WeakPolarHBondContact OG-CB 3.18Å; S39-Q42 PolarHBondContact OG-N 3.11Å; Q42-L44 VanDerWaalsContact C-N 3.27Å; Q42-L44 PolarHBondContact O-N 3.31Å; Q42-Q45 PolarHBondContact O-N 3.42Å; Q42-D46 CarbonylContact O-C 3.5Å; Q42-D46 PolarHBondContact O-N 3.02Å
43W94.1Very high94.7Very high60 Ų6069.5 Ų69.523%0.22736%0.355CS..Hα-helixtrans-59.7-34.7177.7178.772.8000113.8F15 F17 S39 Y40 L41 D46F15-W43 HydrophobicContact CD1-CB 3.83Å; F15-W43 AromaticContact CD1-CD1 3.76Å; F15-W43 AromaticContact CD1-CD2 3.8Å; F15-W43 HydrophobicContact CD1-CD2 3.8Å; F15-W43 HydrophobicContact CD1-CE3 4.43Å; F15-W43 AromaticContact CD1-CG 3.46Å; F15-W43 HydrophobicContact CD1-CG 3.46Å; F15-W43 VanDerWaalsContact CD1-CG 3.46Å; F15-W43 HydrophobicContact CE1-CB 4.3Å; F15-W43 AromaticContact CE1-CD1 3.57Å; F15-W43 AromaticContact CE1-CD2 3.34Å; F15-W43 HydrophobicContact CE1-CD2 3.34Å; F15-W43 AromaticContact CE1-CE2 3.41Å; F15-W43 VanDerWaalsContact CE1-CE2 3.41Å; F15-W43 AromaticContact CE1-CE3 3.97Å; F15-W43 HydrophobicContact CE1-CE3 3.97Å; F15-W43 AromaticContact CE1-CG 3.45Å; F15-W43 HydrophobicContact CE1-CG 3.45Å; F15-W43 VanDerWaalsContact CE1-CG 3.45Å; F15-W43 HydrophobicContact CE1-CZ2 4.08Å; F15-W43 AromaticContact CE1-NE1 3.53Å; F15-W43 HydrophobicContact CG-CB 4.44Å; F15-W43 HydrophobicContact CG-CG 4.39Å; F15-W43 AromaticContact CZ-CD2 3.81Å; F15-W43 HydrophobicContact CZ-CD2 3.81Å; F15-W43 AromaticContact CZ-CE2 3.85Å; F15-W43 HydrophobicContact CZ-CE3 4Å; F15-W43 HydrophobicContact CZ-CG 4.36Å; F15-W43 HydrophobicContact CZ-CH2 4.25Å; F15-W43 HydrophobicContact CZ-CZ2 4.08Å; F15-W43 HydrophobicContact CZ-CZ3 4.22Å; F17-W43 AromaticContact CD1-CD1 3.9Å; F17-W43 HydrophobicContact CD2-CB 4.37Å; F17-W43 HydrophobicContact CE1-CB 4.17Å; F17-W43 AromaticContact CE1-CD1 3.97Å; F17-W43 HydrophobicContact CE2-CB 3.64Å; F17-W43 HydrophobicContact CE2-CG 4.31Å; F17-W43 VanDerWaalsContact CZ-CA 3.41Å; F17-W43 HydrophobicContact CZ-CB 3.54Å; F17-W43 HydrophobicContact CZ-CG 4.28Å; S39-W43 PolarHBondContact O-N 2.86Å; Y40-W43 AromaticContact CD2-CE3 3.98Å; Y40-W43 HydrophobicContact CD2-CE3 3.98Å; Y40-W43 AromaticContact CE2-CE3 3.57Å; Y40-W43 HydrophobicContact CE2-CE3 3.57Å; Y40-W43 AromaticContact CE2-CZ3 3.72Å; Y40-W43 HydrophobicContact CE2-CZ3 3.72Å; Y40-W43 PolarHBondContact O-N 3.4Å; L41-W43 VanDerWaalsContact C-N 3.31Å; L41-W43 PolarHBondContact O-N 2.88Å; W43-D46 WeakPolarHBondContact CA-O 3.15Å; W43-D46 CarbonylContact O-C 3.59Å
44L93.1Very high94.7Very high100 Ų10068.4 Ų68.452%0.52436%0.357SS..Hα-helixtrans-72.3-30.7176.3-73175.1000112.8Y40 L41 Q42Y40-L44 HydrophobicContact CD1-CD1 4.06Å; Y40-L44 HydrophobicContact CE1-CD1 3.57Å; Y40-L44 HydrophobicContact CE1-CG 4.12Å; Y40-L44 HydrophobicContact CE2-CG 4.45Å; Y40-L44 WeakPolarHBondContact O-CG 3.45Å; Y40-L44 PolarHBondContact O-N 3.27Å; L41-L44 PolarHBondContact O-N 3.02Å; Q42-L44 VanDerWaalsContact C-N 3.27Å; Q42-L44 PolarHBondContact O-N 3.31Å
45Q94.8Very high94.8Very high153 Ų15368.3 Ų68.372%0.71536%0.359SS*.Hα-helixtrans-81.1-44.4178.8-71174.5-14.300111.2L41 Q42L41-Q45 WeakPolarHBondContact O-CG 3.45Å; L41-Q45 PolarHBondContact O-N 2.95Å; L41-Q45 VanDerWaalsContact O-N 3.12Å; Q42-Q45 PolarHBondContact O-N 3.42Å
46D92.5Very high94.8Very high74 Ų7470 Ų7040%0.39637%0.37SS..  trans-144.2114.7-179.4-172.5-1.3000109.2F17 Q42 W43 D48F17-D46 WeakPolarHBondContact CE1-O 3.46Å; Q42-D46 CarbonylContact O-C 3.5Å; Q42-D46 PolarHBondContact O-N 3.02Å; W43-D46 WeakPolarHBondContact CA-O 3.15Å; W43-D46 CarbonylContact O-C 3.59Å; D46-D48 WeakPolarHBondContact OD1-CB 3.46Å; D46-D48 PolarHBondContact OD1-N 3.12Å
47S92.4Very high94.8Very high66 Ų6673.9 Ų73.946%0.46239%0.391SS..  trans-89.1-7.8178.964.20000113.2
48D94.3Very high94.8Very high127 Ų12777.9 Ų77.968%0.67941%0.412SS*.  trans-73.3142.9-179-66.7-18.2000110D46D46-D48 WeakPolarHBondContact OD1-CB 3.46Å; D46-D48 PolarHBondContact OD1-N 3.12Å
49Y94.3Very high94.9Very high100 Ų10076.8 Ų76.839%0.39241%0.412SS..  trans-147.3152.4179.368.4-84.5000111.3F17 I36 P51F17-Y49 HydrophobicContact CB-CD1 3.76Å; F17-Y49 HydrophobicContact CB-CE1 4.31Å; F17-Y49 HydrophobicContact CB-CG 3.93Å; F17-Y49 HydrophobicContact CD1-CD1 4.26Å; F17-Y49 HydrophobicContact CD1-CG 4.42Å; I36-Y49 HydrophobicContact CB-CD2 4.22Å; I36-Y49 HydrophobicContact CG1-CD2 3.98Å; Y49-P51 HydrophobicContact CE2-CB 4.19Å
50N94.6Very high95Very high90 Ų9074.4 Ų74.448%0.48140%0.395SS..  trans-103.7113.7174.3-173.4-3.6000109.8I36 N52I36-N50 WeakPolarHBondContact CG1-O 3.33Å; N50-N52 PolarHBondContact O-N 3.14Å; N50-N52 WeakPolarHBondContact OD1-CB 3.4Å; N50-N52 PolarHBondContact OD1-N 3.35Å; N50-N52 PolarHBondContact OD1-ND2 3.11Å
51P94.8Very high95Very high64 Ų6475.5 Ų75.542%0.41641%0.409SS..  trans-78.55.2177.733.8-36.1000113.5Y49 L60Y49-P51 HydrophobicContact CE2-CB 4.19Å; P51-L60 WeakPolarHBondContact O-CB 3.34Å; P51-L60 WeakPolarHBondContact O-CG 3.47Å; P51-L60 PolarHBondContact O-N 3.47Å
52N96.6Very high95Very high56 Ų5673.2 Ų73.230%0.29940%0.401SS..BIsolated β-bridgetrans-94.5147.7-179-57.3-25.4000111.4N50 A54 N58 P59N50-N52 PolarHBondContact O-N 3.14Å; N50-N52 WeakPolarHBondContact OD1-CB 3.4Å; N50-N52 PolarHBondContact OD1-N 3.35Å; N50-N52 PolarHBondContact OD1-ND2 3.11Å; N52-A54 PolarHBondContact O-N 2.91Å; N52-N58 CarbonylContact C-O 3.59Å; N52-N58 WeakPolarHBondContact CA-O 3.48Å; N52-P59 WeakPolarHBondContact OD1-CA 3.27Å
53C96.7Very high95Very high0 Ų075.1 Ų75.10%041%0.409CS..  trans-65.6126.1172.7177.50000109.9L55 C56 N57 N58 L60 H75C53-L55 PolarHBondContact O-N 3.23Å; C53-L55 VanDerWaalsContact O-N 3.07Å; C53-C56 PolarHBondContact O-N 3.11Å; C53-N57 VanDerWaalsContact O-CA 3.26Å; C53-N57 WeakPolarHBondContact O-CA 3.43Å; C53-N57 PolarHBondContact O-N 3.22Å; C53-N58 PolarHBondContact N-O 3.41Å; C53-L60 HydrophobicContact CB-CD2 3.79Å; C53-H75 VanDerWaalsContact CB-ND1 3.29Å; C53-H75 WeakPolarHBondContact CB-ND1 3.32Å; C53-H75 PolarHBondContact SG-N 3.29Å; C53-H75 VanDerWaalsContact SG-N 3.45Å
54A95.3Very high95Very high57 Ų5778.3 Ų78.347%0.47143%0.431SS..THydrogen-bonded Turntrans-66.3-12.2-178.100000114.4N52 F74N52-A54 PolarHBondContact O-N 2.91Å; A54-F74 HydrophobicContact CB-CE1 4.09Å
55L96.4Very high95.2Very high57 Ų5774.2 Ų74.230%0.29841%0.41SS..THydrogen-bonded Turntrans-89.5-31.4-179.6-68.1175000113.8C53 F74 C78 L82 P98C53-L55 PolarHBondContact O-N 3.23Å; C53-L55 VanDerWaalsContact O-N 3.07Å; L55-F74 HydrophobicContact CD1-CB 4.32Å; L55-F74 HydrophobicContact CD1-CD1 4.07Å; L55-F74 HydrophobicContact CD1-CG 4.35Å; L55-F74 HydrophobicContact CG-CD1 4.03Å; L55-C78 HydrophobicContact CB-CB 3.74Å; L55-C78 HydrophobicContact CD1-CB 3.63Å; L55-C78 HydrophobicContact CG-CB 4.34Å; L55-L82 HydrophobicContact CD2-CD2 4.1Å; L55-P98 HydrophobicContact CD1-CG 4.3Å; L55-P98 HydrophobicContact CD2-CB 3.95Å; L55-P98 HydrophobicContact CD2-CG 3.67Å; L55-P98 HydrophobicContact CG-CG 4.2Å
56C96.6Very high95.3Very high41 Ų4167 Ų6728%0.27738%0.376SS..THydrogen-bonded Turntrans-128.3-4.5-175.767.50000113.8C53 N58 H75 C78C53-C56 PolarHBondContact O-N 3.11Å; C56-N58 PolarHBondContact O-N 3.44Å; C56-H75 PolarHBondContact SG-ND1 3.06Å; C56-C78 VanDerWaalsContact SG-SG 3.66Å
57N96.3Very high95.5Very high111 Ų11164.4 Ų64.459%0.59436%0.361SS*.  trans58.612.7-177.8-60.3-44000115.6C53C53-N57 VanDerWaalsContact O-CA 3.26Å; C53-N57 WeakPolarHBondContact O-CA 3.43Å; C53-N57 PolarHBondContact O-N 3.22Å
58N97.3Very high95.7Very high88 Ų8861.3 Ų61.347%0.47134%0.339SS..SBendtrans-90.6154.1172.9-68.3-33.2000111.4N52 C53 C56N52-N58 CarbonylContact C-O 3.59Å; N52-N58 WeakPolarHBondContact CA-O 3.48Å; C53-N58 PolarHBondContact N-O 3.41Å; C56-N58 PolarHBondContact O-N 3.44Å
59P97.1Very high95.8Very high52 Ų5257.2 Ų57.234%0.33832%0.317SS..BIsolated β-bridgetrans-62.1137.8-177.716.5-23.8000112.5N52 T61 T62 H75N52-P59 WeakPolarHBondContact OD1-CA 3.27Å; P59-T61 PolarHBondContact O-N 2.95Å; P59-T61 VanDerWaalsContact O-N 3.1Å; P59-T62 HydrophobicContact CB-CG2 4.46Å; P59-T62 HydrophobicContact CG-CG2 3.75Å; P59-T62 PolarHBondContact O-N 2.8Å; P59-T62 PolarHBondContact O-OG1 3.36Å; P59-H75 PolarHBondContact O-CE1 3.1Å; P59-H75 PolarHBondContact O-NE2 3.1Å; P59-H75 VanDerWaalsContact O-NE2 3.1Å
60L95.4Very high95.8Very high4 Ų454.4 Ų54.42%0.02131%0.311CS..THydrogen-bonded Turntrans-62-19.2-178.1-72.8168.2000113.6I36 P51 C53 T62 T65 V73I36-L60 HydrophobicContact CD1-CD1 3.53Å; P51-L60 WeakPolarHBondContact O-CB 3.34Å; P51-L60 WeakPolarHBondContact O-CG 3.47Å; P51-L60 PolarHBondContact O-N 3.47Å; C53-L60 HydrophobicContact CB-CD2 3.79Å; L60-T62 VanDerWaalsContact C-N 3.29Å; L60-T62 PolarHBondContact O-N 3.22Å; L60-T65 HydrophobicContact CB-CG2 4.28Å; L60-T65 HydrophobicContact CD2-CG2 4.07Å; L60-T65 VanDerWaalsContact O-CG2 3.26Å; L60-T65 WeakPolarHBondContact O-CG2 3.36Å; L60-V73 HydrophobicContact CD1-CB 4.13Å; L60-V73 HydrophobicContact CD1-CG1 4.27Å; L60-V73 HydrophobicContact CD2-CB 4.44Å; L60-V73 HydrophobicContact CD2-CG1 4.06Å
61T94.6Very high95.9Very high95 Ų9552.7 Ų52.758%0.58330%0.299SS*.THydrogen-bonded Turntrans-69.9-23.2179.252.40000113.9K34 P59K34-T61 PolarHBondContact NZ-O 2.86Å; K34-T61 VanDerWaalsContact NZ-O 3.1Å; P59-T61 PolarHBondContact O-N 2.95Å; P59-T61 VanDerWaalsContact O-N 3.1Å
62T93.8Very high96Very high70 Ų7051.3 Ų51.343%0.42929%0.288SS..SBendtrans-68.7-42.6-169.950.30000115P59 L60 H75P59-T62 HydrophobicContact CB-CG2 4.46Å; P59-T62 HydrophobicContact CG-CG2 3.75Å; P59-T62 PolarHBondContact O-N 2.8Å; P59-T62 PolarHBondContact O-OG1 3.36Å; L60-T62 VanDerWaalsContact C-N 3.29Å; L60-T62 PolarHBondContact O-N 3.22Å; T62-H75 PolarHBondContact OG1-NE2 3.07Å; T62-H75 VanDerWaalsContact OG1-NE2 3.11Å
63H93.4Very high96Very high112 Ų11249.2 Ų49.252%0.51928%0.277SS..SBendtrans-126.5179.9-175.6-57.2-63.9000110.8K34K34-H63 PolarHBondContact NZ-O 2.91Å
64D95.8Very high96Very high127 Ų12749.3 Ų49.368%0.67928%0.277SS*.  trans-68140171.6-66.7-28.2000110.5H75 W76D64-H75 CarbonylContact O-C 3.57Å; D64-H75 WeakPolarHBondContact O-CA 3.49Å; D64-W76 PolarHBondContact O-N 3.1Å
65T96.8Very high96.2Very high15 Ų1546.6 Ų46.69%0.09226%0.255CS..EExtended strand (participates in β ladder)trans-118.3147.6-17558.10000111K34 L60 V73 F74K34-T65 HydrophobicContact CD-CG2 4.46Å; K34-T65 HydrophobicContact CG-CG2 4.07Å; L60-T65 HydrophobicContact CB-CG2 4.28Å; L60-T65 HydrophobicContact CD2-CG2 4.07Å; L60-T65 VanDerWaalsContact O-CG2 3.26Å; L60-T65 WeakPolarHBondContact O-CG2 3.36Å; T65-V73 HydrophobicContact CG2-CG1 4.06Å; T65-F74 CarbonylContact C-O 3.48Å; T65-F74 WeakPolarHBondContact CA-O 3.49Å; T65-F74 WeakPolarHBondContact CB-O 3.49Å
66V96.8Very high96.2Very high0 Ų046.3 Ų46.30%025%0.25CC..EExtended strand (participates in β ladder)trans-112.7134.617057.20000108.6L68 V73 F74 W76 L79 L118 Q121V66-L68 HydrophobicContact CG2-CD2 4.43Å; V66-V73 WeakPolarHBondContact O-CA 3.19Å; V66-F74 HydrophobicContact CG1-CB 4.4Å; V66-F74 PolarHBondContact N-O 2.89Å; V66-F74 PolarHBondContact O-N 3.44Å; V66-W76 HydrophobicContact CB-CE3 3.83Å; V66-W76 HydrophobicContact CB-CZ3 4.5Å; V66-W76 HydrophobicContact CG1-CE3 3.97Å; V66-W76 HydrophobicContact CG2-CE3 4.14Å; V66-W76 HydrophobicContact CG2-CZ3 4.32Å; V66-L79 HydrophobicContact CG1-CB 4.02Å; V66-L79 HydrophobicContact CG1-CD2 3.62Å; V66-L79 HydrophobicContact CG1-CG 4.44Å; V66-L79 HydrophobicContact CG2-CD2 4.26Å; V66-L118 HydrophobicContact CG2-CD1 3.46Å; V66-L118 VanDerWaalsContact CG2-CD1 3.46Å; V66-Q121 VanDerWaalsContact CG2-OE1 3.28Å
67R97.1Very high96.2Very high21 Ų2147.6 Ų47.68%0.07926%0.263CS..EExtended strand (participates in β ladder)trans-106.3123173.7-178178.8-62.2-82.80109H32 N33 C35 Y71 D72 V73 V114H32-R67 PolarHBondContact O-NH2 3.45Å; N33-R67 PolarHBondContact O-NH2 3.24Å; C35-R67 PolarHBondContact O-NH2 2.83Å; R67-Y71 PolarHBondContact NH1-O 2.99Å; R67-D72 WeakPolarHBondContact CA-O 3.47Å; R67-V73 HydrophobicContact CB-CG2 4.42Å; R67-V73 HydrophobicContact CG-CG2 4.27Å; R67-V114 HydrophobicContact CG-CG1 4.2Å
68L96.8Very high96.3Very high0 Ų043.6 Ų43.60%024%0.243CC..  trans-79.7167.7175.8-59.6-173.1000111.2V66 C70 Y71 D72 F74 L79 C97 V104 L118V66-L68 HydrophobicContact CG2-CD2 4.43Å; L68-C70 PolarHBondContact O-N 3.05Å; L68-Y71 WeakPolarHBondContact O-CA 3.44Å; L68-Y71 PolarHBondContact O-N 3.28Å; L68-D72 PolarHBondContact N-O 3.01Å; L68-F74 HydrophobicContact CD1-CD2 4.24Å; L68-F74 HydrophobicContact CD1-CE2 3.8Å; L68-F74 HydrophobicContact CG-CD2 4.35Å; L68-F74 HydrophobicContact CG-CE2 4.24Å; L68-L79 HydrophobicContact CD2-CD2 4.09Å; L68-C97 HydrophobicContact CD1-CB 3.73Å; L68-V104 HydrophobicContact CD1-CG2 4.18Å; L68-V104 HydrophobicContact CD2-CG1 4.09Å; L68-L118 HydrophobicContact CD2-CD1 4.02Å; L68-L118 HydrophobicContact CD2-CD2 4.3Å
69I95.4Very high96.2Very high41 Ų4139.6 Ų39.621%0.2122%0.222CC..THydrogen-bonded Turntrans-65-22177.459.8172.9000113.6Y71 P103 P106 L110 A115 L118I69-Y71 PolarHBondContact O-N 3.32Å; I69-P103 HydrophobicContact CD1-CG 4.21Å; I69-P106 HydrophobicContact CG2-CB 3.79Å; I69-L110 HydrophobicContact CG2-CD2 4.26Å; I69-A115 HydrophobicContact CG2-CB 4.39Å; I69-L118 HydrophobicContact CG2-CD2 3.98Å
70C95.3Very high96.2Very high42 Ų4239.3 Ų39.328%0.28422%0.218SC..THydrogen-bonded Turntrans-74.9-0.4170.760.30000113.2L68 D72 C100L68-C70 PolarHBondContact O-N 3.05Å; C70-D72 PolarHBondContact O-N 3.39Å; C70-D72 PolarHBondContact SG-OD2 3.46Å; C70-C100 VanDerWaalsContact CB-SG 3.51Å
71Y96.2Very high96.2Very high54 Ų5443.3 Ų43.321%0.21224%0.239CC..  trans71.9-0.8-175.5-50.9-64.5000116.3L14 E25 L28 R67 L68 I69 V114L14-Y71 HydrophobicContact CD1-CE1 3.93Å; L14-Y71 HydrophobicContact CD1-CE2 4.22Å; L14-Y71 HydrophobicContact CD2-CD2 3.82Å; L14-Y71 HydrophobicContact CD2-CE2 3.56Å; L14-Y71 HydrophobicContact CD2-CG 4.46Å; E25-Y71 HydrophobicContact CG-CE1 4.38Å; E25-Y71 PolarHBondContact OE1-OH 3.35Å; L28-Y71 HydrophobicContact CD2-CD1 3.39Å; L28-Y71 HydrophobicContact CD2-CE1 3.67Å; L28-Y71 HydrophobicContact CD2-CG 4.31Å; R67-Y71 PolarHBondContact NH1-O 2.99Å; L68-Y71 WeakPolarHBondContact O-CA 3.44Å; L68-Y71 PolarHBondContact O-N 3.28Å; I69-Y71 PolarHBondContact O-N 3.32Å; Y71-V114 HydrophobicContact CE1-CG2 4.38Å
72D96.3Very high96.2Very high35 Ų3541.2 Ų41.219%0.18722%0.224CC..  trans-65.1146170.1-62-38.8000111R67 L68 C70 F74 C97 C100R67-D72 WeakPolarHBondContact CA-O 3.47Å; L68-D72 PolarHBondContact N-O 3.01Å; C70-D72 PolarHBondContact O-N 3.39Å; C70-D72 PolarHBondContact SG-OD2 3.46Å; D72-F74 HydrophobicContact CB-CE2 3.64Å; D72-F74 HydrophobicContact CB-CZ 3.81Å; D72-C97 PolarHBondContact OD2-SG 3.36Å; D72-C100 PolarHBondContact OD2-SG 2.97Å
73V96.8Very high96.2Very high11 Ų1138.1 Ų38.17%0.06721%0.206CC..EExtended strand (participates in β ladder)trans-122.2132.6-175.2-169.30000109.6L60 T65 V66 R67L60-V73 HydrophobicContact CD1-CB 4.13Å; L60-V73 HydrophobicContact CD1-CG1 4.27Å; L60-V73 HydrophobicContact CD2-CB 4.44Å; L60-V73 HydrophobicContact CD2-CG1 4.06Å; T65-V73 HydrophobicContact CG2-CG1 4.06Å; V66-V73 WeakPolarHBondContact O-CA 3.19Å; R67-V73 HydrophobicContact CB-CG2 4.42Å; R67-V73 HydrophobicContact CG-CG2 4.27Å
74F97.7Very high96.1Very high2 Ų236.3 Ų36.31%0.00921%0.205CC..EExtended strand (participates in β ladder)trans-133.4162.4176.5-53.1-82.7000109.4A54 L55 T65 V66 L68 D72 P98 S99A54-F74 HydrophobicContact CB-CE1 4.09Å; L55-F74 HydrophobicContact CD1-CB 4.32Å; L55-F74 HydrophobicContact CD1-CD1 4.07Å; L55-F74 HydrophobicContact CD1-CG 4.35Å; L55-F74 HydrophobicContact CG-CD1 4.03Å; T65-F74 CarbonylContact C-O 3.48Å; T65-F74 WeakPolarHBondContact CA-O 3.49Å; T65-F74 WeakPolarHBondContact CB-O 3.49Å; V66-F74 HydrophobicContact CG1-CB 4.4Å; V66-F74 PolarHBondContact N-O 2.89Å; V66-F74 PolarHBondContact O-N 3.44Å; L68-F74 HydrophobicContact CD1-CD2 4.24Å; L68-F74 HydrophobicContact CD1-CE2 3.8Å; L68-F74 HydrophobicContact CG-CD2 4.35Å; L68-F74 HydrophobicContact CG-CE2 4.24Å; D72-F74 HydrophobicContact CB-CE2 3.64Å; D72-F74 HydrophobicContact CB-CZ 3.81Å; F74-P98 HydrophobicContact CE1-CB 4.28Å; F74-P98 HydrophobicContact CE1-CG 4.14Å; F74-P98 HydrophobicContact CZ-CB 4.46Å; F74-P98 HydrophobicContact CZ-CG 4.22Å; F74-S99 WeakPolarHBondContact CZ-OG 3.38Å
75H97.8Very high95.9Very high1 Ų138.4 Ų38.41%0.00520%0.204CC..EExtended strand (participates in β ladder)trans-65.2137.9163.4-61.5122.4000109.9C53 C56 P59 T62 D64 A77 C78 L79C53-H75 VanDerWaalsContact CB-ND1 3.29Å; C53-H75 WeakPolarHBondContact CB-ND1 3.32Å; C53-H75 PolarHBondContact SG-N 3.29Å; C53-H75 VanDerWaalsContact SG-N 3.45Å; C56-H75 PolarHBondContact SG-ND1 3.06Å; P59-H75 PolarHBondContact O-CE1 3.1Å; P59-H75 PolarHBondContact O-NE2 3.1Å; P59-H75 VanDerWaalsContact O-NE2 3.1Å; T62-H75 PolarHBondContact OG1-NE2 3.07Å; T62-H75 VanDerWaalsContact OG1-NE2 3.11Å; D64-H75 CarbonylContact O-C 3.57Å; D64-H75 WeakPolarHBondContact O-CA 3.49Å; H75-A77 VanDerWaalsContact C-N 3.32Å; H75-A77 PolarHBondContact O-N 3.41Å; H75-C78 HydrophobicContact CB-CB 4.07Å; H75-C78 PolarHBondContact O-N 3.43Å; H75-C78 VanDerWaalsContact O-N 3.13Å; H75-L79 PolarHBondContact O-N 3.04Å
76W97.1Very high95.6Very high51 Ų5140.8 Ų40.819%0.19322%0.216CC..Hα-helixtrans-56.9-46.9178.2173-120.3000111.5D64 V66 C78 L79 N80 Q121 L122 V125D64-W76 PolarHBondContact O-N 3.1Å; V66-W76 HydrophobicContact CB-CE3 3.83Å; V66-W76 HydrophobicContact CB-CZ3 4.5Å; V66-W76 HydrophobicContact CG1-CE3 3.97Å; V66-W76 HydrophobicContact CG2-CE3 4.14Å; V66-W76 HydrophobicContact CG2-CZ3 4.32Å; W76-C78 VanDerWaalsContact C-N 3.29Å; W76-C78 PolarHBondContact O-N 3.24Å; W76-L79 HydrophobicContact CZ3-CD2 4.4Å; W76-L79 PolarHBondContact O-N 3.09Å; W76-N80 WeakPolarHBondContact O-CB 3.39Å; W76-N80 PolarHBondContact O-N 3.39Å; W76-Q121 HydrophobicContact CH2-CB 4.41Å; W76-Q121 WeakPolarHBondContact CH2-O 3.31Å; W76-Q121 HydrophobicContact CZ3-CB 4.34Å; W76-L122 HydrophobicContact CH2-CD2 4.31Å; W76-L122 HydrophobicContact CZ3-CD2 4.24Å; W76-V125 HydrophobicContact CH2-CG1 4.35Å; W76-V125 HydrophobicContact CH2-CG2 3.83Å; W76-V125 HydrophobicContact CZ2-CB 4.48Å; W76-V125 HydrophobicContact CZ2-CG1 3.65Å; W76-V125 HydrophobicContact CZ2-CG2 3.99Å
77A97.2Very high95.3Very high67 Ų6744 Ų4455%0.55424%0.237SC*.Hα-helixtrans-59.8-37.5177.300000112.9H75 N80 N81H75-A77 VanDerWaalsContact C-N 3.32Å; H75-A77 PolarHBondContact O-N 3.41Å; A77-N80 PolarHBondContact O-N 3.28Å; A77-N81 WeakPolarHBondContact O-CB 3.35Å; A77-N81 PolarHBondContact O-N 3.5Å
78C97.3Very high94.5Very high27 Ų2751.8 Ų51.818%0.18228%0.279CS..Hα-helixtrans-69-44.1178.5-65.60000111.9L55 C56 H75 W76 N80 N81 L82L55-C78 HydrophobicContact CB-CB 3.74Å; L55-C78 HydrophobicContact CD1-CB 3.63Å; L55-C78 HydrophobicContact CG-CB 4.34Å; C56-C78 VanDerWaalsContact SG-SG 3.66Å; H75-C78 HydrophobicContact CB-CB 4.07Å; H75-C78 PolarHBondContact O-N 3.43Å; H75-C78 VanDerWaalsContact O-N 3.13Å; W76-C78 VanDerWaalsContact C-N 3.29Å; W76-C78 PolarHBondContact O-N 3.24Å; C78-N80 VanDerWaalsContact C-N 3.33Å; C78-N81 PolarHBondContact O-N 2.97Å; C78-L82 PolarHBondContact O-N 3.24Å
79L96.4Very high93.9Very high4 Ų459.7 Ų59.72%0.02132%0.315CS..Hα-helixtrans-62.4-44175-173.871.4000110.5V66 L68 H75 W76 N81 L82 A83V66-L79 HydrophobicContact CG1-CB 4.02Å; V66-L79 HydrophobicContact CG1-CD2 3.62Å; V66-L79 HydrophobicContact CG1-CG 4.44Å; V66-L79 HydrophobicContact CG2-CD2 4.26Å; L68-L79 HydrophobicContact CD2-CD2 4.09Å; H75-L79 PolarHBondContact O-N 3.04Å; W76-L79 HydrophobicContact CZ3-CD2 4.4Å; W76-L79 PolarHBondContact O-N 3.09Å; L79-N81 PolarHBondContact O-N 2.84Å; L79-L82 PolarHBondContact O-N 3.43Å; L79-A83 WeakPolarHBondContact O-CB 3.42Å; L79-A83 PolarHBondContact O-N 3.49Å
80N95.7Very high93.7Very high47 Ų4759.1 Ų59.125%0.25131%0.314SS..Hα-helixtrans-61.3-44178.8-16747.3000112.2W76 A77 C78 A83 S84 W127W76-N80 WeakPolarHBondContact O-CB 3.39Å; W76-N80 PolarHBondContact O-N 3.39Å; A77-N80 PolarHBondContact O-N 3.28Å; C78-N80 VanDerWaalsContact C-N 3.33Å; N80-A83 PolarHBondContact O-N 2.98Å; N80-S84 WeakPolarHBondContact O-CB 3.41Å; N80-S84 PolarHBondContact O-N 2.97Å; N80-S84 PolarHBondContact O-OG 3.3Å; N80-W127 PolarHBondContact OD1-NE1 2.99Å
81N96Very high93.4Very high87 Ų8760 Ų6047%0.46532%0.324SS..Hα-helixtrans-64.9-40176-175.9-63.5000112.2A77 C78 L79 R85A77-N81 WeakPolarHBondContact O-CB 3.35Å; A77-N81 PolarHBondContact O-N 3.5Å; C78-N81 PolarHBondContact O-N 2.97Å; L79-N81 PolarHBondContact O-N 2.84Å; N81-R85 WeakPolarHBondContact O-CG 3.27Å; N81-R85 PolarHBondContact O-N 2.77Å; N81-R85 PolarHBondContact O-NE 2.94Å; N81-R85 PolarHBondContact OD1-NE 3.42Å; N81-R85 PolarHBondContact OD1-NH2 3.22Å
82L95.1Very high93Very high52 Ų5260.3 Ų60.327%0.27233%0.333SS..Hα-helixtrans-61.2-49.9174.1178.765.7000111.2L55 C78 L79 S84 R85 P98L55-L82 HydrophobicContact CD2-CD2 4.1Å; C78-L82 PolarHBondContact O-N 3.24Å; L79-L82 PolarHBondContact O-N 3.43Å; L82-S84 VanDerWaalsContact C-N 3.35Å; L82-S84 PolarHBondContact O-N 2.83Å; L82-R85 PolarHBondContact O-N 3.26Å; L82-P98 HydrophobicContact CD2-CG 3.71Å
83A93.9Very high92.7Very high5 Ų562.2 Ų62.24%0.04135%0.354CS..Hα-helixtrans-63.7-38.8-179.200000112.7L79 N80 R85 L86 Y95 W127L79-A83 WeakPolarHBondContact O-CB 3.42Å; L79-A83 PolarHBondContact O-N 3.49Å; N80-A83 PolarHBondContact O-N 2.98Å; A83-R85 PolarHBondContact O-N 2.97Å; A83-L86 WeakPolarHBondContact O-CB 3.34Å; A83-L86 PolarHBondContact O-N 3.48Å; A83-L86 VanDerWaalsContact O-N 3.11Å; A83-Y95 HydrophobicContact CB-CD1 3.96Å; A83-Y95 HydrophobicContact CB-CE1 3.8Å; A83-W127 HydrophobicContact CB-CD2 3.5Å; A83-W127 HydrophobicContact CB-CE3 3.71Å; A83-W127 HydrophobicContact CB-CG 4.19Å; A83-W127 HydrophobicContact CB-CH2 3.64Å; A83-W127 HydrophobicContact CB-CZ2 3.42Å; A83-W127 VanDerWaalsContact CB-CZ2 3.42Å; A83-W127 HydrophobicContact CB-CZ3 3.77Å
84S90.9Very high92.4Very high73 Ų7363.5 Ų63.551%0.5137%0.369SS..Hα-helixtrans-67.7-17.9178.8-53.80000113.7N80 L82 L86N80-S84 WeakPolarHBondContact O-CB 3.41Å; N80-S84 PolarHBondContact O-N 2.97Å; N80-S84 PolarHBondContact O-OG 3.3Å; L82-S84 VanDerWaalsContact C-N 3.35Å; L82-S84 PolarHBondContact O-N 2.83Å; S84-L86 VanDerWaalsContact C-N 3.34Å
85R91.6Very high92.2Very high171 Ų17164 Ų6465%0.64537%0.371SS*.THydrogen-bonded Turntrans-83.3-12.8175.2-74.8-179.2-75.4-177-2113N81 L82 A83N81-R85 WeakPolarHBondContact O-CG 3.27Å; N81-R85 PolarHBondContact O-N 2.77Å; N81-R85 PolarHBondContact O-NE 2.94Å; N81-R85 PolarHBondContact OD1-NE 3.42Å; N81-R85 PolarHBondContact OD1-NH2 3.22Å; L82-R85 PolarHBondContact O-N 3.26Å; A83-R85 PolarHBondContact O-N 2.97Å
86L91.3Very high92.1Very high65 Ų6568.9 Ų68.934%0.3439%0.394SS..SBendtrans-78.6152.3176.3-62.3172.5000110.2A83 S84 T90 Y95A83-L86 WeakPolarHBondContact O-CB 3.34Å; A83-L86 PolarHBondContact O-N 3.48Å; A83-L86 VanDerWaalsContact O-N 3.11Å; S84-L86 VanDerWaalsContact C-N 3.34Å; L86-T90 HydrophobicContact CB-CG2 4.45Å; L86-T90 HydrophobicContact CD1-CG2 4.36Å; L86-Y95 HydrophobicContact CB-CE1 4.47Å; L86-Y95 HydrophobicContact CD1-CD1 3.67Å; L86-Y95 HydrophobicContact CD1-CE1 3.72Å; L86-Y95 HydrophobicContact CD1-CG 4.42Å
87P88.6Confident92.1Very high68 Ų6866.5 Ų66.544%0.44239%0.385SS..  trans-56.2146.7177.4-24.833.5000112.8H89 T90P87-H89 VanDerWaalsContact CB-CE1 3.44Å; P87-H89 WeakPolarHBondContact CB-CE1 3.5Å; P87-H89 PolarHBondContact O-N 3.03Å; P87-H89 VanDerWaalsContact O-N 3.09Å; P87-T90 WeakPolarHBondContact CD-OG1 3.39Å; P87-T90 VanDerWaalsContact O-CB 3.22Å; P87-T90 WeakPolarHBondContact O-CB 3.37Å; P87-T90 PolarHBondContact O-N 2.92Å; P87-T90 PolarHBondContact O-OG1 2.75Å
88L80.6Confident91.9Very high184 Ų18466 Ų6696%0.96338%0.376SS*.THydrogen-bonded Turntrans-58.5-26.5179.7-66.1173.1000113.8T90L88-T90 VanDerWaalsContact C-N 3.28Å; L88-T90 PolarHBondContact O-N 2.71Å
89H84.5Confident91.8Very high166 Ų16668 Ų6877%0.76939%0.39SS*.THydrogen-bonded Turntrans-90.114.317864.5-90.5000113.2P87 A91P87-H89 VanDerWaalsContact CB-CE1 3.44Å; P87-H89 WeakPolarHBondContact CB-CE1 3.5Å; P87-H89 PolarHBondContact O-N 3.03Å; P87-H89 VanDerWaalsContact O-N 3.09Å; H89-A91 PolarHBondContact O-N 2.89Å; H89-A91 VanDerWaalsContact O-N 3.14Å
90T90.6Very high91.7Very high30 Ų3070.8 Ų70.818%0.18441%0.409CS..  trans-63.2118.1177.5-60.20000109.4L86 P87 L88 Y95L86-T90 HydrophobicContact CB-CG2 4.45Å; L86-T90 HydrophobicContact CD1-CG2 4.36Å; P87-T90 WeakPolarHBondContact CD-OG1 3.39Å; P87-T90 VanDerWaalsContact O-CB 3.22Å; P87-T90 WeakPolarHBondContact O-CB 3.37Å; P87-T90 PolarHBondContact O-N 2.92Å; P87-T90 PolarHBondContact O-OG1 2.75Å; L88-T90 VanDerWaalsContact C-N 3.28Å; L88-T90 PolarHBondContact O-N 2.71Å; T90-Y95 HydrophobicContact CG2-CD2 3.87Å; T90-Y95 HydrophobicContact CG2-CE2 3.58Å
91A90.1Very high91.6Very high60 Ų6075.6 Ų75.650%0.49643%0.43SS..  trans-62.6156.1175.200000110.8H89 A93 G94H89-A91 PolarHBondContact O-N 2.89Å; H89-A91 VanDerWaalsContact O-N 3.14Å; A91-A93 PolarHBondContact O-N 3.28Å; A91-A93 VanDerWaalsContact O-N 3.09Å; A91-G94 WeakPolarHBondContact O-CA 3.46Å; A91-G94 PolarHBondContact O-N 3.05Å
92P88.4Confident91.5Very high60 Ų6072.2 Ų72.239%0.3942%0.416SS..G310 helixtrans-55.7-35.3-177.8-24.133.6000113.2G94 Y95 F105P92-G94 PolarHBondContact O-N 3.22Å; P92-Y95 PolarHBondContact O-N 3.37Å; P92-F105 HydrophobicContact CB-CD2 3.93Å; P92-F105 HydrophobicContact CB-CE2 4.21Å; P92-F105 HydrophobicContact CB-CG 4.45Å; P92-F105 VanDerWaalsContact O-CD2 3.3Å; P92-F105 WeakPolarHBondContact O-CD2 3.24Å
93A88.1Confident91.4Very high76 Ų7673.1 Ų73.163%0.62843%0.425SS*.G310 helixtrans-67.4-18.6176.800000114.2A91 Y95A91-A93 PolarHBondContact O-N 3.28Å; A91-A93 VanDerWaalsContact O-N 3.09Å; A93-Y95 VanDerWaalsContact C-N 3.32Å
94G91.1Very high91.5Very high38 Ų3873 Ų7339%0.39242%0.424SS..G310 helixtrans-76-18.6176.400000113.5A91 P92 Q96A91-G94 WeakPolarHBondContact O-CA 3.46Å; A91-G94 PolarHBondContact O-N 3.05Å; P92-G94 PolarHBondContact O-N 3.22Å; G94-Q96 PolarHBondContact O-N 2.93Å
95Y94.3Very high91.8Very high12 Ų1270.4 Ų70.45%0.04740%0.404CS..  trans-85.1104.7174.8-63-91.2000109.6A83 L86 T90 P92 A93 V104 F105 W127A83-Y95 HydrophobicContact CB-CD1 3.96Å; A83-Y95 HydrophobicContact CB-CE1 3.8Å; L86-Y95 HydrophobicContact CB-CE1 4.47Å; L86-Y95 HydrophobicContact CD1-CD1 3.67Å; L86-Y95 HydrophobicContact CD1-CE1 3.72Å; L86-Y95 HydrophobicContact CD1-CG 4.42Å; T90-Y95 HydrophobicContact CG2-CD2 3.87Å; T90-Y95 HydrophobicContact CG2-CE2 3.58Å; P92-Y95 PolarHBondContact O-N 3.37Å; A93-Y95 VanDerWaalsContact C-N 3.32Å; Y95-V104 WeakPolarHBondContact O-CB 3.34Å; Y95-V104 WeakPolarHBondContact O-CG2 3.46Å; Y95-V104 PolarHBondContact O-N 3.37Å; Y95-F105 AromaticContact CD2-CE2 3.51Å; Y95-F105 HydrophobicContact CD2-CE2 3.51Å; Y95-F105 HydrophobicContact CD2-CZ 4.23Å; Y95-F105 HydrophobicContact CE2-CE2 4.26Å; Y95-F105 AromaticContact CG-CE2 3.74Å; Y95-F105 HydrophobicContact CG-CE2 3.74Å; Y95-F105 HydrophobicContact CG-CZ 4.46Å; Y95-W127 AromaticContact CD1-CE3 3.65Å; Y95-W127 HydrophobicContact CD1-CE3 3.65Å; Y95-W127 HydrophobicContact CD1-CH2 4.45Å; Y95-W127 AromaticContact CD1-CZ3 3.49Å; Y95-W127 HydrophobicContact CD1-CZ3 3.49Å; Y95-W127 VanDerWaalsContact CD1-CZ3 3.49Å; Y95-W127 HydrophobicContact CE1-CD2 4.13Å; Y95-W127 AromaticContact CE1-CE3 3.3Å; Y95-W127 HydrophobicContact CE1-CE3 3.3Å; Y95-W127 AromaticContact CE1-CZ3 3.7Å; Y95-W127 HydrophobicContact CE1-CZ3 3.7Å; Y95-W127 HydrophobicContact CE2-CE3 4.38Å; Y95-W127 HydrophobicContact CG-CE3 4.33Å; Y95-W127 HydrophobicContact CG-CZ3 4.01Å; Y95-W127 AromaticContact CZ-CE3 3.69Å
96Q95.8Very high91.9Very high103 Ų10362.7 Ų62.748%0.48138%0.376SS..BIsolated β-bridgetrans-117.8149.6-173.4-65.5179.2-9.800112G94 G102G94-Q96 PolarHBondContact O-N 2.93Å; Q96-G102 CarbonylContact C-O 3.54Å; Q96-G102 WeakPolarHBondContact CA-O 3.48Å
97C96.3Very high91.9Very high2 Ų262.5 Ų62.51%0.01438%0.379CS..  trans-63128.5173.7178.30000109.9L68 D72 S99 C100 Q101 G102L68-C97 HydrophobicContact CD1-CB 3.73Å; D72-C97 PolarHBondContact OD2-SG 3.36Å; C97-S99 PolarHBondContact O-N 2.98Å; C97-S99 VanDerWaalsContact O-N 3.16Å; C97-S99 PolarHBondContact SG-N 3.42Å; C97-S99 VanDerWaalsContact SG-N 3.42Å; C97-C100 VanDerWaalsContact SG-SG 3.62Å; C97-Q101 WeakPolarHBondContact O-CA 3.3Å; C97-Q101 PolarHBondContact O-N 3.04Å; C97-G102 PolarHBondContact N-O 2.73Å
98P94.3Very high91.9Very high56 Ų5665 Ų6536%0.36440%0.397SS..THydrogen-bonded Turntrans-60.1-25.7177.5-23.632.4000114.4L55 F74 L82L55-P98 HydrophobicContact CD1-CG 4.3Å; L55-P98 HydrophobicContact CD2-CB 3.95Å; L55-P98 HydrophobicContact CD2-CG 3.67Å; L55-P98 HydrophobicContact CG-CG 4.2Å; F74-P98 HydrophobicContact CE1-CB 4.28Å; F74-P98 HydrophobicContact CE1-CG 4.14Å; F74-P98 HydrophobicContact CZ-CB 4.46Å; F74-P98 HydrophobicContact CZ-CG 4.22Å; L82-P98 HydrophobicContact CD2-CG 3.71Å
99S93.8Very high92.4Very high68 Ų6863 Ų6348%0.47639%0.387SS..THydrogen-bonded Turntrans-92.7-44-173.8-60.50000113.3F74 C97F74-S99 WeakPolarHBondContact CZ-OG 3.38Å; C97-S99 PolarHBondContact O-N 2.98Å; C97-S99 VanDerWaalsContact O-N 3.16Å; C97-S99 PolarHBondContact SG-N 3.42Å; C97-S99 VanDerWaalsContact SG-N 3.42Å
100C93.9Very high92.9Very high63 Ų6358.3 Ų58.343%0.42637%0.368SS..THydrogen-bonded Turntrans-120.31.2-175.563.30000114.4C70 D72 C97 G102C70-C100 VanDerWaalsContact CB-SG 3.51Å; D72-C100 PolarHBondContact OD2-SG 2.97Å; C97-C100 VanDerWaalsContact SG-SG 3.62Å; C100-G102 PolarHBondContact O-N 3.02Å
101Q94.6Very high93Very high148 Ų14861.5 Ų61.569%0.69240%0.397SS*.  trans59.310.7-177.3-56.7171.24.500114.6C97C97-Q101 WeakPolarHBondContact O-CA 3.3Å; C97-Q101 PolarHBondContact O-N 3.04Å
102G93.9Very high93.2Very high17 Ų1759 Ų5918%0.17538%0.377CS..  trans-66.8162.7174.700000112.7Q96 C97 C100 V104Q96-G102 CarbonylContact C-O 3.54Å; Q96-G102 WeakPolarHBondContact CA-O 3.48Å; C97-G102 PolarHBondContact N-O 2.73Å; C100-G102 PolarHBondContact O-N 3.02Å; G102-V104 PolarHBondContact O-N 3.33Å
103P93.9Very high93.6Very high71 Ų7157.6 Ų57.646%0.46137%0.367SS..BIsolated β-bridgetrans-66.6135.6-178.426.9-32.9000111.5I69I69-P103 HydrophobicContact CD1-CG 4.21Å
104V95.7Very high94Very high3 Ų354.2 Ų54.22%0.01834%0.339CS..SBendtrans-72.1-37.4173.5170.80000110.8L68 Y95 G102 L122 W127L68-V104 HydrophobicContact CD1-CG2 4.18Å; L68-V104 HydrophobicContact CD2-CG1 4.09Å; Y95-V104 WeakPolarHBondContact O-CB 3.34Å; Y95-V104 WeakPolarHBondContact O-CG2 3.46Å; Y95-V104 PolarHBondContact O-N 3.37Å; G102-V104 PolarHBondContact O-N 3.33Å; V104-L122 HydrophobicContact CG1-CD2 4.36Å; V104-W127 HydrophobicContact CG1-CH2 4.43Å
105F95.8Very high94.2Very high18 Ų1852.4 Ų52.48%0.07932%0.32CS..SBendtrans-81.1125.8-178.9-66-83.2000111.7P92 Y95 L122 W127 A128 L132P92-F105 HydrophobicContact CB-CD2 3.93Å; P92-F105 HydrophobicContact CB-CE2 4.21Å; P92-F105 HydrophobicContact CB-CG 4.45Å; P92-F105 VanDerWaalsContact O-CD2 3.3Å; P92-F105 WeakPolarHBondContact O-CD2 3.24Å; Y95-F105 AromaticContact CD2-CE2 3.51Å; Y95-F105 HydrophobicContact CD2-CE2 3.51Å; Y95-F105 HydrophobicContact CD2-CZ 4.23Å; Y95-F105 HydrophobicContact CE2-CE2 4.26Å; Y95-F105 AromaticContact CG-CE2 3.74Å; Y95-F105 HydrophobicContact CG-CE2 3.74Å; Y95-F105 HydrophobicContact CG-CZ 4.46Å; F105-L122 HydrophobicContact CD1-CD1 4.01Å; F105-L122 HydrophobicContact CE1-CD1 4.21Å; F105-W127 HydrophobicContact CE2-CZ3 4.32Å; F105-W127 HydrophobicContact CZ-CE3 4.21Å; F105-W127 AromaticContact CZ-CZ3 3.8Å; F105-W127 HydrophobicContact CZ-CZ3 3.8Å; F105-A128 HydrophobicContact CE1-CB 3.89Å; F105-A128 WeakPolarHBondContact CE1-O 3.48Å; F105-A128 HydrophobicContact CZ-CB 4.09Å; F105-L132 HydrophobicContact CD1-CD2 3.84Å; F105-L132 HydrophobicContact CD1-CG 4.07Å; F105-L132 HydrophobicContact CE1-CD2 4.42Å; F105-L132 HydrophobicContact CE1-CG 4.14Å
106P93.7Very high94.3Very high9 Ų955.9 Ų55.96%0.05834%0.34CS..PPolyproline II helixtrans-67.8137.8173.225.8-30.4000110.9I69 A115 L118 R119I69-P106 HydrophobicContact CG2-CB 3.79Å; P106-A115 HydrophobicContact CB-CB 3.86Å; P106-L118 HydrophobicContact CG-CD2 4.36Å; P106-R119 HydrophobicContact CG-CG 3.47Å; P106-R119 VanDerWaalsContact CG-CG 3.47Å
107P92.1Very high94.3Very high61 Ų6153.2 Ų53.240%0.39633%0.33SS..PPolyproline II helixtrans-53.8141.4172.4-2432.3000111.7N109 L110 R119P107-N109 WeakPolarHBondContact CB-OD1 3.48Å; P107-N109 PolarHBondContact O-N 3.33Å; P107-L110 HydrophobicContact CB-CB 4.16Å; P107-L110 HydrophobicContact CG-CB 4.43Å; P107-L110 WeakPolarHBondContact O-CB 3.34Å; P107-L110 PolarHBondContact O-N 3.23Å; P107-R119 PolarHBondContact O-NH2 3.42Å
108S88.1Confident94.3Very high120 Ų12053.2 Ų53.284%0.83933%0.33SS*.THydrogen-bonded Turntrans-62.5-29.7-174.754.90000113.8
109N91.7Very high94.4Very high141 Ų14153 Ų5375%0.75432%0.322SS*.THydrogen-bonded Turntrans-85.1-4.7177.663.7-41.6000114.2P107 A111P107-N109 WeakPolarHBondContact CB-OD1 3.48Å; P107-N109 PolarHBondContact O-N 3.33Å; N109-A111 PolarHBondContact O-N 3.41Å
110L93.8Very high94.4Very high68 Ų6856.3 Ų56.336%0.35633%0.33SS..  trans-79.6105.8-178.5-177.666.4000110.8I69 P107 S112 A115 R119I69-L110 HydrophobicContact CG2-CD2 4.26Å; P107-L110 HydrophobicContact CB-CB 4.16Å; P107-L110 HydrophobicContact CG-CB 4.43Å; P107-L110 WeakPolarHBondContact O-CB 3.34Å; P107-L110 PolarHBondContact O-N 3.23Å; L110-S112 PolarHBondContact O-N 3.42Å; L110-A115 HydrophobicContact CD2-CB 4.06Å; L110-A115 HydrophobicContact CG-CB 4.29Å; L110-R119 PolarHBondContact O-NH1 2.8Å; L110-R119 PolarHBondContact O-NH2 3.32Å
111A92.8Very high94.5Very high97 Ų9756.2 Ų56.280%0.80232%0.323SS*.  trans-91.398172.600000110.6N109N109-A111 PolarHBondContact O-N 3.41Å
112S95.3Very high94.5Very high9 Ų949.2 Ų49.26%0.06329%0.29CS..  trans-144.4138.1177.2165.80000109.3E25 L110 V114 A115 D116E25-S112 VanDerWaalsContact CD-OG 3.27Å; E25-S112 WeakPolarHBondContact OE2-CB 3.32Å; E25-S112 PolarHBondContact OE2-OG 3.16Å; L110-S112 PolarHBondContact O-N 3.42Å; S112-V114 PolarHBondContact O-N 2.73Å; S112-V114 VanDerWaalsContact O-N 3.11Å; S112-V114 PolarHBondContact OG-N 2.71Å; S112-A115 WeakPolarHBondContact O-CA 3.45Å; S112-A115 WeakPolarHBondContact O-CB 3.16Å; S112-A115 PolarHBondContact O-N 3.2Å; S112-D116 VanDerWaalsContact O-CG 3.24Å; S112-D116 PolarHBondContact O-N 3.24Å
113P95.7Very high94.5Very high30 Ų3050 Ų5020%0.19529%0.294CS..Hα-helixtrans-53.9-33.1175.7-24.932.8000113.8E25 H26 V29 V117E25-P113 HydrophobicContact CB-CG 4.42Å; E25-P113 WeakPolarHBondContact OE2-CD 3.26Å; H26-P113 VanDerWaalsContact CE1-CG 3.5Å; H26-P113 WeakPolarHBondContact CE1-CG 3.35Å; V29-P113 HydrophobicContact CG2-CB 4.13Å; P113-V117 PolarHBondContact O-N 2.95Å
114V96.5Very high94.5Very high5 Ų550 Ų503%0.0330%0.295CS..Hα-helixtrans-71.2-43.1177.6177.70000110.1E25 L28 V29 R67 Y71 S112 D116 L118E25-V114 HydrophobicContact CB-CG2 4.18Å; E25-V114 HydrophobicContact CG-CG2 4.4Å; L28-V114 HydrophobicContact CB-CG2 4.24Å; L28-V114 HydrophobicContact CD2-CG2 4.36Å; V29-V114 HydrophobicContact CG2-CB 4.47Å; V29-V114 HydrophobicContact CG2-CG2 3.85Å; R67-V114 HydrophobicContact CG-CG1 4.2Å; Y71-V114 HydrophobicContact CE1-CG2 4.38Å; S112-V114 PolarHBondContact O-N 2.73Å; S112-V114 VanDerWaalsContact O-N 3.11Å; S112-V114 PolarHBondContact OG-N 2.71Å; V114-D116 VanDerWaalsContact C-N 3.33Å; V114-D116 PolarHBondContact O-N 2.73Å; V114-L118 VanDerWaalsContact O-CB 3.27Å; V114-L118 WeakPolarHBondContact O-CB 3.48Å; V114-L118 PolarHBondContact O-N 3.35Å
115A96.6Very high94.3Very high0 Ų050.8 Ų50.80%030%0.3CS..Hα-helixtrans-63.3-39.4176.700000111.7I69 P106 L110 S112 L118 R119I69-A115 HydrophobicContact CG2-CB 4.39Å; P106-A115 HydrophobicContact CB-CB 3.86Å; L110-A115 HydrophobicContact CD2-CB 4.06Å; L110-A115 HydrophobicContact CG-CB 4.29Å; S112-A115 WeakPolarHBondContact O-CA 3.45Å; S112-A115 WeakPolarHBondContact O-CB 3.16Å; S112-A115 PolarHBondContact O-N 3.2Å; A115-L118 PolarHBondContact O-N 3Å; A115-R119 VanDerWaalsContact O-CG 3.32Å; A115-R119 WeakPolarHBondContact O-CG 3.27Å; A115-R119 PolarHBondContact O-N 3.05Å
116D95.9Very high94Very high85 Ų8551.9 Ų51.946%0.45531%0.306SS..Hα-helixtrans-65-48.3-179.4-60.5-27.6000111.6S112 V114 L118 R119 E120S112-D116 VanDerWaalsContact O-CG 3.24Å; S112-D116 PolarHBondContact O-N 3.24Å; V114-D116 VanDerWaalsContact C-N 3.33Å; V114-D116 PolarHBondContact O-N 2.73Å; D116-L118 VanDerWaalsContact C-N 3.31Å; D116-L118 PolarHBondContact O-N 2.66Å; D116-R119 PolarHBondContact O-N 3.29Å; D116-R119 IonicContact OD1-NH1 2.89Å; D116-R119 PolarHBondContact OD1-NH1 3.22Å; D116-E120 PolarHBondContact O-N 2.9Å
117V96Very high93.9Very high47 Ų4753.2 Ų53.229%0.28531%0.31SS..Hα-helixtrans-64.8-36.4175.6171.80000111.9V29 P113 E120 Q121V29-V117 HydrophobicContact CG1-CB 4.37Å; V29-V117 HydrophobicContact CG1-CG2 3.55Å; V29-V117 HydrophobicContact CG2-CG2 4.45Å; P113-V117 PolarHBondContact O-N 2.95Å; V117-E120 PolarHBondContact O-N 3.25Å; V117-Q121 WeakPolarHBondContact O-CG 3.42Å; V117-Q121 PolarHBondContact O-N 2.55Å
118L96.6Very high93.9Very high2 Ų250.3 Ų50.31%0.0129%0.292CS..Hα-helixtrans-65.2-43.5175.7-179.860.8000111.6V66 L68 I69 P106 V114 A115 D116 E120 Q121 L122V66-L118 HydrophobicContact CG2-CD1 3.46Å; V66-L118 VanDerWaalsContact CG2-CD1 3.46Å; L68-L118 HydrophobicContact CD2-CD1 4.02Å; L68-L118 HydrophobicContact CD2-CD2 4.3Å; I69-L118 HydrophobicContact CG2-CD2 3.98Å; P106-L118 HydrophobicContact CG-CD2 4.36Å; V114-L118 VanDerWaalsContact O-CB 3.27Å; V114-L118 WeakPolarHBondContact O-CB 3.48Å; V114-L118 PolarHBondContact O-N 3.35Å; A115-L118 PolarHBondContact O-N 3Å; D116-L118 VanDerWaalsContact C-N 3.31Å; D116-L118 PolarHBondContact O-N 2.66Å; L118-E120 VanDerWaalsContact C-N 3.31Å; L118-E120 PolarHBondContact O-N 3.23Å; L118-Q121 PolarHBondContact O-N 3.26Å; L118-L122 HydrophobicContact CD1-CD1 4.01Å; L118-L122 HydrophobicContact CD1-CG 4.03Å; L118-L122 HydrophobicContact CG-CD1 3.85Å; L118-L122 HydrophobicContact CG-CG 4.3Å; L118-L122 WeakPolarHBondContact O-CB 3.42Å; L118-L122 VanDerWaalsContact O-CG 3.23Å; L118-L122 WeakPolarHBondContact O-CG 3.39Å; L118-L122 PolarHBondContact O-N 3.27Å
119R95.7Very high94.1Very high51 Ų5146.6 Ų46.619%0.19226%0.259CS..Hα-helixtrans-60.8-42.3174.8-72.2179.5-163.8111.9-0.8111.5P106 P107 L110 A115 D116 L122 S123 L132P106-R119 HydrophobicContact CG-CG 3.47Å; P106-R119 VanDerWaalsContact CG-CG 3.47Å; P107-R119 PolarHBondContact O-NH2 3.42Å; L110-R119 PolarHBondContact O-NH1 2.8Å; L110-R119 PolarHBondContact O-NH2 3.32Å; A115-R119 VanDerWaalsContact O-CG 3.32Å; A115-R119 WeakPolarHBondContact O-CG 3.27Å; A115-R119 PolarHBondContact O-N 3.05Å; D116-R119 PolarHBondContact O-N 3.29Å; D116-R119 IonicContact OD1-NH1 2.89Å; D116-R119 PolarHBondContact OD1-NH1 3.22Å; R119-L122 PolarHBondContact O-N 3.03Å; R119-S123 WeakPolarHBondContact O-CB 3.45Å; R119-S123 PolarHBondContact O-N 3.48Å; R119-L132 HydrophobicContact CG-CD2 4.31Å
120E94.9Very high93.7Very high137 Ų13743.1 Ų43.164%0.6425%0.25SC*.Hα-helixtrans-58.7-50.2176.8-174.5178.8-172.300110.9D116 V117 L118 S123D116-E120 PolarHBondContact O-N 2.9Å; V117-E120 PolarHBondContact O-N 3.25Å; L118-E120 VanDerWaalsContact C-N 3.31Å; L118-E120 PolarHBondContact O-N 3.23Å; E120-S123 PolarHBondContact O-N 3.3Å; E120-S123 PolarHBondContact O-OG 3.11Å
121Q95.3Very high93.2Very high62 Ų6240.8 Ų40.829%0.2924%0.242SC..Hα-helixtrans-62.5-46.2176.8-71.3-172.3-3.400112.5V66 W76 V117 L118 S123 S124V66-Q121 VanDerWaalsContact CG2-OE1 3.28Å; W76-Q121 HydrophobicContact CH2-CB 4.41Å; W76-Q121 WeakPolarHBondContact CH2-O 3.31Å; W76-Q121 HydrophobicContact CZ3-CB 4.34Å; V117-Q121 WeakPolarHBondContact O-CG 3.42Å; V117-Q121 PolarHBondContact O-N 2.55Å; L118-Q121 PolarHBondContact O-N 3.26Å; Q121-S123 PolarHBondContact O-N 3.26Å; Q121-S124 WeakPolarHBondContact O-CB 3.33Å; Q121-S124 PolarHBondContact O-N 3.01Å; Q121-S124 VanDerWaalsContact O-N 3.11Å; Q121-S124 PolarHBondContact O-OG 3.01Å
122L95.1Very high92.9Very high0 Ų038.4 Ų38.40%022%0.216CC..Hα-helixtrans-63-30.7178.2-72.1175.8000112.3W76 V104 F105 L118 R119 S124 V125 W127 A128 L132W76-L122 HydrophobicContact CH2-CD2 4.31Å; W76-L122 HydrophobicContact CZ3-CD2 4.24Å; V104-L122 HydrophobicContact CG1-CD2 4.36Å; F105-L122 HydrophobicContact CD1-CD1 4.01Å; F105-L122 HydrophobicContact CE1-CD1 4.21Å; L118-L122 HydrophobicContact CD1-CD1 4.01Å; L118-L122 HydrophobicContact CD1-CG 4.03Å; L118-L122 HydrophobicContact CG-CD1 3.85Å; L118-L122 HydrophobicContact CG-CG 4.3Å; L118-L122 WeakPolarHBondContact O-CB 3.42Å; L118-L122 VanDerWaalsContact O-CG 3.23Å; L118-L122 WeakPolarHBondContact O-CG 3.39Å; L118-L122 PolarHBondContact O-N 3.27Å; R119-L122 PolarHBondContact O-N 3.03Å; L122-S124 PolarHBondContact O-N 3.22Å; L122-S124 VanDerWaalsContact O-N 3.12Å; L122-V125 PolarHBondContact O-N 3.38Å; L122-W127 HydrophobicContact CD2-CH2 3.68Å; L122-W127 HydrophobicContact CD2-CZ2 4.16Å; L122-W127 HydrophobicContact CD2-CZ3 4.41Å; L122-A128 HydrophobicContact CB-CB 3.9Å; L122-A128 HydrophobicContact CD2-CB 3.78Å; L122-A128 HydrophobicContact CG-CB 4.38Å; L122-A128 VanDerWaalsContact O-CB 3.3Å; L122-A128 WeakPolarHBondContact O-CB 3.34Å; L122-L132 HydrophobicContact CB-CD1 3.74Å
123S94Very high92.3Very high35 Ų3541.3 Ų41.325%0.24525%0.247CC..THydrogen-bonded Turntrans-65.2-1517778.80000113.8R119 E120 Q121 R129R119-S123 WeakPolarHBondContact O-CB 3.45Å; R119-S123 PolarHBondContact O-N 3.48Å; E120-S123 PolarHBondContact O-N 3.3Å; E120-S123 PolarHBondContact O-OG 3.11Å; Q121-S123 PolarHBondContact O-N 3.26Å; S123-R129 VanDerWaalsContact O-CD 3.26Å; S123-R129 WeakPolarHBondContact O-CD 3.43Å; S123-R129 VanDerWaalsContact O-CG 3.28Å; S123-R129 WeakPolarHBondContact O-CG 3.24Å; S123-R129 PolarHBondContact O-NH1 2.92Å
124S92.6Very high91.7Very high69 Ų6943.2 Ų43.248%0.48326%0.256SS..THydrogen-bonded Turntrans-79.2-15179.8720000114.6Q121 L122Q121-S124 WeakPolarHBondContact O-CB 3.33Å; Q121-S124 PolarHBondContact O-N 3.01Å; Q121-S124 VanDerWaalsContact O-N 3.11Å; Q121-S124 PolarHBondContact O-OG 3.01Å; L122-S124 PolarHBondContact O-N 3.22Å; L122-S124 VanDerWaalsContact O-N 3.12Å
125V92.3Very high91Very high20 Ų2047.7 Ų47.712%0.12128%0.284CS..SBendtrans-123.5137.1-173.3-69.10000112.5W76 L122 W127 A128 R129W76-V125 HydrophobicContact CH2-CG1 4.35Å; W76-V125 HydrophobicContact CH2-CG2 3.83Å; W76-V125 HydrophobicContact CZ2-CB 4.48Å; W76-V125 HydrophobicContact CZ2-CG1 3.65Å; W76-V125 HydrophobicContact CZ2-CG2 3.99Å; L122-V125 PolarHBondContact O-N 3.38Å; V125-W127 HydrophobicContact CG2-CD2 4.33Å; V125-W127 HydrophobicContact CG2-CG 4.48Å; V125-W127 HydrophobicContact CG2-CZ2 3.99Å; V125-W127 PolarHBondContact O-N 3.41Å; V125-A128 HydrophobicContact CG2-CB 3.67Å; V125-A128 PolarHBondContact O-N 2.91Å; V125-A128 VanDerWaalsContact O-N 3.12Å; V125-R129 WeakPolarHBondContact O-CG 3.42Å; V125-R129 PolarHBondContact O-N 3.43Å
126N90Very high90.2Very high41 Ų4153 Ų5322%0.21931%0.313CS..Hα-helixtrans-60.7-42.2-171-79.5-29.9000114A128 R129 A130 L136 I137 E139N126-A128 PolarHBondContact O-N 2.75Å; N126-R129 PolarHBondContact O-N 3.22Å; N126-A130 PolarHBondContact O-N 2.87Å; N126-L136 HydrophobicContact CB-CD2 4.39Å; N126-I137 PolarHBondContact OD1-N 3.42Å; N126-E139 PolarHBondContact ND2-OE1 2.9Å; N126-E139 VanDerWaalsContact ND2-OE1 3.08Å
127W90.8Very high89.5Confident38 Ų3852.7 Ų52.714%0.14431%0.31CS..Hα-helixtrans-60.1-31.6178.467.9-98.8000112.7N80 A83 Y95 V104 F105 L122 V125N80-W127 PolarHBondContact OD1-NE1 2.99Å; A83-W127 HydrophobicContact CB-CD2 3.5Å; A83-W127 HydrophobicContact CB-CE3 3.71Å; A83-W127 HydrophobicContact CB-CG 4.19Å; A83-W127 HydrophobicContact CB-CH2 3.64Å; A83-W127 HydrophobicContact CB-CZ2 3.42Å; A83-W127 VanDerWaalsContact CB-CZ2 3.42Å; A83-W127 HydrophobicContact CB-CZ3 3.77Å; Y95-W127 AromaticContact CD1-CE3 3.65Å; Y95-W127 HydrophobicContact CD1-CE3 3.65Å; Y95-W127 HydrophobicContact CD1-CH2 4.45Å; Y95-W127 AromaticContact CD1-CZ3 3.49Å; Y95-W127 HydrophobicContact CD1-CZ3 3.49Å; Y95-W127 VanDerWaalsContact CD1-CZ3 3.49Å; Y95-W127 HydrophobicContact CE1-CD2 4.13Å; Y95-W127 AromaticContact CE1-CE3 3.3Å; Y95-W127 HydrophobicContact CE1-CE3 3.3Å; Y95-W127 AromaticContact CE1-CZ3 3.7Å; Y95-W127 HydrophobicContact CE1-CZ3 3.7Å; Y95-W127 HydrophobicContact CE2-CE3 4.38Å; Y95-W127 HydrophobicContact CG-CE3 4.33Å; Y95-W127 HydrophobicContact CG-CZ3 4.01Å; Y95-W127 AromaticContact CZ-CE3 3.69Å; V104-W127 HydrophobicContact CG1-CH2 4.43Å; F105-W127 HydrophobicContact CE2-CZ3 4.32Å; F105-W127 HydrophobicContact CZ-CE3 4.21Å; F105-W127 AromaticContact CZ-CZ3 3.8Å; F105-W127 HydrophobicContact CZ-CZ3 3.8Å; L122-W127 HydrophobicContact CD2-CH2 3.68Å; L122-W127 HydrophobicContact CD2-CZ2 4.16Å; L122-W127 HydrophobicContact CD2-CZ3 4.41Å; V125-W127 HydrophobicContact CG2-CD2 4.33Å; V125-W127 HydrophobicContact CG2-CG 4.48Å; V125-W127 HydrophobicContact CG2-CZ2 3.99Å; V125-W127 PolarHBondContact O-N 3.41Å
128A92.6Very high88.5Confident0 Ų059.2 Ų59.20%034%0.337CS..Hα-helixtrans-90.3-27.7-178.900000113F105 L122 V125 N126 A130 G131 L132F105-A128 HydrophobicContact CE1-CB 3.89Å; F105-A128 WeakPolarHBondContact CE1-O 3.48Å; F105-A128 HydrophobicContact CZ-CB 4.09Å; L122-A128 HydrophobicContact CB-CB 3.9Å; L122-A128 HydrophobicContact CD2-CB 3.78Å; L122-A128 HydrophobicContact CG-CB 4.38Å; L122-A128 VanDerWaalsContact O-CB 3.3Å; L122-A128 WeakPolarHBondContact O-CB 3.34Å; V125-A128 HydrophobicContact CG2-CB 3.67Å; V125-A128 PolarHBondContact O-N 2.91Å; V125-A128 VanDerWaalsContact O-N 3.12Å; N126-A128 PolarHBondContact O-N 2.75Å; A128-A130 VanDerWaalsContact C-N 3.32Å; A128-A130 PolarHBondContact O-N 3.15Å; A128-G131 CarbonylContact O-C 3.55Å; A128-G131 WeakPolarHBondContact O-CA 3.44Å; A128-G131 PolarHBondContact O-N 3.2Å; A128-L132 WeakPolarHBondContact O-CG 3.12Å; A128-L132 PolarHBondContact O-N 3.25Å
129R90.9Very high87Confident42 Ų4265.9 Ų65.916%0.15837%0.368CS..Hα-helixtrans-59.4-42.8175.2-72.4176.674.393.7-4.6112.2S123 V125 N126 G131 L132 G133 L134 P135S123-R129 VanDerWaalsContact O-CD 3.26Å; S123-R129 WeakPolarHBondContact O-CD 3.43Å; S123-R129 VanDerWaalsContact O-CG 3.28Å; S123-R129 WeakPolarHBondContact O-CG 3.24Å; S123-R129 PolarHBondContact O-NH1 2.92Å; V125-R129 WeakPolarHBondContact O-CG 3.42Å; V125-R129 PolarHBondContact O-N 3.43Å; N126-R129 PolarHBondContact O-N 3.22Å; R129-G131 PolarHBondContact O-N 3.44Å; R129-L132 CarbonylContact O-C 3.57Å; R129-L132 PolarHBondContact O-N 3.05Å; R129-L132 VanDerWaalsContact O-N 3.11Å; R129-G133 PolarHBondContact O-N 2.96Å; R129-G133 VanDerWaalsContact O-N 3.11Å; R129-L134 HydrophobicContact CB-CB 4.14Å; R129-L134 HydrophobicContact CG-CB 4.44Å; R129-L134 PolarHBondContact O-N 2.91Å; R129-P135 PolarHBondContact NE-O 2.66Å; R129-P135 PolarHBondContact NH2-O 3.14Å
130A84.3Confident84.8Confident67 Ų6769.3 Ų69.355%0.55440%0.397SS*.Hα-helixtrans-56.7-41.7172.400000111.5N126 A128 L132 G133 L136N126-A130 PolarHBondContact O-N 2.87Å; A128-A130 VanDerWaalsContact C-N 3.32Å; A128-A130 PolarHBondContact O-N 3.15Å; A130-L132 VanDerWaalsContact C-N 3.32Å; A130-L132 PolarHBondContact O-N 3.06Å; A130-G133 PolarHBondContact O-N 3.38Å; A130-L136 HydrophobicContact CB-CD2 4.42Å
131G83.2Confident82.4Confident20 Ų2069.1 Ų69.121%0.20641%0.405CS..Hα-helixtrans-72.2-21.1178.200000115.5A128 R129A128-G131 CarbonylContact O-C 3.55Å; A128-G131 WeakPolarHBondContact O-CA 3.44Å; A128-G131 PolarHBondContact O-N 3.2Å; R129-G131 PolarHBondContact O-N 3.44Å
132L85.8Confident80.1Confident47 Ų4769.2 Ų69.225%0.24642%0.423CS..THydrogen-bonded Turntrans-91.2-2.5173-67.1175.1000113.4F105 R119 L122 A128 R129 A130 L134F105-L132 HydrophobicContact CD1-CD2 3.84Å; F105-L132 HydrophobicContact CD1-CG 4.07Å; F105-L132 HydrophobicContact CE1-CD2 4.42Å; F105-L132 HydrophobicContact CE1-CG 4.14Å; R119-L132 HydrophobicContact CG-CD2 4.31Å; L122-L132 HydrophobicContact CB-CD1 3.74Å; A128-L132 WeakPolarHBondContact O-CG 3.12Å; A128-L132 PolarHBondContact O-N 3.25Å; R129-L132 CarbonylContact O-C 3.57Å; R129-L132 PolarHBondContact O-N 3.05Å; R129-L132 VanDerWaalsContact O-N 3.11Å; A130-L132 VanDerWaalsContact C-N 3.32Å; A130-L132 PolarHBondContact O-N 3.06Å; L132-L134 VanDerWaalsContact C-N 3.28Å; L132-L134 HydrophobicContact CB-CD1 3.97Å; L132-L134 HydrophobicContact CB-CG 4.06Å; L132-L134 HydrophobicContact CD1-CD1 4.07Å
133G82.7Confident77.8Confident70 Ų7075.4 Ų75.472%0.72246%0.461SS*.THydrogen-bonded Turntrans70.123.6-174.500000113.7R129 A130R129-G133 PolarHBondContact O-N 2.96Å; R129-G133 VanDerWaalsContact O-N 3.11Å; A130-G133 PolarHBondContact O-N 3.38Å
134L84.6Confident75.6Confident70 Ų7081.3 Ų81.337%0.36649%0.488SS..PPolyproline II helixtrans-94.2147.6177.6-66.4170.8000110.5R129 L132R129-L134 HydrophobicContact CB-CB 4.14Å; R129-L134 HydrophobicContact CG-CB 4.44Å; R129-L134 PolarHBondContact O-N 2.91Å; L132-L134 VanDerWaalsContact C-N 3.28Å; L132-L134 HydrophobicContact CB-CD1 3.97Å; L132-L134 HydrophobicContact CB-CG 4.06Å; L132-L134 HydrophobicContact CD1-CD1 4.07Å
135P80.1Confident73.1Confident98 Ų9886.3 Ų86.364%0.63650%0.504SS*.PPolyproline II helixtrans-61.2142.3175.626.2-33.6000110.1R129R129-P135 PolarHBondContact NE-O 2.66Å; R129-P135 PolarHBondContact NH2-O 3.14Å
136L81.3Confident70.8Confident113 Ų11394.4 Ų94.459%0.59254%0.541SS*.PPolyproline II helixtrans-61.8146.4176.4-62.8176.7000110.3N126 A130 E138N126-L136 HydrophobicContact CB-CD2 4.39Å; A130-L136 HydrophobicContact CB-CD2 4.42Å; L136-E138 PolarHBondContact O-N 2.93Å
137I80.9Confident68.3Low77 Ų7798 Ų9840%0.39556%0.564SS.*PPolyproline II helixtrans-75.8122.7171.7-57.3171.4000105.6N126 E139N126-I137 PolarHBondContact OD1-N 3.42Å; I137-E139 PolarHBondContact O-N 3.35Å
138E73.8Confident66.3Low184 Ų184102.2 Ų102.286%0.8660%0.595SS**  trans-58.6107.2166.7-73.1169.7-179.900107.2L136 P140L136-E138 PolarHBondContact O-N 2.93Å; E138-P140 WeakPolarHBondContact O-CD 3.43Å
139E66.4Low63.8Low142 Ų142106.8 Ų106.866%0.66463%0.632SS**  trans-62.4124.4170.6-76.6174.9-176.100106.6N126 I137 V141N126-E139 PolarHBondContact ND2-OE1 2.9Å; N126-E139 VanDerWaalsContact ND2-OE1 3.08Å; I137-E139 PolarHBondContact O-N 3.35Å; E139-V141 PolarHBondContact O-N 3.33Å
140P50.2Low61.8Low123 Ų123111.4 Ų111.480%0.79966%0.66SS**  trans-58.9113.2174.123.3-30.5000106.7E138 G142E138-P140 WeakPolarHBondContact O-CD 3.43Å; P140-G142 PolarHBondContact O-N 3.48Å
141V44.4Very low59.9Low133 Ų133114.3 Ų114.381%0.80667%0.671SS**  trans-51.4105.1173.81760000106.7E139 V143E139-V141 PolarHBondContact O-N 3.33Å; V141-V143 PolarHBondContact O-N 3.06Å; V141-V143 VanDerWaalsContact O-N 3.15Å
142G45Very low58.4Low65 Ų65118.4 Ų118.467%0.6770%0.696SS**  trans-59.9116.4167.200000107.3P140P140-G142 PolarHBondContact O-N 3.48Å
143V47.7Very low56.8Low130 Ų130122.3 Ų122.379%0.78872%0.717SS**  trans-64.4137.2169.4175.30000108.3V141V141-V143 PolarHBondContact O-N 3.06Å; V141-V143 VanDerWaalsContact O-N 3.15Å
144L48.1Very low55.2Low158 Ų158130.3 Ų130.383%0.82773%0.727SS**  trans91.7116.2-179.5-53.4171.5000114
145E39.1Very low53.6Low174 Ų174133 Ų13381%0.81375%0.747SS**  cis-132.2131.629.3-73176.9136.600113.1T147E145-T147 PolarHBondContact O-N 3.01Å
146E45.5Very low51.9Low191 Ų191134 Ų13489%0.89375%0.747SS**  trans-57.7102.8148.8-88.2173.6134.400108.1
147T36.4Very low50.7Low115 Ų115140.9 Ų140.971%0.70677%0.765SS**  trans-103.8106.1148.6-540000106.3E145 A149E145-T147 PolarHBondContact O-N 3.01Å; T147-A149 PolarHBondContact O-N 3.45Å
148T48.3Very low49.1Very low128 Ų128141.9 Ų141.979%0.78578%0.779SS**  trans-52.598.5169.848.60000109.9
149A41.8Very low47.5Very low95 Ų95138.9 Ų138.979%0.78577%0.773SS**  trans-95.889.5157.900000107.2T147 V151T147-A149 PolarHBondContact O-N 3.45Å; A149-V151 PolarHBondContact O-N 3.42Å
150D48.1Very low46Very low139 Ų139141.5 Ų141.574%0.74378%0.783SS**  trans-55.7110.7160.8176.120.5000109.7
151V45.6Very low45.6Very low129 Ų129142.7 Ų142.778%0.78278%0.783SS**  trans-143.985.1147.5-174.60000107.6A149 D153A149-V151 PolarHBondContact O-N 3.42Å; V151-D153 PolarHBondContact O-N 2.95Å
152S51.4Low45.3Very low106 Ų106139.2 Ų139.274%0.74177%0.774SS**  trans-61.898.3149.6158.50000109.2
153D51.4Low44.9Very low128 Ų128144.6 Ų144.668%0.68478%0.781SS**  trans-165.793.2143.5-143.21.6000112V151V151-D153 PolarHBondContact O-N 2.95Å
154Y48.8Very low44.5Very low238 Ų238146.6 Ų146.693%0.93378%0.782SS**  trans-157.470.8151.1-132.9-87.3000109
155T50.5Low44Very low128 Ų128149.2 Ų149.279%0.78579%0.787SS**  trans-113.7134.7159.9-32.60000107.3
156D45.1Very low44Very low119 Ų119147 Ų14764%0.63679%0.79SS**  trans103.986.3160.8-151.515.5000117.6
157W55.6Low43.5Very low256 Ų256141.5 Ų141.597%0.9779%0.786SS**  trans-141.168.4140.8-153.6-80.3000110
158S47.6Very low43.5Very low99 Ų99141.9 Ų141.969%0.69279%0.787SS**  trans-154.870.3167.8570000111.9
159T41.5Very low42.9Very low120 Ų120146.2 Ų146.274%0.73679%0.791SS**  trans-158.9102.3149.3-45.70000110.4
160F34.3Very low42.5Very low197 Ų197146.6 Ų146.686%0.86479%0.787SS**  trans-135.695.4149.9-170.4-96.9000107.7
161D42.1Very low41.9Very low149 Ų149144.6 Ų144.680%0.79779%0.785SS**  trans-74.6129.9164.8-96-50.9000109.4
162G37.1Very low41.6Very low60 Ų60147.4 Ų147.462%0.61979%0.789SS**  trans-153.457.9178.600000111.3
163Q37.7Very low41Very low177 Ų177147.6 Ų147.683%0.82779%0.79SS**  trans32110146.1-158.3165.9-40.700120
164E38.1Very low40.3Very low172 Ų172151.9 Ų151.980%0.80480%0.798SS**  trans22.1127.2140.7-62.3-172.5146.500121
165K37.9Very low39.9Very low214 Ų214148.1 Ų148.193%0.9379%0.794SS**  -158.9133.5122-109.7165-171.5173.30113.4
166S39.5Very low39.1Very low126 Ų126148 Ų14888%0.88179%0.794SS**  trans-64151-172.7-36.40000114.9
167G35.3Very low38.8Very low77 Ų77146.7 Ų146.779%0.79479%0.794SS**  trans-17496.7169.200000112.8
168V36.1Very low38.1Very low122 Ų122142 Ų14274%0.73979%0.787SS**  trans-57.6134.5172.8179.90000111.4
169Y35.6Very low38.1Very low220 Ų220142.8 Ų142.886%0.86379%0.793SS**  170.8147.4119.7-102.5-79.7000114.1
170S33.3Very low38.5Very low102 Ų102142.9 Ų142.971%0.71380%0.795SS**  trans-71.5157.5-178.5-69.60000116.5
171S35.4Very low39.3Very low98 Ų98139.7 Ų139.769%0.68579%0.794SS**  trans57.4126.8140.6-55.30000119.9
172H38.3Very low39.1Very low187 Ų187137.5 Ų137.587%0.86680%0.797SS**  -165.9128.2116.9-91.7-63.2000111.6
173S39.8Very low39Very low111 Ų111139.6 Ų139.678%0.77681%0.808SS**  trans-74.2145.7168.149.20000112.5
174Y37.6Very low39.3Very low218 Ų218136.7 Ų136.786%0.85581%0.808SS**  trans-147.6124143.357.3-88.5000110.6
175N39.7Very low39.5Very low158 Ų158133.9 Ų133.985%0.84580%0.804SS**  trans-84144.8154.3-86.8-12.8000107.4
176T34Very low39.9Very low126 Ų126129.9 Ų129.977%0.77380%0.8SS**  trans-167.8139.4131.8-71.50000109.5
177S38.9Very low39.7Very low92 Ų92130.3 Ų130.364%0.64380%0.797SS**  trans-44.9158.7172.343.10000116.3
178L39.8Very low39.6Very low157 Ų157134.9 Ų134.982%0.82280%0.798SS**  176.2128.8112.7-105.593.1000110.3
179S47.5Very low39.5Very low116 Ų116136.4 Ų136.481%0.81180%0.797SS**  trans-70.6157170.7-44.40000112.4
180P51.5Low39.4Very low122 Ų122133 Ų13379%0.79279%0.794SS**  trans-111.8142.8150.54.915.5000112.2
181P50.8Low39.3Very low129 Ų129134.2 Ų134.284%0.83880%0.797SS**  trans-91.3164179.436.4-32.2000113.4
182A37.4Very low39.1Very low103 Ų103133.4 Ų133.485%0.85180%0.804SS**  trans-66.6149.7170.100000112.9
183A35.9Very low38.7Very low105 Ų105128 Ų12887%0.86880%0.799SS**  trans-143.5132.9162.400000110.5
184S42.5Very low38.3Very low116 Ų116129.8 Ų129.881%0.81180%0.799SS**  trans-112.9179.1175.762.50000109.1
185P43.4Very low38.3Very low112 Ų112129 Ų12973%0.72780%0.802SS**  -94175.1-129.241.9-33.4000114.7
186P45.8Very low38Very low130 Ų130130 Ų13084%0.84480%0.799SS**  trans-102.4148163.735.6-25.9000113.4
187T34.5Very low38Very low135 Ų135131.4 Ų131.483%0.82880%0.802SS**  trans-113.5147.7171.76.20000109.4
188Q34.1Very low37.7Very low173 Ų173130.3 Ų130.381%0.80881%0.806SS**  trans138.9151156.8-85.6-168.7-46.400110
189E32.7Very low37.5Very low154 Ų154130.1 Ų130.172%0.7281%0.805SS**  cis-170.8133.5-28.1-136.7178.5146.700104.8
190N33.6Very low36.9Very low148 Ų148129.4 Ų129.479%0.79180%0.796SS**  trans45.2126.4144.6-143.5-0.3000123.2
191V33.1Very low36Very low129 Ų129130.9 Ų130.978%0.78280%0.797SS**  153.4131.3120.2170.60000110.2
192G29.5Very low35.1Very low80 Ų80133.4 Ų133.483%0.82580%0.8SS**  trans-88.2-175.1-164.500000118.8
193G29.6Very low35.4Very low74 Ų74132.7 Ų132.776%0.76379%0.787SS**  trans166.290.9175.200000113.4
194L31.8Very low35.2Very low148 Ų148137.2 Ų137.278%0.77579%0.79SS**  trans26.8122.1140-17070000119.7
195H38Very low34.8Very low201 Ų201139.7 Ų139.793%0.93179%0.788SS**  trans-159.5150134.4-91.4-70.6000111.8
196K32.9Very low34.6Very low179 Ų179140 Ų14078%0.77879%0.793SS**  trans-96.2161-161.9-100.5177.6173.3177.10114.7
197N34Very low34Very low157 Ų157140.3 Ų140.384%0.8479%0.792SS**  trans76.2134.5155.1-68.65.6000118.2
198G32.5Very low34.2Very low69 Ų69139.9 Ų139.971%0.71179%0.789SS**  cis176.7154.9-1.800000112.8
199N35.4Very low34.3Very low153 Ų153138.6 Ų138.682%0.81879%0.788SS**  trans59.7143152.5-94.634.5000121
200T34.8Very low34.5Very low100 Ų100140.6 Ų140.661%0.61380%0.795SS**  cis-171.4135.63.64.70000109.3
201N32.7Very low35.1Very low154 Ų154139.5 Ų139.582%0.82480%0.796SS**  155.2139.6125.1-89.6-29.2000114.4
202M32.6Very low35.3Very low182 Ų182138.2 Ų138.290%0.89780%0.798SS**  trans84.5149.6-174.9-73.5-127.3126.700116.2
203P44.3Very low35.5Very low87 Ų87138.7 Ų138.757%0.56579%0.794SS**  cis-132.7174.30.937.9-19.8000114.1
204E32.2Very low35.7Very low201 Ų201139.9 Ų139.994%0.93979%0.791SS**  trans-128.6119.6161.9-78.1-170.7158.300111.7
205H33.4Very low35.9Very low168 Ų168138.8 Ų138.878%0.77879%0.791SS**  trans-93.9125.8171.5-67.8-88.3000108.8V207H205-V207 PolarHBondContact O-N 2.71Å
206S38.6Very low35.9Very low119 Ų119133.9 Ų133.983%0.83278%0.779SS**  trans-79.3114.817958.90000111.8
207V33.5Very low36.1Very low136 Ų136132.5 Ų132.582%0.82478%0.78SS**PPolyproline II helixtrans-94.3123.7168.6177.90000108.3H205H205-V207 PolarHBondContact O-N 2.71Å
208V39.7Very low36Very low126 Ų126130.4 Ų130.476%0.76477%0.773SS**PPolyproline II helixtrans-100.7123.3172.2-175.40000109.3
209N34.7Very low36.4Very low146 Ų146134 Ų13478%0.78178%0.775SS**PPolyproline II helixtrans-77.5133.2-176.4-158.734.5000110.9
210F37.1Very low36.4Very low196 Ų196132.8 Ų132.886%0.8677%0.773SS**PPolyproline II helixtrans-97.4122173.1-89.4-94.3000110.3
211P47.4Very low36.9Very low125 Ų125135.7 Ų135.781%0.81278%0.783SS**PPolyproline II helixtrans-90.4128.5163.131.1-26.3000110.7
212A36.6Very low37.2Very low101 Ų101136.6 Ų136.684%0.83578%0.782SS**PPolyproline II helixtrans-97.7132.6166.600000109.7
213A33.3Very low37.3Very low90 Ų90134.2 Ų134.274%0.74478%0.778SS**  161.5130.3129.500000113.7
214S35.3Very low36.8Very low100 Ų100134.1 Ų134.170%0.69978%0.784SS**  trans52.7117.5137.963.70000123.5
215T35.5Very low37.1Very low125 Ų125130.2 Ų130.277%0.76778%0.779SS**  56.5126.9128.762.80000122.5
216S38.3Very low37.1Very low98 Ų98127.6 Ų127.669%0.68578%0.78SS**  trans81.9108.3150.1-26.30000118.4
217D36Very low37.2Very low149 Ų149127.8 Ų127.880%0.79778%0.778SS**  148.7107.2121.7-75.8-20.6000114.3
218T33.3Very low37.4Very low113 Ų113132.6 Ų132.669%0.69378%0.782SS**  43.1107.7120.5-48.50000120.9
219I40.3Very low37.5Very low146 Ų146135.2 Ų135.275%0.74978%0.783SS**  trans72.3118.1140.3-57.1168.5000119.3
220T35.9Very low37.7Very low126 Ų126134.4 Ų134.477%0.77378%0.783SS**  -176.3127.211426.90000110.5
221I44.3Very low37.8Very low162 Ų162134.1 Ų134.183%0.83178%0.777SS**  trans-99.4120.7179.8-63170.5000108.2
222H38.2Very low37.5Very low173 Ų173134.2 Ų134.280%0.80177%0.771SS**  trans-136.5111159.1-76.1-80.4000110.8
223T36Very low38Very low131 Ų131136 Ų13680%0.80477%0.771SS**  trans18.9111.5141.6-57.60000118.7
224A33.7Very low38.4Very low85 Ų85140.9 Ų140.970%0.70277%0.771SS**  170.9136.8114.500000113.6
225S38.5Very low38.5Very low119 Ų119142 Ų14283%0.83277%0.769SS**  trans62.1106154.571.50000121.6
226S33.8Very low38.5Very low113 Ų113142.6 Ų142.679%0.7977%0.772SS**  179.6132.2122.4-179.70000110.5R228S226-R228 PolarHBondContact O-N 2.93Å
227P39.7Very low38.7Very low124 Ų124146.7 Ų146.781%0.80578%0.78SS**  trans-84.1105.1-171.633.3-30.5000111.2
228R37.9Very low38.7Very low237 Ų237144.3 Ų144.389%0.89478%0.775SS**  trans-84117.6161.2-106.8-179.3177131.6-0.9108.9S226 V230S226-R228 PolarHBondContact O-N 2.93Å; R228-V230 PolarHBondContact O-N 3.04Å
229K41.2Very low39.4Very low180 Ų180144.5 Ų144.578%0.78378%0.781SS**  trans-59.5107.3164.2-92.3-174.9174-179.10108.8Y231K229-Y231 HydrophobicContact CD-CE2 4.37Å
230V38.6Very low39.5Very low129 Ų129143 Ų14378%0.78278%0.778SS**  trans-78.6116.7161.61760000106.1R228R228-V230 PolarHBondContact O-N 3.04Å
231Y40.9Very low40.1Very low191 Ų191143.3 Ų143.375%0.74978%0.78SS**  trans-85.3111.2163.3-87.4-80.7000107.9K229K229-Y231 HydrophobicContact CD-CE2 4.37Å
232D41.3Very low40.3Very low127 Ų127144.4 Ų144.468%0.67978%0.782SS**  trans-61.8122.5172.5-172.44.4000110.3R234D232-R234 PolarHBondContact O-N 2.94Å
233T47.2Very low41Very low137 Ų137142 Ų14284%0.8477%0.774SS**  trans-87.293.1167.942.60000108.8
234R40.1Very low41.5Very low194 Ų194140.4 Ų140.473%0.73276%0.76SS**  trans-142.3112.1161.6-80-171.364.3151.3-8.8112.2D232D232-R234 PolarHBondContact O-N 2.94Å
235D38.2Very low42.7Very low123 Ų123144.4 Ų144.466%0.65876%0.762SS**  trans56.4122.9140.6-46.4-45.4000119.4
236V35.4Very low43.7Very low138 Ų138144.7 Ų144.784%0.83675%0.754SS**  -174.3130.6111.8163.60000109.4S238V236-S238 PolarHBondContact O-N 3.45Å
237H42.5Very low44.5Very low184 Ų184145 Ų14585%0.85275%0.747SS**  trans-42.5124.7171.2-87.5-92.6000114.2
238S35.8Very low45.3Very low98 Ų98144.7 Ų144.769%0.68574%0.739SS**  trans-140.896.6151.1163.90000108.1V236 V240V236-S238 PolarHBondContact O-N 3.45Å; S238-V240 VanDerWaalsContact C-N 3.3Å; S238-V240 PolarHBondContact O-N 3.2Å
239S47.3Very low46.5Very low118 Ų118140.4 Ų140.483%0.82573%0.727SS**  trans-66.287167.951.90000109.8
240V43.4Very low47.3Very low113 Ų113141.1 Ų141.169%0.68573%0.726SS**  trans-131.7124.4159.4175.70000105.5S238 Q242S238-V240 VanDerWaalsContact C-N 3.3Å; S238-V240 PolarHBondContact O-N 3.2Å; V240-Q242 PolarHBondContact O-N 3.27Å
241T49.2Very low47.9Very low134 Ų134144 Ų14482%0.82272%0.722SS**  trans-60.878.3-178.149.50000111.1I243T241-I243 PolarHBondContact O-N 3.45Å
242Q48.2Very low48.6Very low184 Ų184146.3 Ų146.386%0.8673%0.73SS**  trans-80.796.1163.6-156.3-175.5-27.900105.8V240 D244V240-Q242 PolarHBondContact O-N 3.27Å; Q242-D244 VanDerWaalsContact C-N 3.34Å; Q242-D244 PolarHBondContact O-N 2.97Å
243I53.2Low49.4Very low123 Ų123150.5 Ų150.563%0.63174%0.736SS**  trans-62.8103.6172.2-66161000105.8T241 F245T241-I243 PolarHBondContact O-N 3.45Å; I243-F245 HydrophobicContact CB-CE2 4.33Å; I243-F245 HydrophobicContact CG2-CD2 4.24Å; I243-F245 HydrophobicContact CG2-CE2 4.04Å; I243-F245 HydrophobicContact CG2-CZ 4.34Å; I243-F245 VanDerWaalsContact O-CD2 3.24Å; I243-F245 WeakPolarHBondContact O-CD2 3.48Å; I243-F245 PolarHBondContact O-N 2.84Å
244D45.4Very low49.9Very low97 Ų97148.6 Ų148.652%0.51973%0.726SS.*  trans-66.5100.3175-169-10.2000108.4Q242 D246Q242-D244 VanDerWaalsContact C-N 3.34Å; Q242-D244 PolarHBondContact O-N 2.97Å; D244-D246 PolarHBondContact O-N 2.8Å; D244-D246 VanDerWaalsContact OD1-CB 3.29Å; D244-D246 WeakPolarHBondContact OD1-CB 3.35Å; D244-D246 PolarHBondContact OD1-N 3.29Å
245F58.1Low50.8Low170 Ų170144.1 Ų144.175%0.74673%0.73SS**SBendtrans-73.9-7.7177.7-83.1-86000112.3I243I243-F245 HydrophobicContact CB-CE2 4.33Å; I243-F245 HydrophobicContact CG2-CD2 4.24Å; I243-F245 HydrophobicContact CG2-CE2 4.04Å; I243-F245 HydrophobicContact CG2-CZ 4.34Å; I243-F245 VanDerWaalsContact O-CD2 3.24Å; I243-F245 WeakPolarHBondContact O-CD2 3.48Å; I243-F245 PolarHBondContact O-N 2.84Å
246D59.4Low51.8Low124 Ų124144.3 Ų144.366%0.66373%0.731SS**SBendtrans-84.9-24.8-179.5-144.711.8000111.9D244 D248 K249D244-D246 PolarHBondContact O-N 2.8Å; D244-D246 VanDerWaalsContact OD1-CB 3.29Å; D244-D246 WeakPolarHBondContact OD1-CB 3.35Å; D244-D246 PolarHBondContact OD1-N 3.29Å; D246-D248 PolarHBondContact O-N 3.32Å; D246-K249 PolarHBondContact O-N 3.03Å
247D51.4Low53Low120 Ų120139.4 Ų139.464%0.64271%0.709SS**G310 helixtrans-67.6-16.1174-106.9-15.3000113.7K249D247-K249 VanDerWaalsContact C-N 3.33Å; D247-K249 PolarHBondContact O-N 3.43Å
248D57.5Low54.1Low118 Ų118138.7 Ų138.763%0.63170%0.698SS**G310 helixtrans-85.6-3.9-177.7-124.212.8000113.2D246D246-D248 PolarHBondContact O-N 3.32Å
249K62Low55.3Low147 Ų147139.7 Ų139.764%0.63969%0.691SS**G310 helixtrans-77.6-27.2-179.6-167.7176.9176.2-169.70113.5D246 D247D246-K249 PolarHBondContact O-N 3.03Å; D247-K249 VanDerWaalsContact C-N 3.33Å; D247-K249 PolarHBondContact O-N 3.43Å
250Y57.3Low56Low195 Ų195137.1 Ų137.177%0.76568%0.676SS**THydrogen-bonded Turntrans-122.81.1-177.7-64.2-78.7000114.8R252Y250-R252 PolarHBondContact O-N 2.87Å; Y250-R252 VanDerWaalsContact O-N 3.1Å
251R52.6Low56.9Low188 Ų188140.5 Ų140.571%0.70968%0.677SS**  trans-67.6114.8179.4-157.8172.8-176.2174.84.3110.5R253R251-R253 PolarHBondContact O-N 2.96Å; R251-R253 VanDerWaalsContact O-N 3.14Å
252R55.8Low57.5Low240 Ų240138.3 Ų138.391%0.90666%0.659SS**PPolyproline II helixtrans-53.8121.2170.3-72.2-177.2179.8-170.70.5108.4Y250Y250-R252 PolarHBondContact O-N 2.87Å; Y250-R252 VanDerWaalsContact O-N 3.1Å
253R56.9Low58.3Low216 Ų216136.2 Ų136.282%0.81565%0.653SS**PPolyproline II helixtrans-53.6126.5-174.1-59.2-178.1-177.4-85.7-1.2110.2R251 A255R251-R253 PolarHBondContact O-N 2.96Å; R251-R253 VanDerWaalsContact O-N 3.14Å; R253-A255 PolarHBondContact O-N 2.86Å
254P58.6Low58.4Low96 Ų96138.5 Ų138.562%0.62366%0.659SS**PPolyproline II helixtrans-63.3125.8157.525.4-29.2000107.3L256 G257P254-L256 PolarHBondContact O-N 3.04Å; P254-G257 PolarHBondContact O-N 3.45Å; P254-G257 VanDerWaalsContact O-N 3.09Å
255A57.8Low58.7Low100 Ų100141 Ų14183%0.82667%0.672SS**THydrogen-bonded Turntrans-59-5.1-176.100000114.3R253R253-A255 PolarHBondContact O-N 2.86Å
256L59.9Low58.4Low127 Ų127142.6 Ų142.667%0.66567%0.673SS**THydrogen-bonded Turntrans-97.4-0.1179.5-66.9167.8000114.5P254 W258 F259P254-L256 PolarHBondContact O-N 3.04Å; L256-W258 PolarHBondContact O-N 2.85Å; L256-W258 VanDerWaalsContact O-N 3.16Å; L256-F259 HydrophobicContact CD2-CD2 4.19Å; L256-F259 PolarHBondContact O-N 3.35Å; L256-F259 VanDerWaalsContact O-N 3.11Å
257G61.2Low58.2Low36 Ų36142.7 Ų142.737%0.37168%0.678SS.*Hα-helixtrans-63.2-19.8178.200000114.9P254 R261P254-G257 PolarHBondContact O-N 3.45Å; P254-G257 VanDerWaalsContact O-N 3.09Å; G257-R261 PolarHBondContact O-N 2.83Å
258W64.8Low58.3Low168 Ų168140.4 Ų140.464%0.63668%0.683SS**Hα-helixtrans-66.4-40.3172.5173.156.8000112.2L256 R261 I262L256-W258 PolarHBondContact O-N 2.85Å; L256-W258 VanDerWaalsContact O-N 3.16Å; W258-R261 PolarHBondContact O-N 3.18Å; W258-I262 HydrophobicContact CD2-CD1 3.94Å; W258-I262 HydrophobicContact CG-CD1 4.25Å; W258-I262 HydrophobicContact CH2-CD1 4.39Å; W258-I262 HydrophobicContact CZ2-CD1 3.53Å; W258-I262 PolarHBondContact O-N 3.45Å; W258-I262 VanDerWaalsContact O-N 3.08Å
259F61.6Low57.8Low120 Ų120138 Ų13853%0.52669%0.686SS.*Hα-helixtrans-69.3-37.5178.8-81.2-80.6000112.4L256 R261 I262 L263L256-F259 HydrophobicContact CD2-CD2 4.19Å; L256-F259 PolarHBondContact O-N 3.35Å; L256-F259 VanDerWaalsContact O-N 3.11Å; F259-R261 VanDerWaalsContact C-N 3.32Å; F259-R261 PolarHBondContact O-N 2.9Å; F259-I262 PolarHBondContact O-N 3.01Å; F259-L263 PolarHBondContact O-N 3.48Å
260A62.6Low57.3Low63 Ų63141.5 Ų141.552%0.52170%0.701SS.*Hα-helixtrans-64.2-35.4174.700000112.3K264A260-K264 WeakPolarHBondContact O-CB 3.46Å; A260-K264 PolarHBondContact O-N 3.43Å
261R60.8Low56.8Low185 Ų185139.5 Ų139.570%0.69870%0.697SS**Hα-helixtrans-69.2-37.9173.1-93.3179.3-175.3149.34.4112.7G257 W258 F259 N265G257-R261 PolarHBondContact O-N 2.83Å; W258-R261 PolarHBondContact O-N 3.18Å; F259-R261 VanDerWaalsContact C-N 3.32Å; F259-R261 PolarHBondContact O-N 2.9Å; R261-N265 VanDerWaalsContact O-CB 3.27Å; R261-N265 WeakPolarHBondContact O-CB 3.27Å; R261-N265 PolarHBondContact O-N 3.39Å
262I62.8Low56.9Low88 Ų88136.6 Ų136.645%0.45170%0.7SS.*Hα-helixtrans-67.6-41.2177.2-79.6165.2000111.8W258 F259W258-I262 HydrophobicContact CD2-CD1 3.94Å; W258-I262 HydrophobicContact CG-CD1 4.25Å; W258-I262 HydrophobicContact CH2-CD1 4.39Å; W258-I262 HydrophobicContact CZ2-CD1 3.53Å; W258-I262 PolarHBondContact O-N 3.45Å; W258-I262 VanDerWaalsContact O-N 3.08Å; F259-I262 PolarHBondContact O-N 3.01Å
263L64.8Low56.8Low140 Ų140129.2 Ų129.273%0.73369%0.69SS**Hα-helixtrans-73.7-34.2-179.8-150.276.4000111.9F259F259-L263 PolarHBondContact O-N 3.48Å
264K55Low57.1Low171 Ų171123.2 Ų123.274%0.74367%0.674SS**Hα-helixtrans-82.7-19.5-178.8-162.7163.6178173.90113.9A260 R266A260-K264 WeakPolarHBondContact O-CB 3.46Å; A260-K264 PolarHBondContact O-N 3.43Å; K264-R266 PolarHBondContact O-N 2.99Å
265N52.2Low57.7Low150 Ų150121.7 Ų121.780%0.80267%0.666SS**THydrogen-bonded Turntrans-81.97.9174.4-140.966.2000113.7R261R261-N265 VanDerWaalsContact O-CB 3.27Å; R261-N265 WeakPolarHBondContact O-CB 3.27Å; R261-N265 PolarHBondContact O-N 3.39Å
266R52.1Low58.5Low203 Ų203126.4 Ų126.477%0.76666%0.662SS**THydrogen-bonded Turntrans-107.1-6.8-179.6-166.1168.8155-174.9-7.3114.3K264K264-R266 PolarHBondContact O-N 2.99Å
267T55Low59.4Low126 Ų126128.5 Ų128.577%0.77367%0.666SS**SBendtrans-1185.6-173.2530000116.1
268G53.8Low60.1Low72 Ų72131.4 Ų131.474%0.74267%0.67SS**SBendtrans-144.4109.8177.600000113.5
269G46.8Very low60.9Low68 Ų68129.2 Ų129.270%0.70166%0.661SS**SBendtrans131.394.9163.500000115.3K271G269-K271 PolarHBondContact O-N 2.81Å
270K51.9Low62.2Low219 Ų219127 Ų12795%0.95266%0.658SS**  trans8.390.1157.9-63175.8176.8179.40115.9
271K45.3Very low63.5Low154 Ų154130.3 Ų130.367%0.6766%0.66SS**  trans-79.9136.8161.8-58.5-179-177.8-177.70107.3G269 A273G269-K271 PolarHBondContact O-N 2.81Å; K271-A273 PolarHBondContact O-N 3.12Å
272T56Low64.8Low126 Ų126126.9 Ų126.977%0.77365%0.654SS**  trans-43.6120156.849.40000106.7L274T272-L274 VanDerWaalsContact C-N 3.29Å; T272-L274 PolarHBondContact O-N 3.06Å
273A52.1Low66.2Low85 Ų85129 Ų12970%0.70267%0.665SS**  trans-68.593.2-169.300000108K271 S275K271-A273 PolarHBondContact O-N 3.12Å; A273-S275 PolarHBondContact O-N 3.2Å
274L63.5Low67.5Low90 Ų90127.3 Ų127.347%0.47166%0.656SS.*  trans-50.5120.9159.1-99.995.5000105.7T272 Q278T272-L274 VanDerWaalsContact C-N 3.29Å; T272-L274 PolarHBondContact O-N 3.06Å; L274-Q278 VanDerWaalsContact CA-OE1 3.31Å; L274-Q278 HydrophobicContact CB-CB 4.29Å; L274-Q278 HydrophobicContact CD2-CB 3.74Å; L274-Q278 HydrophobicContact CD2-CG 4.4Å; L274-Q278 HydrophobicContact CG-CB 4.41Å
275S72.3Confident69.3Low65 Ų65122.8 Ų122.846%0.45564%0.64SS.*  trans-49.3142.4-175.21770000108.9A273 K277 Q278 R279A273-S275 PolarHBondContact O-N 3.2Å; S275-K277 CarbonylContact O-C 2.97Å; S275-K277 PolarHBondContact O-N 3.15Å; S275-Q278 VanDerWaalsContact N-OE1 3.13Å; S275-Q278 WeakPolarHBondContact O-CA 3.41Å; S275-Q278 WeakPolarHBondContact O-CB 3.48Å; S275-Q278 PolarHBondContact O-N 3.19Å; S275-R279 PolarHBondContact O-N 3.06Å
276W74.6Confident71.4Confident199 Ų199120.1 Ų120.175%0.75463%0.629SS**Hα-helixtrans-45.7-36.4-179.5-172-90000112.1Q278 R279 V280W276-Q278 PolarHBondContact O-N 3.04Å; W276-R279 PolarHBondContact O-N 3.24Å; W276-V280 WeakPolarHBondContact O-CG2 3.31Å; W276-V280 PolarHBondContact O-N 3.08Å
277K77.8Confident73.4Confident171 Ų171112.6 Ų112.674%0.74361%0.614SS**Hα-helixtrans-56.4-41.5174.2-60.1-172.6178.2-174.90113.4S275 F281S275-K277 CarbonylContact O-C 2.97Å; S275-K277 PolarHBondContact O-N 3.15Å; K277-F281 VanDerWaalsContact O-CB 3.3Å; K277-F281 WeakPolarHBondContact O-CB 3.36Å; K277-F281 PolarHBondContact O-N 2.84Å
278Q76.6Confident75.3Confident96 Ų96109.7 Ų109.745%0.44960%0.596SS.*Hα-helixtrans-74.2-31.2179.4-63.4173.5-48.100112.8L274 S275 W276 M282L274-Q278 VanDerWaalsContact CA-OE1 3.31Å; L274-Q278 HydrophobicContact CB-CB 4.29Å; L274-Q278 HydrophobicContact CD2-CB 3.74Å; L274-Q278 HydrophobicContact CD2-CG 4.4Å; L274-Q278 HydrophobicContact CG-CB 4.41Å; S275-Q278 VanDerWaalsContact N-OE1 3.13Å; S275-Q278 WeakPolarHBondContact O-CA 3.41Å; S275-Q278 WeakPolarHBondContact O-CB 3.48Å; S275-Q278 PolarHBondContact O-N 3.19Å; W276-Q278 PolarHBondContact O-N 3.04Å; Q278-M282 WeakPolarHBondContact O-CB 3.36Å; Q278-M282 WeakPolarHBondContact O-CG 3.46Å; Q278-M282 PolarHBondContact O-N 2.97Å
279R82.3Confident77.3Confident123 Ų123111.1 Ų111.146%0.46459%0.586SS.*Hα-helixtrans-69.7-42.9173.7-65.4-176.8-176.21780.3111.3S275 W276 M282 L283S275-R279 PolarHBondContact O-N 3.06Å; W276-R279 PolarHBondContact O-N 3.24Å; R279-M282 PolarHBondContact O-N 3.12Å; R279-L283 WeakPolarHBondContact O-CG 3.44Å; R279-L283 PolarHBondContact O-N 3.05Å
280V87.6Confident79.6Confident74 Ų74109.7 Ų109.745%0.44857%0.571SS.*Hα-helixtrans-63.6-43.2174.6174.60000110.6W276 M282 L283 L284W276-V280 WeakPolarHBondContact O-CG2 3.31Å; W276-V280 PolarHBondContact O-N 3.08Å; V280-M282 PolarHBondContact O-N 3.43Å; V280-L283 PolarHBondContact O-N 3.31Å; V280-L284 WeakPolarHBondContact O-CB 3.42Å; V280-L284 PolarHBondContact O-N 3.4Å
281F90.5Very high81.6Confident131 Ų131105.3 Ų105.358%0.57555%0.552SS**Hα-helixtrans-61.6-43.8176.8-175.5-99.3000112.8K277 L284 L285K277-F281 VanDerWaalsContact O-CB 3.3Å; K277-F281 WeakPolarHBondContact O-CB 3.36Å; K277-F281 PolarHBondContact O-N 2.84Å; F281-L284 PolarHBondContact O-N 3.27Å; F281-L285 HydrophobicContact CE1-CD1 4.13Å; F281-L285 HydrophobicContact CZ-CD1 4.4Å; F281-L285 WeakPolarHBondContact O-CB 3.29Å; F281-L285 PolarHBondContact O-N 3.48Å
282M88.5Confident84Confident114 Ų114103.7 Ų103.756%0.56255%0.546SS*.Hα-helixtrans-64.1-41.2176.4-83.7-72.4178.300112.6Q278 R279 V280 L285 V286Q278-M282 WeakPolarHBondContact O-CB 3.36Å; Q278-M282 WeakPolarHBondContact O-CG 3.46Å; Q278-M282 PolarHBondContact O-N 2.97Å; R279-M282 PolarHBondContact O-N 3.12Å; V280-M282 PolarHBondContact O-N 3.43Å; M282-L285 PolarHBondContact O-N 2.93Å; M282-V286 WeakPolarHBondContact O-CG2 3.47Å; M282-V286 PolarHBondContact O-N 3.16Å
283L90.6Very high85.8Confident131 Ų131101.3 Ų101.369%0.68653%0.531SS*.Hα-helixtrans-65.6-39.7176.1-73.1174.2000111.9R279 V280 G287R279-L283 WeakPolarHBondContact O-CG 3.44Å; R279-L283 PolarHBondContact O-N 3.05Å; V280-L283 PolarHBondContact O-N 3.31Å; L283-G287 PolarHBondContact O-N 2.94Å
284L93.2Very high87.7Confident106 Ų106101.6 Ų101.656%0.55552%0.52SS*.Hα-helixtrans-61.9-46.8174.3-170.5159.8000110.6V280 F281 V286 G287 V288V280-L284 WeakPolarHBondContact O-CB 3.42Å; V280-L284 PolarHBondContact O-N 3.4Å; F281-L284 PolarHBondContact O-N 3.27Å; L284-V286 PolarHBondContact O-N 3.44Å; L284-G287 PolarHBondContact O-N 3.46Å; L284-V288 HydrophobicContact CD2-CG2 3.73Å; L284-V288 VanDerWaalsContact O-CG2 3.31Å; L284-V288 WeakPolarHBondContact O-CG2 3.29Å; L284-V288 PolarHBondContact O-N 3.06Å
285L93.4Very high89Confident75 Ų75101 Ų10139%0.39352%0.517SS..Hα-helixtrans-62.8-42.6-179.1-172.1141.1000112.2F281 M282 V288 L289F281-L285 HydrophobicContact CE1-CD1 4.13Å; F281-L285 HydrophobicContact CZ-CD1 4.4Å; F281-L285 WeakPolarHBondContact O-CB 3.29Å; F281-L285 PolarHBondContact O-N 3.48Å; M282-L285 PolarHBondContact O-N 2.93Å; L285-V288 PolarHBondContact O-N 3.29Å; L285-L289 HydrophobicContact CD2-CD1 3.61Å; L285-L289 HydrophobicContact CG-CD1 4.44Å; L285-L289 WeakPolarHBondContact O-CG 3.11Å; L285-L289 PolarHBondContact O-N 3.21Å
286V94.9Very high89.8Confident95 Ų95103 Ų10358%0.57652%0.521SS*.Hα-helixtrans-65.8-40.8174.2173.70000111.2M282 L284 L289 G290M282-V286 WeakPolarHBondContact O-CG2 3.47Å; M282-V286 PolarHBondContact O-N 3.16Å; L284-V286 PolarHBondContact O-N 3.44Å; V286-L289 PolarHBondContact O-N 3.05Å; V286-G290 PolarHBondContact O-N 2.86Å
287G95.2Very high90.5Very high44 Ų4497.7 Ų97.745%0.45451%0.507SS..Hα-helixtrans-61.3-43.8175.600000112.6L283 L284 G290 F291L283-G287 PolarHBondContact O-N 2.94Å; L284-G287 PolarHBondContact O-N 3.46Å; G287-G290 PolarHBondContact O-N 3.28Å; G287-F291 WeakPolarHBondContact O-CB 3.17Å; G287-F291 PolarHBondContact O-N 3Å
288V95.4Very high90.8Very high65 Ų6594.9 Ų94.939%0.39450%0.497SS..Hα-helixtrans-64.4-45.6177.1170.20000111.1L284 L285 G290 F291 F292L284-V288 HydrophobicContact CD2-CG2 3.73Å; L284-V288 VanDerWaalsContact O-CG2 3.31Å; L284-V288 WeakPolarHBondContact O-CG2 3.29Å; L284-V288 PolarHBondContact O-N 3.06Å; L285-V288 PolarHBondContact O-N 3.29Å; V288-G290 VanDerWaalsContact C-N 3.35Å; V288-G290 PolarHBondContact O-N 3.23Å; V288-F291 PolarHBondContact O-N 3.28Å; V288-F292 HydrophobicContact CG1-CD2 3.59Å; V288-F292 HydrophobicContact CG1-CE2 3.44Å; V288-F292 VanDerWaalsContact CG1-CE2 3.44Å; V288-F292 WeakPolarHBondContact O-CD2 3.26Å; V288-F292 PolarHBondContact O-N 2.8Å
289L95.1Very high91.2Very high103 Ų10392.4 Ų92.454%0.53949%0.493SS..Hα-helixtrans-59.7-45.1174.8-78.9160.9000111.6L285 V286 F291 F292 T293L285-L289 HydrophobicContact CD2-CD1 3.61Å; L285-L289 HydrophobicContact CG-CD1 4.44Å; L285-L289 WeakPolarHBondContact O-CG 3.11Å; L285-L289 PolarHBondContact O-N 3.21Å; V286-L289 PolarHBondContact O-N 3.05Å; L289-F291 VanDerWaalsContact C-N 3.31Å; L289-F291 PolarHBondContact O-N 3.09Å; L289-F292 PolarHBondContact O-N 3.33Å; L289-T293 VanDerWaalsContact O-CG2 3.26Å; L289-T293 WeakPolarHBondContact O-CG2 3.46Å; L289-T293 PolarHBondContact O-N 3.5Å; L289-T293 PolarHBondContact O-OG1 3.4Å
290G95Very high91.1Very high37 Ų3794.1 Ų94.138%0.38150%0.504SS..Hα-helixtrans-63.3-34.8175.900000113.5V286 G287 V288 T293 L294V286-G290 PolarHBondContact O-N 2.86Å; G287-G290 PolarHBondContact O-N 3.28Å; V288-G290 VanDerWaalsContact C-N 3.35Å; V288-G290 PolarHBondContact O-N 3.23Å; G290-T293 WeakPolarHBondContact CA-OG1 3.41Å; G290-T293 PolarHBondContact O-OG1 3.11Å; G290-L294 WeakPolarHBondContact O-CB 3.4Å; G290-L294 PolarHBondContact O-N 3.16Å
291F94.7Very high90.6Very high127 Ų12795.5 Ų95.556%0.55751%0.508SS*.Hα-helixtrans-69.9-44.4176.4-177.7-107.6000111.8G287 V288 L289 T293 L294 I295G287-F291 WeakPolarHBondContact O-CB 3.17Å; G287-F291 PolarHBondContact O-N 3Å; V288-F291 PolarHBondContact O-N 3.28Å; L289-F291 VanDerWaalsContact C-N 3.31Å; L289-F291 PolarHBondContact O-N 3.09Å; F291-T293 VanDerWaalsContact C-N 3.35Å; F291-T293 PolarHBondContact O-N 3.42Å; F291-L294 PolarHBondContact O-N 3Å; F291-I295 HydrophobicContact CD1-CD1 3.79Å; F291-I295 HydrophobicContact CE1-CD1 3.3Å; F291-I295 HydrophobicContact CE1-CG1 4.25Å; F291-I295 HydrophobicContact CE2-CD1 4.44Å; F291-I295 HydrophobicContact CZ-CD1 3.67Å; F291-I295 HydrophobicContact CZ-CG1 4.29Å; F291-I295 WeakPolarHBondContact O-CG1 3.47Å; F291-I295 PolarHBondContact O-N 3.28Å
292F94.4Very high89.7Confident121 Ų12191 Ų9153%0.53150%0.499SS..Hα-helixtrans-63.8-39.4175.6-81.7-66.8000112.4V288 L289 L294 I295 I296V288-F292 HydrophobicContact CG1-CD2 3.59Å; V288-F292 HydrophobicContact CG1-CE2 3.44Å; V288-F292 VanDerWaalsContact CG1-CE2 3.44Å; V288-F292 WeakPolarHBondContact O-CD2 3.26Å; V288-F292 PolarHBondContact O-N 2.8Å; L289-F292 PolarHBondContact O-N 3.33Å; F292-L294 VanDerWaalsContact C-N 3.34Å; F292-I295 PolarHBondContact O-N 3.23Å; F292-I296 VanDerWaalsContact O-CG1 3.29Å; F292-I296 WeakPolarHBondContact O-CG1 3.25Å; F292-I296 PolarHBondContact O-N 3.14Å
293T93.2Very high88.7Confident75 Ų7595 Ų9546%0.4651%0.508SS..Hα-helixtrans-65.1-39.8175.758.40000111.3L289 G290 F291 I296 I297L289-T293 VanDerWaalsContact O-CG2 3.26Å; L289-T293 WeakPolarHBondContact O-CG2 3.46Å; L289-T293 PolarHBondContact O-N 3.5Å; L289-T293 PolarHBondContact O-OG1 3.4Å; G290-T293 WeakPolarHBondContact CA-OG1 3.41Å; G290-T293 PolarHBondContact O-OG1 3.11Å; F291-T293 VanDerWaalsContact C-N 3.35Å; F291-T293 PolarHBondContact O-N 3.42Å; T293-I296 PolarHBondContact O-N 2.84Å; T293-I297 VanDerWaalsContact O-CG1 3.25Å; T293-I297 WeakPolarHBondContact O-CG1 3.2Å; T293-I297 PolarHBondContact O-N 3.45Å
294L92.3Very high87.3Confident92 Ų9291.9 Ų91.948%0.48250%0.501SS..Hα-helixtrans-62-44.3174-170.4154.8000111.7G290 F291 F292 I296 I297 M298G290-L294 WeakPolarHBondContact O-CB 3.4Å; G290-L294 PolarHBondContact O-N 3.16Å; F291-L294 PolarHBondContact O-N 3Å; F292-L294 VanDerWaalsContact C-N 3.34Å; L294-I296 VanDerWaalsContact C-N 3.32Å; L294-I296 PolarHBondContact O-N 2.78Å; L294-I297 PolarHBondContact O-N 3.34Å; L294-M298 HydrophobicContact CD2-CG 3.73Å; L294-M298 WeakPolarHBondContact O-CB 3.41Å; L294-M298 WeakPolarHBondContact O-CG 3.47Å; L294-M298 PolarHBondContact O-N 2.82Å
295I91.5Very high85.7Confident77 Ų7790.4 Ų90.440%0.39550%0.499SS..Hα-helixtrans-58.3-44.9175.2-72.3174.9000110.8F291 F292 I297 M298 A299F291-I295 HydrophobicContact CD1-CD1 3.79Å; F291-I295 HydrophobicContact CE1-CD1 3.3Å; F291-I295 HydrophobicContact CE1-CG1 4.25Å; F291-I295 HydrophobicContact CE2-CD1 4.44Å; F291-I295 HydrophobicContact CZ-CD1 3.67Å; F291-I295 HydrophobicContact CZ-CG1 4.29Å; F291-I295 WeakPolarHBondContact O-CG1 3.47Å; F291-I295 PolarHBondContact O-N 3.28Å; F292-I295 PolarHBondContact O-N 3.23Å; I295-I297 VanDerWaalsContact C-N 3.32Å; I295-I297 PolarHBondContact O-N 2.95Å; I295-M298 PolarHBondContact O-N 3.1Å; I295-A299 VanDerWaalsContact O-CB 3.26Å; I295-A299 WeakPolarHBondContact O-CB 3.39Å; I295-A299 PolarHBondContact O-N 3.29Å
296I89.2Confident84Confident107 Ų10789.3 Ų89.355%0.54950%0.501SS..Hα-helixtrans-63.4-41.3179.3-68165000110.8F292 T293 L294 A299 K300F292-I296 VanDerWaalsContact O-CG1 3.29Å; F292-I296 WeakPolarHBondContact O-CG1 3.25Å; F292-I296 PolarHBondContact O-N 3.14Å; T293-I296 PolarHBondContact O-N 2.84Å; L294-I296 VanDerWaalsContact C-N 3.32Å; L294-I296 PolarHBondContact O-N 2.78Å; I296-A299 PolarHBondContact O-N 3.38Å; I296-K300 WeakPolarHBondContact O-CB 3.26Å; I296-K300 PolarHBondContact O-N 2.79Å
297I89Confident82.3Confident87 Ų8788.2 Ų88.245%0.44651%0.509SS..Hα-helixtrans-63.2-49.5176-69.6167.1000109.8T293 L294 I295 A299 K300 L301T293-I297 VanDerWaalsContact O-CG1 3.25Å; T293-I297 WeakPolarHBondContact O-CG1 3.2Å; T293-I297 PolarHBondContact O-N 3.45Å; L294-I297 PolarHBondContact O-N 3.34Å; I295-I297 VanDerWaalsContact C-N 3.32Å; I295-I297 PolarHBondContact O-N 2.95Å; I297-A299 VanDerWaalsContact C-N 3.3Å; I297-A299 PolarHBondContact O-N 3.42Å; I297-K300 CarbonylContact O-C 3.6Å; I297-K300 WeakPolarHBondContact O-CB 3.29Å; I297-K300 PolarHBondContact O-N 3.46Å; I297-K300 VanDerWaalsContact O-N 3.09Å; I297-L301 HydrophobicContact CG2-CD1 3.73Å; I297-L301 WeakPolarHBondContact O-CB 3.44Å; I297-L301 WeakPolarHBondContact O-CD1 3.2Å; I297-L301 PolarHBondContact O-N 3.09Å
298M85.2Confident80.5Confident112 Ų11290.5 Ų90.555%0.55252%0.518SS*.Hα-helixtrans-64-34.6178.4-70.6-64.3151.200112.4L294 I295 G302L294-M298 HydrophobicContact CD2-CG 3.73Å; L294-M298 WeakPolarHBondContact O-CB 3.41Å; L294-M298 WeakPolarHBondContact O-CG 3.47Å; L294-M298 PolarHBondContact O-N 2.82Å; I295-M298 PolarHBondContact O-N 3.1Å; M298-G302 WeakPolarHBondContact O-CA 3.5Å; M298-G302 PolarHBondContact O-N 2.93Å
299A83.8Confident78.8Confident44 Ų4490.7 Ų90.736%0.36452%0.517SS..Hα-helixtrans-68.9-33.9173.400000112.3I295 I296 I297 R303I295-A299 VanDerWaalsContact O-CB 3.26Å; I295-A299 WeakPolarHBondContact O-CB 3.39Å; I295-A299 PolarHBondContact O-N 3.29Å; I296-A299 PolarHBondContact O-N 3.38Å; I297-A299 VanDerWaalsContact C-N 3.3Å; I297-A299 PolarHBondContact O-N 3.42Å; A299-R303 WeakPolarHBondContact O-CB 3.4Å; A299-R303 WeakPolarHBondContact O-CG 3.36Å; A299-R303 PolarHBondContact O-N 2.91Å
300K80.4Confident77.2Confident160 Ų16090.4 Ų90.470%0.69652%0.521SS*.Hα-helixtrans-72.9-45.4174.5-89.5-103.2-179165.60112I296 I297 A304I296-K300 WeakPolarHBondContact O-CB 3.26Å; I296-K300 PolarHBondContact O-N 2.79Å; I297-K300 CarbonylContact O-C 3.6Å; I297-K300 WeakPolarHBondContact O-CB 3.29Å; I297-K300 PolarHBondContact O-N 3.46Å; I297-K300 VanDerWaalsContact O-N 3.09Å; K300-A304 WeakPolarHBondContact O-CB 3.38Å; K300-A304 PolarHBondContact O-N 2.92Å
301L76.6Confident75.6Confident102 Ų10295.6 Ų95.653%0.53454%0.54SS..Hα-helixtrans-70.8-40.4179.1-87.871.4000111.3I297 R303 A304 S305I297-L301 HydrophobicContact CG2-CD1 3.73Å; I297-L301 WeakPolarHBondContact O-CB 3.44Å; I297-L301 WeakPolarHBondContact O-CD1 3.2Å; I297-L301 PolarHBondContact O-N 3.09Å; L301-R303 PolarHBondContact O-N 3.35Å; L301-A304 PolarHBondContact O-N 3.18Å; L301-S305 PolarHBondContact O-N 3.06Å; L301-S305 PolarHBondContact O-OG 3.06Å
302G72.6Confident73.9Confident36 Ų3695 Ų9537%0.37154%0.542SS..Hα-helixtrans-65-35.8175.800000113.2M298 S305 A306M298-G302 WeakPolarHBondContact O-CA 3.5Å; M298-G302 PolarHBondContact O-N 2.93Å; G302-S305 WeakPolarHBondContact CA-OG 3.48Å; G302-S305 PolarHBondContact O-OG 3.48Å; G302-A306 WeakPolarHBondContact O-CB 3.46Å; G302-A306 PolarHBondContact O-N 3.2Å; G302-A306 VanDerWaalsContact O-N 3.11Å
303R67.3Low72.4Confident200 Ų20092.2 Ų92.276%0.75553%0.533SS*.Hα-helixtrans-70.5-35.1171-80.4-176.7173.6127.7-3.8112.7A299 L301 G307A299-R303 WeakPolarHBondContact O-CB 3.4Å; A299-R303 WeakPolarHBondContact O-CG 3.36Å; A299-R303 PolarHBondContact O-N 2.91Å; L301-R303 PolarHBondContact O-N 3.35Å; R303-G307 PolarHBondContact O-N 3.11Å
304A61.4Low71.1Confident65 Ų6591.4 Ų91.454%0.53753%0.529SS..Hα-helixtrans-68.5-34.2175.900000112.5K300 L301 S308K300-A304 WeakPolarHBondContact O-CB 3.38Å; K300-A304 PolarHBondContact O-N 2.92Å; L301-A304 PolarHBondContact O-N 3.18Å; A304-S308 PolarHBondContact O-OG 3Å
305S59.5Low69.7Low74 Ų7493.2 Ų93.252%0.51754%0.539SS..Hα-helixtrans-73.8-36.5174.959.70000112.8L301 G302 S308L301-S305 PolarHBondContact O-N 3.06Å; L301-S305 PolarHBondContact O-OG 3.06Å; G302-S305 WeakPolarHBondContact CA-OG 3.48Å; G302-S305 PolarHBondContact O-OG 3.48Å; S305-S308 PolarHBondContact O-OG 2.91Å
306A56.7Low68.4Low52 Ų5295.2 Ų95.243%0.4355%0.55SS..Hα-helixtrans-76-25.8177.900000113.6G302 S308G302-A306 WeakPolarHBondContact O-CB 3.46Å; G302-A306 PolarHBondContact O-N 3.2Å; G302-A306 VanDerWaalsContact O-N 3.11Å; A306-S308 VanDerWaalsContact C-N 3.32Å
307G59.2Low67.2Low73 Ų7393.2 Ų93.275%0.75354%0.54SS*.THydrogen-bonded Turntrans-80.2-9.4176.700000114.8R303R303-G307 PolarHBondContact O-N 3.11Å
308S58.3Low66.3Low91 Ų9194.9 Ų94.964%0.63656%0.556SS**SBendtrans-1156.8179.152.60000113.1A304 S305 A306 P310A304-S308 PolarHBondContact O-OG 3Å; S305-S308 PolarHBondContact O-OG 2.91Å; A306-S308 VanDerWaalsContact C-N 3.32Å; S308-P310 VanDerWaalsContact O-CD 3.29Å; S308-P310 WeakPolarHBondContact O-CD 3.48Å
309D60.4Low65.5Low69 Ų6996.4 Ų96.437%0.36957%0.567SS.*  trans-82.3111.6176.4-169.8-15.1000110.1N311 L312D309-N311 PolarHBondContact O-N 3.06Å; D309-N311 VanDerWaalsContact O-N 3.08Å; D309-N311 VanDerWaalsContact OD1-CB 3.31Å; D309-N311 WeakPolarHBondContact OD1-CB 3.28Å; D309-N311 PolarHBondContact OD1-N 3.45Å; D309-L312 HydrophobicContact CB-CD1 3.97Å; D309-L312 PolarHBondContact O-N 3.08Å; D309-L312 VanDerWaalsContact OD2-CD1 3.28Å; D309-L312 WeakPolarHBondContact OD2-CD1 3.31Å
310P59.8Low64.9Low98 Ų9898 Ų9864%0.63657%0.569SS**THydrogen-bonded Turntrans-63.5-13.2179.926.2-33.8000113.4S308S308-P310 VanDerWaalsContact O-CD 3.29Å; S308-P310 WeakPolarHBondContact O-CD 3.48Å
311N61.6Low64.2Low146 Ų146102 Ų10278%0.78158%0.579SS**THydrogen-bonded Turntrans-84.8-11.5176.5-157.618.8000113.3D309D309-N311 PolarHBondContact O-N 3.06Å; D309-N311 VanDerWaalsContact O-N 3.08Å; D309-N311 VanDerWaalsContact OD1-CB 3.31Å; D309-N311 WeakPolarHBondContact OD1-CB 3.28Å; D309-N311 PolarHBondContact OD1-N 3.45Å
312L60.2Low64Low113 Ų113101.8 Ų101.859%0.59258%0.582SS**SBendtrans-105.84.3176.5-8492.9000113.6D309 P314D309-L312 HydrophobicContact CB-CD1 3.97Å; D309-L312 PolarHBondContact O-N 3.08Å; D309-L312 VanDerWaalsContact OD2-CD1 3.28Å; D309-L312 WeakPolarHBondContact OD2-CD1 3.31Å; L312-P314 VanDerWaalsContact O-CD 3.29Å; L312-P314 WeakPolarHBondContact O-CD 3.29Å
313D62.8Low63.7Low63 Ų63103.5 Ų103.534%0.33760%0.6SS.*  trans-73.1115.9178-168.9-13.3000110.7L315 L316D313-L315 PolarHBondContact O-N 2.96Å; D313-L315 VanDerWaalsContact O-N 3.08Å; D313-L315 WeakPolarHBondContact OD1-CB 3.29Å; D313-L315 PolarHBondContact OD1-N 3.01Å; D313-L316 HydrophobicContact CB-CD1 3.62Å; D313-L316 PolarHBondContact O-N 3.08Å; D313-L316 WeakPolarHBondContact OD2-CD1 3.46Å
314P64.9Low63.4Low59 Ų59104.1 Ų104.138%0.38361%0.608SS.*THydrogen-bonded Turntrans-63.1-14.3178.825.9-34.3000113.5L312 I320L312-P314 VanDerWaalsContact O-CD 3.29Å; L312-P314 WeakPolarHBondContact O-CD 3.29Å; P314-I320 HydrophobicContact CB-CD1 4.22Å; P314-I320 HydrophobicContact CB-CG2 4.04Å
315L63.5Low63.1Low130 Ų130112.3 Ų112.368%0.68164%0.642SS**THydrogen-bonded Turntrans-79.7-22174.7-68.4166.7000113.6D313 V322D313-L315 PolarHBondContact O-N 2.96Å; D313-L315 VanDerWaalsContact O-N 3.08Å; D313-L315 WeakPolarHBondContact OD1-CB 3.29Å; D313-L315 PolarHBondContact OD1-N 3.01Å; L315-V322 HydrophobicContact CD2-CG2 3.6Å
316L63.3Low63.2Low119 Ų119114.2 Ų114.262%0.62365%0.649SS**THydrogen-bonded Turntrans-91.8-8.9177.9-82.2101.1000113.4D313 P318D313-L316 HydrophobicContact CB-CD1 3.62Å; D313-L316 PolarHBondContact O-N 3.08Å; D313-L316 WeakPolarHBondContact OD2-CD1 3.46Å; L316-P318 WeakPolarHBondContact O-CD 3.36Å
317N64.1Low63.6Low65 Ų65117.5 Ų117.535%0.34866%0.66SS.*  trans-87.1112.4176-171.4-22.6000110.3N319 I320N317-N319 PolarHBondContact O-N 3.08Å; N317-N319 WeakPolarHBondContact OD1-CB 3.33Å; N317-N319 PolarHBondContact OD1-N 3.05Å; N317-N319 VanDerWaalsContact OD1-N 3.08Å; N317-I320 HydrophobicContact CB-CB 4.3Å; N317-I320 HydrophobicContact CB-CD1 3.74Å; N317-I320 HydrophobicContact CB-CG1 3.9Å; N317-I320 WeakPolarHBondContact ND2-CD1 3.4Å; N317-I320 PolarHBondContact O-N 3.03Å
318P69.9Low63.8Low121 Ų121119.9 Ų119.979%0.78666%0.655SS**THydrogen-bonded Turntrans-63.5-11.2-177.126.3-34.7000114L316L316-P318 WeakPolarHBondContact O-CD 3.36Å
319N69.8Low64.2Low144 Ų144121.6 Ų121.677%0.7766%0.656SS**THydrogen-bonded Turntrans-93.8-3.9177.3-60.3-58.8000113.9N317N317-N319 PolarHBondContact O-N 3.08Å; N317-N319 WeakPolarHBondContact OD1-CB 3.33Å; N317-N319 PolarHBondContact OD1-N 3.05Å; N317-N319 VanDerWaalsContact OD1-N 3.08Å
320I69.9Low64.4Low79 Ų79124.9 Ų124.941%0.40567%0.674SS.*  trans-108.4119.1-177.3-59179.1000109.7P314 N317P314-I320 HydrophobicContact CB-CD1 4.22Å; P314-I320 HydrophobicContact CB-CG2 4.04Å; N317-I320 HydrophobicContact CB-CB 4.3Å; N317-I320 HydrophobicContact CB-CD1 3.74Å; N317-I320 HydrophobicContact CB-CG1 3.9Å; N317-I320 WeakPolarHBondContact ND2-CD1 3.4Å; N317-I320 PolarHBondContact O-N 3.03Å
321R67.3Low64.7Low244 Ų244126.7 Ų126.792%0.92168%0.677SS**  trans-106.8103.7175.1-65.4-179.1177.7-157.2-0.9109.1
322V71.2Confident64.9Low96 Ų96125.4 Ų125.458%0.58267%0.669SS**  trans-80.9118.7174.6-99.60000110L315L315-V322 HydrophobicContact CD2-CG2 3.6Å
323G67.3Low65.3Low73 Ų73126.3 Ų126.375%0.75368%0.675SS**  trans-73.2128.9176.900000111.5N325G323-N325 PolarHBondContact O-N 3.45Å
324K60.9Low65.5Low212 Ų212131.6 Ų131.692%0.92270%0.703SS**  trans-76.2113.9169.8-107.7175.8173173.80108.4
325N53.9Low65.5Low237 Ų237138.2 Ų138.2100%1.26773%0.732SS**  trans-99.30158.2-73.8-9.1000108.5G323G323-N325 PolarHBondContact O-N 3.45Å

Retrieved 325 of 325 residues in 141.8 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).