G4LZC1_SCHMA Loading...

Isoamyl acetate-hydrolyzing esterase 1 homolog

AlphaFold DB , UniProt , Accession G4LZC1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 236 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M73.1Confident93.9Very high160 Ų16033.4 Ų33.479%0.78817%0.168SC*.  0130.50-155.9170.3-176.200107.2W212 L232M1-W212 HydrophobicContact CB-CZ3 4.48Å; M1-W212 HydrophobicContact CE-CE3 4.12Å; M1-W212 HydrophobicContact CE-CH2 3.21Å; M1-W212 HydrophobicContact CE-CZ2 4.2Å; M1-W212 HydrophobicContact CE-CZ3 3.19Å; M1-W212 HydrophobicContact CG-CH2 3.64Å; M1-W212 HydrophobicContact CG-CZ3 3.49Å; M1-W212 VanDerWaalsContact CG-CZ3 3.49Å; M1-W212 HydrophobicContact SD-CE3 4.31Å; M1-W212 HydrophobicContact SD-CH2 3.84Å; M1-W212 HydrophobicContact SD-CZ3 3.33Å; M1-W212 WeakPolarHBondContact SD-CZ3 3.26Å; M1-L232 HydrophobicContact CE-CD2 3.92Å; M1-L232 HydrophobicContact SD-CD1 4.22Å; M1-L232 HydrophobicContact SD-CD2 3.77Å
2T84.7Confident94.3Very high69 Ų6930.9 Ų30.942%0.42316%0.157SC..  trans-111.6141.3176.532.10000108D67T2-D67 WeakPolarHBondContact CB-OD2 3.23Å; T2-D67 PolarHBondContact OG1-OD1 3.11Å; T2-D67 PolarHBondContact OG1-OD2 3.35Å; T2-D67 VanDerWaalsContact OG1-OD2 3.12Å
3F90.8Very high94.6Very high52 Ų5228.8 Ų28.823%0.22815%0.146CC..  trans-67.6146.7171.1-86.2-111.3000109.2W212 F213F3-W212 HydrophobicContact CD1-CB 4.43Å; F3-W212 AromaticContact CD1-CD1 3.99Å; F3-W212 HydrophobicContact CD1-CD2 4.03Å; F3-W212 AromaticContact CD1-CG 3.91Å; F3-W212 HydrophobicContact CD1-CG 3.91Å; F3-W212 HydrophobicContact CD2-CE3 4.26Å; F3-W212 HydrophobicContact CD2-CZ3 4.45Å; F3-W212 HydrophobicContact CE1-CB 3.35Å; F3-W212 AromaticContact CE1-CD1 3.67Å; F3-W212 AromaticContact CE1-CD2 3.69Å; F3-W212 HydrophobicContact CE1-CD2 3.69Å; F3-W212 HydrophobicContact CE1-CE3 4.19Å; F3-W212 AromaticContact CE1-CG 3.26Å; F3-W212 HydrophobicContact CE1-CG 3.26Å; F3-W212 HydrophobicContact CE2-CB 4.48Å; F3-W212 HydrophobicContact CE2-CD2 4.19Å; F3-W212 AromaticContact CE2-CE3 3.85Å; F3-W212 HydrophobicContact CE2-CE3 3.85Å; F3-W212 HydrophobicContact CE2-CG 4.46Å; F3-W212 HydrophobicContact CE2-CZ3 4.37Å; F3-W212 HydrophobicContact CG-CD2 4.44Å; F3-W212 HydrophobicContact CZ-CB 3.38Å; F3-W212 AromaticContact CZ-CD2 3.78Å; F3-W212 HydrophobicContact CZ-CD2 3.78Å; F3-W212 AromaticContact CZ-CE3 3.81Å; F3-W212 HydrophobicContact CZ-CE3 3.81Å; F3-W212 AromaticContact CZ-CG 3.59Å; F3-W212 HydrophobicContact CZ-CG 3.59Å; F3-F213 AromaticContact CE2-CE2 3.96Å; F3-F213 HydrophobicContact CE2-CE2 3.96Å; F3-F213 HydrophobicContact CZ-CD2 4.25Å; F3-F213 AromaticContact CZ-CE2 3.91Å; F3-F213 HydrophobicContact CZ-CE2 3.91Å
4P94.9Very high94.9Very high14 Ų1426.7 Ų26.79%0.09114%0.135CC..  trans-59.4158.4167.327.3-32.6000109.5K35 I36 D37 D67 K69 L209P4-K35 VanDerWaalsContact CG-O 3.31Å; P4-K35 WeakPolarHBondContact CG-O 3.21Å; P4-I36 HydrophobicContact CB-CD1 4.33Å; P4-I36 HydrophobicContact CB-CG1 4.11Å; P4-I36 HydrophobicContact CG-CB 4.2Å; P4-I36 HydrophobicContact CG-CG1 4.14Å; P4-I36 VanDerWaalsContact O-CG1 3.25Å; P4-I36 WeakPolarHBondContact O-CG1 3.38Å; P4-D37 PolarHBondContact O-N 2.81Å; P4-D67 CarbonylContact C-O 3.58Å; P4-D67 WeakPolarHBondContact CA-O 3.29Å; P4-K69 HydrophobicContact CB-CB 4.37Å; P4-K69 HydrophobicContact CB-CG 3.45Å; P4-K69 VanDerWaalsContact CB-CG 3.45Å; P4-L209 HydrophobicContact CB-CD2 4.48Å; P4-L209 HydrophobicContact CG-CD2 3.89Å
5K97.3Very high95.1Very high68 Ų6830.7 Ų30.730%0.29615%0.153SC..EExtended strand (participates in β ladder)trans-128.2138.3-177.3-63.5170.4-174.3164.20111.4D37 V39 D67 C68 K69 F70K5-D37 CarbonylContact C-O 3.57Å; K5-D37 WeakPolarHBondContact CA-O 3.34Å; K5-D37 HydrophobicContact CG-CB 4.08Å; K5-V39 HydrophobicContact CB-CG2 4.22Å; K5-V39 HydrophobicContact CD-CG2 4.29Å; K5-V39 HydrophobicContact CG-CG2 4.19Å; K5-D67 HydrophobicContact CD-CB 4.3Å; K5-D67 HydrophobicContact CG-CB 4.42Å; K5-D67 PolarHBondContact N-O 3.02Å; K5-D67 IonicContact NZ-OD2 3.58Å; K5-C68 WeakPolarHBondContact O-CA 3.37Å; K5-K69 PolarHBondContact O-N 3.26Å; K5-F70 PolarHBondContact O-N 3.3Å
6A98.3Very high95.3Very high0 Ų032.6 Ų32.60%016%0.16CC..EExtended strand (participates in β ladder)trans-105.3117.6161.300000108.2F8 I36 D37 I38 V39 F70 L202A6-F8 HydrophobicContact CB-CE2 3.77Å; A6-F8 HydrophobicContact CB-CZ 4.27Å; A6-I36 HydrophobicContact CB-CD1 3.82Å; A6-I36 HydrophobicContact CB-CG1 4.34Å; A6-D37 PolarHBondContact N-O 3.27Å; A6-I38 HydrophobicContact CB-CD1 4.01Å; A6-V39 PolarHBondContact O-N 3.12Å; A6-F70 CarbonylContact C-O 3.1Å; A6-F70 WeakPolarHBondContact CA-O 3.1Å; A6-F70 HydrophobicContact CB-CB 4.08Å; A6-L202 HydrophobicContact CB-CD2 4.21Å
7V98.7Very high95.5Very high4 Ų430.6 Ų30.62%0.02415%0.151CC..EExtended strand (participates in β ladder)trans-99.1128.8-176.3178.30000110V39 Y59 L65 F70 F71 T72V7-V39 WeakPolarHBondContact CA-O 3.24Å; V7-V39 HydrophobicContact CG2-CB 4.32Å; V7-Y59 WeakPolarHBondContact CG1-OH 3.29Å; V7-L65 HydrophobicContact CG2-CD2 4.4Å; V7-F70 PolarHBondContact N-O 2.9Å; V7-F71 HydrophobicContact CB-CD2 3.69Å; V7-F71 HydrophobicContact CB-CE2 3.89Å; V7-F71 HydrophobicContact CB-CG 4.2Å; V7-F71 HydrophobicContact CG1-CD2 3.83Å; V7-F71 HydrophobicContact CG1-CE1 4.39Å; V7-F71 HydrophobicContact CG1-CE2 3.47Å; V7-F71 VanDerWaalsContact CG1-CE2 3.47Å; V7-F71 HydrophobicContact CG1-CG 4.43Å; V7-F71 HydrophobicContact CG1-CZ 3.78Å; V7-F71 HydrophobicContact CG2-CD2 4.31Å; V7-F71 HydrophobicContact CG2-CE2 4.48Å; V7-F71 CarbonylContact O-C 3.53Å; V7-F71 WeakPolarHBondContact O-CA 3.35Å; V7-T72 PolarHBondContact O-N 2.93Å
8F98.8Very high95.6Very high0 Ų035.2 Ų35.20%017%0.166CC..EExtended strand (participates in β ladder)trans-115.7103.3176.2-62.7-92.3000109.4A6 T14 W24 L25 L28 I38 V39 R41 T72 L198 L202A6-F8 HydrophobicContact CB-CE2 3.77Å; A6-F8 HydrophobicContact CB-CZ 4.27Å; F8-T14 HydrophobicContact CB-CG2 4.29Å; F8-T14 VanDerWaalsContact O-CG2 3.23Å; F8-T14 WeakPolarHBondContact O-CG2 3.3Å; F8-W24 HydrophobicContact CB-CH2 3.78Å; F8-W24 HydrophobicContact CB-CZ3 4.42Å; F8-W24 AromaticContact CD1-CH2 3.52Å; F8-W24 HydrophobicContact CD1-CH2 3.52Å; F8-W24 AromaticContact CD1-CZ3 3.54Å; F8-W24 HydrophobicContact CD1-CZ3 3.54Å; F8-W24 HydrophobicContact CE1-CH2 4.34Å; F8-W24 AromaticContact CE1-CZ3 3.92Å; F8-W24 HydrophobicContact CE1-CZ3 3.92Å; F8-W24 AromaticContact CG-CH2 3.76Å; F8-W24 HydrophobicContact CG-CH2 3.76Å; F8-W24 AromaticContact CG-CZ3 3.92Å; F8-W24 HydrophobicContact CG-CZ3 3.92Å; F8-L25 HydrophobicContact CB-CD2 3.79Å; F8-L25 HydrophobicContact CD1-CD2 4.43Å; F8-L25 HydrophobicContact CD2-CD2 3.64Å; F8-L25 HydrophobicContact CE2-CD2 4.38Å; F8-L25 HydrophobicContact CG-CD2 3.69Å; F8-L28 HydrophobicContact CE1-CD1 4.12Å; F8-L28 HydrophobicContact CE2-CD1 4.38Å; F8-L28 HydrophobicContact CZ-CD1 3.81Å; F8-I38 HydrophobicContact CD2-CG2 3.98Å; F8-I38 HydrophobicContact CE2-CD1 4.07Å; F8-I38 HydrophobicContact CE2-CG2 3.87Å; F8-V39 PolarHBondContact N-O 3.15Å; F8-R41 PolarHBondContact O-N 3.33Å; F8-T72 WeakPolarHBondContact CA-OG1 3.4Å; F8-T72 HydrophobicContact CD1-CG2 3.82Å; F8-T72 WeakPolarHBondContact CD1-OG1 3.11Å; F8-T72 HydrophobicContact CE1-CG2 3.77Å; F8-L198 HydrophobicContact CD1-CD1 4.5Å; F8-L198 HydrophobicContact CE1-CD1 4.05Å; F8-L202 HydrophobicContact CZ-CD1 4.17Å; F8-L202 HydrophobicContact CZ-CD2 4.48Å
9F98.9Very high95.6Very high0 Ų036.2 Ų36.20%018%0.175CC..EExtended strand (participates in β ladder)trans-101.8133.6-179.1179.4-110.3000110.8R41 Y43 C51 L54 L55 L58 F71 T72 I73 F74 L75 M100F9-R41 WeakPolarHBondContact CA-O 3.39Å; F9-R41 HydrophobicContact CD2-CB 3.97Å; F9-R41 WeakPolarHBondContact CD2-O 3.32Å; F9-Y43 HydrophobicContact CD2-CD2 4.48Å; F9-Y43 AromaticContact CD2-CE2 3.99Å; F9-Y43 HydrophobicContact CD2-CE2 3.99Å; F9-Y43 AromaticContact CE2-CD2 4Å; F9-Y43 HydrophobicContact CE2-CD2 4Å; F9-Y43 AromaticContact CE2-CE2 3.63Å; F9-Y43 HydrophobicContact CE2-CE2 3.63Å; F9-C51 HydrophobicContact CE1-CB 3.74Å; F9-C51 HydrophobicContact CZ-CB 3.6Å; F9-L54 HydrophobicContact CE2-CD2 4.37Å; F9-L55 HydrophobicContact CD1-CD1 4.19Å; F9-L55 HydrophobicContact CD2-CD1 4.36Å; F9-L55 HydrophobicContact CE1-CD1 4.04Å; F9-L55 HydrophobicContact CE2-CD1 4.23Å; F9-L55 HydrophobicContact CG-CD1 4.34Å; F9-L55 HydrophobicContact CZ-CD1 4.06Å; F9-L58 HydrophobicContact CD2-CD1 4.36Å; F9-L58 HydrophobicContact CE2-CD1 3.88Å; F9-F71 HydrophobicContact CB-CE1 3.58Å; F9-F71 HydrophobicContact CB-CZ 3.82Å; F9-F71 HydrophobicContact CG-CE1 4.36Å; F9-F71 HydrophobicContact CG-CZ 4.41Å; F9-T72 PolarHBondContact N-O 3.17Å; F9-I73 HydrophobicContact CD1-CG2 4.43Å; F9-F74 PolarHBondContact O-N 3.03Å; F9-L75 HydrophobicContact CD1-CD1 4.46Å; F9-L75 HydrophobicContact CE1-CD1 4.06Å; F9-M100 HydrophobicContact CE1-SD 4.23Å
10G98.8Very high95.4Very high0 Ų042 Ų420%020%0.201CC..EExtended strand (participates in β ladder)trans179.5-154.9-18000000115.2R41 G42 Y43 F74G10-R41 PolarHBondContact N-O 3.07Å; G10-G42 CarbonylContact O-C 3.46Å; G10-G42 WeakPolarHBondContact O-CA 3.33Å; G10-Y43 PolarHBondContact O-N 3.02Å; G10-F74 WeakPolarHBondContact CA-O 3.42Å
11D98.6Very high94.9Very high0 Ų045.1 Ų45.10%022%0.216CC..SBendtrans-99.9-146-17763.626.8000112.8L13 T14 Q15 G42 Y43 Y46 F74 L75 N78D11-L13 VanDerWaalsContact C-N 3.26Å; D11-L13 PolarHBondContact O-N 3.14Å; D11-L13 WeakPolarHBondContact OD1-CB 3.34Å; D11-L13 WeakPolarHBondContact OD1-CG 3.15Å; D11-L13 PolarHBondContact OD1-N 3.04Å; D11-T14 PolarHBondContact O-N 2.94Å; D11-T14 VanDerWaalsContact O-N 3.17Å; D11-Q15 PolarHBondContact O-N 3.39Å; D11-G42 CarbonylContact O-C 3.23Å; D11-G42 WeakPolarHBondContact O-CA 3.38Å; D11-Y43 CarbonylContact C-O 3.39Å; D11-Y43 VanDerWaalsContact CA-O 3.3Å; D11-Y43 WeakPolarHBondContact CA-O 3.46Å; D11-Y43 PolarHBondContact O-N 3.45Å; D11-Y46 WeakPolarHBondContact CB-O 3.46Å; D11-F74 PolarHBondContact N-O 3.17Å; D11-L75 HydrophobicContact CB-CD2 4.02Å; D11-N78 WeakPolarHBondContact CB-ND2 3.22Å; D11-N78 PolarHBondContact OD2-ND2 3.23Å
12S98.5Very high95.4Very high4 Ų437.7 Ų37.73%0.02818%0.18CC..Hα-helixtrans-61.8-31.4176.549.30000112.8T14 Q15 F16 H185S12-T14 PolarHBondContact O-N 2.96Å; S12-Q15 PolarHBondContact O-N 3.12Å; S12-F16 WeakPolarHBondContact O-CB 3.46Å; S12-F16 WeakPolarHBondContact O-CD2 3.39Å; S12-F16 WeakPolarHBondContact O-CG 3.38Å; S12-F16 PolarHBondContact O-N 3.49Å; S12-H185 VanDerWaalsContact CB-NE2 3.29Å; S12-H185 WeakPolarHBondContact CB-NE2 3.46Å; S12-H185 PolarHBondContact OG-CD2 3.01Å; S12-H185 PolarHBondContact OG-NE2 3.36Å
13L98.5Very high95.8Very high3 Ų334.5 Ų34.52%0.01616%0.161CC..Hα-helixtrans-61.5-32.3176.1-64173.2000111.4D11 W24 F74 A77 P120 L184 F186D11-L13 VanDerWaalsContact C-N 3.26Å; D11-L13 PolarHBondContact O-N 3.14Å; D11-L13 WeakPolarHBondContact OD1-CB 3.34Å; D11-L13 WeakPolarHBondContact OD1-CG 3.15Å; D11-L13 PolarHBondContact OD1-N 3.04Å; L13-W24 PolarHBondContact O-NE1 3.33Å; L13-F74 HydrophobicContact CB-CD1 4.46Å; L13-F74 HydrophobicContact CB-CE1 3.97Å; L13-F74 HydrophobicContact CB-CZ 4.2Å; L13-F74 HydrophobicContact CD1-CE1 4.42Å; L13-F74 HydrophobicContact CD1-CE2 4.04Å; L13-F74 HydrophobicContact CD1-CZ 3.8Å; L13-A77 HydrophobicContact CD1-CB 3.95Å; L13-P120 VanDerWaalsContact CD1-CD 3.49Å; L13-P120 HydrophobicContact CD1-CG 3.83Å; L13-L184 WeakPolarHBondContact CD2-O 3.5Å; L13-F186 HydrophobicContact CB-CE2 4.08Å; L13-F186 HydrophobicContact CD2-CD2 4.06Å; L13-F186 HydrophobicContact CD2-CE2 3.82Å; L13-F186 HydrophobicContact CD2-CZ 4.21Å; L13-F186 HydrophobicContact CG-CE2 4.42Å
14T98.8Very high96.1Very high0 Ų032 Ų320%015%0.15CC..Hα-helixtrans-84.6-40.5172.5-59.10000112F8 D11 S12 F16 G17 W24 L25F8-T14 HydrophobicContact CB-CG2 4.29Å; F8-T14 VanDerWaalsContact O-CG2 3.23Å; F8-T14 WeakPolarHBondContact O-CG2 3.3Å; D11-T14 PolarHBondContact O-N 2.94Å; D11-T14 VanDerWaalsContact O-N 3.17Å; S12-T14 PolarHBondContact O-N 2.96Å; T14-F16 VanDerWaalsContact C-N 3.28Å; T14-F16 PolarHBondContact O-N 3.47Å; T14-G17 PolarHBondContact O-N 3.34Å; T14-W24 HydrophobicContact CG2-CZ2 4.26Å; T14-L25 HydrophobicContact CG2-CD1 4.32Å; T14-L25 WeakPolarHBondContact O-CD1 3.43Å
15Q98.3Very high96.3Very high86 Ų8631.3 Ų31.340%0.40215%0.145SC..Hα-helixtrans-61.4-42.2-177.6-170.5-179.1-58.700110.8D11 S12 G17 S44D11-Q15 PolarHBondContact O-N 3.39Å; S12-Q15 PolarHBondContact O-N 3.12Å; Q15-G17 PolarHBondContact O-N 3.18Å; Q15-S44 VanDerWaalsContact OE1-CB 3.23Å
16F98.4Very high96.3Very high61 Ų6130.2 Ų30.227%0.26815%0.146SC..G310 helixtrans-80.4-0.7178.7-56-23.3000112.9S12 T14 W18 T19 G22 H185S12-F16 WeakPolarHBondContact O-CB 3.46Å; S12-F16 WeakPolarHBondContact O-CD2 3.39Å; S12-F16 WeakPolarHBondContact O-CG 3.38Å; S12-F16 PolarHBondContact O-N 3.49Å; T14-F16 VanDerWaalsContact C-N 3.28Å; T14-F16 PolarHBondContact O-N 3.47Å; F16-W18 PolarHBondContact O-N 2.9Å; F16-T19 HydrophobicContact CB-CG2 4.18Å; F16-T19 HydrophobicContact CD1-CG2 4.26Å; F16-T19 PolarHBondContact O-N 3.03Å; F16-T19 PolarHBondContact O-OG1 3.06Å; F16-G22 CarbonylContact O-C 3.59Å; F16-G22 VanDerWaalsContact O-C 3.23Å; F16-G22 WeakPolarHBondContact O-CA 3.31Å; F16-H185 HydrophobicContact CD2-CB 4.4Å; F16-H185 AromaticContact CD2-CD2 3.58Å; F16-H185 AromaticContact CD2-CG 3.97Å; F16-H185 AromaticContact CE2-CD2 3.61Å; F16-H185 AromaticContact CE2-NE2 3.64Å
17G98.2Very high96.3Very high0 Ų031.8 Ų31.80%015%0.154CC..G310 helixtrans-59.2-15.9174.600000114.4T14 Q15 G22 G23 W24 L25 S26T14-G17 PolarHBondContact O-N 3.34Å; Q15-G17 PolarHBondContact O-N 3.18Å; G17-G22 WeakPolarHBondContact CA-O 3.25Å; G17-G23 CarbonylContact O-C 3.54Å; G17-G23 WeakPolarHBondContact O-CA 3.33Å; G17-W24 PolarHBondContact O-N 3.01Å; G17-L25 WeakPolarHBondContact O-CB 3.4Å; G17-L25 PolarHBondContact O-N 3Å; G17-S26 PolarHBondContact O-N 2.95Å
18W97.2Very high96.3Very high112 Ų11231.6 Ų31.642%0.42415%0.153SC..G310 helixtrans-99.2-10.3174.2-63.6114000114.4F16 L25 A29 I38F16-W18 PolarHBondContact O-N 2.9Å; W18-L25 HydrophobicContact CD2-CB 3.82Å; W18-L25 HydrophobicContact CD2-CD1 4.31Å; W18-L25 HydrophobicContact CE3-CB 4.01Å; W18-L25 HydrophobicContact CG-CB 4.44Å; W18-L25 HydrophobicContact CG-CD1 4.32Å; W18-L25 HydrophobicContact CH2-CB 3.99Å; W18-L25 HydrophobicContact CZ2-CB 3.81Å; W18-L25 HydrophobicContact CZ2-CD1 4.3Å; W18-L25 HydrophobicContact CZ3-CB 4.09Å; W18-A29 HydrophobicContact CH2-CB 3.94Å; W18-A29 HydrophobicContact CZ3-CB 3.94Å; W18-I38 HydrophobicContact CH2-CB 4.31Å; W18-I38 HydrophobicContact CH2-CG2 4.08Å; W18-I38 HydrophobicContact CZ2-CG2 4.25Å
19T96.2Very high96.2Very high54 Ų5433 Ų3333%0.33117%0.165SC..SBendtrans-75167.5179.869.40000110.8F16 G22 G23F16-T19 HydrophobicContact CB-CG2 4.18Å; F16-T19 HydrophobicContact CD1-CG2 4.26Å; F16-T19 PolarHBondContact O-N 3.03Å; F16-T19 PolarHBondContact O-OG1 3.06Å; T19-G22 PolarHBondContact OG1-N 2.66Å; T19-G23 WeakPolarHBondContact O-CA 3.48Å; T19-G23 PolarHBondContact O-N 2.82Å
20H91.2Very high96.1Very high152 Ų15237.3 Ų37.370%0.70420%0.195SC*.THydrogen-bonded Turntrans-61.4-48179.2-177.671.1000111.7
21E85.4Confident96Very high109 Ų10939.6 Ų39.651%0.50921%0.209SC..THydrogen-bonded Turntrans-72.3-43.7178.8-56.984.4179.300111.9G23 S187 R188 S191E21-G23 VanDerWaalsContact C-N 3.35Å; E21-G23 PolarHBondContact O-N 2.68Å; E21-S187 CarbonylContact O-C 3.54Å; E21-R188 WeakPolarHBondContact O-CA 3.15Å; E21-R188 PolarHBondContact O-N 3.02Å; E21-S191 PolarHBondContact O-OG 2.95Å
22G82.1Confident95.8Very high4 Ų440 Ų404%0.04121%0.21CC..THydrogen-bonded Turntrans-84.8-3.2-174.300000114.8F16 G17 T19 W24 S191F16-G22 CarbonylContact O-C 3.59Å; F16-G22 VanDerWaalsContact O-C 3.23Å; F16-G22 WeakPolarHBondContact O-CA 3.31Å; G17-G22 WeakPolarHBondContact CA-O 3.25Å; T19-G22 PolarHBondContact OG1-N 2.66Å; G22-W24 VanDerWaalsContact C-N 3.25Å; G22-W24 PolarHBondContact O-N 3.44Å; G22-S191 VanDerWaalsContact CA-OG 3.26Å; G22-S191 WeakPolarHBondContact CA-OG 3.5Å; G22-S191 WeakPolarHBondContact O-CB 3.48Å; G22-S191 PolarHBondContact O-OG 3.2Å
23G93.5Very high95.6Very high1 Ų143.5 Ų43.51%0.0123%0.232CC..  trans-4625.4-162.300000123.2G17 T19 E21 L25 S26 I27G17-G23 CarbonylContact O-C 3.54Å; G17-G23 WeakPolarHBondContact O-CA 3.33Å; T19-G23 WeakPolarHBondContact O-CA 3.48Å; T19-G23 PolarHBondContact O-N 2.82Å; E21-G23 VanDerWaalsContact C-N 3.35Å; E21-G23 PolarHBondContact O-N 2.68Å; G23-L25 PolarHBondContact O-N 3.29Å; G23-S26 WeakPolarHBondContact O-CB 3.49Å; G23-S26 PolarHBondContact O-N 3.24Å; G23-S26 VanDerWaalsContact O-N 3.12Å; G23-I27 WeakPolarHBondContact O-CG1 3.39Å; G23-I27 PolarHBondContact O-N 2.75Å
24W98.5Very high95.4Very high0 Ų047.1 Ų47.10%025%0.245CC..Hα-helixtrans-64-36.2-177.867.8-99.5000113F8 L13 T14 G17 G22 S26 I27 L28 S191 L194 A195 L198F8-W24 HydrophobicContact CB-CH2 3.78Å; F8-W24 HydrophobicContact CB-CZ3 4.42Å; F8-W24 AromaticContact CD1-CH2 3.52Å; F8-W24 HydrophobicContact CD1-CH2 3.52Å; F8-W24 AromaticContact CD1-CZ3 3.54Å; F8-W24 HydrophobicContact CD1-CZ3 3.54Å; F8-W24 HydrophobicContact CE1-CH2 4.34Å; F8-W24 AromaticContact CE1-CZ3 3.92Å; F8-W24 HydrophobicContact CE1-CZ3 3.92Å; F8-W24 AromaticContact CG-CH2 3.76Å; F8-W24 HydrophobicContact CG-CH2 3.76Å; F8-W24 AromaticContact CG-CZ3 3.92Å; F8-W24 HydrophobicContact CG-CZ3 3.92Å; L13-W24 PolarHBondContact O-NE1 3.33Å; T14-W24 HydrophobicContact CG2-CZ2 4.26Å; G17-W24 PolarHBondContact O-N 3.01Å; G22-W24 VanDerWaalsContact C-N 3.25Å; G22-W24 PolarHBondContact O-N 3.44Å; W24-S26 VanDerWaalsContact C-N 3.3Å; W24-S26 PolarHBondContact O-N 3.17Å; W24-I27 PolarHBondContact O-N 3.36Å; W24-L28 HydrophobicContact CE3-CD1 3.78Å; W24-L28 HydrophobicContact CZ3-CD1 3.8Å; W24-L28 WeakPolarHBondContact O-CG 3.24Å; W24-L28 PolarHBondContact O-N 3.21Å; W24-S191 WeakPolarHBondContact CB-O 3.45Å; W24-L194 HydrophobicContact CD2-CD2 3.92Å; W24-L194 HydrophobicContact CE3-CD2 4.46Å; W24-L194 HydrophobicContact CG-CD2 3.93Å; W24-L194 HydrophobicContact CG-CG 4.5Å; W24-A195 HydrophobicContact CB-CB 4.25Å; W24-L198 HydrophobicContact CE3-CD1 3.68Å; W24-L198 HydrophobicContact CH2-CD1 4.22Å; W24-L198 HydrophobicContact CZ3-CD1 3.44Å; W24-L198 VanDerWaalsContact CZ3-CD1 3.44Å
25L98.6Very high95.1Very high0 Ų050.3 Ų50.30%026%0.259CS..Hα-helixtrans-66.1-37.3173.2-70.9166.9000110.9F8 T14 G17 W18 G23 I27 L28 A29 I38F8-L25 HydrophobicContact CB-CD2 3.79Å; F8-L25 HydrophobicContact CD1-CD2 4.43Å; F8-L25 HydrophobicContact CD2-CD2 3.64Å; F8-L25 HydrophobicContact CE2-CD2 4.38Å; F8-L25 HydrophobicContact CG-CD2 3.69Å; T14-L25 HydrophobicContact CG2-CD1 4.32Å; T14-L25 WeakPolarHBondContact O-CD1 3.43Å; G17-L25 WeakPolarHBondContact O-CB 3.4Å; G17-L25 PolarHBondContact O-N 3Å; W18-L25 HydrophobicContact CD2-CB 3.82Å; W18-L25 HydrophobicContact CD2-CD1 4.31Å; W18-L25 HydrophobicContact CE3-CB 4.01Å; W18-L25 HydrophobicContact CG-CB 4.44Å; W18-L25 HydrophobicContact CG-CD1 4.32Å; W18-L25 HydrophobicContact CH2-CB 3.99Å; W18-L25 HydrophobicContact CZ2-CB 3.81Å; W18-L25 HydrophobicContact CZ2-CD1 4.3Å; W18-L25 HydrophobicContact CZ3-CB 4.09Å; G23-L25 PolarHBondContact O-N 3.29Å; L25-I27 VanDerWaalsContact C-N 3.34Å; L25-L28 PolarHBondContact O-N 3.04Å; L25-A29 VanDerWaalsContact O-CB 3.32Å; L25-A29 WeakPolarHBondContact O-CB 3.31Å; L25-A29 PolarHBondContact O-N 3.35Å; L25-I38 HydrophobicContact CB-CG2 4.37Å; L25-I38 HydrophobicContact CD2-CG2 3.69Å
26S97.7Very high95Very high44 Ų4446.5 Ų46.531%0.30824%0.241SC..Hα-helixtrans-64.9-39.9176.3-51.80000111.7G17 G23 W24 A29 S30G17-S26 PolarHBondContact O-N 2.95Å; G23-S26 WeakPolarHBondContact O-CB 3.49Å; G23-S26 PolarHBondContact O-N 3.24Å; G23-S26 VanDerWaalsContact O-N 3.12Å; W24-S26 VanDerWaalsContact C-N 3.3Å; W24-S26 PolarHBondContact O-N 3.17Å; S26-A29 PolarHBondContact O-N 3.14Å; S26-S30 WeakPolarHBondContact O-CB 3.33Å; S26-S30 PolarHBondContact O-N 2.93Å
27I97.8Very high95Very high33 Ų3347.2 Ų47.217%0.16925%0.248CC..Hα-helixtrans-61.9-51.6175.3-65.3165.2000109.5G23 W24 L25 A29 S30 T31 E192 A195G23-I27 WeakPolarHBondContact O-CG1 3.39Å; G23-I27 PolarHBondContact O-N 2.75Å; W24-I27 PolarHBondContact O-N 3.36Å; L25-I27 VanDerWaalsContact C-N 3.34Å; I27-A29 VanDerWaalsContact C-N 3.33Å; I27-A29 PolarHBondContact O-N 3.26Å; I27-S30 WeakPolarHBondContact O-CB 3.39Å; I27-S30 PolarHBondContact O-N 3.31Å; I27-S30 VanDerWaalsContact O-N 3.15Å; I27-T31 PolarHBondContact O-N 3.11Å; I27-T31 PolarHBondContact O-OG1 2.91Å; I27-E192 HydrophobicContact CD1-CB 4.43Å; I27-E192 HydrophobicContact CD1-CG 3.66Å; I27-A195 HydrophobicContact CB-CB 3.84Å; I27-A195 HydrophobicContact CD1-CB 4.1Å; I27-A195 HydrophobicContact CG2-CB 3.59Å
28L97.9Very high95Very high0 Ų048 Ų480%025%0.252CS..Hα-helixtrans-58.6-43.9177.3-67.4179.7000112.1F8 W24 L25 S30 T31 F32 I38 A195 L198 E199 L202F8-L28 HydrophobicContact CE1-CD1 4.12Å; F8-L28 HydrophobicContact CE2-CD1 4.38Å; F8-L28 HydrophobicContact CZ-CD1 3.81Å; W24-L28 HydrophobicContact CE3-CD1 3.78Å; W24-L28 HydrophobicContact CZ3-CD1 3.8Å; W24-L28 WeakPolarHBondContact O-CG 3.24Å; W24-L28 PolarHBondContact O-N 3.21Å; L25-L28 PolarHBondContact O-N 3.04Å; L28-S30 VanDerWaalsContact C-N 3.26Å; L28-S30 PolarHBondContact O-N 2.82Å; L28-T31 PolarHBondContact O-N 3.25Å; L28-T31 VanDerWaalsContact O-N 3.14Å; L28-F32 HydrophobicContact CD2-CE2 4.2Å; L28-F32 WeakPolarHBondContact O-CD2 3.31Å; L28-F32 PolarHBondContact O-N 3.45Å; L28-I38 HydrophobicContact CB-CD1 4.3Å; L28-I38 HydrophobicContact CB-CG1 4.15Å; L28-I38 HydrophobicContact CB-CG2 4.44Å; L28-A195 HydrophobicContact CD2-CB 4.49Å; L28-A195 WeakPolarHBondContact CD2-O 3.46Å; L28-L198 HydrophobicContact CD1-CB 3.85Å; L28-L198 HydrophobicContact CD1-CD1 3.94Å; L28-L198 HydrophobicContact CD2-CB 4.08Å; L28-E199 HydrophobicContact CD2-CB 4.22Å; L28-L202 HydrophobicContact CD1-CD1 4.41Å; L28-L202 HydrophobicContact CD2-CD1 4.3Å
29A97.5Very high95Very high31 Ų3143.9 Ų43.926%0.25624%0.239SC..Hα-helixtrans-61.2-37.217900000112W18 L25 S26 I27 V33 I38W18-A29 HydrophobicContact CH2-CB 3.94Å; W18-A29 HydrophobicContact CZ3-CB 3.94Å; L25-A29 VanDerWaalsContact O-CB 3.32Å; L25-A29 WeakPolarHBondContact O-CB 3.31Å; L25-A29 PolarHBondContact O-N 3.35Å; S26-A29 PolarHBondContact O-N 3.14Å; I27-A29 VanDerWaalsContact C-N 3.33Å; I27-A29 PolarHBondContact O-N 3.26Å; A29-V33 PolarHBondContact O-N 3.02Å; A29-I38 HydrophobicContact CB-CB 3.99Å; A29-I38 HydrophobicContact CB-CG1 4.04Å
30S96.8Very high95.1Very high89 Ų8941.9 Ų41.962%0.62223%0.23SC*.Hα-helixtrans-68.5-42.6174-171.90000112S26 I27 L28 V33S26-S30 WeakPolarHBondContact O-CB 3.33Å; S26-S30 PolarHBondContact O-N 2.93Å; I27-S30 WeakPolarHBondContact O-CB 3.39Å; I27-S30 PolarHBondContact O-N 3.31Å; I27-S30 VanDerWaalsContact O-N 3.15Å; L28-S30 VanDerWaalsContact C-N 3.26Å; L28-S30 PolarHBondContact O-N 2.82Å; S30-V33 WeakPolarHBondContact O-CG1 3.13Å
31T95.7Very high95.5Very high49 Ų4939.5 Ų39.530%0.30121%0.214SC..Hα-helixtrans-64.5-41.4179.9-61.70000111.9I27 L28 E199I27-T31 PolarHBondContact O-N 3.11Å; I27-T31 PolarHBondContact O-OG1 2.91Å; L28-T31 PolarHBondContact O-N 3.25Å; L28-T31 VanDerWaalsContact O-N 3.14Å; T31-E199 HydrophobicContact CG2-CG 3.97Å
32F95.7Very high96.1Very high7 Ų735 Ų353%0.03120%0.197CC..THydrogen-bonded Turntrans-98.717.7-174.7-70.6-80.4000113.9L28 R34 K35 I36 E199 L202 M203L28-F32 HydrophobicContact CD2-CE2 4.2Å; L28-F32 WeakPolarHBondContact O-CD2 3.31Å; L28-F32 PolarHBondContact O-N 3.45Å; F32-R34 PolarHBondContact O-N 3.28Å; F32-K35 WeakPolarHBondContact O-CB 3.32Å; F32-K35 PolarHBondContact O-N 3.14Å; F32-I36 HydrophobicContact CB-CG2 3.68Å; F32-I36 HydrophobicContact CD1-CG2 4.08Å; F32-I36 HydrophobicContact CG-CG2 4.05Å; F32-I36 PolarHBondContact O-N 2.6Å; F32-E199 HydrophobicContact CE2-CB 4.46Å; F32-E199 HydrophobicContact CE2-CG 4.28Å; F32-E199 HydrophobicContact CZ-CG 4.31Å; F32-L202 HydrophobicContact CD2-CD1 3.94Å; F32-L202 HydrophobicContact CE1-CB 4.05Å; F32-L202 HydrophobicContact CE2-CB 3.93Å; F32-L202 HydrophobicContact CE2-CD1 3.5Å; F32-L202 HydrophobicContact CE2-CG 4.41Å; F32-L202 HydrophobicContact CZ-CB 3.46Å; F32-L202 VanDerWaalsContact CZ-CB 3.46Å; F32-L202 HydrophobicContact CZ-CD1 3.93Å; F32-L202 HydrophobicContact CZ-CG 4.38Å; F32-M203 HydrophobicContact CE1-CG 4.35Å; F32-M203 HydrophobicContact CZ-CG 4.13Å
33V94.4Very high96.9Very high78 Ų7837 Ų3747%0.47320%0.204SC..THydrogen-bonded Turntrans-51.7137.4178.372.20000111A29 S30 K35 W211A29-V33 PolarHBondContact O-N 3.02Å; S30-V33 WeakPolarHBondContact O-CG1 3.13Å; V33-K35 PolarHBondContact O-N 3.42Å; V33-K35 VanDerWaalsContact O-N 3.11Å; V33-W211 HydrophobicContact CG1-CH2 4.5Å
34R93.1Very high97.1Very high80 Ų8039.7 Ų39.730%0.30222%0.222SC..THydrogen-bonded Turntrans58.615.4-175.8-60.4168.662.5173.16.8115.1F32 W211 W212 F213 P214F32-R34 PolarHBondContact O-N 3.28Å; R34-W211 HydrophobicContact CB-CZ2 4.37Å; R34-W211 VanDerWaalsContact NH2-NE1 3.12Å; R34-W212 PolarHBondContact NE-O 3.01Å; R34-W212 PolarHBondContact NH2-O 2.96Å; R34-W212 VanDerWaalsContact O-CB 3.25Å; R34-W212 WeakPolarHBondContact O-CB 3.44Å; R34-W212 VanDerWaalsContact O-CD1 3.26Å; R34-W212 PolarHBondContact O-N 2.97Å; R34-F213 VanDerWaalsContact NH2-C 3.28Å; R34-F213 PolarHBondContact NH2-O 3.43Å; R34-P214 PolarHBondContact NH2-O 3.46Å
35K93.8Very high97Very high67 Ų6740.9 Ų40.929%0.29123%0.234SC..THydrogen-bonded Turntrans-115.2-51.8173.1-64.8-174.4175.7-174.70111.6P4 F32 V33 L209 W211 W212P4-K35 VanDerWaalsContact CG-O 3.31Å; P4-K35 WeakPolarHBondContact CG-O 3.21Å; F32-K35 WeakPolarHBondContact O-CB 3.32Å; F32-K35 PolarHBondContact O-N 3.14Å; V33-K35 PolarHBondContact O-N 3.42Å; V33-K35 VanDerWaalsContact O-N 3.11Å; K35-L209 HydrophobicContact CB-CB 4.28Å; K35-L209 HydrophobicContact CB-CD1 4.34Å; K35-W211 HydrophobicContact CD-CE3 4.38Å; K35-W211 HydrophobicContact CG-CE3 4.01Å; K35-W211 HydrophobicContact CG-CZ3 4.44Å; K35-W212 PolarHBondContact O-NE1 3.48Å
36I96.1Very high97Very high6 Ų645 Ų453%0.03125%0.251CS..  trans-152.3141.7-174.9-172.6168.2000109.8P4 A6 F32 I38 K69 L206 L209P4-I36 HydrophobicContact CB-CD1 4.33Å; P4-I36 HydrophobicContact CB-CG1 4.11Å; P4-I36 HydrophobicContact CG-CB 4.2Å; P4-I36 HydrophobicContact CG-CG1 4.14Å; P4-I36 VanDerWaalsContact O-CG1 3.25Å; P4-I36 WeakPolarHBondContact O-CG1 3.38Å; A6-I36 HydrophobicContact CB-CD1 3.82Å; A6-I36 HydrophobicContact CB-CG1 4.34Å; F32-I36 HydrophobicContact CB-CG2 3.68Å; F32-I36 HydrophobicContact CD1-CG2 4.08Å; F32-I36 HydrophobicContact CG-CG2 4.05Å; F32-I36 PolarHBondContact O-N 2.6Å; I36-I38 HydrophobicContact CG2-CD1 4.45Å; I36-K69 HydrophobicContact CD1-CB 4.08Å; I36-L206 HydrophobicContact CD1-CD1 3.66Å; I36-L209 HydrophobicContact CB-CD1 3.83Å; I36-L209 HydrophobicContact CB-CD2 4.35Å; I36-L209 HydrophobicContact CD1-CD1 4.2Å; I36-L209 HydrophobicContact CG2-CD1 3.66Å
37D97.2Very high97.1Very high75 Ų7543.1 Ų43.140%0.40124%0.237SC..EExtended strand (participates in β ladder)trans-77.9129.2174.6-74.4-21.1000110.1P4 K5 A6P4-D37 PolarHBondContact O-N 2.81Å; K5-D37 CarbonylContact C-O 3.57Å; K5-D37 WeakPolarHBondContact CA-O 3.34Å; K5-D37 HydrophobicContact CG-CB 4.08Å; A6-D37 PolarHBondContact N-O 3.27Å
38I98.1Very high97.1Very high17 Ų1741.6 Ų41.69%0.08723%0.229CC..EExtended strand (participates in β ladder)trans-90119.1172.9-58.4-55.6000109.1A6 F8 W18 L25 L28 A29 I36 L202A6-I38 HydrophobicContact CB-CD1 4.01Å; F8-I38 HydrophobicContact CD2-CG2 3.98Å; F8-I38 HydrophobicContact CE2-CD1 4.07Å; F8-I38 HydrophobicContact CE2-CG2 3.87Å; W18-I38 HydrophobicContact CH2-CB 4.31Å; W18-I38 HydrophobicContact CH2-CG2 4.08Å; W18-I38 HydrophobicContact CZ2-CG2 4.25Å; L25-I38 HydrophobicContact CB-CG2 4.37Å; L25-I38 HydrophobicContact CD2-CG2 3.69Å; L28-I38 HydrophobicContact CB-CD1 4.3Å; L28-I38 HydrophobicContact CB-CG1 4.15Å; L28-I38 HydrophobicContact CB-CG2 4.44Å; A29-I38 HydrophobicContact CB-CB 3.99Å; A29-I38 HydrophobicContact CB-CG1 4.04Å; I36-I38 HydrophobicContact CG2-CD1 4.45Å; I38-L202 HydrophobicContact CD1-CD1 4.46Å
39V98.2Very high97.2Very high25 Ų2546.4 Ų46.415%0.15225%0.247CC..EExtended strand (participates in β ladder)trans-116.8105.4-175.2-177.20000110.3K5 A6 V7 F8 R41K5-V39 HydrophobicContact CB-CG2 4.22Å; K5-V39 HydrophobicContact CD-CG2 4.29Å; K5-V39 HydrophobicContact CG-CG2 4.19Å; A6-V39 PolarHBondContact O-N 3.12Å; V7-V39 WeakPolarHBondContact CA-O 3.24Å; V7-V39 HydrophobicContact CG2-CB 4.32Å; F8-V39 PolarHBondContact N-O 3.15Å; V39-R41 HydrophobicContact CG1-CG 4.47Å; V39-R41 VanDerWaalsContact CG1-NH1 3.29Å
40G98.3Very high97.2Very high13 Ų1349 Ų4913%0.13426%0.257CS..EExtended strand (participates in β ladder)trans-81133.4171.100000112.7
41R98.5Very high97.3Very high101 Ų10144.8 Ų44.838%0.38123%0.227SC..EExtended strand (participates in β ladder)trans-133.968.5170.9-69.2-66.4-175.9-89.10.1109.5F8 F9 G10 V39 Y43 Y59F8-R41 PolarHBondContact O-N 3.33Å; F9-R41 WeakPolarHBondContact CA-O 3.39Å; F9-R41 HydrophobicContact CD2-CB 3.97Å; F9-R41 WeakPolarHBondContact CD2-O 3.32Å; G10-R41 PolarHBondContact N-O 3.07Å; V39-R41 HydrophobicContact CG1-CG 4.47Å; V39-R41 VanDerWaalsContact CG1-NH1 3.29Å; R41-Y43 HydrophobicContact CB-CE2 4.04Å; R41-Y43 WeakPolarHBondContact O-CD2 3.04Å; R41-Y43 VanDerWaalsContact O-CE2 3.3Å; R41-Y43 WeakPolarHBondContact O-CE2 3.32Å; R41-Y59 WeakPolarHBondContact CG-OH 3.4Å
42G98.5Very high97.5Very high14 Ų1445.2 Ų45.214%0.14423%0.225CC..EExtended strand (participates in β ladder)trans-98.2139.9177.200000112.6G10 D11G10-G42 CarbonylContact O-C 3.46Å; G10-G42 WeakPolarHBondContact O-CA 3.33Å; D11-G42 CarbonylContact O-C 3.23Å; D11-G42 WeakPolarHBondContact O-CA 3.38Å
43Y98.5Very high97.6Very high48 Ų4848.8 Ų48.819%0.18825%0.249CC..  trans-129.399.1-177.6-58-85.3000110.2F9 G10 D11 R41 G45 Y46 L54 L58F9-Y43 HydrophobicContact CD2-CD2 4.48Å; F9-Y43 AromaticContact CD2-CE2 3.99Å; F9-Y43 HydrophobicContact CD2-CE2 3.99Å; F9-Y43 AromaticContact CE2-CD2 4Å; F9-Y43 HydrophobicContact CE2-CD2 4Å; F9-Y43 AromaticContact CE2-CE2 3.63Å; F9-Y43 HydrophobicContact CE2-CE2 3.63Å; G10-Y43 PolarHBondContact O-N 3.02Å; D11-Y43 CarbonylContact C-O 3.39Å; D11-Y43 VanDerWaalsContact CA-O 3.3Å; D11-Y43 WeakPolarHBondContact CA-O 3.46Å; D11-Y43 PolarHBondContact O-N 3.45Å; R41-Y43 HydrophobicContact CB-CE2 4.04Å; R41-Y43 WeakPolarHBondContact O-CD2 3.04Å; R41-Y43 VanDerWaalsContact O-CE2 3.3Å; R41-Y43 WeakPolarHBondContact O-CE2 3.32Å; Y43-G45 PolarHBondContact O-N 3.15Å; Y43-Y46 VanDerWaalsContact CB-CG 3.47Å; Y43-Y46 HydrophobicContact CG-CD1 4.43Å; Y43-Y46 VanDerWaalsContact O-CB 3.3Å; Y43-Y46 WeakPolarHBondContact O-CB 3.32Å; Y43-Y46 PolarHBondContact O-N 3.39Å; Y43-L54 HydrophobicContact CD1-CD2 3.92Å; Y43-L54 HydrophobicContact CD2-CD2 3.7Å; Y43-L54 HydrophobicContact CE1-CD2 3.85Å; Y43-L54 HydrophobicContact CE2-CD2 3.64Å; Y43-L54 HydrophobicContact CG-CD2 3.86Å; Y43-L58 HydrophobicContact CE2-CD1 3.96Å; Y43-L58 WeakPolarHBondContact OH-CD1 3.25Å; Y43-L58 WeakPolarHBondContact OH-CD2 3.34Å
44S98.1Very high97.8Very high56 Ų5646.4 Ų46.439%0.39223%0.233SC..THydrogen-bonded Turntrans-56.2126.4-173.9177.90000112.1Q15 Y46Q15-S44 VanDerWaalsContact OE1-CB 3.23Å; S44-Y46 VanDerWaalsContact C-N 3.3Å; S44-Y46 PolarHBondContact O-N 3.37Å
45G97.5Very high98Very high25 Ų2542.6 Ų42.626%0.25822%0.219SC..THydrogen-bonded Turntrans82.5-3.2-179.900000115.5Y43 Q86Y43-G45 PolarHBondContact O-N 3.15Å; G45-Q86 PolarHBondContact O-NE2 3.16Å
46Y98.6Very high98.2Very high88 Ų8841.2 Ų41.235%0.34522%0.216SC..  trans-75.1143.2179.2-78.5-130.3000111.4D11 Y43 S44 L50 L54 N78D11-Y46 WeakPolarHBondContact CB-O 3.46Å; Y43-Y46 VanDerWaalsContact CB-CG 3.47Å; Y43-Y46 HydrophobicContact CG-CD1 4.43Å; Y43-Y46 VanDerWaalsContact O-CB 3.3Å; Y43-Y46 WeakPolarHBondContact O-CB 3.32Å; Y43-Y46 PolarHBondContact O-N 3.39Å; S44-Y46 VanDerWaalsContact C-N 3.3Å; S44-Y46 PolarHBondContact O-N 3.37Å; Y46-L50 HydrophobicContact CD1-CB 3.63Å; Y46-L50 HydrophobicContact CE1-CB 4.14Å; Y46-L50 HydrophobicContact CG-CB 4.17Å; Y46-L50 HydrophobicContact CG-CD1 4.39Å; Y46-L54 HydrophobicContact CD1-CD2 4.26Å; Y46-L54 HydrophobicContact CE1-CD2 4Å; Y46-N78 WeakPolarHBondContact O-CB 3.38Å; Y46-N78 PolarHBondContact O-ND2 3.49Å
47N98.8Very high98.4Very high4 Ų447 Ų472%0.02125%0.246CC..  trans-110.9178.1170.461.225.7000109.4R49 L50 C51 N78 D79 Q86 V88N47-R49 VanDerWaalsContact C-N 3.26Å; N47-R49 PolarHBondContact O-N 3.01Å; N47-R49 WeakPolarHBondContact OD1-CB 3.49Å; N47-R49 PolarHBondContact OD1-N 2.98Å; N47-L50 PolarHBondContact O-N 2.89Å; N47-L50 WeakPolarHBondContact OD1-CG 3.42Å; N47-L50 PolarHBondContact OD1-N 3.12Å; N47-C51 WeakPolarHBondContact O-CB 3.44Å; N47-C51 PolarHBondContact O-N 2.86Å; N47-N78 HydrophobicContact CB-CB 4.12Å; N47-D79 WeakPolarHBondContact CA-OD2 3.24Å; N47-D79 WeakPolarHBondContact CB-OD2 3.16Å; N47-Q86 PolarHBondContact ND2-O 3.08Å; N47-V88 HydrophobicContact CB-CG2 3.76Å; N47-V88 VanDerWaalsContact CG-CG2 3.45Å; N47-V88 WeakPolarHBondContact ND2-CG2 3.41Å
48T98.9Very high98.4Very high0 Ų045.8 Ų45.80%024%0.239CC..Hα-helixtrans-61.3-32.8-179.259.90000113.5L50 C51 K52 L75 D79 Y93 N96 L97 M100T48-L50 VanDerWaalsContact C-N 3.32Å; T48-L50 PolarHBondContact O-N 3.37Å; T48-C51 PolarHBondContact O-N 2.85Å; T48-K52 WeakPolarHBondContact O-CB 3.44Å; T48-K52 PolarHBondContact O-N 3.44Å; T48-L75 HydrophobicContact CG2-CB 3.86Å; T48-L75 HydrophobicContact CG2-CD1 3.99Å; T48-D79 VanDerWaalsContact CB-OD1 3.26Å; T48-D79 WeakPolarHBondContact CB-OD1 3.43Å; T48-D79 WeakPolarHBondContact CG2-OD1 3.45Å; T48-D79 PolarHBondContact N-OD1 3.45Å; T48-D79 PolarHBondContact N-OD2 2.73Å; T48-D79 PolarHBondContact OG1-OD1 2.86Å; T48-Y93 HydrophobicContact CG2-CD2 3.41Å; T48-Y93 VanDerWaalsContact CG2-CD2 3.41Å; T48-Y93 HydrophobicContact CG2-CE2 3.64Å; T48-N96 PolarHBondContact OG1-ND2 3.44Å; T48-N96 VanDerWaalsContact OG1-ND2 3.16Å; T48-L97 HydrophobicContact CG2-CD2 3.96Å; T48-L97 HydrophobicContact CG2-CG 4.29Å; T48-M100 VanDerWaalsContact O-CE 3.27Å; T48-M100 WeakPolarHBondContact O-CE 3.27Å
49R98.7Very high98.4Very high102 Ų10245.6 Ų45.639%0.38524%0.238SC..Hα-helixtrans-62.4-39.5177.3-173.6-175.7-63.8132.7-1.5111.7N47 P53 H87 V88 E92N47-R49 VanDerWaalsContact C-N 3.26Å; N47-R49 PolarHBondContact O-N 3.01Å; N47-R49 WeakPolarHBondContact OD1-CB 3.49Å; N47-R49 PolarHBondContact OD1-N 2.98Å; R49-P53 WeakPolarHBondContact O-CD 3.23Å; R49-H87 PolarHBondContact NH1-O 3.27Å; R49-H87 VanDerWaalsContact NH1-O 3.13Å; R49-V88 HydrophobicContact CB-CG2 3.89Å; R49-E92 IonicContact CZ-OE1 3.44Å; R49-E92 IonicContact CZ-OE2 3.53Å; R49-E92 IonicContact NE-OE1 2.74Å; R49-E92 PolarHBondContact NE-OE1 2.86Å; R49-E92 IonicContact NE-OE2 3.52Å; R49-E92 IonicContact NH2-OE1 3.36Å; R49-E92 PolarHBondContact NH2-OE1 2.89Å; R49-E92 IonicContact NH2-OE2 2.7Å; R49-E92 PolarHBondContact NH2-OE2 2.94Å
50L98.5Very high98.4Very high86 Ų8648.3 Ų48.345%0.4526%0.255SS..Hα-helixtrans-79.2-36.5177.9-64.3173.8000112.5Y46 N47 T48 P53Y46-L50 HydrophobicContact CD1-CB 3.63Å; Y46-L50 HydrophobicContact CE1-CB 4.14Å; Y46-L50 HydrophobicContact CG-CB 4.17Å; Y46-L50 HydrophobicContact CG-CD1 4.39Å; N47-L50 PolarHBondContact O-N 2.89Å; N47-L50 WeakPolarHBondContact OD1-CG 3.42Å; N47-L50 PolarHBondContact OD1-N 3.12Å; T48-L50 VanDerWaalsContact C-N 3.32Å; T48-L50 PolarHBondContact O-N 3.37Å; L50-P53 WeakPolarHBondContact O-CD 3.26Å; L50-P53 WeakPolarHBondContact O-CG 3.32Å
51C98.7Very high98.4Very high0 Ų051.3 Ų51.30%027%0.269CS..Hα-helixtrans-70.6-29.5178.9-79.40000113.2F9 N47 T48 L54 L55 L75 M100F9-C51 HydrophobicContact CE1-CB 3.74Å; F9-C51 HydrophobicContact CZ-CB 3.6Å; N47-C51 WeakPolarHBondContact O-CB 3.44Å; N47-C51 PolarHBondContact O-N 2.86Å; T48-C51 PolarHBondContact O-N 2.85Å; C51-L54 WeakPolarHBondContact O-CB 3.21Å; C51-L54 PolarHBondContact O-N 2.8Å; C51-L54 VanDerWaalsContact O-N 3.16Å; C51-L55 PolarHBondContact O-N 3.12Å; C51-L55 VanDerWaalsContact O-N 3.08Å; C51-L75 HydrophobicContact CB-CD1 3.7Å; C51-M100 HydrophobicContact CB-CE 3.6Å
52K98.7Very high98.4Very high58 Ų5851.5 Ų51.525%0.25227%0.272SS..Hα-helixtrans-57.9-53.6-178.2179.7171.4-175.8177.30113.6T48 L54 P56 N96 W99 M100T48-K52 WeakPolarHBondContact O-CB 3.44Å; T48-K52 PolarHBondContact O-N 3.44Å; K52-L54 VanDerWaalsContact C-N 3.27Å; K52-L54 PolarHBondContact O-N 2.69Å; K52-P56 VanDerWaalsContact O-CD 3.29Å; K52-P56 WeakPolarHBondContact O-CD 3.35Å; K52-N96 HydrophobicContact CD-CB 4.38Å; K52-N96 WeakPolarHBondContact CD-OD1 3.19Å; K52-N96 PolarHBondContact NZ-OD1 2.86Å; K52-N96 VanDerWaalsContact NZ-OD1 3.08Å; K52-W99 HydrophobicContact CD-CD2 4.37Å; K52-W99 HydrophobicContact CD-CE3 4.34Å; K52-W99 HydrophobicContact CG-CD2 4.08Å; K52-W99 HydrophobicContact CG-CE3 3.65Å; K52-W99 HydrophobicContact CG-CH2 4.49Å; K52-W99 HydrophobicContact CG-CZ3 3.89Å; K52-W99 WeakPolarHBondContact O-CZ3 3.34Å; K52-M100 HydrophobicContact CB-CE 3.98Å
53P98.4Very high98.3Very high82 Ų8256.5 Ų56.553%0.53230%0.296SS..Hα-helixtrans-72.6-18.5175.129.7-36.9000113.5R49 L50 P56R49-P53 WeakPolarHBondContact O-CD 3.23Å; L50-P53 WeakPolarHBondContact O-CD 3.26Å; L50-P53 WeakPolarHBondContact O-CG 3.32Å; P53-P56 WeakPolarHBondContact O-CD 3.13Å
54L98.5Very high98.2Very high28 Ų2856.1 Ų56.115%0.14730%0.3CS..Hα-helixtrans-73.1-35.4178.3-179.461.4000112F9 Y43 Y46 C51 K52 I57 L58F9-L54 HydrophobicContact CE2-CD2 4.37Å; Y43-L54 HydrophobicContact CD1-CD2 3.92Å; Y43-L54 HydrophobicContact CD2-CD2 3.7Å; Y43-L54 HydrophobicContact CE1-CD2 3.85Å; Y43-L54 HydrophobicContact CE2-CD2 3.64Å; Y43-L54 HydrophobicContact CG-CD2 3.86Å; Y46-L54 HydrophobicContact CD1-CD2 4.26Å; Y46-L54 HydrophobicContact CE1-CD2 4Å; C51-L54 WeakPolarHBondContact O-CB 3.21Å; C51-L54 PolarHBondContact O-N 2.8Å; C51-L54 VanDerWaalsContact O-N 3.16Å; K52-L54 VanDerWaalsContact C-N 3.27Å; K52-L54 PolarHBondContact O-N 2.69Å; L54-I57 WeakPolarHBondContact O-CB 3.33Å; L54-I57 PolarHBondContact O-N 3.07Å; L54-L58 HydrophobicContact CD1-CD1 4.3Å; L54-L58 HydrophobicContact CD1-CD2 4.41Å; L54-L58 HydrophobicContact CD1-CG 4.1Å; L54-L58 HydrophobicContact CD2-CD1 4.22Å; L54-L58 HydrophobicContact CG-CD1 3.81Å; L54-L58 HydrophobicContact CG-CG 4.09Å; L54-L58 WeakPolarHBondContact O-CG 3.34Å; L54-L58 PolarHBondContact O-N 3.14Å; L54-L58 VanDerWaalsContact O-N 3.09Å
55L98.1Very high98.2Very high0 Ų053.8 Ų53.80%028%0.283CS..Hα-helixtrans-58.7-43.7-173.7-163.168.4000113.1F9 C51 I57 L58 Y59 F71 W99 M100 Y103 I104F9-L55 HydrophobicContact CD1-CD1 4.19Å; F9-L55 HydrophobicContact CD2-CD1 4.36Å; F9-L55 HydrophobicContact CE1-CD1 4.04Å; F9-L55 HydrophobicContact CE2-CD1 4.23Å; F9-L55 HydrophobicContact CG-CD1 4.34Å; F9-L55 HydrophobicContact CZ-CD1 4.06Å; C51-L55 PolarHBondContact O-N 3.12Å; C51-L55 VanDerWaalsContact O-N 3.08Å; L55-I57 VanDerWaalsContact C-N 3.32Å; L55-I57 PolarHBondContact O-N 3.21Å; L55-L58 PolarHBondContact O-N 3.42Å; L55-Y59 HydrophobicContact CD1-CD2 3.69Å; L55-Y59 HydrophobicContact CD1-CE2 3.85Å; L55-Y59 HydrophobicContact CG-CD2 4.3Å; L55-Y59 PolarHBondContact O-N 3.06Å; L55-F71 HydrophobicContact CD1-CZ 4.05Å; L55-W99 HydrophobicContact CD2-CZ3 4.49Å; L55-M100 HydrophobicContact CD2-CB 3.86Å; L55-M100 HydrophobicContact CD2-CG 3.91Å; L55-Y103 HydrophobicContact CB-CD1 4.46Å; L55-Y103 HydrophobicContact CD2-CD1 3.8Å; L55-Y103 HydrophobicContact CG-CD1 3.91Å; L55-Y103 HydrophobicContact CG-CE1 4.29Å; L55-I104 HydrophobicContact CD2-CD1 4.06Å; L55-I104 HydrophobicContact CD2-CG1 3.91Å
56P98.5Very high98.2Very high37 Ų3759 Ų5924%0.2430%0.299CS..Hα-helixtrans-67-25.6173.1-23.735.5000115.8K52 P53 Y59 P60 W99 Y103K52-P56 VanDerWaalsContact O-CD 3.29Å; K52-P56 WeakPolarHBondContact O-CD 3.35Å; P53-P56 WeakPolarHBondContact O-CD 3.13Å; P56-Y59 CarbonylContact O-C 3.51Å; P56-P60 WeakPolarHBondContact O-CA 3.34Å; P56-W99 HydrophobicContact CG-CH2 3.7Å; P56-Y103 VanDerWaalsContact CA-OH 3.22Å; P56-Y103 WeakPolarHBondContact CA-OH 3.43Å; P56-Y103 HydrophobicContact CB-CE1 4.23Å; P56-Y103 HydrophobicContact CB-CE2 4.22Å; P56-Y103 WeakPolarHBondContact CB-OH 3.19Å; P56-Y103 HydrophobicContact CG-CD2 4.47Å; P56-Y103 HydrophobicContact CG-CE1 4.01Å; P56-Y103 HydrophobicContact CG-CE2 3.92Å
57I98.5Very high98Very high129 Ų12956.2 Ų56.266%0.66229%0.29SS*.Hα-helixtrans-72.1-39.9176.8-62.2172000109.5L54 L55L54-I57 WeakPolarHBondContact O-CB 3.33Å; L54-I57 PolarHBondContact O-N 3.07Å; L55-I57 VanDerWaalsContact C-N 3.32Å; L55-I57 PolarHBondContact O-N 3.21Å
58L98.1Very high97.9Very high49 Ų4956.6 Ų56.626%0.25729%0.292SS..Hα-helixtrans-74.4-37.3178.3-62.6173.7000112.4F9 Y43 L54 L55 P60F9-L58 HydrophobicContact CD2-CD1 4.36Å; F9-L58 HydrophobicContact CE2-CD1 3.88Å; Y43-L58 HydrophobicContact CE2-CD1 3.96Å; Y43-L58 WeakPolarHBondContact OH-CD1 3.25Å; Y43-L58 WeakPolarHBondContact OH-CD2 3.34Å; L54-L58 HydrophobicContact CD1-CD1 4.3Å; L54-L58 HydrophobicContact CD1-CD2 4.41Å; L54-L58 HydrophobicContact CD1-CG 4.1Å; L54-L58 HydrophobicContact CD2-CD1 4.22Å; L54-L58 HydrophobicContact CG-CD1 3.81Å; L54-L58 HydrophobicContact CG-CG 4.09Å; L54-L58 WeakPolarHBondContact O-CG 3.34Å; L54-L58 PolarHBondContact O-N 3.14Å; L54-L58 VanDerWaalsContact O-N 3.09Å; L55-L58 PolarHBondContact O-N 3.42Å; L58-P60 WeakPolarHBondContact O-CD 3.36Å
59Y98.3Very high97.8Very high13 Ų1361.2 Ų61.25%0.05131%0.313CS..  trans-128.568.8-173.7-53.4-65.7000111.5V7 R41 L55 P56 N61 S64 L65 F71 Y103 L107V7-Y59 WeakPolarHBondContact CG1-OH 3.29Å; R41-Y59 WeakPolarHBondContact CG-OH 3.4Å; L55-Y59 HydrophobicContact CD1-CD2 3.69Å; L55-Y59 HydrophobicContact CD1-CE2 3.85Å; L55-Y59 HydrophobicContact CG-CD2 4.3Å; L55-Y59 PolarHBondContact O-N 3.06Å; P56-Y59 CarbonylContact O-C 3.51Å; Y59-N61 VanDerWaalsContact C-N 3.27Å; Y59-N61 PolarHBondContact O-N 3.36Å; Y59-S64 VanDerWaalsContact C-OG 3.3Å; Y59-S64 WeakPolarHBondContact CA-OG 3.2Å; Y59-S64 WeakPolarHBondContact CB-OG 3.1Å; Y59-L65 HydrophobicContact CD1-CD1 4.28Å; Y59-L65 HydrophobicContact CD1-CD2 3.39Å; Y59-L65 HydrophobicContact CD1-CG 3.66Å; Y59-L65 HydrophobicContact CE1-CD2 3.47Å; Y59-L65 VanDerWaalsContact CE1-CD2 3.47Å; Y59-L65 HydrophobicContact CE1-CG 4.26Å; Y59-L65 HydrophobicContact CG-CD1 4.13Å; Y59-L65 HydrophobicContact CG-CD2 4.03Å; Y59-L65 HydrophobicContact CG-CG 3.99Å; Y59-F71 HydrophobicContact CD2-CE2 4.32Å; Y59-F71 HydrophobicContact CD2-CZ 4.48Å; Y59-F71 AromaticContact CE2-CE2 3.8Å; Y59-F71 HydrophobicContact CE2-CE2 3.8Å; Y59-F71 AromaticContact CE2-CZ 3.85Å; Y59-F71 HydrophobicContact CE2-CZ 3.85Å; Y59-Y103 PolarHBondContact O-OH 3.28Å; Y59-L107 VanDerWaalsContact O-CD1 3.28Å; Y59-L107 WeakPolarHBondContact O-CD1 3.1Å
60P98.2Very high97.8Very high81 Ų8156.4 Ų56.453%0.52630%0.295SS..  trans-70.7-18.1-168.127-36.5000114.8P56 L58P56-P60 WeakPolarHBondContact O-CA 3.34Å; L58-P60 WeakPolarHBondContact O-CD 3.36Å
61N98Very high97.8Very high77 Ų7752.3 Ų52.341%0.41227%0.273SS..SBendtrans-160.5174.6-174.657.741.8000111.5Y59 D63 S64Y59-N61 VanDerWaalsContact C-N 3.27Å; Y59-N61 PolarHBondContact O-N 3.36Å; N61-D63 PolarHBondContact O-N 3.34Å; N61-D63 WeakPolarHBondContact OD1-CB 3.35Å; N61-D63 PolarHBondContact OD1-N 2.78Å; N61-S64 WeakPolarHBondContact O-CB 3.49Å; N61-S64 PolarHBondContact O-N 3.42Å; N61-S64 VanDerWaalsContact O-N 3.07Å; N61-S64 PolarHBondContact O-OG 2.85Å; N61-S64 PolarHBondContact OD1-N 3.26Å
62K97.9Very high97.8Very high104 Ų10452.3 Ų52.345%0.45227%0.273SS..Hα-helixtrans-56.8-35.1-178.7-67.9173.1167.5-137.80113.2S64 L65 K66 D108K62-S64 PolarHBondContact O-N 3.39Å; K62-L65 CarbonylContact O-C 3.58Å; K62-L65 PolarHBondContact O-N 2.99Å; K62-L65 VanDerWaalsContact O-N 3.16Å; K62-K66 PolarHBondContact O-N 3Å; K62-D108 WeakPolarHBondContact CD-OD2 3.16Å; K62-D108 WeakPolarHBondContact CE-OD1 3.37Å; K62-D108 VanDerWaalsContact CE-OD2 3.24Å; K62-D108 WeakPolarHBondContact CE-OD2 3.36Å; K62-D108 IonicContact NZ-OD1 2.76Å; K62-D108 PolarHBondContact NZ-OD1 3.26Å; K62-D108 IonicContact NZ-OD2 3.72Å; K62-D108 PolarHBondContact NZ-OD2 3.1Å
63D97Very high97.8Very high119 Ų11949.6 Ų49.664%0.63626%0.261SS*.Hα-helixtrans-62.4-29.2179.1-67.3-35.5000112.9N61 L65 K66N61-D63 PolarHBondContact O-N 3.34Å; N61-D63 WeakPolarHBondContact OD1-CB 3.35Å; N61-D63 PolarHBondContact OD1-N 2.78Å; D63-L65 VanDerWaalsContact C-N 3.27Å; D63-L65 PolarHBondContact O-N 3.46Å; D63-K66 WeakPolarHBondContact O-CG 3.48Å
64S97.3Very high97.8Very high40 Ų4045.8 Ų45.828%0.2824%0.236SC..Hα-helixtrans-68.1-23.9179.372.40000113.9Y59 N61 K62Y59-S64 VanDerWaalsContact C-OG 3.3Å; Y59-S64 WeakPolarHBondContact CA-OG 3.2Å; Y59-S64 WeakPolarHBondContact CB-OG 3.1Å; N61-S64 WeakPolarHBondContact O-CB 3.49Å; N61-S64 PolarHBondContact O-N 3.42Å; N61-S64 VanDerWaalsContact O-N 3.07Å; N61-S64 PolarHBondContact O-OG 2.85Å; N61-S64 PolarHBondContact OD1-N 3.26Å; K62-S64 PolarHBondContact O-N 3.39Å
65L97.5Very high97.9Very high8 Ų844.5 Ų44.54%0.04223%0.23CC..Hα-helixtrans-121.612.5178.8-69.5-178.6000113.3V7 Y59 K62 D63 D67 C68 F71 I104 L107 V109V7-L65 HydrophobicContact CG2-CD2 4.4Å; Y59-L65 HydrophobicContact CD1-CD1 4.28Å; Y59-L65 HydrophobicContact CD1-CD2 3.39Å; Y59-L65 HydrophobicContact CD1-CG 3.66Å; Y59-L65 HydrophobicContact CE1-CD2 3.47Å; Y59-L65 VanDerWaalsContact CE1-CD2 3.47Å; Y59-L65 HydrophobicContact CE1-CG 4.26Å; Y59-L65 HydrophobicContact CG-CD1 4.13Å; Y59-L65 HydrophobicContact CG-CD2 4.03Å; Y59-L65 HydrophobicContact CG-CG 3.99Å; K62-L65 CarbonylContact O-C 3.58Å; K62-L65 PolarHBondContact O-N 2.99Å; K62-L65 VanDerWaalsContact O-N 3.16Å; D63-L65 VanDerWaalsContact C-N 3.27Å; D63-L65 PolarHBondContact O-N 3.46Å; L65-D67 PolarHBondContact O-N 3.43Å; L65-D67 VanDerWaalsContact O-N 3.08Å; L65-C68 HydrophobicContact CB-CB 3.99Å; L65-C68 HydrophobicContact CD2-CB 3.99Å; L65-C68 WeakPolarHBondContact O-CB 3.06Å; L65-C68 PolarHBondContact O-N 3.01Å; L65-F71 HydrophobicContact CD1-CD2 4.29Å; L65-F71 HydrophobicContact CD1-CE2 4.2Å; L65-F71 HydrophobicContact CD2-CD2 4.2Å; L65-F71 HydrophobicContact CD2-CE2 4.07Å; L65-I104 HydrophobicContact CD1-CG2 4.38Å; L65-L107 HydrophobicContact CB-CB 4.49Å; L65-L107 HydrophobicContact CD1-CB 4.01Å; L65-L107 HydrophobicContact CD1-CD1 3.71Å; L65-L107 HydrophobicContact CG-CD1 4.41Å; L65-V109 HydrophobicContact CB-CG2 4.16Å; L65-V109 HydrophobicContact CD1-CG2 3.94Å
66K96.3Very high97.9Very high135 Ų13544.5 Ų44.559%0.58723%0.23SC*.THydrogen-bonded Turntrans-55.3-32.4-177.373.1-175.9-176177.80114.7K62 D63K62-K66 PolarHBondContact O-N 3Å; D63-K66 WeakPolarHBondContact O-CG 3.48Å
67D95.2Very high97.9Very high28 Ų2843 Ų4315%0.1522%0.22CC..THydrogen-bonded Turntrans-95.80.7179.3-55.7-55.2000112.2T2 P4 K5 L65 K69T2-D67 WeakPolarHBondContact CB-OD2 3.23Å; T2-D67 PolarHBondContact OG1-OD1 3.11Å; T2-D67 PolarHBondContact OG1-OD2 3.35Å; T2-D67 VanDerWaalsContact OG1-OD2 3.12Å; P4-D67 CarbonylContact C-O 3.58Å; P4-D67 WeakPolarHBondContact CA-O 3.29Å; K5-D67 HydrophobicContact CD-CB 4.3Å; K5-D67 HydrophobicContact CG-CB 4.42Å; K5-D67 PolarHBondContact N-O 3.02Å; K5-D67 IonicContact NZ-OD2 3.58Å; L65-D67 PolarHBondContact O-N 3.43Å; L65-D67 VanDerWaalsContact O-N 3.08Å; D67-K69 PolarHBondContact O-N 3.29Å
68C97Very high97.9Very high12 Ų1237 Ų378%0.08119%0.19CC..EExtended strand (participates in β ladder)trans-71.1118.7-178.8-1700000109.9K5 L65 F70 V109K5-C68 WeakPolarHBondContact O-CA 3.37Å; L65-C68 HydrophobicContact CB-CB 3.99Å; L65-C68 HydrophobicContact CD2-CB 3.99Å; L65-C68 WeakPolarHBondContact O-CB 3.06Å; L65-C68 PolarHBondContact O-N 3.01Å; C68-F70 PolarHBondContact SG-O 3.19Å; C68-V109 HydrophobicContact CB-CG2 4.12Å
69K96.7Very high97.9Very high98 Ų9834.7 Ų34.743%0.42618%0.177SC..EExtended strand (participates in β ladder)trans-105.1-15.3173.7-63.3-58.7-174.7-178.90112.7P4 K5 I36 D67 H113 L206P4-K69 HydrophobicContact CB-CB 4.37Å; P4-K69 HydrophobicContact CB-CG 3.45Å; P4-K69 VanDerWaalsContact CB-CG 3.45Å; K5-K69 PolarHBondContact O-N 3.26Å; I36-K69 HydrophobicContact CD1-CB 4.08Å; D67-K69 PolarHBondContact O-N 3.29Å; K69-H113 PolarHBondContact O-ND1 2.72Å; K69-L206 HydrophobicContact CB-CD2 3.89Å
70F98.1Very high97.9Very high1 Ų134.1 Ų34.10%0.00418%0.176CC..EExtended strand (participates in β ladder)trans-154.6140.8175.8-165-109000110.2K5 A6 V7 C68 T72 H113 S115 L201 L202 K205 L206K5-F70 PolarHBondContact O-N 3.3Å; A6-F70 CarbonylContact C-O 3.1Å; A6-F70 WeakPolarHBondContact CA-O 3.1Å; A6-F70 HydrophobicContact CB-CB 4.08Å; V7-F70 PolarHBondContact N-O 2.9Å; C68-F70 PolarHBondContact SG-O 3.19Å; F70-T72 HydrophobicContact CD1-CG2 3.89Å; F70-T72 HydrophobicContact CE1-CG2 3.34Å; F70-T72 HydrophobicContact CZ-CG2 4.24Å; F70-H113 WeakPolarHBondContact CA-O 3.27Å; F70-H113 VanDerWaalsContact CD2-O 3.24Å; F70-H113 WeakPolarHBondContact CD2-O 3.42Å; F70-S115 WeakPolarHBondContact CZ-OG 3.42Å; F70-L201 HydrophobicContact CE1-CD2 4.08Å; F70-L201 HydrophobicContact CE1-CG 4.46Å; F70-L201 HydrophobicContact CZ-CD1 4.42Å; F70-L201 HydrophobicContact CZ-CD2 3.66Å; F70-L201 HydrophobicContact CZ-CG 3.86Å; F70-L202 HydrophobicContact CB-CD2 4.14Å; F70-L202 HydrophobicContact CD1-CD2 3.45Å; F70-L202 VanDerWaalsContact CD1-CD2 3.45Å; F70-L202 HydrophobicContact CE1-CD2 3.93Å; F70-L202 HydrophobicContact CG-CD2 3.83Å; F70-K205 HydrophobicContact CD2-CB 4.23Å; F70-K205 HydrophobicContact CD2-CG 4.45Å; F70-K205 HydrophobicContact CE2-CB 4.14Å; F70-K205 HydrophobicContact CE2-CG 3.88Å; F70-L206 HydrophobicContact CB-CD1 4.12Å; F70-L206 HydrophobicContact CB-CD2 4.45Å
71F98.7Very high97.8Very high0 Ų030.3 Ų30.30%015%0.151CC..EExtended strand (participates in β ladder)trans-135.7125.7179.5-159-65.8000110.6V7 F9 L55 Y59 L65 I73 I104 V109 H113 I114 S115V7-F71 HydrophobicContact CB-CD2 3.69Å; V7-F71 HydrophobicContact CB-CE2 3.89Å; V7-F71 HydrophobicContact CB-CG 4.2Å; V7-F71 HydrophobicContact CG1-CD2 3.83Å; V7-F71 HydrophobicContact CG1-CE1 4.39Å; V7-F71 HydrophobicContact CG1-CE2 3.47Å; V7-F71 VanDerWaalsContact CG1-CE2 3.47Å; V7-F71 HydrophobicContact CG1-CG 4.43Å; V7-F71 HydrophobicContact CG1-CZ 3.78Å; V7-F71 HydrophobicContact CG2-CD2 4.31Å; V7-F71 HydrophobicContact CG2-CE2 4.48Å; V7-F71 CarbonylContact O-C 3.53Å; V7-F71 WeakPolarHBondContact O-CA 3.35Å; F9-F71 HydrophobicContact CB-CE1 3.58Å; F9-F71 HydrophobicContact CB-CZ 3.82Å; F9-F71 HydrophobicContact CG-CE1 4.36Å; F9-F71 HydrophobicContact CG-CZ 4.41Å; L55-F71 HydrophobicContact CD1-CZ 4.05Å; Y59-F71 HydrophobicContact CD2-CE2 4.32Å; Y59-F71 HydrophobicContact CD2-CZ 4.48Å; Y59-F71 AromaticContact CE2-CE2 3.8Å; Y59-F71 HydrophobicContact CE2-CE2 3.8Å; Y59-F71 AromaticContact CE2-CZ 3.85Å; Y59-F71 HydrophobicContact CE2-CZ 3.85Å; L65-F71 HydrophobicContact CD1-CD2 4.29Å; L65-F71 HydrophobicContact CD1-CE2 4.2Å; L65-F71 HydrophobicContact CD2-CD2 4.2Å; L65-F71 HydrophobicContact CD2-CE2 4.07Å; F71-I73 HydrophobicContact CD1-CG1 4.38Å; F71-I73 HydrophobicContact CE1-CG1 4.16Å; F71-I104 HydrophobicContact CB-CG2 4.26Å; F71-I104 HydrophobicContact CD1-CD1 3.59Å; F71-I104 HydrophobicContact CD1-CG1 4.46Å; F71-I104 HydrophobicContact CD2-CG2 4.12Å; F71-I104 HydrophobicContact CE1-CD1 3.45Å; F71-I104 VanDerWaalsContact CE1-CD1 3.45Å; F71-I104 HydrophobicContact CE1-CG1 4.29Å; F71-I104 HydrophobicContact CE2-CD1 4.38Å; F71-I104 HydrophobicContact CE2-CG1 4.37Å; F71-I104 HydrophobicContact CG-CD1 4.15Å; F71-I104 HydrophobicContact CG-CG2 4.08Å; F71-I104 HydrophobicContact CZ-CD1 3.88Å; F71-I104 HydrophobicContact CZ-CG1 4.25Å; F71-V109 HydrophobicContact CB-CG1 4.38Å; F71-H113 PolarHBondContact N-O 3.29Å; F71-I114 CarbonylContact O-C 3.49Å; F71-I114 VanDerWaalsContact O-CA 3.31Å; F71-I114 WeakPolarHBondContact O-CA 3.48Å; F71-S115 PolarHBondContact O-N 3.41Å
72T98.9Very high97.6Very high0 Ų029.6 Ų29.60%015%0.149CC..EExtended strand (participates in β ladder)trans-110.7142.8172.173.50000112.4V7 F8 F9 F70 S115 I117V7-T72 PolarHBondContact O-N 2.93Å; F8-T72 WeakPolarHBondContact CA-OG1 3.4Å; F8-T72 HydrophobicContact CD1-CG2 3.82Å; F8-T72 WeakPolarHBondContact CD1-OG1 3.11Å; F8-T72 HydrophobicContact CE1-CG2 3.77Å; F9-T72 PolarHBondContact N-O 3.17Å; F70-T72 HydrophobicContact CD1-CG2 3.89Å; F70-T72 HydrophobicContact CE1-CG2 3.34Å; F70-T72 HydrophobicContact CZ-CG2 4.24Å; T72-S115 CarbonylContact C-O 3.47Å; T72-S115 WeakPolarHBondContact CA-O 3.49Å; T72-I117 HydrophobicContact CG2-CD1 4.21Å
73I98.9Very high97.2Very high1 Ų126.3 Ų26.31%0.00514%0.138CC..EExtended strand (participates in β ladder)trans-109.6119.1163.9-56.5161.4000108.2F9 F71 L75 L97 M100 I101 I104 S115 L116 I117F9-I73 HydrophobicContact CD1-CG2 4.43Å; F71-I73 HydrophobicContact CD1-CG1 4.38Å; F71-I73 HydrophobicContact CE1-CG1 4.16Å; I73-L75 HydrophobicContact CG2-CB 4.37Å; I73-L75 HydrophobicContact CG2-CD1 3.81Å; I73-L75 HydrophobicContact CG2-CG 4.07Å; I73-L97 HydrophobicContact CG2-CD2 3.72Å; I73-M100 HydrophobicContact CD1-CB 3.63Å; I73-M100 HydrophobicContact CD1-SD 4.47Å; I73-M100 HydrophobicContact CG2-SD 4.17Å; I73-I101 HydrophobicContact CD1-CG1 4.13Å; I73-I104 HydrophobicContact CD1-CD1 3.83Å; I73-I104 HydrophobicContact CG1-CD1 4.08Å; I73-S115 PolarHBondContact N-O 3.2Å; I73-L116 HydrophobicContact CB-CD2 3.7Å; I73-L116 HydrophobicContact CD1-CD2 3.83Å; I73-L116 HydrophobicContact CG1-CD2 4.26Å; I73-L116 HydrophobicContact CG2-CD2 4.37Å; I73-I117 PolarHBondContact O-N 3.06Å
74F98.9Very high96.9Very high1 Ų126.2 Ų26.20%0.00414%0.144CC..EExtended strand (participates in β ladder)trans-122.785.4179.9-169.9-171.5000109.9F9 G10 D11 L13 I117 S118 L166 F186 L194F9-F74 PolarHBondContact O-N 3.03Å; G10-F74 WeakPolarHBondContact CA-O 3.42Å; D11-F74 PolarHBondContact N-O 3.17Å; L13-F74 HydrophobicContact CB-CD1 4.46Å; L13-F74 HydrophobicContact CB-CE1 3.97Å; L13-F74 HydrophobicContact CB-CZ 4.2Å; L13-F74 HydrophobicContact CD1-CE1 4.42Å; L13-F74 HydrophobicContact CD1-CE2 4.04Å; L13-F74 HydrophobicContact CD1-CZ 3.8Å; F74-I117 HydrophobicContact CB-CB 4.02Å; F74-I117 HydrophobicContact CB-CD1 4.18Å; F74-I117 HydrophobicContact CB-CG1 4.46Å; F74-I117 HydrophobicContact CD1-CB 4.46Å; F74-I117 HydrophobicContact CD1-CD1 4.25Å; F74-I117 HydrophobicContact CD1-CG2 4.26Å; F74-I117 HydrophobicContact CD2-CB 3.71Å; F74-I117 HydrophobicContact CD2-CG2 3.66Å; F74-I117 HydrophobicContact CE1-CG2 4.29Å; F74-I117 HydrophobicContact CE2-CB 4.28Å; F74-I117 HydrophobicContact CE2-CG2 3.7Å; F74-I117 HydrophobicContact CG-CB 3.82Å; F74-I117 HydrophobicContact CG-CD1 4.24Å; F74-I117 HydrophobicContact CG-CG2 3.96Å; F74-I117 HydrophobicContact CZ-CG2 4.03Å; F74-S118 WeakPolarHBondContact CE2-O 3.45Å; F74-L166 HydrophobicContact CE1-CD2 4.34Å; F74-L166 HydrophobicContact CE2-CD2 4.12Å; F74-L166 HydrophobicContact CZ-CD2 3.51Å; F74-F186 HydrophobicContact CE1-CE2 4.07Å; F74-F186 HydrophobicContact CE1-CZ 4.35Å; F74-F186 HydrophobicContact CZ-CE2 4.22Å; F74-F186 HydrophobicContact CZ-CZ 4.08Å; F74-L194 HydrophobicContact CE1-CD2 3.85Å
75L98.9Very high96.7Very high1 Ų132.8 Ų32.81%0.00517%0.17CC..  trans-138.7154.9-175.4-68171.5000110.3F9 D11 T48 C51 I73 Y93 M100F9-L75 HydrophobicContact CD1-CD1 4.46Å; F9-L75 HydrophobicContact CE1-CD1 4.06Å; D11-L75 HydrophobicContact CB-CD2 4.02Å; T48-L75 HydrophobicContact CG2-CB 3.86Å; T48-L75 HydrophobicContact CG2-CD1 3.99Å; C51-L75 HydrophobicContact CB-CD1 3.7Å; I73-L75 HydrophobicContact CG2-CB 4.37Å; I73-L75 HydrophobicContact CG2-CD1 3.81Å; I73-L75 HydrophobicContact CG2-CG 4.07Å; L75-Y93 PolarHBondContact O-OH 2.88Å; L75-M100 HydrophobicContact CD1-CE 4.01Å; L75-M100 HydrophobicContact CD1-SD 3.99Å
76G98.7Very high96.6Very high0 Ų034.2 Ų34.20%018%0.177CC..  trans137.6-25.2176.100000113.4N78 D79 A80G76-N78 PolarHBondContact O-N 3.33Å; G76-D79 WeakPolarHBondContact CA-OD2 3.25Å; G76-D79 PolarHBondContact N-OD2 3.3Å; G76-D79 PolarHBondContact O-N 3.49Å; G76-A80 VanDerWaalsContact O-CB 3.26Å; G76-A80 WeakPolarHBondContact O-CB 3.4Å; G76-A80 PolarHBondContact O-N 2.88Å
77A98.4Very high96.7Very high6 Ų630.8 Ų30.85%0.0516%0.162CC..THydrogen-bonded Turntrans-64.3-28.2-177.100000113L13 L119 R140 L184L13-A77 HydrophobicContact CD1-CB 3.95Å; A77-L119 HydrophobicContact CB-CB 4.24Å; A77-R140 PolarHBondContact O-NE 2.96Å; A77-R140 VanDerWaalsContact O-NE 3.09Å; A77-L184 HydrophobicContact CB-CD1 4.28Å
78N98.5Very high96.9Very high3 Ų329.4 Ų29.42%0.01616%0.155CC..THydrogen-bonded Turntrans-89.4-37.2173.1-64.1-47.3000112.3D11 Y46 N47 G76 A80 C81 Q86 R140D11-N78 WeakPolarHBondContact CB-ND2 3.22Å; D11-N78 PolarHBondContact OD2-ND2 3.23Å; Y46-N78 WeakPolarHBondContact O-CB 3.38Å; Y46-N78 PolarHBondContact O-ND2 3.49Å; N47-N78 HydrophobicContact CB-CB 4.12Å; G76-N78 PolarHBondContact O-N 3.33Å; N78-A80 VanDerWaalsContact C-N 3.29Å; N78-A80 PolarHBondContact O-N 2.81Å; N78-C81 WeakPolarHBondContact O-CB 3.44Å; N78-C81 PolarHBondContact O-N 2.81Å; N78-C81 VanDerWaalsContact O-N 3.09Å; N78-Q86 HydrophobicContact CB-CB 4.25Å; N78-Q86 VanDerWaalsContact CG-NE2 3.27Å; N78-Q86 CarbonylContact O-C 3.56Å; N78-Q86 WeakPolarHBondContact O-CB 3.32Å; N78-Q86 VanDerWaalsContact O-O 3.07Å; N78-Q86 PolarHBondContact OD1-NE2 3.07Å; N78-R140 PolarHBondContact OD1-NH2 3.13Å
79D98.7Very high96.9Very high0 Ų031.7 Ų31.70%017%0.17CC..THydrogen-bonded Turntrans-59.1-40.5176.3-55.7-109.6000112N47 T48 G76 C81 H87 V88 Y93 Y148N47-D79 WeakPolarHBondContact CA-OD2 3.24Å; N47-D79 WeakPolarHBondContact CB-OD2 3.16Å; T48-D79 VanDerWaalsContact CB-OD1 3.26Å; T48-D79 WeakPolarHBondContact CB-OD1 3.43Å; T48-D79 WeakPolarHBondContact CG2-OD1 3.45Å; T48-D79 PolarHBondContact N-OD1 3.45Å; T48-D79 PolarHBondContact N-OD2 2.73Å; T48-D79 PolarHBondContact OG1-OD1 2.86Å; G76-D79 WeakPolarHBondContact CA-OD2 3.25Å; G76-D79 PolarHBondContact N-OD2 3.3Å; G76-D79 PolarHBondContact O-N 3.49Å; D79-C81 PolarHBondContact O-N 2.97Å; D79-C81 VanDerWaalsContact O-N 3.12Å; D79-H87 WeakPolarHBondContact O-CA 3.45Å; D79-H87 PolarHBondContact O-ND1 2.97Å; D79-H87 VanDerWaalsContact O-ND1 3.08Å; D79-V88 HydrophobicContact CB-CB 3.99Å; D79-V88 HydrophobicContact CB-CG2 4.38Å; D79-V88 PolarHBondContact O-N 2.68Å; D79-V88 WeakPolarHBondContact OD1-CB 3.43Å; D79-V88 WeakPolarHBondContact OD1-CG2 3.35Å; D79-Y93 HydrophobicContact CB-CD2 3.9Å; D79-Y93 HydrophobicContact CB-CE2 4.44Å; D79-Y148 HydrophobicContact CB-CD1 4.04Å; D79-Y148 HydrophobicContact CB-CE1 3.7Å; D79-Y148 PolarHBondContact O-OH 3.25Å
80A98.3Very high97Very high2 Ų229.1 Ų29.12%0.01716%0.162CC..THydrogen-bonded Turntrans-712.5176.800000114.3G76 N78 L119 T144 Y148G76-A80 VanDerWaalsContact O-CB 3.26Å; G76-A80 WeakPolarHBondContact O-CB 3.4Å; G76-A80 PolarHBondContact O-N 2.88Å; N78-A80 VanDerWaalsContact C-N 3.29Å; N78-A80 PolarHBondContact O-N 2.81Å; A80-L119 HydrophobicContact CB-CD1 3.74Å; A80-T144 HydrophobicContact CB-CG2 4.16Å; A80-T144 WeakPolarHBondContact O-CG2 3.2Å; A80-Y148 HydrophobicContact CB-CD1 4.39Å; A80-Y148 HydrophobicContact CB-CD2 3.59Å; A80-Y148 HydrophobicContact CB-CE2 3.96Å; A80-Y148 HydrophobicContact CB-CG 3.84Å
81C97Very high97.1Very high0 Ų034.7 Ų34.70%019%0.188CC..  trans-60.2138.6172.7-176.30000110.5N78 D79 T83 Q86 H87 T139N78-C81 WeakPolarHBondContact O-CB 3.44Å; N78-C81 PolarHBondContact O-N 2.81Å; N78-C81 VanDerWaalsContact O-N 3.09Å; D79-C81 PolarHBondContact O-N 2.97Å; D79-C81 VanDerWaalsContact O-N 3.12Å; C81-T83 VanDerWaalsContact C-N 3.31Å; C81-T83 PolarHBondContact SG-N 3Å; C81-T83 VanDerWaalsContact SG-N 3.4Å; C81-T83 PolarHBondContact SG-O 3.39Å; C81-T83 PolarHBondContact SG-OG1 3Å; C81-Q86 HydrophobicContact CB-CB 3.9Å; C81-H87 VanDerWaalsContact O-CB 3.27Å; C81-H87 WeakPolarHBondContact O-CB 3.31Å; C81-H87 VanDerWaalsContact O-CG 3.29Å; C81-H87 PolarHBondContact O-ND1 2.92Å; C81-T139 CarbonylContact C-O 3.57Å; C81-T139 VanDerWaalsContact CA-O 3.22Å; C81-T139 WeakPolarHBondContact CA-O 3.24Å; C81-T139 PolarHBondContact SG-O 3.05Å
82V92.9Very high97.1Very high63 Ų6337.5 Ų37.538%0.38220%0.201SC..SBendtrans-80.6-15.7175.8-55.20000112.4I138 T139 K141V82-I138 WeakPolarHBondContact CG2-O 3.31Å; V82-T139 PolarHBondContact N-O 3.45Å; V82-K141 HydrophobicContact CG1-CD 4.21Å; V82-K141 HydrophobicContact CG1-CG 4.2Å
83T90.3Very high97.1Very high35 Ų3537.5 Ų37.522%0.21520%0.201CC..SBendtrans-96144179.768.70000111.4C81 Q85 Q86 H87 T139C81-T83 VanDerWaalsContact C-N 3.31Å; C81-T83 PolarHBondContact SG-N 3Å; C81-T83 VanDerWaalsContact SG-N 3.4Å; C81-T83 PolarHBondContact SG-O 3.39Å; C81-T83 PolarHBondContact SG-OG1 3Å; T83-Q85 PolarHBondContact O-N 2.83Å; T83-Q86 PolarHBondContact O-N 2.87Å; T83-H87 VanDerWaalsContact O-CB 3.26Å; T83-H87 WeakPolarHBondContact O-CB 3.38Å; T83-H87 PolarHBondContact O-N 3.37Å; T83-T139 HydrophobicContact CG2-CG2 3.78Å
84P90.4Very high97.1Very high117 Ų11739.5 Ų39.576%0.7621%0.21SC*.THydrogen-bonded Turntrans-58.8-23.3-172.4-26.834.5000115.6Q86P84-Q86 VanDerWaalsContact C-N 3.29Å; P84-Q86 PolarHBondContact O-N 2.85Å
85Q91.6Very high97.1Very high177 Ų17742.1 Ų42.183%0.82723%0.228SC*.THydrogen-bonded Turntrans-61.3-36.9-172.1-171.1176.310.800112.9T83T83-Q85 PolarHBondContact O-N 2.83Å
86Q96.5Very high97.1Very high39 Ų3942.2 Ų42.218%0.18223%0.229CC..THydrogen-bonded Turntrans-118.2-13.9178.7-63.3-174.8-7700113.1G45 N47 N78 C81 T83 P84 V88G45-Q86 PolarHBondContact O-NE2 3.16Å; N47-Q86 PolarHBondContact ND2-O 3.08Å; N78-Q86 HydrophobicContact CB-CB 4.25Å; N78-Q86 VanDerWaalsContact CG-NE2 3.27Å; N78-Q86 CarbonylContact O-C 3.56Å; N78-Q86 WeakPolarHBondContact O-CB 3.32Å; N78-Q86 VanDerWaalsContact O-O 3.07Å; N78-Q86 PolarHBondContact OD1-NE2 3.07Å; C81-Q86 HydrophobicContact CB-CB 3.9Å; T83-Q86 PolarHBondContact O-N 2.87Å; P84-Q86 VanDerWaalsContact C-N 3.29Å; P84-Q86 PolarHBondContact O-N 2.85Å; Q86-V88 PolarHBondContact O-N 3Å
87H98.2Very high97.1Very high62 Ų6242.3 Ų42.329%0.28723%0.229SC..  trans-59.5136-177.2-174.659000113.3R49 D79 C81 T83 Y148R49-H87 PolarHBondContact NH1-O 3.27Å; R49-H87 VanDerWaalsContact NH1-O 3.13Å; D79-H87 WeakPolarHBondContact O-CA 3.45Å; D79-H87 PolarHBondContact O-ND1 2.97Å; D79-H87 VanDerWaalsContact O-ND1 3.08Å; C81-H87 VanDerWaalsContact O-CB 3.27Å; C81-H87 WeakPolarHBondContact O-CB 3.31Å; C81-H87 VanDerWaalsContact O-CG 3.29Å; C81-H87 PolarHBondContact O-ND1 2.92Å; T83-H87 VanDerWaalsContact O-CB 3.26Å; T83-H87 WeakPolarHBondContact O-CB 3.38Å; T83-H87 PolarHBondContact O-N 3.37Å; H87-Y148 PolarHBondContact CE1-OH 3.26Å
88V98.7Very high97.1Very high0 Ų043.6 Ų43.60%024%0.238CC..  trans-129.3116.3169.7178.80000107.4N47 R49 D79 Q86 E92 Y148N47-V88 HydrophobicContact CB-CG2 3.76Å; N47-V88 VanDerWaalsContact CG-CG2 3.45Å; N47-V88 WeakPolarHBondContact ND2-CG2 3.41Å; R49-V88 HydrophobicContact CB-CG2 3.89Å; D79-V88 HydrophobicContact CB-CB 3.99Å; D79-V88 HydrophobicContact CB-CG2 4.38Å; D79-V88 PolarHBondContact O-N 2.68Å; D79-V88 WeakPolarHBondContact OD1-CB 3.43Å; D79-V88 WeakPolarHBondContact OD1-CG2 3.35Å; Q86-V88 PolarHBondContact O-N 3Å; V88-E92 HydrophobicContact CG1-CB 3.8Å; V88-E92 HydrophobicContact CG1-CG 3.85Å; V88-Y148 WeakPolarHBondContact O-CE1 3.29Å; V88-Y148 PolarHBondContact O-OH 3.03Å
89P98.4Very high97.1Very high59 Ų5947.6 Ų47.638%0.38325%0.253SS..  trans-51.1144.4-178.7-27.735.1000112.7E91 E92 Y93P89-E91 VanDerWaalsContact C-N 3.26Å; P89-E91 PolarHBondContact O-N 3.19Å; P89-E91 VanDerWaalsContact O-N 3.12Å; P89-E92 HydrophobicContact CB-CB 4.49Å; P89-E92 CarbonylContact O-C 3.6Å; P89-E92 WeakPolarHBondContact O-CA 3.5Å; P89-E92 WeakPolarHBondContact O-CB 3.45Å; P89-E92 PolarHBondContact O-N 3.23Å; P89-Y93 PolarHBondContact O-N 3.49Å
90V98.6Very high97.1Very high44 Ų4447.6 Ų47.627%0.26725%0.253SS..Hα-helixtrans-53.5-39.8-171.268.40000113.6Y93 K94 T147 A151V90-Y93 WeakPolarHBondContact O-CB 3.34Å; V90-Y93 PolarHBondContact O-N 3.37Å; V90-K94 HydrophobicContact CG2-CD 4.35Å; V90-K94 VanDerWaalsContact O-CG 3.29Å; V90-K94 WeakPolarHBondContact O-CG 3.38Å; V90-K94 PolarHBondContact O-N 3.07Å; V90-T147 HydrophobicContact CG2-CG2 4.17Å; V90-A151 HydrophobicContact CG2-CB 3.54Å
91E98.7Very high97.2Very high119 Ų11947.5 Ų47.556%0.55625%0.252SS*.Hα-helixtrans-70.4-35.9177.6-66.8-53.2128.600112.4P89 K94 S95P89-E91 VanDerWaalsContact C-N 3.26Å; P89-E91 PolarHBondContact O-N 3.19Å; P89-E91 VanDerWaalsContact O-N 3.12Å; E91-K94 PolarHBondContact O-N 3.23Å; E91-K94 IonicContact OE1-NZ 2.74Å; E91-K94 PolarHBondContact OE1-NZ 3.31Å; E91-K94 IonicContact OE2-NZ 3.85Å; E91-S95 WeakPolarHBondContact O-CB 3.37Å; E91-S95 PolarHBondContact O-N 3.03Å
92E98.8Very high97.2Very high59 Ų5950.2 Ų50.228%0.27627%0.267SS..Hα-helixtrans-66.9-43.9172.7-170-171148.200110.6R49 V88 P89 K94 S95 N96R49-E92 IonicContact CZ-OE1 3.44Å; R49-E92 IonicContact CZ-OE2 3.53Å; R49-E92 IonicContact NE-OE1 2.74Å; R49-E92 PolarHBondContact NE-OE1 2.86Å; R49-E92 IonicContact NE-OE2 3.52Å; R49-E92 IonicContact NH2-OE1 3.36Å; R49-E92 PolarHBondContact NH2-OE1 2.89Å; R49-E92 IonicContact NH2-OE2 2.7Å; R49-E92 PolarHBondContact NH2-OE2 2.94Å; V88-E92 HydrophobicContact CG1-CB 3.8Å; V88-E92 HydrophobicContact CG1-CG 3.85Å; P89-E92 HydrophobicContact CB-CB 4.49Å; P89-E92 CarbonylContact O-C 3.6Å; P89-E92 WeakPolarHBondContact O-CA 3.5Å; P89-E92 WeakPolarHBondContact O-CB 3.45Å; P89-E92 PolarHBondContact O-N 3.23Å; E92-K94 VanDerWaalsContact C-N 3.35Å; E92-K94 PolarHBondContact O-N 3.11Å; E92-S95 PolarHBondContact O-N 2.81Å; E92-S95 PolarHBondContact O-OG 2.98Å; E92-N96 WeakPolarHBondContact O-CB 3.49Å; E92-N96 PolarHBondContact O-N 2.82Å; E92-N96 PolarHBondContact O-ND2 3.21Å
93Y98.9Very high97.5Very high0 Ų049.1 Ų49.10%026%0.256CS..Hα-helixtrans-53.7-49.9173.6168.4-102.2000111.3T48 L75 D79 P89 V90 S95 N96 L97 Y148 A151 C152T48-Y93 HydrophobicContact CG2-CD2 3.41Å; T48-Y93 VanDerWaalsContact CG2-CD2 3.41Å; T48-Y93 HydrophobicContact CG2-CE2 3.64Å; L75-Y93 PolarHBondContact O-OH 2.88Å; D79-Y93 HydrophobicContact CB-CD2 3.9Å; D79-Y93 HydrophobicContact CB-CE2 4.44Å; P89-Y93 PolarHBondContact O-N 3.49Å; V90-Y93 WeakPolarHBondContact O-CB 3.34Å; V90-Y93 PolarHBondContact O-N 3.37Å; Y93-S95 PolarHBondContact O-N 2.98Å; Y93-N96 PolarHBondContact O-N 2.92Å; Y93-L97 HydrophobicContact CD1-CD1 4.19Å; Y93-L97 HydrophobicContact CD2-CD1 4.4Å; Y93-L97 HydrophobicContact CD2-CG 4.48Å; Y93-L97 HydrophobicContact CE1-CD1 3.57Å; Y93-L97 HydrophobicContact CE2-CD1 3.79Å; Y93-L97 HydrophobicContact CE2-CD2 4.46Å; Y93-L97 HydrophobicContact CE2-CG 4.15Å; Y93-L97 WeakPolarHBondContact O-CG 3.3Å; Y93-L97 PolarHBondContact O-N 2.85Å; Y93-Y148 AromaticContact CD1-CD1 3.72Å; Y93-Y148 HydrophobicContact CD1-CD1 3.72Å; Y93-Y148 HydrophobicContact CD1-CE1 4.24Å; Y93-Y148 HydrophobicContact CD2-CD1 4.02Å; Y93-Y148 HydrophobicContact CD2-CE1 4.32Å; Y93-Y148 AromaticContact CE1-CD1 3.99Å; Y93-Y148 HydrophobicContact CE1-CD1 3.99Å; Y93-Y148 HydrophobicContact CE2-CD1 4.29Å; Y93-Y148 AromaticContact CG-CD1 3.72Å; Y93-Y148 HydrophobicContact CG-CD1 3.72Å; Y93-Y148 AromaticContact CG-CE1 3.91Å; Y93-Y148 HydrophobicContact CG-CE1 3.91Å; Y93-A151 HydrophobicContact CD1-CB 4.16Å; Y93-A151 HydrophobicContact CE1-CB 4.19Å; Y93-C152 HydrophobicContact CE1-CB 4.2Å; Y93-C152 WeakPolarHBondContact OH-CB 3.39Å
94K98.9Very high97.9Very high42 Ų4247.5 Ų47.518%0.18325%0.246CC..Hα-helixtrans-60.4-45.4177.4-71.4169.461.3175.80112.3V90 E91 E92 N96 L97 S98 A151 E154 V155V90-K94 HydrophobicContact CG2-CD 4.35Å; V90-K94 VanDerWaalsContact O-CG 3.29Å; V90-K94 WeakPolarHBondContact O-CG 3.38Å; V90-K94 PolarHBondContact O-N 3.07Å; E91-K94 PolarHBondContact O-N 3.23Å; E91-K94 IonicContact OE1-NZ 2.74Å; E91-K94 PolarHBondContact OE1-NZ 3.31Å; E91-K94 IonicContact OE2-NZ 3.85Å; E92-K94 VanDerWaalsContact C-N 3.35Å; E92-K94 PolarHBondContact O-N 3.11Å; K94-N96 VanDerWaalsContact C-N 3.31Å; K94-N96 PolarHBondContact O-N 3.23Å; K94-L97 PolarHBondContact O-N 2.91Å; K94-S98 PolarHBondContact O-N 3.47Å; K94-S98 PolarHBondContact O-OG 3.08Å; K94-A151 HydrophobicContact CD-CB 3.8Å; K94-A151 HydrophobicContact CG-CB 3.75Å; K94-E154 VanDerWaalsContact CE-OE2 3.3Å; K94-E154 WeakPolarHBondContact CE-OE2 3.23Å; K94-E154 IonicContact NZ-OE2 3.48Å; K94-E154 PolarHBondContact NZ-OE2 3.41Å; K94-V155 HydrophobicContact CB-CG2 3.69Å; K94-V155 HydrophobicContact CG-CG2 3.77Å
95S98.9Very high98.3Very high56 Ų5645.4 Ų45.439%0.39223%0.226SC..Hα-helixtrans-63.3-37.917881.70000112.2E91 E92 Y93 W99E91-S95 WeakPolarHBondContact O-CB 3.37Å; E91-S95 PolarHBondContact O-N 3.03Å; E92-S95 PolarHBondContact O-N 2.81Å; E92-S95 PolarHBondContact O-OG 2.98Å; Y93-S95 PolarHBondContact O-N 2.98Å; S95-W99 WeakPolarHBondContact O-CB 3.23Å; S95-W99 PolarHBondContact O-N 3.29Å
96N98.9Very high98.6Very high4 Ų443 Ų432%0.02121%0.213CC..Hα-helixtrans-70.3-44.4-179.4-71.5-21.7000110.8T48 K52 E92 Y93 K94 W99 M100T48-N96 PolarHBondContact OG1-ND2 3.44Å; T48-N96 VanDerWaalsContact OG1-ND2 3.16Å; K52-N96 HydrophobicContact CD-CB 4.38Å; K52-N96 WeakPolarHBondContact CD-OD1 3.19Å; K52-N96 PolarHBondContact NZ-OD1 2.86Å; K52-N96 VanDerWaalsContact NZ-OD1 3.08Å; E92-N96 WeakPolarHBondContact O-CB 3.49Å; E92-N96 PolarHBondContact O-N 2.82Å; E92-N96 PolarHBondContact O-ND2 3.21Å; Y93-N96 PolarHBondContact O-N 2.92Å; K94-N96 VanDerWaalsContact C-N 3.31Å; K94-N96 PolarHBondContact O-N 3.23Å; N96-W99 PolarHBondContact O-N 3.13Å; N96-M100 VanDerWaalsContact O-CG 3.28Å; N96-M100 WeakPolarHBondContact O-CG 3.4Å; N96-M100 PolarHBondContact O-N 3.28Å
97L99Very high98.7Very high1 Ų141.8 Ų41.81%0.00521%0.208CC..Hα-helixtrans-61.7-46.3175.2-69.5-178.2000112T48 I73 Y93 K94 W99 M100 I101 L116 V155T48-L97 HydrophobicContact CG2-CD2 3.96Å; T48-L97 HydrophobicContact CG2-CG 4.29Å; I73-L97 HydrophobicContact CG2-CD2 3.72Å; Y93-L97 HydrophobicContact CD1-CD1 4.19Å; Y93-L97 HydrophobicContact CD2-CD1 4.4Å; Y93-L97 HydrophobicContact CD2-CG 4.48Å; Y93-L97 HydrophobicContact CE1-CD1 3.57Å; Y93-L97 HydrophobicContact CE2-CD1 3.79Å; Y93-L97 HydrophobicContact CE2-CD2 4.46Å; Y93-L97 HydrophobicContact CE2-CG 4.15Å; Y93-L97 WeakPolarHBondContact O-CG 3.3Å; Y93-L97 PolarHBondContact O-N 2.85Å; K94-L97 PolarHBondContact O-N 2.91Å; L97-W99 VanDerWaalsContact C-N 3.28Å; L97-W99 PolarHBondContact O-N 2.89Å; L97-M100 HydrophobicContact CD2-SD 4.48Å; L97-M100 PolarHBondContact O-N 3Å; L97-M100 VanDerWaalsContact O-N 3.14Å; L97-I101 WeakPolarHBondContact O-CG1 3.48Å; L97-I101 PolarHBondContact O-N 3.29Å; L97-L116 HydrophobicContact CD1-CD1 4.16Å; L97-V155 HydrophobicContact CB-CG1 3.83Å; L97-V155 HydrophobicContact CB-CG2 4.48Å
98S98.9Very high98.7Very high34 Ų3443.8 Ų43.824%0.23822%0.221CC..Hα-helixtrans-59.2-41.8176.8-58.40000111.3K94 I101 D102 V155 N159K94-S98 PolarHBondContact O-N 3.47Å; K94-S98 PolarHBondContact O-OG 3.08Å; S98-I101 PolarHBondContact O-N 3.35Å; S98-D102 PolarHBondContact O-N 3.4Å; S98-D102 VanDerWaalsContact O-N 3.07Å; S98-V155 WeakPolarHBondContact OG-CG1 3.41Å; S98-N159 PolarHBondContact OG-ND2 2.89Å
99W98.9Very high98.7Very high87 Ų8743.9 Ų43.933%0.3322%0.221SC..Hα-helixtrans-63.5-42.6175.4-176.494.7000112.3K52 L55 P56 S95 N96 L97 D102 Y103K52-W99 HydrophobicContact CD-CD2 4.37Å; K52-W99 HydrophobicContact CD-CE3 4.34Å; K52-W99 HydrophobicContact CG-CD2 4.08Å; K52-W99 HydrophobicContact CG-CE3 3.65Å; K52-W99 HydrophobicContact CG-CH2 4.49Å; K52-W99 HydrophobicContact CG-CZ3 3.89Å; K52-W99 WeakPolarHBondContact O-CZ3 3.34Å; L55-W99 HydrophobicContact CD2-CZ3 4.49Å; P56-W99 HydrophobicContact CG-CH2 3.7Å; S95-W99 WeakPolarHBondContact O-CB 3.23Å; S95-W99 PolarHBondContact O-N 3.29Å; N96-W99 PolarHBondContact O-N 3.13Å; L97-W99 VanDerWaalsContact C-N 3.28Å; L97-W99 PolarHBondContact O-N 2.89Å; W99-D102 PolarHBondContact O-N 3.29Å; W99-Y103 HydrophobicContact CH2-CD1 4.47Å; W99-Y103 AromaticContact CH2-CD2 3.78Å; W99-Y103 HydrophobicContact CH2-CD2 3.78Å; W99-Y103 HydrophobicContact CH2-CE2 4.44Å; W99-Y103 AromaticContact CH2-CG 3.82Å; W99-Y103 HydrophobicContact CH2-CG 3.82Å; W99-Y103 HydrophobicContact CZ2-CD2 4.03Å; W99-Y103 HydrophobicContact CZ2-CG 4.39Å; W99-Y103 HydrophobicContact CZ3-CD2 4.45Å; W99-Y103 HydrophobicContact CZ3-CG 4.04Å; W99-Y103 WeakPolarHBondContact O-CB 3.16Å; W99-Y103 PolarHBondContact O-N 2.83Å
100M98.9Very high98.6Very high0 Ų043.4 Ų43.40%022%0.218CC..Hα-helixtrans-63.6-41.6178.4-70.2174.5-168.400111.4F9 T48 C51 K52 L55 I73 L75 N96 L97 Y103 I104F9-M100 HydrophobicContact CE1-SD 4.23Å; T48-M100 VanDerWaalsContact O-CE 3.27Å; T48-M100 WeakPolarHBondContact O-CE 3.27Å; C51-M100 HydrophobicContact CB-CE 3.6Å; K52-M100 HydrophobicContact CB-CE 3.98Å; L55-M100 HydrophobicContact CD2-CB 3.86Å; L55-M100 HydrophobicContact CD2-CG 3.91Å; I73-M100 HydrophobicContact CD1-CB 3.63Å; I73-M100 HydrophobicContact CD1-SD 4.47Å; I73-M100 HydrophobicContact CG2-SD 4.17Å; L75-M100 HydrophobicContact CD1-CE 4.01Å; L75-M100 HydrophobicContact CD1-SD 3.99Å; N96-M100 VanDerWaalsContact O-CG 3.28Å; N96-M100 WeakPolarHBondContact O-CG 3.4Å; N96-M100 PolarHBondContact O-N 3.28Å; L97-M100 HydrophobicContact CD2-SD 4.48Å; L97-M100 PolarHBondContact O-N 3Å; L97-M100 VanDerWaalsContact O-N 3.14Å; M100-Y103 PolarHBondContact O-N 2.88Å; M100-I104 VanDerWaalsContact O-CD1 3.31Å; M100-I104 WeakPolarHBondContact O-CD1 3.33Å; M100-I104 VanDerWaalsContact O-CG1 3.24Å; M100-I104 WeakPolarHBondContact O-CG1 3.37Å; M100-I104 PolarHBondContact O-N 3.2Å
101I98.9Very high98.6Very high0 Ų043.9 Ų43.90%022%0.218CC..Hα-helixtrans-58.8-53.2175.5-68.9162.8000110.5I73 L97 S98 Y103 I104 H105 M111 I114 L116 V155 N159 V161I73-I101 HydrophobicContact CD1-CG1 4.13Å; L97-I101 WeakPolarHBondContact O-CG1 3.48Å; L97-I101 PolarHBondContact O-N 3.29Å; S98-I101 PolarHBondContact O-N 3.35Å; I101-Y103 VanDerWaalsContact C-N 3.29Å; I101-Y103 PolarHBondContact O-N 2.87Å; I101-I104 PolarHBondContact O-N 3.17Å; I101-H105 WeakPolarHBondContact O-CB 3.14Å; I101-H105 PolarHBondContact O-N 3.21Å; I101-M111 HydrophobicContact CG2-CE 4.16Å; I101-M111 HydrophobicContact CG2-SD 3.72Å; I101-I114 HydrophobicContact CG1-CG2 4.28Å; I101-I114 HydrophobicContact CG2-CD1 4.35Å; I101-L116 HydrophobicContact CD1-CD1 4.03Å; I101-L116 HydrophobicContact CD1-CD2 4.06Å; I101-L116 HydrophobicContact CD1-CG 4.15Å; I101-L116 HydrophobicContact CG1-CD2 4.24Å; I101-V155 HydrophobicContact CD1-CG1 3.82Å; I101-N159 HydrophobicContact CD1-CB 3.98Å; I101-N159 HydrophobicContact CG2-CB 4.12Å; I101-V161 HydrophobicContact CD1-CG1 4.43Å; I101-V161 HydrophobicContact CD1-CG2 3.78Å; I101-V161 HydrophobicContact CG1-CG2 4.48Å; I101-V161 HydrophobicContact CG2-CG1 3.61Å
102D98.8Very high98.4Very high57 Ų5742.1 Ų42.131%0.30521%0.212SC..Hα-helixtrans-59.9-40.2178.7174.361.8000111.8S98 W99 H105 K106S98-D102 PolarHBondContact O-N 3.4Å; S98-D102 VanDerWaalsContact O-N 3.07Å; W99-D102 PolarHBondContact O-N 3.29Å; D102-H105 PolarHBondContact O-N 2.74Å; D102-K106 WeakPolarHBondContact O-CB 3.48Å; D102-K106 VanDerWaalsContact O-CG 3.3Å; D102-K106 WeakPolarHBondContact O-CG 3.44Å; D102-K106 PolarHBondContact O-N 2.93Å; D102-K106 VanDerWaalsContact OD1-CE 3.32Å; D102-K106 WeakPolarHBondContact OD1-CE 3.33Å; D102-K106 IonicContact OD1-NZ 2.7Å; D102-K106 VanDerWaalsContact OD2-CE 3.24Å; D102-K106 WeakPolarHBondContact OD2-CE 3.5Å; D102-K106 IonicContact OD2-NZ 3.86Å; D102-K106 PolarHBondContact OD2-NZ 2.78Å
103Y98.8Very high98.3Very high39 Ų3941.3 Ų41.315%0.15321%0.208CC..Hα-helixtrans-61.1-49175.8-173.2-100.4000112L55 P56 Y59 W99 M100 I101 H105 K106 L107L55-Y103 HydrophobicContact CB-CD1 4.46Å; L55-Y103 HydrophobicContact CD2-CD1 3.8Å; L55-Y103 HydrophobicContact CG-CD1 3.91Å; L55-Y103 HydrophobicContact CG-CE1 4.29Å; P56-Y103 VanDerWaalsContact CA-OH 3.22Å; P56-Y103 WeakPolarHBondContact CA-OH 3.43Å; P56-Y103 HydrophobicContact CB-CE1 4.23Å; P56-Y103 HydrophobicContact CB-CE2 4.22Å; P56-Y103 WeakPolarHBondContact CB-OH 3.19Å; P56-Y103 HydrophobicContact CG-CD2 4.47Å; P56-Y103 HydrophobicContact CG-CE1 4.01Å; P56-Y103 HydrophobicContact CG-CE2 3.92Å; Y59-Y103 PolarHBondContact O-OH 3.28Å; W99-Y103 HydrophobicContact CH2-CD1 4.47Å; W99-Y103 AromaticContact CH2-CD2 3.78Å; W99-Y103 HydrophobicContact CH2-CD2 3.78Å; W99-Y103 HydrophobicContact CH2-CE2 4.44Å; W99-Y103 AromaticContact CH2-CG 3.82Å; W99-Y103 HydrophobicContact CH2-CG 3.82Å; W99-Y103 HydrophobicContact CZ2-CD2 4.03Å; W99-Y103 HydrophobicContact CZ2-CG 4.39Å; W99-Y103 HydrophobicContact CZ3-CD2 4.45Å; W99-Y103 HydrophobicContact CZ3-CG 4.04Å; W99-Y103 WeakPolarHBondContact O-CB 3.16Å; W99-Y103 PolarHBondContact O-N 2.83Å; M100-Y103 PolarHBondContact O-N 2.88Å; I101-Y103 VanDerWaalsContact C-N 3.29Å; I101-Y103 PolarHBondContact O-N 2.87Å; Y103-H105 VanDerWaalsContact C-N 3.32Å; Y103-H105 PolarHBondContact O-N 2.74Å; Y103-K106 PolarHBondContact O-N 2.58Å; Y103-L107 HydrophobicContact CD1-CD1 4.21Å; Y103-L107 HydrophobicContact CE1-CD1 3.7Å; Y103-L107 HydrophobicContact CE1-CG 4.44Å; Y103-L107 WeakPolarHBondContact O-CG 3.49Å; Y103-L107 PolarHBondContact O-N 3.24Å
104I98.7Very high98.3Very high1 Ų141.3 Ų41.31%0.00521%0.208CC..Hα-helixtrans-63-41178.5-67.7157.1000110.6L55 L65 F71 I73 M100 I101 K106 L107 V109 I114L55-I104 HydrophobicContact CD2-CD1 4.06Å; L55-I104 HydrophobicContact CD2-CG1 3.91Å; L65-I104 HydrophobicContact CD1-CG2 4.38Å; F71-I104 HydrophobicContact CB-CG2 4.26Å; F71-I104 HydrophobicContact CD1-CD1 3.59Å; F71-I104 HydrophobicContact CD1-CG1 4.46Å; F71-I104 HydrophobicContact CD2-CG2 4.12Å; F71-I104 HydrophobicContact CE1-CD1 3.45Å; F71-I104 VanDerWaalsContact CE1-CD1 3.45Å; F71-I104 HydrophobicContact CE1-CG1 4.29Å; F71-I104 HydrophobicContact CE2-CD1 4.38Å; F71-I104 HydrophobicContact CE2-CG1 4.37Å; F71-I104 HydrophobicContact CG-CD1 4.15Å; F71-I104 HydrophobicContact CG-CG2 4.08Å; F71-I104 HydrophobicContact CZ-CD1 3.88Å; F71-I104 HydrophobicContact CZ-CG1 4.25Å; I73-I104 HydrophobicContact CD1-CD1 3.83Å; I73-I104 HydrophobicContact CG1-CD1 4.08Å; M100-I104 VanDerWaalsContact O-CD1 3.31Å; M100-I104 WeakPolarHBondContact O-CD1 3.33Å; M100-I104 VanDerWaalsContact O-CG1 3.24Å; M100-I104 WeakPolarHBondContact O-CG1 3.37Å; M100-I104 PolarHBondContact O-N 3.2Å; I101-I104 PolarHBondContact O-N 3.17Å; I104-K106 VanDerWaalsContact C-N 3.34Å; I104-K106 PolarHBondContact O-N 2.95Å; I104-L107 WeakPolarHBondContact O-CB 3.24Å; I104-L107 PolarHBondContact O-N 2.92Å; I104-V109 HydrophobicContact CG2-CB 3.69Å; I104-V109 HydrophobicContact CG2-CG1 4.08Å; I104-V109 HydrophobicContact CG2-CG2 3.8Å; I104-I114 HydrophobicContact CB-CD1 4.06Å; I104-I114 HydrophobicContact CG2-CD1 3.69Å; I104-I114 HydrophobicContact CG2-CG1 3.95Å
105H98.5Very high98.3Very high74 Ų7439.3 Ų39.334%0.34320%0.2SC..Hα-helixtrans-63.1-39.7178.1-175.453.9000112.6I101 D102 Y103 L107 D108 V109 M111 I114I101-H105 WeakPolarHBondContact O-CB 3.14Å; I101-H105 PolarHBondContact O-N 3.21Å; D102-H105 PolarHBondContact O-N 2.74Å; Y103-H105 VanDerWaalsContact C-N 3.32Å; Y103-H105 PolarHBondContact O-N 2.74Å; H105-L107 PolarHBondContact O-N 3.09Å; H105-L107 VanDerWaalsContact O-N 3.13Å; H105-D108 PolarHBondContact O-N 3.33Å; H105-V109 WeakPolarHBondContact CA-O 3.31Å; H105-V109 PolarHBondContact ND1-O 3.27Å; H105-M111 HydrophobicContact CB-CE 3.79Å; H105-M111 HydrophobicContact CB-SD 3.94Å; H105-I114 HydrophobicContact CB-CD1 4.22Å
106K98.4Very high98.3Very high126 Ų12636.6 Ų36.655%0.54818%0.181SC..Hα-helixtrans-62.5-16.6173.9-76.2168.1176166.80114D102 Y103 I104 D108D102-K106 WeakPolarHBondContact O-CB 3.48Å; D102-K106 VanDerWaalsContact O-CG 3.3Å; D102-K106 WeakPolarHBondContact O-CG 3.44Å; D102-K106 PolarHBondContact O-N 2.93Å; D102-K106 VanDerWaalsContact OD1-CE 3.32Å; D102-K106 WeakPolarHBondContact OD1-CE 3.33Å; D102-K106 IonicContact OD1-NZ 2.7Å; D102-K106 VanDerWaalsContact OD2-CE 3.24Å; D102-K106 WeakPolarHBondContact OD2-CE 3.5Å; D102-K106 IonicContact OD2-NZ 3.86Å; D102-K106 PolarHBondContact OD2-NZ 2.78Å; Y103-K106 PolarHBondContact O-N 2.58Å; I104-K106 VanDerWaalsContact C-N 3.34Å; I104-K106 PolarHBondContact O-N 2.95Å; K106-D108 VanDerWaalsContact C-N 3.26Å
107L98.4Very high98.3Very high14 Ų1436.4 Ų36.47%0.07318%0.18CC..THydrogen-bonded Turntrans-91.619.5173-56.4-179.3000112.8Y59 L65 Y103 I104 H105Y59-L107 VanDerWaalsContact O-CD1 3.28Å; Y59-L107 WeakPolarHBondContact O-CD1 3.1Å; L65-L107 HydrophobicContact CB-CB 4.49Å; L65-L107 HydrophobicContact CD1-CB 4.01Å; L65-L107 HydrophobicContact CD1-CD1 3.71Å; L65-L107 HydrophobicContact CG-CD1 4.41Å; Y103-L107 HydrophobicContact CD1-CD1 4.21Å; Y103-L107 HydrophobicContact CE1-CD1 3.7Å; Y103-L107 HydrophobicContact CE1-CG 4.44Å; Y103-L107 WeakPolarHBondContact O-CG 3.49Å; Y103-L107 PolarHBondContact O-N 3.24Å; I104-L107 WeakPolarHBondContact O-CB 3.24Å; I104-L107 PolarHBondContact O-N 2.92Å; H105-L107 PolarHBondContact O-N 3.09Å; H105-L107 VanDerWaalsContact O-N 3.13Å
108D97.9Very high98.3Very high104 Ų10436.4 Ų36.456%0.55618%0.18SC*.THydrogen-bonded Turntrans70.219.6177.6-59.7-24000115.6K62 H105 K106 P110K62-D108 WeakPolarHBondContact CD-OD2 3.16Å; K62-D108 WeakPolarHBondContact CE-OD1 3.37Å; K62-D108 VanDerWaalsContact CE-OD2 3.24Å; K62-D108 WeakPolarHBondContact CE-OD2 3.36Å; K62-D108 IonicContact NZ-OD1 2.76Å; K62-D108 PolarHBondContact NZ-OD1 3.26Å; K62-D108 IonicContact NZ-OD2 3.72Å; K62-D108 PolarHBondContact NZ-OD2 3.1Å; H105-D108 PolarHBondContact O-N 3.33Å; K106-D108 VanDerWaalsContact C-N 3.26Å; D108-P110 WeakPolarHBondContact O-CD 3.06Å
109V98Very high98.3Very high1 Ų134.8 Ų34.81%0.00617%0.169CC..  trans-82.3122.2166.6-175.80000109.1L65 C68 F71 I104 H105 H113 I114L65-V109 HydrophobicContact CB-CG2 4.16Å; L65-V109 HydrophobicContact CD1-CG2 3.94Å; C68-V109 HydrophobicContact CB-CG2 4.12Å; F71-V109 HydrophobicContact CB-CG1 4.38Å; I104-V109 HydrophobicContact CG2-CB 3.69Å; I104-V109 HydrophobicContact CG2-CG1 4.08Å; I104-V109 HydrophobicContact CG2-CG2 3.8Å; H105-V109 WeakPolarHBondContact CA-O 3.31Å; H105-V109 PolarHBondContact ND1-O 3.27Å; V109-H113 HydrophobicContact CG1-CB 4.21Å; V109-I114 HydrophobicContact CB-CG1 4.47Å; V109-I114 HydrophobicContact CG1-CD1 4.38Å; V109-I114 HydrophobicContact CG1-CG1 3.78Å
110P96.7Very high98.3Very high50 Ų5030.9 Ų30.933%0.32516%0.155SC..  trans-60.2145.3178.5-25.135.7000112.8D108 D112 H113 I114D108-P110 WeakPolarHBondContact O-CD 3.06Å; P110-D112 VanDerWaalsContact C-N 3.26Å; P110-D112 WeakPolarHBondContact CB-OD1 3.37Å; P110-D112 PolarHBondContact O-N 2.6Å; P110-H113 HydrophobicContact CB-CB 4.24Å; P110-H113 WeakPolarHBondContact O-CA 3.27Å; P110-H113 WeakPolarHBondContact O-CB 3.26Å; P110-H113 PolarHBondContact O-N 3.02Å; P110-I114 PolarHBondContact O-N 3.14Å
111M97.7Very high98.3Very high53 Ų5331 Ų3126%0.26116%0.155SC..G310 helixtrans-57.7-38.5-179.2-75.8-62.8-165.300112.7I101 H105 H113 I114 V161I101-M111 HydrophobicContact CG2-CE 4.16Å; I101-M111 HydrophobicContact CG2-SD 3.72Å; H105-M111 HydrophobicContact CB-CE 3.79Å; H105-M111 HydrophobicContact CB-SD 3.94Å; M111-H113 PolarHBondContact O-N 2.86Å; M111-I114 PolarHBondContact O-N 3.42Å; M111-I114 VanDerWaalsContact O-N 3.12Å; M111-I114 HydrophobicContact SD-CD1 4.29Å; M111-V161 HydrophobicContact CB-CG1 4.47Å; M111-V161 WeakPolarHBondContact O-CG1 3.42Å; M111-V161 HydrophobicContact SD-CG1 3.93Å
112D95.5Very high98.2Very high83 Ų8331.2 Ų31.244%0.44416%0.156SC..G310 helixtrans-73.2-9.1179.162.5-39.9000114P110 K205P110-D112 VanDerWaalsContact C-N 3.26Å; P110-D112 WeakPolarHBondContact CB-OD1 3.37Å; P110-D112 PolarHBondContact O-N 2.6Å; D112-K205 PolarHBondContact O-NZ 3.47Å; D112-K205 VanDerWaalsContact O-NZ 3.08Å
113H97Very high98.2Very high41 Ų4129.4 Ų29.419%0.1915%0.147CC..G310 helixtrans-100.6-0.7172.8-69.6-141.7000112.5K69 F70 F71 V109 P110 M111K69-H113 PolarHBondContact O-ND1 2.72Å; F70-H113 WeakPolarHBondContact CA-O 3.27Å; F70-H113 VanDerWaalsContact CD2-O 3.24Å; F70-H113 WeakPolarHBondContact CD2-O 3.42Å; F71-H113 PolarHBondContact N-O 3.29Å; V109-H113 HydrophobicContact CG1-CB 4.21Å; P110-H113 HydrophobicContact CB-CB 4.24Å; P110-H113 WeakPolarHBondContact O-CA 3.27Å; P110-H113 WeakPolarHBondContact O-CB 3.26Å; P110-H113 PolarHBondContact O-N 3.02Å; M111-H113 PolarHBondContact O-N 2.86Å
114I98.7Very high98Very high0 Ų031.1 Ų31.10%016%0.156CC..EExtended strand (participates in β ladder)trans-98.3139.8171.6-57.9168.8000107.8F71 I101 I104 H105 V109 P110 M111 V161 G162F71-I114 CarbonylContact O-C 3.49Å; F71-I114 VanDerWaalsContact O-CA 3.31Å; F71-I114 WeakPolarHBondContact O-CA 3.48Å; I101-I114 HydrophobicContact CG1-CG2 4.28Å; I101-I114 HydrophobicContact CG2-CD1 4.35Å; I104-I114 HydrophobicContact CB-CD1 4.06Å; I104-I114 HydrophobicContact CG2-CD1 3.69Å; I104-I114 HydrophobicContact CG2-CG1 3.95Å; H105-I114 HydrophobicContact CB-CD1 4.22Å; V109-I114 HydrophobicContact CB-CG1 4.47Å; V109-I114 HydrophobicContact CG1-CD1 4.38Å; V109-I114 HydrophobicContact CG1-CG1 3.78Å; P110-I114 PolarHBondContact O-N 3.14Å; M111-I114 PolarHBondContact O-N 3.42Å; M111-I114 VanDerWaalsContact O-N 3.12Å; M111-I114 HydrophobicContact SD-CD1 4.29Å; I114-V161 HydrophobicContact CB-CB 4.33Å; I114-V161 HydrophobicContact CB-CG1 3.98Å; I114-V161 HydrophobicContact CG2-CB 4.4Å; I114-V161 HydrophobicContact CG2-CG1 4.15Å; I114-V161 WeakPolarHBondContact O-CB 3.33Å; I114-G162 PolarHBondContact O-N 3.3Å
115S98.8Very high97.9Very high0 Ų037.7 Ų37.70%019%0.191CC..EExtended strand (participates in β ladder)trans-139.3142.9173.1-680000112.4F70 F71 T72 I73 G162F70-S115 WeakPolarHBondContact CZ-OG 3.42Å; F71-S115 PolarHBondContact O-N 3.41Å; T72-S115 CarbonylContact C-O 3.47Å; T72-S115 WeakPolarHBondContact CA-O 3.49Å; I73-S115 PolarHBondContact N-O 3.2Å; S115-G162 CarbonylContact C-O 3.05Å; S115-G162 VanDerWaalsContact CA-O 3.25Å; S115-G162 WeakPolarHBondContact CA-O 3.5Å; S115-G162 WeakPolarHBondContact OG-CA 3.5Å
116L98.9Very high97.8Very high0 Ų037.9 Ų37.90%019%0.191CC..EExtended strand (participates in β ladder)trans-94.9141.3168-61.8-170.4000110.1I73 L97 I101 V155 A156 V161 G162 F163 V164I73-L116 HydrophobicContact CB-CD2 3.7Å; I73-L116 HydrophobicContact CD1-CD2 3.83Å; I73-L116 HydrophobicContact CG1-CD2 4.26Å; I73-L116 HydrophobicContact CG2-CD2 4.37Å; L97-L116 HydrophobicContact CD1-CD1 4.16Å; I101-L116 HydrophobicContact CD1-CD1 4.03Å; I101-L116 HydrophobicContact CD1-CD2 4.06Å; I101-L116 HydrophobicContact CD1-CG 4.15Å; I101-L116 HydrophobicContact CG1-CD2 4.24Å; L116-V155 HydrophobicContact CD1-CB 4.03Å; L116-V155 HydrophobicContact CD1-CG1 3.75Å; L116-A156 HydrophobicContact CB-CB 4.44Å; L116-A156 HydrophobicContact CD1-CB 4.09Å; L116-A156 HydrophobicContact CG-CB 4.41Å; L116-V161 HydrophobicContact CG-CG2 4.2Å; L116-G162 PolarHBondContact N-O 2.76Å; L116-F163 HydrophobicContact CB-CD2 4.31Å; L116-F163 CarbonylContact O-C 3.44Å; L116-F163 WeakPolarHBondContact O-CA 3.24Å; L116-V164 PolarHBondContact O-N 3.09Å
117I98.9Very high97.8Very high0 Ų033 Ų330%017%0.169CC..EExtended strand (participates in β ladder)trans-114122.6170.8-51.8177000107.1T72 I73 F74 V164 L166 L198T72-I117 HydrophobicContact CG2-CD1 4.21Å; I73-I117 PolarHBondContact O-N 3.06Å; F74-I117 HydrophobicContact CB-CB 4.02Å; F74-I117 HydrophobicContact CB-CD1 4.18Å; F74-I117 HydrophobicContact CB-CG1 4.46Å; F74-I117 HydrophobicContact CD1-CB 4.46Å; F74-I117 HydrophobicContact CD1-CD1 4.25Å; F74-I117 HydrophobicContact CD1-CG2 4.26Å; F74-I117 HydrophobicContact CD2-CB 3.71Å; F74-I117 HydrophobicContact CD2-CG2 3.66Å; F74-I117 HydrophobicContact CE1-CG2 4.29Å; F74-I117 HydrophobicContact CE2-CB 4.28Å; F74-I117 HydrophobicContact CE2-CG2 3.7Å; F74-I117 HydrophobicContact CG-CB 3.82Å; F74-I117 HydrophobicContact CG-CD1 4.24Å; F74-I117 HydrophobicContact CG-CG2 3.96Å; F74-I117 HydrophobicContact CZ-CG2 4.03Å; I117-V164 HydrophobicContact CB-CB 4.44Å; I117-V164 HydrophobicContact CG1-CB 4.18Å; I117-V164 HydrophobicContact CG1-CG2 4.39Å; I117-V164 HydrophobicContact CG2-CB 4.22Å; I117-V164 HydrophobicContact CG2-CG1 4.27Å; I117-L166 HydrophobicContact CG2-CB 4.1Å; I117-L166 HydrophobicContact CG2-CD2 4.28Å; I117-L198 HydrophobicContact CD1-CD1 4.36Å; I117-L198 HydrophobicContact CD1-CD2 3.8Å
118S98.9Very high97.7Very high0 Ų032.4 Ų32.40%017%0.167CC..PPolyproline II helixtrans-66.3149.9174630000110.9F74 V164 N165 L166 Y167F74-S118 WeakPolarHBondContact CE2-O 3.45Å; S118-V164 PolarHBondContact N-O 2.97Å; S118-V164 PolarHBondContact OG-O 3.41Å; S118-N165 PolarHBondContact OG-OD1 3.3Å; S118-L166 PolarHBondContact OG-N 2.79Å; S118-Y167 PolarHBondContact OG-N 2.94Å
119L98.8Very high97.7Very high1 Ų130.3 Ų30.31%0.00516%0.164CC..PPolyproline II helixtrans-54.8146.6168.370.6170.3000111.4A77 A80 C145 A149 Y167A77-L119 HydrophobicContact CB-CB 4.24Å; A80-L119 HydrophobicContact CB-CD1 3.74Å; L119-C145 HydrophobicContact CD1-CB 4Å; L119-C145 HydrophobicContact CG-CB 4.43Å; L119-A149 HydrophobicContact CD2-CB 4.09Å; L119-Y167 WeakPolarHBondContact O-CB 3.44Å
120P98.6Very high97.6Very high5 Ų532.6 Ų32.63%0.03218%0.176CC..PPolyproline II helixtrans-69.3165.7172.432.2-36.2000111.2L13 L166 M170 F186L13-P120 VanDerWaalsContact CD1-CD 3.49Å; L13-P120 HydrophobicContact CD1-CG 3.83Å; P120-L166 HydrophobicContact CB-CD2 4.21Å; P120-L166 HydrophobicContact CB-CG 4.47Å; P120-M170 HydrophobicContact CB-CE 4.02Å; P120-M170 HydrophobicContact CB-SD 3.45Å; P120-M170 WeakPolarHBondContact CB-SD 3.35Å; P120-F186 HydrophobicContact CB-CE1 4.28Å; P120-F186 HydrophobicContact CB-CZ 4.43Å; P120-F186 HydrophobicContact CG-CE1 4.38Å; P120-F186 HydrophobicContact CG-CZ 4.25Å
121P98.6Very high97.6Very high2 Ų230.3 Ų30.31%0.01316%0.161CC..PPolyproline II helixtrans-61.9161.8163.232.1-38000110.8L142 Y167 M170 L171 W176 L180P121-L142 HydrophobicContact CB-CD1 3.54Å; P121-Y167 HydrophobicContact CB-CD2 4.05Å; P121-Y167 HydrophobicContact CB-CE2 3.81Å; P121-M170 HydrophobicContact CG-CB 3.78Å; P121-M170 HydrophobicContact CG-CE 3.9Å; P121-M170 HydrophobicContact CG-SD 4.46Å; P121-L171 HydrophobicContact CB-CD2 3.82Å; P121-L171 HydrophobicContact CB-CG 4.12Å; P121-L171 HydrophobicContact CG-CD2 4.04Å; P121-L171 HydrophobicContact CG-CG 4.19Å; P121-W176 HydrophobicContact CB-CE3 4.04Å; P121-W176 HydrophobicContact CB-CH2 3.98Å; P121-W176 HydrophobicContact CB-CZ3 3.69Å; P121-W176 HydrophobicContact CG-CD2 4.08Å; P121-W176 HydrophobicContact CG-CE3 3.44Å; P121-W176 VanDerWaalsContact CG-CE3 3.44Å; P121-W176 HydrophobicContact CG-CH2 4.3Å; P121-W176 HydrophobicContact CG-CZ3 3.57Å; P121-L180 WeakPolarHBondContact O-CD1 3.3Å
122I98.3Very high97.5Very high4 Ų433 Ų332%0.02118%0.175CC..  trans-111132.7177.5-174.487.4000109.8E124 W127 R140 L142 W176 G183 L184I122-E124 HydrophobicContact CG2-CG 4Å; I122-E124 PolarHBondContact O-N 3.41Å; I122-E124 VanDerWaalsContact O-N 3.17Å; I122-W127 HydrophobicContact CD1-CB 4.07Å; I122-W127 HydrophobicContact CD1-CG 4.02Å; I122-W127 HydrophobicContact CG1-CB 4.29Å; I122-R140 HydrophobicContact CD1-CB 4.09Å; I122-R140 HydrophobicContact CG1-CB 4.1Å; I122-L142 HydrophobicContact CG2-CB 4.21Å; I122-W176 WeakPolarHBondContact O-CH2 3.32Å; I122-G183 WeakPolarHBondContact CD1-O 3.25Å; I122-L184 HydrophobicContact CD1-CB 3.74Å; I122-L184 HydrophobicContact CD1-CD1 3.69Å; I122-L184 HydrophobicContact CD1-CG 4.27Å
123D98Very high97.6Very high20 Ų2033.3 Ų33.311%0.10719%0.189CC..  trans-79.991.4164175.9-7.4000108.1N125 K126 W127 W176 E177 L180 G183D123-N125 PolarHBondContact O-N 3.01Å; D123-N125 PolarHBondContact OD1-N 2.96Å; D123-K126 HydrophobicContact CB-CB 4.31Å; D123-K126 PolarHBondContact O-N 3.03Å; D123-K126 PolarHBondContact OD1-N 2.85Å; D123-K126 VanDerWaalsContact OD2-CB 3.26Å; D123-K126 WeakPolarHBondContact OD2-CB 3.44Å; D123-W127 WeakPolarHBondContact O-CB 3.4Å; D123-W127 PolarHBondContact O-N 2.95Å; D123-W176 HydrophobicContact CB-CH2 4.45Å; D123-W176 HydrophobicContact CB-CZ3 4.49Å; D123-E177 HydrophobicContact CB-CB 4.46Å; D123-E177 HydrophobicContact CB-CG 4.44Å; D123-L180 HydrophobicContact CB-CD1 4.35Å; D123-G183 PolarHBondContact N-O 3.44Å
124E95.4Very high97.5Very high75 Ų7537.7 Ų37.735%0.3521%0.207SC..Hα-helixtrans-57.2-35.4-177.6-66.4-170.7-178.300112.7I122 G128 K141 L142I122-E124 HydrophobicContact CG2-CG 4Å; I122-E124 PolarHBondContact O-N 3.41Å; I122-E124 VanDerWaalsContact O-N 3.17Å; E124-G128 VanDerWaalsContact O-CA 3.25Å; E124-G128 WeakPolarHBondContact O-CA 3.25Å; E124-G128 PolarHBondContact O-N 3.48Å; E124-K141 WeakPolarHBondContact OE1-CA 3.39Å; E124-K141 WeakPolarHBondContact OE1-CB 3.49Å; E124-L142 HydrophobicContact CG-CB 4.39Å; E124-L142 WeakPolarHBondContact OE1-CB 3.43Å; E124-L142 PolarHBondContact OE1-N 3.04Å
125N95.9Very high97.3Very high139 Ų13941.2 Ų41.274%0.74324%0.244SC*.Hα-helixtrans-67.9-50-177.5-68.8-42.2000110.1D123 A129D123-N125 PolarHBondContact O-N 3.01Å; D123-N125 PolarHBondContact OD1-N 2.96Å; N125-A129 VanDerWaalsContact O-CB 3.23Å; N125-A129 WeakPolarHBondContact O-CB 3.1Å; N125-A129 PolarHBondContact O-N 3.41Å
126K97.5Very high97Very high77 Ų7746.8 Ų46.834%0.33527%0.265SS..Hα-helixtrans-69.4-47.3-178.6-166.6-175-64.6172.10111.7D123 I130 L180 S181 D182D123-K126 HydrophobicContact CB-CB 4.31Å; D123-K126 PolarHBondContact O-N 3.03Å; D123-K126 PolarHBondContact OD1-N 2.85Å; D123-K126 VanDerWaalsContact OD2-CB 3.26Å; D123-K126 WeakPolarHBondContact OD2-CB 3.44Å; K126-I130 WeakPolarHBondContact O-CG1 3.42Å; K126-I130 PolarHBondContact O-N 2.83Å; K126-L180 PolarHBondContact NZ-O 2.97Å; K126-S181 WeakPolarHBondContact CD-O 3.24Å; K126-D182 CarbonylContact C-O 3.56Å; K126-D182 VanDerWaalsContact CD-C 3.5Å
127W97.1Very high96.6Very high23 Ų2350.1 Ų50.19%0.08729%0.292CS..Hα-helixtrans-67.4-45.6-179.8-174.8-104.3000111.5I122 D123 A129 I130 E131 D182 L184I122-W127 HydrophobicContact CD1-CB 4.07Å; I122-W127 HydrophobicContact CD1-CG 4.02Å; I122-W127 HydrophobicContact CG1-CB 4.29Å; D123-W127 WeakPolarHBondContact O-CB 3.4Å; D123-W127 PolarHBondContact O-N 2.95Å; W127-A129 VanDerWaalsContact C-N 3.33Å; W127-A129 PolarHBondContact O-N 2.76Å; W127-I130 WeakPolarHBondContact O-CB 3.43Å; W127-I130 PolarHBondContact O-N 2.97Å; W127-I130 VanDerWaalsContact O-N 3.11Å; W127-E131 PolarHBondContact NE1-OE1 2.76Å; W127-E131 PolarHBondContact NE1-OE2 2.92Å; W127-E131 WeakPolarHBondContact O-CG 3.46Å; W127-E131 PolarHBondContact O-N 2.86Å; W127-D182 WeakPolarHBondContact CA-O 3.37Å; W127-D182 HydrophobicContact CE3-CB 4.32Å; W127-D182 HydrophobicContact CZ3-CB 4.27Å; W127-D182 WeakPolarHBondContact CZ3-OD2 3.14Å; W127-D182 PolarHBondContact N-O 3.03Å; W127-L184 HydrophobicContact CD2-CB 3.79Å; W127-L184 HydrophobicContact CD2-CD2 4.27Å; W127-L184 HydrophobicContact CE3-CB 3.52Å; W127-L184 HydrophobicContact CE3-CD2 4.31Å; W127-L184 HydrophobicContact CG-CB 4.41Å; W127-L184 HydrophobicContact CH2-CB 4.32Å; W127-L184 HydrophobicContact CH2-CD2 3.66Å; W127-L184 HydrophobicContact CZ2-CD2 3.61Å; W127-L184 HydrophobicContact CZ3-CB 3.81Å; W127-L184 HydrophobicContact CZ3-CD2 4.03Å
128G96.1Very high96.4Very high3 Ų353.6 Ų53.63%0.03131%0.31CS..Hα-helixtrans-60.8-39.4178.300000112.6E124 I130 E131 I132E124-G128 VanDerWaalsContact O-CA 3.25Å; E124-G128 WeakPolarHBondContact O-CA 3.25Å; E124-G128 PolarHBondContact O-N 3.48Å; G128-I130 VanDerWaalsContact C-N 3.32Å; G128-I130 PolarHBondContact O-N 2.96Å; G128-E131 PolarHBondContact O-N 3.27Å; G128-E131 VanDerWaalsContact O-N 3.16Å; G128-I132 WeakPolarHBondContact O-CB 3.46Å; G128-I132 VanDerWaalsContact O-CG1 3.28Å; G128-I132 WeakPolarHBondContact O-CG1 3.49Å; G128-I132 PolarHBondContact O-N 3.4Å
129A97.4Very high96.2Very high59 Ų5954.2 Ų54.249%0.48831%0.314SS..Hα-helixtrans-60.3-40.5174.400000112.4N125 W127 E131 A133N125-A129 VanDerWaalsContact O-CB 3.23Å; N125-A129 WeakPolarHBondContact O-CB 3.1Å; N125-A129 PolarHBondContact O-N 3.41Å; W127-A129 VanDerWaalsContact C-N 3.33Å; W127-A129 PolarHBondContact O-N 2.76Å; A129-E131 VanDerWaalsContact C-N 3.33Å; A129-E131 PolarHBondContact O-N 2.9Å; A129-A133 VanDerWaalsContact O-CB 3.29Å; A129-A133 WeakPolarHBondContact O-CB 3.34Å; A129-A133 PolarHBondContact O-N 3.48Å
130I96.8Very high96.1Very high50 Ų5054.7 Ų54.726%0.25632%0.316SS..Hα-helixtrans-65.7-37.2175.9-66.5170.6000111.1K126 W127 G128 K134 D182K126-I130 WeakPolarHBondContact O-CG1 3.42Å; K126-I130 PolarHBondContact O-N 2.83Å; W127-I130 WeakPolarHBondContact O-CB 3.43Å; W127-I130 PolarHBondContact O-N 2.97Å; W127-I130 VanDerWaalsContact O-N 3.11Å; G128-I130 VanDerWaalsContact C-N 3.32Å; G128-I130 PolarHBondContact O-N 2.96Å; I130-K134 HydrophobicContact CG2-CD 4.23Å; I130-K134 WeakPolarHBondContact O-CG 3.48Å; I130-K134 PolarHBondContact O-N 2.99Å; I130-D182 HydrophobicContact CD1-CB 3.65Å; I130-D182 WeakPolarHBondContact CD1-O 3.48Å
131E95.8Very high95.9Very high2 Ų259.2 Ų59.21%0.00934%0.335CS..Hα-helixtrans-68.9-47.3177.5-67.2-171.2129.400112W127 G128 A129 A133 K134 G135 R136 I138 T139W127-E131 PolarHBondContact NE1-OE1 2.76Å; W127-E131 PolarHBondContact NE1-OE2 2.92Å; W127-E131 WeakPolarHBondContact O-CG 3.46Å; W127-E131 PolarHBondContact O-N 2.86Å; G128-E131 PolarHBondContact O-N 3.27Å; G128-E131 VanDerWaalsContact O-N 3.16Å; A129-E131 VanDerWaalsContact C-N 3.33Å; A129-E131 PolarHBondContact O-N 2.9Å; E131-A133 VanDerWaalsContact C-N 3.34Å; E131-A133 PolarHBondContact O-N 3.49Å; E131-K134 CarbonylContact O-C 3.54Å; E131-K134 WeakPolarHBondContact O-CA 3.29Å; E131-K134 PolarHBondContact O-N 2.88Å; E131-G135 PolarHBondContact O-N 3.12Å; E131-R136 CarbonylContact C-O 3.58Å; E131-R136 HydrophobicContact CB-CB 4.27Å; E131-R136 PolarHBondContact O-N 3.38Å; E131-I138 WeakPolarHBondContact OE2-CA 3.1Å; E131-T139 VanDerWaalsContact CD-OG1 3.31Å; E131-T139 WeakPolarHBondContact OE1-CB 3.45Å; E131-T139 WeakPolarHBondContact OE1-CG2 3.43Å; E131-T139 PolarHBondContact OE1-OG1 2.85Å; E131-T139 PolarHBondContact OE2-N 3.36Å; E131-T139 PolarHBondContact OE2-OG1 2.87Å
132I96.3Very high95.8Very high109 Ų10961.4 Ų61.456%0.55935%0.346SS*.Hα-helixtrans-60.1-44.8177.1-68.3165.2000110.6G128 K134 G135 I138G128-I132 WeakPolarHBondContact O-CB 3.46Å; G128-I132 VanDerWaalsContact O-CG1 3.28Å; G128-I132 WeakPolarHBondContact O-CG1 3.49Å; G128-I132 PolarHBondContact O-N 3.4Å; I132-K134 PolarHBondContact O-N 2.89Å; I132-K134 VanDerWaalsContact O-N 3.16Å; I132-G135 PolarHBondContact O-N 3.45Å; I132-I138 HydrophobicContact CD1-CD1 4.41Å; I132-I138 HydrophobicContact CD1-CG1 4.46Å
133A96.9Very high95.7Very high89 Ų8967.4 Ų67.474%0.73638%0.378SS*.Hα-helixtrans-60.9-24.8176.800000113.1A129 E131A129-A133 VanDerWaalsContact O-CB 3.29Å; A129-A133 WeakPolarHBondContact O-CB 3.34Å; A129-A133 PolarHBondContact O-N 3.48Å; E131-A133 VanDerWaalsContact C-N 3.34Å; E131-A133 PolarHBondContact O-N 3.49Å
134K95.2Very high95.6Very high134 Ų13468 Ų6858%0.58338%0.383SS*.THydrogen-bonded Turntrans-92.37174.6-70.2172.5178175.50113.2I130 E131 I132 R136I130-K134 HydrophobicContact CG2-CD 4.23Å; I130-K134 WeakPolarHBondContact O-CG 3.48Å; I130-K134 PolarHBondContact O-N 2.99Å; E131-K134 CarbonylContact O-C 3.54Å; E131-K134 WeakPolarHBondContact O-CA 3.29Å; E131-K134 PolarHBondContact O-N 2.88Å; I132-K134 PolarHBondContact O-N 2.89Å; I132-K134 VanDerWaalsContact O-N 3.16Å; K134-R136 VanDerWaalsContact C-N 3.29Å; K134-R136 HydrophobicContact CB-CG 4.29Å; K134-R136 VanDerWaalsContact CD-NH2 3.33Å; K134-R136 PolarHBondContact O-N 3.39Å
135G94.8Very high95.7Very high74 Ų7464.8 Ų64.876%0.76337%0.368SS*.THydrogen-bonded Turntrans68.525.3-177.300000113.9E131 I132E131-G135 PolarHBondContact O-N 3.12Å; I132-G135 PolarHBondContact O-N 3.45Å
136R92.1Very high95.8Very high116 Ų11659.6 Ų59.644%0.43835%0.345SS..  trans-106.3151.8-179.3-60.5-175-66.3175.18.9110.6E131 K134E131-R136 CarbonylContact C-O 3.58Å; E131-R136 HydrophobicContact CB-CB 4.27Å; E131-R136 PolarHBondContact O-N 3.38Å; K134-R136 VanDerWaalsContact C-N 3.29Å; K134-R136 HydrophobicContact CB-CG 4.29Å; K134-R136 VanDerWaalsContact CD-NH2 3.33Å; K134-R136 PolarHBondContact O-N 3.39Å
137A92.3Very high95.8Very high70 Ų7059.6 Ų59.658%0.57935%0.351SS*.  trans-67.2154.7169.300000110.6T139A137-T139 VanDerWaalsContact O-CG2 3.26Å; A137-T139 WeakPolarHBondContact O-CG2 3.3Å; A137-T139 PolarHBondContact O-N 3.46Å
138I93.7Very high95.9Very high73 Ų7358.8 Ų58.837%0.37435%0.348SS..  trans-64.3122.2171.6-62.1173.9000108.5V82 E131 I132V82-I138 WeakPolarHBondContact CG2-O 3.31Å; E131-I138 WeakPolarHBondContact OE2-CA 3.1Å; I132-I138 HydrophobicContact CD1-CD1 4.41Å; I132-I138 HydrophobicContact CD1-CG1 4.46Å
139T95.2Very high96Very high14 Ų1458.8 Ų58.89%0.08635%0.348CS..  trans-105.7-14.2-171.168.30000114.3C81 V82 T83 E131 A137C81-T139 CarbonylContact C-O 3.57Å; C81-T139 VanDerWaalsContact CA-O 3.22Å; C81-T139 WeakPolarHBondContact CA-O 3.24Å; C81-T139 PolarHBondContact SG-O 3.05Å; V82-T139 PolarHBondContact N-O 3.45Å; T83-T139 HydrophobicContact CG2-CG2 3.78Å; E131-T139 VanDerWaalsContact CD-OG1 3.31Å; E131-T139 WeakPolarHBondContact OE1-CB 3.45Å; E131-T139 WeakPolarHBondContact OE1-CG2 3.43Å; E131-T139 PolarHBondContact OE1-OG1 2.85Å; E131-T139 PolarHBondContact OE2-N 3.36Å; E131-T139 PolarHBondContact OE2-OG1 2.87Å; A137-T139 VanDerWaalsContact O-CG2 3.26Å; A137-T139 WeakPolarHBondContact O-CG2 3.3Å; A137-T139 PolarHBondContact O-N 3.46Å
140R95.5Very high96.1Very high11 Ų1159.6 Ų59.64%0.04235%0.347CS..  trans-133.9142.2-176.1-70.9166178.980.5-4.7110.1A77 N78 I122A77-R140 PolarHBondContact O-NE 2.96Å; A77-R140 VanDerWaalsContact O-NE 3.09Å; N78-R140 PolarHBondContact OD1-NH2 3.13Å; I122-R140 HydrophobicContact CD1-CB 4.09Å; I122-R140 HydrophobicContact CG1-CB 4.1Å
141K96Very high96.2Very high100 Ų10057.4 Ų57.444%0.43534%0.336SS..  trans-137.4141.9-178.4-61.3-175.3180-175.40110.8V82 E124 D143 T144 C145V82-K141 HydrophobicContact CG1-CD 4.21Å; V82-K141 HydrophobicContact CG1-CG 4.2Å; E124-K141 WeakPolarHBondContact OE1-CA 3.39Å; E124-K141 WeakPolarHBondContact OE1-CB 3.49Å; K141-D143 VanDerWaalsContact C-N 3.34Å; K141-D143 PolarHBondContact O-N 3.26Å; K141-T144 WeakPolarHBondContact O-CB 3.41Å; K141-T144 PolarHBondContact O-N 3.49Å; K141-C145 PolarHBondContact O-N 2.91Å; K141-C145 PolarHBondContact O-SG 3.16Å
142L96.3Very high96.4Very high47 Ų4757.4 Ų57.425%0.24634%0.336CS..Hα-helixtrans-58.5-44.4179.9-171.865.3000111.4P121 I122 E124 T144 C145 A146 Y167 W176P121-L142 HydrophobicContact CB-CD1 3.54Å; I122-L142 HydrophobicContact CG2-CB 4.21Å; E124-L142 HydrophobicContact CG-CB 4.39Å; E124-L142 WeakPolarHBondContact OE1-CB 3.43Å; E124-L142 PolarHBondContact OE1-N 3.04Å; L142-T144 VanDerWaalsContact C-N 3.25Å; L142-T144 PolarHBondContact O-N 3.43Å; L142-C145 WeakPolarHBondContact O-CA 3.41Å; L142-C145 WeakPolarHBondContact O-CB 3.28Å; L142-C145 PolarHBondContact O-N 3.41Å; L142-A146 PolarHBondContact O-N 3.3Å; L142-Y167 HydrophobicContact CD1-CE2 4.08Å; L142-Y167 PolarHBondContact O-OH 2.91Å; L142-W176 HydrophobicContact CD1-CH2 4.5Å
143D95.2Very high96.5Very high131 Ų13155.7 Ų55.770%0.70133%0.326SS*.Hα-helixtrans-61-35.5176-71.6-9.7000112.4K141 T147K141-D143 VanDerWaalsContact C-N 3.34Å; K141-D143 PolarHBondContact O-N 3.26Å; D143-T147 PolarHBondContact O-N 2.97Å; D143-T147 PolarHBondContact O-OG1 3.02Å
144T95.8Very high96.6Very high32 Ų3255.4 Ų55.420%0.19631%0.309CS..Hα-helixtrans-71.2-39.5175.3-49.80000110.1A80 K141 L142 A146 T147 Y148A80-T144 HydrophobicContact CB-CG2 4.16Å; A80-T144 WeakPolarHBondContact O-CG2 3.2Å; K141-T144 WeakPolarHBondContact O-CB 3.41Å; K141-T144 PolarHBondContact O-N 3.49Å; L142-T144 VanDerWaalsContact C-N 3.25Å; L142-T144 PolarHBondContact O-N 3.43Å; T144-A146 VanDerWaalsContact C-N 3.32Å; T144-A146 PolarHBondContact O-N 2.79Å; T144-T147 WeakPolarHBondContact O-CB 3.42Å; T144-T147 PolarHBondContact O-N 3.41Å; T144-Y148 HydrophobicContact CG2-CD2 4.11Å; T144-Y148 HydrophobicContact CG2-CE2 3.83Å; T144-Y148 WeakPolarHBondContact O-CD2 3.3Å; T144-Y148 PolarHBondContact O-N 3.43Å
145C97.8Very high96.7Very high7 Ų749.2 Ų49.25%0.04728%0.283CS..Hα-helixtrans-57.9-42175.1-66.20000112.8L119 K141 L142 T147 Y148 A149 Y167L119-C145 HydrophobicContact CD1-CB 4Å; L119-C145 HydrophobicContact CG-CB 4.43Å; K141-C145 PolarHBondContact O-N 2.91Å; K141-C145 PolarHBondContact O-SG 3.16Å; L142-C145 WeakPolarHBondContact O-CA 3.41Å; L142-C145 WeakPolarHBondContact O-CB 3.28Å; L142-C145 PolarHBondContact O-N 3.41Å; C145-T147 VanDerWaalsContact C-N 3.32Å; C145-T147 PolarHBondContact O-N 2.99Å; C145-Y148 PolarHBondContact O-N 3.18Å; C145-A149 WeakPolarHBondContact O-CB 3.45Å; C145-A149 PolarHBondContact O-N 3.25Å; C145-Y167 HydrophobicContact CB-CD2 4.12Å; C145-Y167 HydrophobicContact CB-CE2 3.61Å
146A97.9Very high96.9Very high31 Ų3145.7 Ų45.726%0.25625%0.247SC..Hα-helixtrans-56.6-45.7176.500000112.2L142 T144 Y148 A149 V150 Y167L142-A146 PolarHBondContact O-N 3.3Å; T144-A146 VanDerWaalsContact C-N 3.32Å; T144-A146 PolarHBondContact O-N 2.79Å; A146-Y148 VanDerWaalsContact C-N 3.34Å; A146-Y148 PolarHBondContact O-N 3.36Å; A146-A149 PolarHBondContact O-N 3.16Å; A146-V150 WeakPolarHBondContact O-CG2 3.22Å; A146-V150 PolarHBondContact O-N 2.97Å; A146-Y167 HydrophobicContact CB-CE1 4.07Å
147T98.4Very high97.3Very high76 Ų7645.1 Ų45.147%0.46625%0.252SS..Hα-helixtrans-57.5-44.8177.9-58.30000112V90 D143 T144 C145 A151V90-T147 HydrophobicContact CG2-CG2 4.17Å; D143-T147 PolarHBondContact O-N 2.97Å; D143-T147 PolarHBondContact O-OG1 3.02Å; T144-T147 WeakPolarHBondContact O-CB 3.42Å; T144-T147 PolarHBondContact O-N 3.41Å; C145-T147 VanDerWaalsContact C-N 3.32Å; C145-T147 PolarHBondContact O-N 2.99Å; T147-A151 WeakPolarHBondContact O-CB 3.49Å; T147-A151 PolarHBondContact O-N 3.03Å
148Y98.7Very high97.5Very high6 Ų647.2 Ų47.22%0.02426%0.257CS..Hα-helixtrans-74.8-30.4-179.9-77.1-102.9000112.6D79 A80 H87 V88 Y93 T144 C145 A146 A151 C152D79-Y148 HydrophobicContact CB-CD1 4.04Å; D79-Y148 HydrophobicContact CB-CE1 3.7Å; D79-Y148 PolarHBondContact O-OH 3.25Å; A80-Y148 HydrophobicContact CB-CD1 4.39Å; A80-Y148 HydrophobicContact CB-CD2 3.59Å; A80-Y148 HydrophobicContact CB-CE2 3.96Å; A80-Y148 HydrophobicContact CB-CG 3.84Å; H87-Y148 PolarHBondContact CE1-OH 3.26Å; V88-Y148 WeakPolarHBondContact O-CE1 3.29Å; V88-Y148 PolarHBondContact O-OH 3.03Å; Y93-Y148 AromaticContact CD1-CD1 3.72Å; Y93-Y148 HydrophobicContact CD1-CD1 3.72Å; Y93-Y148 HydrophobicContact CD1-CE1 4.24Å; Y93-Y148 HydrophobicContact CD2-CD1 4.02Å; Y93-Y148 HydrophobicContact CD2-CE1 4.32Å; Y93-Y148 AromaticContact CE1-CD1 3.99Å; Y93-Y148 HydrophobicContact CE1-CD1 3.99Å; Y93-Y148 HydrophobicContact CE2-CD1 4.29Å; Y93-Y148 AromaticContact CG-CD1 3.72Å; Y93-Y148 HydrophobicContact CG-CD1 3.72Å; Y93-Y148 AromaticContact CG-CE1 3.91Å; Y93-Y148 HydrophobicContact CG-CE1 3.91Å; T144-Y148 HydrophobicContact CG2-CD2 4.11Å; T144-Y148 HydrophobicContact CG2-CE2 3.83Å; T144-Y148 WeakPolarHBondContact O-CD2 3.3Å; T144-Y148 PolarHBondContact O-N 3.43Å; C145-Y148 PolarHBondContact O-N 3.18Å; A146-Y148 VanDerWaalsContact C-N 3.34Å; A146-Y148 PolarHBondContact O-N 3.36Å; Y148-A151 PolarHBondContact O-N 3.2Å; Y148-C152 VanDerWaalsContact O-CB 3.28Å; Y148-C152 WeakPolarHBondContact O-CB 3.35Å; Y148-C152 PolarHBondContact O-N 3.27Å
149A98.8Very high97.8Very high4 Ų445.3 Ų45.33%0.03325%0.248CC..Hα-helixtrans-65.2-44.3174.200000111.3L119 C145 A146 C152 Q153 Y167L119-A149 HydrophobicContact CD2-CB 4.09Å; C145-A149 WeakPolarHBondContact O-CB 3.45Å; C145-A149 PolarHBondContact O-N 3.25Å; A146-A149 PolarHBondContact O-N 3.16Å; A149-C152 WeakPolarHBondContact O-CB 3.47Å; A149-C152 PolarHBondContact O-N 2.99Å; A149-Q153 PolarHBondContact O-N 3.34Å; A149-Y167 HydrophobicContact CB-CD1 4.11Å; A149-Y167 HydrophobicContact CB-CD2 4.32Å; A149-Y167 HydrophobicContact CB-CG 3.76Å
150V98.8Very high97.9Very high76 Ų7653 Ų5346%0.46128%0.28SS..Hα-helixtrans-62.7-47.7174.1172.80000110.7A146 C152 Q153 E154A146-V150 WeakPolarHBondContact O-CG2 3.22Å; A146-V150 PolarHBondContact O-N 2.97Å; V150-C152 VanDerWaalsContact C-N 3.28Å; V150-C152 PolarHBondContact O-N 3.17Å; V150-Q153 WeakPolarHBondContact O-CB 3.37Å; V150-Q153 PolarHBondContact O-N 3.48Å; V150-Q153 VanDerWaalsContact O-N 3.1Å; V150-E154 HydrophobicContact CG1-CG 4.43Å; V150-E154 WeakPolarHBondContact O-CG 3.33Å; V150-E154 PolarHBondContact O-N 3.41Å
151A98.9Very high98.1Very high3 Ų353.1 Ų53.13%0.02528%0.282CS..Hα-helixtrans-59-38.5176.900000112.9V90 Y93 K94 T147 Y148 E154 V155V90-A151 HydrophobicContact CG2-CB 3.54Å; Y93-A151 HydrophobicContact CD1-CB 4.16Å; Y93-A151 HydrophobicContact CE1-CB 4.19Å; K94-A151 HydrophobicContact CD-CB 3.8Å; K94-A151 HydrophobicContact CG-CB 3.75Å; T147-A151 WeakPolarHBondContact O-CB 3.49Å; T147-A151 PolarHBondContact O-N 3.03Å; Y148-A151 PolarHBondContact O-N 3.2Å; A151-E154 PolarHBondContact O-N 3.27Å; A151-V155 WeakPolarHBondContact O-CG2 3.21Å; A151-V155 PolarHBondContact O-N 3.11Å; A151-V155 VanDerWaalsContact O-N 3.11Å
152C98.9Very high98.2Very high2 Ų249.1 Ų49.11%0.01427%0.27CS..Hα-helixtrans-62.9-44.2174.6-169.60000111.4Y93 Y148 A149 V150 V155 A156 F163Y93-C152 HydrophobicContact CE1-CB 4.2Å; Y93-C152 WeakPolarHBondContact OH-CB 3.39Å; Y148-C152 VanDerWaalsContact O-CB 3.28Å; Y148-C152 WeakPolarHBondContact O-CB 3.35Å; Y148-C152 PolarHBondContact O-N 3.27Å; A149-C152 WeakPolarHBondContact O-CB 3.47Å; A149-C152 PolarHBondContact O-N 2.99Å; V150-C152 VanDerWaalsContact C-N 3.28Å; V150-C152 PolarHBondContact O-N 3.17Å; C152-V155 PolarHBondContact O-N 3.32Å; C152-A156 PolarHBondContact O-N 2.95Å; C152-F163 HydrophobicContact CB-CE2 4.2Å
153Q98.9Very high98.3Very high73 Ų7349.2 Ų49.234%0.34127%0.268SS..Hα-helixtrans-62.1-44.6175.6-172170.93500112.3A149 V150 V155 A156 N157 F163A149-Q153 PolarHBondContact O-N 3.34Å; V150-Q153 WeakPolarHBondContact O-CB 3.37Å; V150-Q153 PolarHBondContact O-N 3.48Å; V150-Q153 VanDerWaalsContact O-N 3.1Å; Q153-V155 VanDerWaalsContact C-N 3.31Å; Q153-V155 PolarHBondContact O-N 2.96Å; Q153-A156 PolarHBondContact O-N 3.09Å; Q153-N157 VanDerWaalsContact O-CG 3.28Å; Q153-N157 PolarHBondContact O-N 2.89Å; Q153-N157 PolarHBondContact O-ND2 3.3Å; Q153-F163 HydrophobicContact CB-CD1 4.07Å; Q153-F163 HydrophobicContact CB-CE1 3.48Å; Q153-F163 VanDerWaalsContact CB-CE1 3.48Å; Q153-F163 HydrophobicContact CB-CE2 4.1Å; Q153-F163 HydrophobicContact CB-CZ 3.52Å; Q153-F163 HydrophobicContact CG-CD1 3.69Å; Q153-F163 HydrophobicContact CG-CE1 3.44Å; Q153-F163 VanDerWaalsContact CG-CE1 3.44Å; Q153-F163 HydrophobicContact CG-CG 4.43Å; Q153-F163 HydrophobicContact CG-CZ 4.04Å
154E98.9Very high98.5Very high83 Ų8343.6 Ų43.639%0.38824%0.238SC..Hα-helixtrans-56.7-45.9176.5-72.9177176.200111.3K94 V150 A151 N157 V158K94-E154 VanDerWaalsContact CE-OE2 3.3Å; K94-E154 WeakPolarHBondContact CE-OE2 3.23Å; K94-E154 IonicContact NZ-OE2 3.48Å; K94-E154 PolarHBondContact NZ-OE2 3.41Å; V150-E154 HydrophobicContact CG1-CG 4.43Å; V150-E154 WeakPolarHBondContact O-CG 3.33Å; V150-E154 PolarHBondContact O-N 3.41Å; A151-E154 PolarHBondContact O-N 3.27Å; E154-N157 PolarHBondContact O-N 3.05Å; E154-V158 WeakPolarHBondContact O-CB 3.29Å; E154-V158 VanDerWaalsContact O-CG2 3.28Å; E154-V158 WeakPolarHBondContact O-CG2 3.33Å; E154-V158 PolarHBondContact O-N 3.16Å
155V98.9Very high98.6Very high5 Ų543.7 Ų43.73%0.0324%0.237CC..Hα-helixtrans-62.3-44.6177.1173.10000111.3K94 L97 S98 I101 L116 A151 C152 Q153 N157 V158 N159K94-V155 HydrophobicContact CB-CG2 3.69Å; K94-V155 HydrophobicContact CG-CG2 3.77Å; L97-V155 HydrophobicContact CB-CG1 3.83Å; L97-V155 HydrophobicContact CB-CG2 4.48Å; S98-V155 WeakPolarHBondContact OG-CG1 3.41Å; I101-V155 HydrophobicContact CD1-CG1 3.82Å; L116-V155 HydrophobicContact CD1-CB 4.03Å; L116-V155 HydrophobicContact CD1-CG1 3.75Å; A151-V155 WeakPolarHBondContact O-CG2 3.21Å; A151-V155 PolarHBondContact O-N 3.11Å; A151-V155 VanDerWaalsContact O-N 3.11Å; C152-V155 PolarHBondContact O-N 3.32Å; Q153-V155 VanDerWaalsContact C-N 3.31Å; Q153-V155 PolarHBondContact O-N 2.96Å; V155-N157 VanDerWaalsContact C-N 3.32Å; V155-N157 PolarHBondContact O-N 2.9Å; V155-V158 PolarHBondContact O-N 3.45Å; V155-N159 WeakPolarHBondContact CG1-ND2 3.28Å; V155-N159 WeakPolarHBondContact O-CB 3.07Å; V155-N159 PolarHBondContact O-N 3.5Å; V155-N159 PolarHBondContact O-ND2 3.25Å
156A98.9Very high98.7Very high0 Ų043.3 Ų43.30%024%0.235CC..Hα-helixtrans-59.6-45.2179.100000111.3L116 C152 Q153 N159 K160 V161 F163L116-A156 HydrophobicContact CB-CB 4.44Å; L116-A156 HydrophobicContact CD1-CB 4.09Å; L116-A156 HydrophobicContact CG-CB 4.41Å; C152-A156 PolarHBondContact O-N 2.95Å; Q153-A156 PolarHBondContact O-N 3.09Å; A156-N159 PolarHBondContact O-N 3.39Å; A156-K160 WeakPolarHBondContact O-CA 3.44Å; A156-K160 PolarHBondContact O-N 2.88Å; A156-V161 HydrophobicContact CB-CG2 4.05Å; A156-V161 PolarHBondContact O-N 3.16Å; A156-V161 VanDerWaalsContact O-N 3.09Å; A156-F163 HydrophobicContact CB-CB 3.7Å; A156-F163 HydrophobicContact CB-CD2 4.09Å; A156-F163 HydrophobicContact CB-CG 4.11Å
157N98.7Very high98.7Very high104 Ų10443.2 Ų43.256%0.55623%0.228SC*.Hα-helixtrans-63.3-47.3178-70-19.3000112.2Q153 E154 V155 N159 K160Q153-N157 VanDerWaalsContact O-CG 3.28Å; Q153-N157 PolarHBondContact O-N 2.89Å; Q153-N157 PolarHBondContact O-ND2 3.3Å; E154-N157 PolarHBondContact O-N 3.05Å; V155-N157 VanDerWaalsContact C-N 3.32Å; V155-N157 PolarHBondContact O-N 2.9Å; N157-N159 VanDerWaalsContact C-N 3.33Å; N157-N159 PolarHBondContact O-N 3.02Å; N157-K160 PolarHBondContact O-N 3.07Å
158V98.5Very high98.7Very high113 Ų11344.6 Ų44.669%0.68523%0.23SC*.Hα-helixtrans-61.8-41.9-179.9167.70000111.4E154 V155E154-V158 WeakPolarHBondContact O-CB 3.29Å; E154-V158 VanDerWaalsContact O-CG2 3.28Å; E154-V158 WeakPolarHBondContact O-CG2 3.33Å; E154-V158 PolarHBondContact O-N 3.16Å; V155-V158 PolarHBondContact O-N 3.45Å
159N98.6Very high98.7Very high34 Ų3445.1 Ų45.118%0.18224%0.235CC..Hα-helixtrans-88.1-3.8-178.7-66.6-87.3000113.5S98 I101 V155 A156 N157 V161S98-N159 PolarHBondContact OG-ND2 2.89Å; I101-N159 HydrophobicContact CD1-CB 3.98Å; I101-N159 HydrophobicContact CG2-CB 4.12Å; V155-N159 WeakPolarHBondContact CG1-ND2 3.28Å; V155-N159 WeakPolarHBondContact O-CB 3.07Å; V155-N159 PolarHBondContact O-N 3.5Å; V155-N159 PolarHBondContact O-ND2 3.25Å; A156-N159 PolarHBondContact O-N 3.39Å; N157-N159 VanDerWaalsContact C-N 3.33Å; N157-N159 PolarHBondContact O-N 3.02Å; N159-V161 VanDerWaalsContact C-N 3.3Å; N159-V161 HydrophobicContact CB-CG1 4.38Å; N159-V161 PolarHBondContact O-N 2.52Å
160K98.2Very high98.7Very high175 Ų17545 Ų4576%0.76123%0.234SC*.THydrogen-bonded Turntrans56.541.1-179.8-53177.4-177.2177.50113.3A156 N157A156-K160 WeakPolarHBondContact O-CA 3.44Å; A156-K160 PolarHBondContact O-N 2.88Å; N157-K160 PolarHBondContact O-N 3.07Å
161V98.7Very high98.7Very high14 Ų1444.4 Ų44.49%0.08523%0.228CC..  trans-103166.8173.2-61.20000110.2I101 M111 I114 L116 A156 N159I101-V161 HydrophobicContact CD1-CG1 4.43Å; I101-V161 HydrophobicContact CD1-CG2 3.78Å; I101-V161 HydrophobicContact CG1-CG2 4.48Å; I101-V161 HydrophobicContact CG2-CG1 3.61Å; M111-V161 HydrophobicContact CB-CG1 4.47Å; M111-V161 WeakPolarHBondContact O-CG1 3.42Å; M111-V161 HydrophobicContact SD-CG1 3.93Å; I114-V161 HydrophobicContact CB-CB 4.33Å; I114-V161 HydrophobicContact CB-CG1 3.98Å; I114-V161 HydrophobicContact CG2-CB 4.4Å; I114-V161 HydrophobicContact CG2-CG1 4.15Å; I114-V161 WeakPolarHBondContact O-CB 3.33Å; L116-V161 HydrophobicContact CG-CG2 4.2Å; A156-V161 HydrophobicContact CB-CG2 4.05Å; A156-V161 PolarHBondContact O-N 3.16Å; A156-V161 VanDerWaalsContact O-N 3.09Å; N159-V161 VanDerWaalsContact C-N 3.3Å; N159-V161 HydrophobicContact CB-CG1 4.38Å; N159-V161 PolarHBondContact O-N 2.52Å
162G98.3Very high98.6Very high16 Ų1650.7 Ų50.717%0.16526%0.258CS..EExtended strand (participates in β ladder)trans-64.3154.9174.900000112.5I114 S115 L116I114-G162 PolarHBondContact O-N 3.3Å; S115-G162 CarbonylContact C-O 3.05Å; S115-G162 VanDerWaalsContact CA-O 3.25Å; S115-G162 WeakPolarHBondContact CA-O 3.5Å; S115-G162 WeakPolarHBondContact OG-CA 3.5Å; L116-G162 PolarHBondContact N-O 2.76Å
163F98.7Very high98.6Very high49 Ų4954.1 Ų54.122%0.21527%0.274CS..EExtended strand (participates in β ladder)trans-138.5128.4178.3179.8-121.6000111.1L116 C152 Q153 A156 N165L116-F163 HydrophobicContact CB-CD2 4.31Å; L116-F163 CarbonylContact O-C 3.44Å; L116-F163 WeakPolarHBondContact O-CA 3.24Å; C152-F163 HydrophobicContact CB-CE2 4.2Å; Q153-F163 HydrophobicContact CB-CD1 4.07Å; Q153-F163 HydrophobicContact CB-CE1 3.48Å; Q153-F163 VanDerWaalsContact CB-CE1 3.48Å; Q153-F163 HydrophobicContact CB-CE2 4.1Å; Q153-F163 HydrophobicContact CB-CZ 3.52Å; Q153-F163 HydrophobicContact CG-CD1 3.69Å; Q153-F163 HydrophobicContact CG-CE1 3.44Å; Q153-F163 VanDerWaalsContact CG-CE1 3.44Å; Q153-F163 HydrophobicContact CG-CG 4.43Å; Q153-F163 HydrophobicContact CG-CZ 4.04Å; A156-F163 HydrophobicContact CB-CB 3.7Å; A156-F163 HydrophobicContact CB-CD2 4.09Å; A156-F163 HydrophobicContact CB-CG 4.11Å; F163-N165 HydrophobicContact CD1-CB 4.2Å; F163-N165 HydrophobicContact CE1-CB 3.44Å; F163-N165 VanDerWaalsContact CE1-CB 3.44Å; F163-N165 HydrophobicContact CZ-CB 3.88Å
164V98.8Very high98.5Very high12 Ų1260 Ų607%0.07330%0.298CS..EExtended strand (participates in β ladder)trans-107.3108.9169.71790000108.2L116 I117 S118 L166 I197 L198 L201L116-V164 PolarHBondContact O-N 3.09Å; I117-V164 HydrophobicContact CB-CB 4.44Å; I117-V164 HydrophobicContact CG1-CB 4.18Å; I117-V164 HydrophobicContact CG1-CG2 4.39Å; I117-V164 HydrophobicContact CG2-CB 4.22Å; I117-V164 HydrophobicContact CG2-CG1 4.27Å; S118-V164 PolarHBondContact N-O 2.97Å; S118-V164 PolarHBondContact OG-O 3.41Å; V164-L166 PolarHBondContact O-N 2.97Å; V164-I197 HydrophobicContact CG1-CG2 3.59Å; V164-L198 HydrophobicContact CG2-CD2 4.37Å; V164-L201 HydrophobicContact CG2-CD2 3.57Å
165N98.7Very high98.3Very high34 Ų3460.6 Ų60.618%0.18231%0.305CS..  trans-79.970.1175.3-160.4-3.9000111.5S118 F163 Y167 E168 A169S118-N165 PolarHBondContact OG-OD1 3.3Å; F163-N165 HydrophobicContact CD1-CB 4.2Å; F163-N165 HydrophobicContact CE1-CB 3.44Å; F163-N165 VanDerWaalsContact CE1-CB 3.44Å; F163-N165 HydrophobicContact CZ-CB 3.88Å; N165-Y167 VanDerWaalsContact C-N 3.25Å; N165-Y167 PolarHBondContact O-N 3.14Å; N165-E168 HydrophobicContact CB-CB 4.41Å; N165-E168 VanDerWaalsContact ND2-CB 3.33Å; N165-E168 WeakPolarHBondContact ND2-CB 3.41Å; N165-E168 PolarHBondContact ND2-OE2 3.25Å; N165-E168 PolarHBondContact O-N 3.36Å; N165-E168 PolarHBondContact OD1-N 3.07Å; N165-A169 VanDerWaalsContact O-CB 3.27Å; N165-A169 WeakPolarHBondContact O-CB 3.38Å; N165-A169 PolarHBondContact O-N 3.44Å
166L98.8Very high98.3Very high0 Ų061.7 Ų61.70%031%0.308CS..Hα-helixtrans-62.1-35.8-179.6-176.461.3000112.1F74 I117 S118 P120 V164 E168 A169 M170 F186 F193 L194 I197F74-L166 HydrophobicContact CE1-CD2 4.34Å; F74-L166 HydrophobicContact CE2-CD2 4.12Å; F74-L166 HydrophobicContact CZ-CD2 3.51Å; I117-L166 HydrophobicContact CG2-CB 4.1Å; I117-L166 HydrophobicContact CG2-CD2 4.28Å; S118-L166 PolarHBondContact OG-N 2.79Å; P120-L166 HydrophobicContact CB-CD2 4.21Å; P120-L166 HydrophobicContact CB-CG 4.47Å; V164-L166 PolarHBondContact O-N 2.97Å; L166-E168 PolarHBondContact O-N 3.43Å; L166-A169 PolarHBondContact O-N 3.36Å; L166-M170 HydrophobicContact CD1-CG 3.88Å; L166-M170 HydrophobicContact CD1-SD 4.01Å; L166-M170 HydrophobicContact CD2-SD 4.43Å; L166-M170 HydrophobicContact CG-CG 4.25Å; L166-M170 HydrophobicContact CG-SD 3.98Å; L166-M170 WeakPolarHBondContact O-CB 3.44Å; L166-M170 WeakPolarHBondContact O-CG 3.21Å; L166-M170 PolarHBondContact O-N 2.96Å; L166-F186 HydrophobicContact CD2-CE1 4.42Å; L166-F186 HydrophobicContact CD2-CZ 3.83Å; L166-F193 HydrophobicContact CD1-CD1 4.42Å; L166-F193 HydrophobicContact CD1-CE1 4.32Å; L166-L194 HydrophobicContact CD1-CD1 4.01Å; L166-L194 HydrophobicContact CD2-CD1 4.03Å; L166-L194 HydrophobicContact CD2-CD2 4.5Å; L166-I197 HydrophobicContact CD1-CD1 4.27Å
167Y98.7Very high98.2Very high28 Ų2865.1 Ų65.111%0.1132%0.324CS..Hα-helixtrans-51.5-58.1176.4-176-98.3000111.8S118 L119 P121 L142 C145 A146 A149 N165 L171S118-Y167 PolarHBondContact OG-N 2.94Å; L119-Y167 WeakPolarHBondContact O-CB 3.44Å; P121-Y167 HydrophobicContact CB-CD2 4.05Å; P121-Y167 HydrophobicContact CB-CE2 3.81Å; L142-Y167 HydrophobicContact CD1-CE2 4.08Å; L142-Y167 PolarHBondContact O-OH 2.91Å; C145-Y167 HydrophobicContact CB-CD2 4.12Å; C145-Y167 HydrophobicContact CB-CE2 3.61Å; A146-Y167 HydrophobicContact CB-CE1 4.07Å; A149-Y167 HydrophobicContact CB-CD1 4.11Å; A149-Y167 HydrophobicContact CB-CD2 4.32Å; A149-Y167 HydrophobicContact CB-CG 3.76Å; N165-Y167 VanDerWaalsContact C-N 3.25Å; N165-Y167 PolarHBondContact O-N 3.14Å; Y167-L171 HydrophobicContact CD1-CD1 3.98Å; Y167-L171 HydrophobicContact CE1-CD1 3.35Å; Y167-L171 HydrophobicContact CE1-CG 4.47Å; Y167-L171 HydrophobicContact CE2-CD1 4.31Å; Y167-L171 WeakPolarHBondContact O-CG 3.42Å; Y167-L171 PolarHBondContact O-N 2.97Å; Y167-L171 VanDerWaalsContact O-N 3.16Å
168E98.4Very high98.2Very high106 Ų10662.4 Ų62.450%0.49531%0.313SS..Hα-helixtrans-70.3-40.8-179.1-171.6174.4-166.100111.8N165 L166 M170 L171 M172N165-E168 HydrophobicContact CB-CB 4.41Å; N165-E168 VanDerWaalsContact ND2-CB 3.33Å; N165-E168 WeakPolarHBondContact ND2-CB 3.41Å; N165-E168 PolarHBondContact ND2-OE2 3.25Å; N165-E168 PolarHBondContact O-N 3.36Å; N165-E168 PolarHBondContact OD1-N 3.07Å; L166-E168 PolarHBondContact O-N 3.43Å; E168-M170 PolarHBondContact O-N 3.42Å; E168-L171 PolarHBondContact O-N 3.37Å; E168-L171 VanDerWaalsContact O-N 3.16Å; E168-M172 HydrophobicContact CG-CE 4.35Å; E168-M172 WeakPolarHBondContact O-CG 3.36Å; E168-M172 PolarHBondContact O-N 3.44Å
169A98.6Very high98.2Very high17 Ų1757.5 Ų57.514%0.1428%0.283CS..Hα-helixtrans-56.3-39.917800000112.3N165 L166 Q173 F193 I197N165-A169 VanDerWaalsContact O-CB 3.27Å; N165-A169 WeakPolarHBondContact O-CB 3.38Å; N165-A169 PolarHBondContact O-N 3.44Å; L166-A169 PolarHBondContact O-N 3.36Å; A169-Q173 PolarHBondContact O-NE2 3.17Å; A169-F193 HydrophobicContact CB-CE1 4.08Å; A169-F193 HydrophobicContact CB-CZ 4.16Å; A169-F193 WeakPolarHBondContact O-CZ 3.39Å; A169-I197 HydrophobicContact CB-CD1 3.94Å
170M98.7Very high98.1Very high1 Ų156 Ų561%0.00528%0.275CS..Hα-helixtrans-70-50.3174.5-73.5-175.551.900111.6P120 P121 L166 E168 M172 Q173 W176 F179 L180 F186 F193P120-M170 HydrophobicContact CB-CE 4.02Å; P120-M170 HydrophobicContact CB-SD 3.45Å; P120-M170 WeakPolarHBondContact CB-SD 3.35Å; P121-M170 HydrophobicContact CG-CB 3.78Å; P121-M170 HydrophobicContact CG-CE 3.9Å; P121-M170 HydrophobicContact CG-SD 4.46Å; L166-M170 HydrophobicContact CD1-CG 3.88Å; L166-M170 HydrophobicContact CD1-SD 4.01Å; L166-M170 HydrophobicContact CD2-SD 4.43Å; L166-M170 HydrophobicContact CG-CG 4.25Å; L166-M170 HydrophobicContact CG-SD 3.98Å; L166-M170 WeakPolarHBondContact O-CB 3.44Å; L166-M170 WeakPolarHBondContact O-CG 3.21Å; L166-M170 PolarHBondContact O-N 2.96Å; E168-M170 PolarHBondContact O-N 3.42Å; M170-M172 PolarHBondContact O-N 3.39Å; M170-M172 VanDerWaalsContact O-N 3.14Å; M170-Q173 VanDerWaalsContact O-CB 3.31Å; M170-Q173 WeakPolarHBondContact O-CB 3.48Å; M170-Q173 PolarHBondContact O-N 2.95Å; M170-W176 HydrophobicContact CB-CB 4.42Å; M170-W176 HydrophobicContact CE-CE3 4.3Å; M170-W176 WeakPolarHBondContact O-CB 3.34Å; M170-F179 HydrophobicContact CE-CB 3.82Å; M170-F179 HydrophobicContact CE-CD2 3.99Å; M170-F179 HydrophobicContact CE-CG 4.43Å; M170-F179 HydrophobicContact CG-CD2 4.01Å; M170-F179 HydrophobicContact CG-CE2 4.47Å; M170-F179 HydrophobicContact SD-CD2 4.48Å; M170-L180 HydrophobicContact CE-CD1 4.47Å; M170-L180 HydrophobicContact CE-CD2 4Å; M170-L180 HydrophobicContact CE-CG 4.18Å; M170-F186 HydrophobicContact SD-CE1 4.06Å; M170-F193 HydrophobicContact CG-CD1 4.19Å; M170-F193 HydrophobicContact CG-CE1 3.95Å
171L98.1Very high98.1Very high64 Ų6450.4 Ų50.434%0.33526%0.258SS..Hα-helixtrans-60.7-25.5-178.4-72.3-178.3000114.1P121 Y167 E168 Q173 W176P121-L171 HydrophobicContact CB-CD2 3.82Å; P121-L171 HydrophobicContact CB-CG 4.12Å; P121-L171 HydrophobicContact CG-CD2 4.04Å; P121-L171 HydrophobicContact CG-CG 4.19Å; Y167-L171 HydrophobicContact CD1-CD1 3.98Å; Y167-L171 HydrophobicContact CE1-CD1 3.35Å; Y167-L171 HydrophobicContact CE1-CG 4.47Å; Y167-L171 HydrophobicContact CE2-CD1 4.31Å; Y167-L171 WeakPolarHBondContact O-CG 3.42Å; Y167-L171 PolarHBondContact O-N 2.97Å; Y167-L171 VanDerWaalsContact O-N 3.16Å; E168-L171 PolarHBondContact O-N 3.37Å; E168-L171 VanDerWaalsContact O-N 3.16Å; L171-Q173 PolarHBondContact O-N 3.27Å; L171-W176 HydrophobicContact CD2-CD2 4.04Å; L171-W176 HydrophobicContact CD2-CG 4.33Å; L171-W176 HydrophobicContact CD2-CZ2 4Å
172M98.3Very high98Very high134 Ų13451.5 Ų51.566%0.6626%0.263SS*.THydrogen-bonded Turntrans-68.7-12.1172.2-72.4-170.5-70.100113.8E168 M170E168-M172 HydrophobicContact CG-CE 4.35Å; E168-M172 WeakPolarHBondContact O-CG 3.36Å; E168-M172 PolarHBondContact O-N 3.44Å; M170-M172 PolarHBondContact O-N 3.39Å; M170-M172 VanDerWaalsContact O-N 3.14Å
173Q98.3Very high98Very high75 Ų7550.8 Ų50.835%0.3526%0.255SS..SBendtrans-90.1129.5177.2-51-54.2-54.700110.7A169 M170 L171 N175 W176 F179 F193A169-Q173 PolarHBondContact O-NE2 3.17Å; M170-Q173 VanDerWaalsContact O-CB 3.31Å; M170-Q173 WeakPolarHBondContact O-CB 3.48Å; M170-Q173 PolarHBondContact O-N 2.95Å; L171-Q173 PolarHBondContact O-N 3.27Å; Q173-N175 PolarHBondContact O-N 3.16Å; Q173-W176 HydrophobicContact CB-CB 4.27Å; Q173-W176 PolarHBondContact O-N 3.42Å; Q173-F179 HydrophobicContact CB-CE2 3.97Å; Q173-F179 HydrophobicContact CB-CZ 3.98Å; Q173-F179 HydrophobicContact CG-CE2 3.65Å; Q173-F179 HydrophobicContact CG-CZ 3.82Å; Q173-F193 HydrophobicContact CG-CD2 4.46Å; Q173-F193 HydrophobicContact CG-CE2 3.75Å; Q173-F193 HydrophobicContact CG-CZ 3.92Å
174K95.8Very high97.9Very high195 Ų19548.9 Ų48.985%0.84825%0.247SC*.THydrogen-bonded Turntrans-53.9-30.1-176.2-175.9175178.1178.70115.2
175N95.7Very high97.9Very high97 Ų9749.5 Ų49.552%0.51925%0.249SC..THydrogen-bonded Turntrans-128.646.5-176.6-63-33.4000110.4Q173 E177 S178Q173-N175 PolarHBondContact O-N 3.16Å; N175-E177 PolarHBondContact O-N 3.08Å; N175-S178 WeakPolarHBondContact O-CB 3.33Å; N175-S178 PolarHBondContact O-N 2.88Å; N175-S178 VanDerWaalsContact O-N 3.1Å; N175-S178 PolarHBondContact O-OG 3.43Å
176W98Very high97.9Very high27 Ų2748.2 Ų48.210%0.10224%0.242CC..G310 helixtrans-63.1-25.8-17468.1-93.6000112.9P121 I122 D123 L142 M170 L171 Q173 S178 F179 L180P121-W176 HydrophobicContact CB-CE3 4.04Å; P121-W176 HydrophobicContact CB-CH2 3.98Å; P121-W176 HydrophobicContact CB-CZ3 3.69Å; P121-W176 HydrophobicContact CG-CD2 4.08Å; P121-W176 HydrophobicContact CG-CE3 3.44Å; P121-W176 VanDerWaalsContact CG-CE3 3.44Å; P121-W176 HydrophobicContact CG-CH2 4.3Å; P121-W176 HydrophobicContact CG-CZ3 3.57Å; I122-W176 WeakPolarHBondContact O-CH2 3.32Å; D123-W176 HydrophobicContact CB-CH2 4.45Å; D123-W176 HydrophobicContact CB-CZ3 4.49Å; L142-W176 HydrophobicContact CD1-CH2 4.5Å; M170-W176 HydrophobicContact CB-CB 4.42Å; M170-W176 HydrophobicContact CE-CE3 4.3Å; M170-W176 WeakPolarHBondContact O-CB 3.34Å; L171-W176 HydrophobicContact CD2-CD2 4.04Å; L171-W176 HydrophobicContact CD2-CG 4.33Å; L171-W176 HydrophobicContact CD2-CZ2 4Å; Q173-W176 HydrophobicContact CB-CB 4.27Å; Q173-W176 PolarHBondContact O-N 3.42Å; W176-S178 PolarHBondContact O-N 2.81Å; W176-F179 HydrophobicContact CB-CD2 4.45Å; W176-F179 WeakPolarHBondContact O-CA 3.47Å; W176-F179 WeakPolarHBondContact O-CB 3.34Å; W176-F179 WeakPolarHBondContact O-CG 3.34Å; W176-F179 PolarHBondContact O-N 3.42Å; W176-L180 HydrophobicContact CE3-CD1 4.38Å; W176-L180 HydrophobicContact CZ3-CD1 3.86Å
177E98.1Very high97.9Very high72 Ų7249.2 Ų49.234%0.33625%0.249SC..G310 helixtrans-61.1-29.2175.9-5786.1163.900111.2D123 N175 F179 L180D123-E177 HydrophobicContact CB-CB 4.46Å; D123-E177 HydrophobicContact CB-CG 4.44Å; N175-E177 PolarHBondContact O-N 3.08Å; E177-F179 PolarHBondContact O-N 3.04Å; E177-L180 PolarHBondContact O-N 3.44Å
178S97.6Very high97.8Very high47 Ų4752.8 Ų52.833%0.32926%0.263SS..G310 helixtrans-67.2-13173.473.20000113.4N175 W176 S187 K189N175-S178 WeakPolarHBondContact O-CB 3.33Å; N175-S178 PolarHBondContact O-N 2.88Å; N175-S178 VanDerWaalsContact O-N 3.1Å; N175-S178 PolarHBondContact O-OG 3.43Å; W176-S178 PolarHBondContact O-N 2.81Å; S178-S187 PolarHBondContact O-OG 2.67Å; S178-K189 PolarHBondContact OG-NZ 3.11Å
179F98.4Very high97.7Very high11 Ų1152.6 Ų52.65%0.04826%0.26CS..G310 helixtrans-76.5-13.8172.8-62.1-11.4000112.1M170 Q173 W176 E177 F186 S187 K189 G190 F193M170-F179 HydrophobicContact CE-CB 3.82Å; M170-F179 HydrophobicContact CE-CD2 3.99Å; M170-F179 HydrophobicContact CE-CG 4.43Å; M170-F179 HydrophobicContact CG-CD2 4.01Å; M170-F179 HydrophobicContact CG-CE2 4.47Å; M170-F179 HydrophobicContact SD-CD2 4.48Å; Q173-F179 HydrophobicContact CB-CE2 3.97Å; Q173-F179 HydrophobicContact CB-CZ 3.98Å; Q173-F179 HydrophobicContact CG-CE2 3.65Å; Q173-F179 HydrophobicContact CG-CZ 3.82Å; W176-F179 HydrophobicContact CB-CD2 4.45Å; W176-F179 WeakPolarHBondContact O-CA 3.47Å; W176-F179 WeakPolarHBondContact O-CB 3.34Å; W176-F179 WeakPolarHBondContact O-CG 3.34Å; W176-F179 PolarHBondContact O-N 3.42Å; E177-F179 PolarHBondContact O-N 3.04Å; F179-F186 WeakPolarHBondContact O-CA 3.43Å; F179-S187 VanDerWaalsContact C-OG 3.26Å; F179-S187 WeakPolarHBondContact CA-OG 3.27Å; F179-S187 PolarHBondContact O-N 2.93Å; F179-S187 PolarHBondContact O-OG 2.89Å; F179-K189 HydrophobicContact CD1-CB 4.33Å; F179-K189 HydrophobicContact CD1-CD 3.95Å; F179-K189 HydrophobicContact CD1-CG 3.87Å; F179-K189 HydrophobicContact CE1-CD 3.9Å; F179-K189 HydrophobicContact CE1-CG 3.85Å; F179-G190 VanDerWaalsContact CB-CA 3.45Å; F179-G190 WeakPolarHBondContact O-CA 3.34Å; F179-F193 HydrophobicContact CD2-CB 4.37Å; F179-F193 HydrophobicContact CD2-CD1 4.21Å; F179-F193 HydrophobicContact CD2-CG 4.21Å; F179-F193 HydrophobicContact CE2-CB 4.02Å; F179-F193 AromaticContact CE2-CD1 3.81Å; F179-F193 HydrophobicContact CE2-CD1 3.81Å; F179-F193 AromaticContact CE2-CD2 3.75Å; F179-F193 HydrophobicContact CE2-CD2 3.75Å; F179-F193 HydrophobicContact CE2-CE1 4.18Å; F179-F193 HydrophobicContact CE2-CE2 4.17Å; F179-F193 AromaticContact CE2-CG 3.57Å; F179-F193 HydrophobicContact CE2-CG 3.57Å; F179-F193 HydrophobicContact CE2-CZ 4.37Å; F179-F193 HydrophobicContact CZ-CB 4.15Å; F179-F193 AromaticContact CZ-CD2 3.8Å; F179-F193 HydrophobicContact CZ-CD2 3.8Å; F179-F193 HydrophobicContact CZ-CE2 4.39Å; F179-F193 AromaticContact CZ-CG 3.94Å; F179-F193 HydrophobicContact CZ-CG 3.94Å
180L98.2Very high97.7Very high2 Ų251.8 Ų51.81%0.0125%0.254CS..BIsolated β-bridgetrans-110.9126.5-177.8-54.3175.4000110.8P121 D123 K126 M170 W176 E177 G183 H185 F186P121-L180 WeakPolarHBondContact O-CD1 3.3Å; D123-L180 HydrophobicContact CB-CD1 4.35Å; K126-L180 PolarHBondContact NZ-O 2.97Å; M170-L180 HydrophobicContact CE-CD1 4.47Å; M170-L180 HydrophobicContact CE-CD2 4Å; M170-L180 HydrophobicContact CE-CG 4.18Å; W176-L180 HydrophobicContact CE3-CD1 4.38Å; W176-L180 HydrophobicContact CZ3-CD1 3.86Å; E177-L180 PolarHBondContact O-N 3.44Å; L180-G183 VanDerWaalsContact CD1-O 3.27Å; L180-G183 WeakPolarHBondContact CD1-O 3.5Å; L180-H185 CarbonylContact C-O 3.56Å; L180-H185 VanDerWaalsContact CA-O 3.24Å; L180-H185 WeakPolarHBondContact CA-O 3.38Å; L180-F186 HydrophobicContact CD2-CD1 4.08Å; L180-F186 HydrophobicContact CD2-CE1 4.31Å
181S97Very high97.7Very high58 Ų5851.8 Ų51.841%0.40625%0.254SS..SBendtrans-72.2-52.1-177.453.10000111.3K126 H185 F186K126-S181 WeakPolarHBondContact CD-O 3.24Å; S181-H185 PolarHBondContact N-O 3.3Å; S181-H185 PolarHBondContact OG-O 3.29Å; S181-H185 VanDerWaalsContact OG-O 3.13Å; S181-F186 PolarHBondContact OG-O 3.38Å
182D96.8Very high97.7Very high37 Ų3752.6 Ų52.620%0.19826%0.256CS..SBendtrans-108.22.5179.361.810.1000113.3K126 W127 I130 L184 H185K126-D182 CarbonylContact C-O 3.56Å; K126-D182 VanDerWaalsContact CD-C 3.5Å; W127-D182 WeakPolarHBondContact CA-O 3.37Å; W127-D182 HydrophobicContact CE3-CB 4.32Å; W127-D182 HydrophobicContact CZ3-CB 4.27Å; W127-D182 WeakPolarHBondContact CZ3-OD2 3.14Å; W127-D182 PolarHBondContact N-O 3.03Å; I130-D182 HydrophobicContact CD1-CB 3.65Å; I130-D182 WeakPolarHBondContact CD1-O 3.48Å; D182-L184 PolarHBondContact OD1-N 3.38Å; D182-H185 IonicContact OD1-CG 3.57Å; D182-H185 PolarHBondContact OD1-N 3.22Å; D182-H185 IonicContact OD1-ND1 3.72Å; D182-H185 PolarHBondContact OD1-ND1 3.06Å; D182-H185 IonicContact OD2-CE1 3.48Å; D182-H185 IonicContact OD2-CG 2.64Å; D182-H185 IonicContact OD2-ND1 2.81Å; D182-H185 PolarHBondContact OD2-ND1 3.24Å
183G97.8Very high97.7Very high0 Ų047 Ų470%023%0.228CC..SBendtrans96.4-4.9-178.700000113.9I122 D123 L180I122-G183 WeakPolarHBondContact CD1-O 3.25Å; D123-G183 PolarHBondContact N-O 3.44Å; L180-G183 VanDerWaalsContact CD1-O 3.27Å; L180-G183 WeakPolarHBondContact CD1-O 3.5Å
184L97.9Very high97.7Very high9 Ų943.4 Ų43.45%0.04721%0.211CC..SBendtrans-125-50.1174174.859.5000112.2L13 A77 I122 W127 D182L13-L184 WeakPolarHBondContact CD2-O 3.5Å; A77-L184 HydrophobicContact CB-CD1 4.28Å; I122-L184 HydrophobicContact CD1-CB 3.74Å; I122-L184 HydrophobicContact CD1-CD1 3.69Å; I122-L184 HydrophobicContact CD1-CG 4.27Å; W127-L184 HydrophobicContact CD2-CB 3.79Å; W127-L184 HydrophobicContact CD2-CD2 4.27Å; W127-L184 HydrophobicContact CE3-CB 3.52Å; W127-L184 HydrophobicContact CE3-CD2 4.31Å; W127-L184 HydrophobicContact CG-CB 4.41Å; W127-L184 HydrophobicContact CH2-CB 4.32Å; W127-L184 HydrophobicContact CH2-CD2 3.66Å; W127-L184 HydrophobicContact CZ2-CD2 3.61Å; W127-L184 HydrophobicContact CZ3-CB 3.81Å; W127-L184 HydrophobicContact CZ3-CD2 4.03Å; D182-L184 PolarHBondContact OD1-N 3.38Å
185H98.2Very high97.8Very high25 Ų2534.1 Ų34.112%0.11617%0.171CC..SBendtrans-89.3152.9-177.7-57.7101.8000111.6S12 F16 L180 S181 D182S12-H185 VanDerWaalsContact CB-NE2 3.29Å; S12-H185 WeakPolarHBondContact CB-NE2 3.46Å; S12-H185 PolarHBondContact OG-CD2 3.01Å; S12-H185 PolarHBondContact OG-NE2 3.36Å; F16-H185 HydrophobicContact CD2-CB 4.4Å; F16-H185 AromaticContact CD2-CD2 3.58Å; F16-H185 AromaticContact CD2-CG 3.97Å; F16-H185 AromaticContact CE2-CD2 3.61Å; F16-H185 AromaticContact CE2-NE2 3.64Å; L180-H185 CarbonylContact C-O 3.56Å; L180-H185 VanDerWaalsContact CA-O 3.24Å; L180-H185 WeakPolarHBondContact CA-O 3.38Å; S181-H185 PolarHBondContact N-O 3.3Å; S181-H185 PolarHBondContact OG-O 3.29Å; S181-H185 VanDerWaalsContact OG-O 3.13Å; D182-H185 IonicContact OD1-CG 3.57Å; D182-H185 PolarHBondContact OD1-N 3.22Å; D182-H185 IonicContact OD1-ND1 3.72Å; D182-H185 PolarHBondContact OD1-ND1 3.06Å; D182-H185 IonicContact OD2-CE1 3.48Å; D182-H185 IonicContact OD2-CG 2.64Å; D182-H185 IonicContact OD2-ND1 2.81Å; D182-H185 PolarHBondContact OD2-ND1 3.24Å
186F98.4Very high97.9Very high8 Ų836.5 Ų36.54%0.03517%0.172CC..BIsolated β-bridgetrans-64.3141-179.1-62.3-58.1000112.5L13 F74 P120 L166 M170 F179 L180 S181 S191 L194L13-F186 HydrophobicContact CB-CE2 4.08Å; L13-F186 HydrophobicContact CD2-CD2 4.06Å; L13-F186 HydrophobicContact CD2-CE2 3.82Å; L13-F186 HydrophobicContact CD2-CZ 4.21Å; L13-F186 HydrophobicContact CG-CE2 4.42Å; F74-F186 HydrophobicContact CE1-CE2 4.07Å; F74-F186 HydrophobicContact CE1-CZ 4.35Å; F74-F186 HydrophobicContact CZ-CE2 4.22Å; F74-F186 HydrophobicContact CZ-CZ 4.08Å; P120-F186 HydrophobicContact CB-CE1 4.28Å; P120-F186 HydrophobicContact CB-CZ 4.43Å; P120-F186 HydrophobicContact CG-CE1 4.38Å; P120-F186 HydrophobicContact CG-CZ 4.25Å; L166-F186 HydrophobicContact CD2-CE1 4.42Å; L166-F186 HydrophobicContact CD2-CZ 3.83Å; M170-F186 HydrophobicContact SD-CE1 4.06Å; F179-F186 WeakPolarHBondContact O-CA 3.43Å; L180-F186 HydrophobicContact CD2-CD1 4.08Å; L180-F186 HydrophobicContact CD2-CE1 4.31Å; S181-F186 PolarHBondContact OG-O 3.38Å; F186-S191 WeakPolarHBondContact CB-OG 3.47Å; F186-L194 HydrophobicContact CD2-CD2 4.45Å; F186-L194 HydrophobicContact CE2-CD2 3.69Å; F186-L194 HydrophobicContact CZ-CD2 3.99Å
187S97.9Very high98Very high21 Ų2137 Ų3715%0.14718%0.177CC..PPolyproline II helixtrans-83.1172.4154.771.30000109.6E21 S178 F179 K189 G190 S191E21-S187 CarbonylContact O-C 3.54Å; S178-S187 PolarHBondContact O-OG 2.67Å; F179-S187 VanDerWaalsContact C-OG 3.26Å; F179-S187 WeakPolarHBondContact CA-OG 3.27Å; F179-S187 PolarHBondContact O-N 2.93Å; F179-S187 PolarHBondContact O-OG 2.89Å; S187-K189 PolarHBondContact O-N 3.05Å; S187-K189 PolarHBondContact OG-N 3.4Å; S187-G190 PolarHBondContact O-N 3.34Å; S187-G190 PolarHBondContact OG-N 3.31Å; S187-S191 PolarHBondContact O-N 2.89Å; S187-S191 PolarHBondContact O-OG 3.1Å
188R97.5Very high98Very high103 Ų10333.6 Ų33.639%0.38916%0.161SC..Hα-helixtrans-52.8-42.8175-179.460.5-174.4-163.24.1112.9E21 S191 E192E21-R188 WeakPolarHBondContact O-CA 3.15Å; E21-R188 PolarHBondContact O-N 3.02Å; R188-S191 PolarHBondContact O-N 3.44Å; R188-E192 IonicContact CZ-OE1 2.74Å; R188-E192 IonicContact NE-OE1 3.93Å; R188-E192 PolarHBondContact NE-OE1 2.94Å; R188-E192 IonicContact NH2-OE1 3.48Å; R188-E192 PolarHBondContact NH2-OE1 3.39Å; R188-E192 WeakPolarHBondContact O-CG 3.28Å; R188-E192 PolarHBondContact O-N 3.48Å
189K97.3Very high98Very high101 Ų10134 Ų3444%0.43916%0.157SC..Hα-helixtrans-65.9-39179.9-168.1-175.4-178-163.90112S178 F179 S187 F193S178-K189 PolarHBondContact OG-NZ 3.11Å; F179-K189 HydrophobicContact CD1-CB 4.33Å; F179-K189 HydrophobicContact CD1-CD 3.95Å; F179-K189 HydrophobicContact CD1-CG 3.87Å; F179-K189 HydrophobicContact CE1-CD 3.9Å; F179-K189 HydrophobicContact CE1-CG 3.85Å; S187-K189 PolarHBondContact O-N 3.05Å; S187-K189 PolarHBondContact OG-N 3.4Å; K189-F193 PolarHBondContact O-N 3.34Å; K189-F193 VanDerWaalsContact O-N 3.07Å
190G98.2Very high97.9Very high1 Ų140.2 Ų40.21%0.0119%0.187CC..Hα-helixtrans-67-40.6174.400000112.3F179 S187 F193 L194F179-G190 VanDerWaalsContact CB-CA 3.45Å; F179-G190 WeakPolarHBondContact O-CA 3.34Å; S187-G190 PolarHBondContact O-N 3.34Å; S187-G190 PolarHBondContact OG-N 3.31Å; G190-F193 WeakPolarHBondContact O-CB 3.45Å; G190-F193 PolarHBondContact O-N 3.37Å; G190-L194 PolarHBondContact O-N 3.45Å
191S98Very high97.8Very high0 Ų041.5 Ų41.50%019%0.194CC..Hα-helixtrans-63.7-41.1175.9-66.30000112.8E21 G22 W24 F186 S187 R188 F193 L194 A195E21-S191 PolarHBondContact O-OG 2.95Å; G22-S191 VanDerWaalsContact CA-OG 3.26Å; G22-S191 WeakPolarHBondContact CA-OG 3.5Å; G22-S191 WeakPolarHBondContact O-CB 3.48Å; G22-S191 PolarHBondContact O-OG 3.2Å; W24-S191 WeakPolarHBondContact CB-O 3.45Å; F186-S191 WeakPolarHBondContact CB-OG 3.47Å; S187-S191 PolarHBondContact O-N 2.89Å; S187-S191 PolarHBondContact O-OG 3.1Å; R188-S191 PolarHBondContact O-N 3.44Å; S191-F193 VanDerWaalsContact C-N 3.33Å; S191-L194 PolarHBondContact O-N 2.88Å; S191-A195 VanDerWaalsContact O-CB 3.23Å; S191-A195 WeakPolarHBondContact O-CB 3.44Å; S191-A195 PolarHBondContact O-N 3.21Å
192E97.8Very high97.8Very high81 Ų8138.8 Ų38.838%0.37917%0.174SC..Hα-helixtrans-64.6-37.4173.1-73.6167.2179.600112I27 R188 R196I27-E192 HydrophobicContact CD1-CB 4.43Å; I27-E192 HydrophobicContact CD1-CG 3.66Å; R188-E192 IonicContact CZ-OE1 2.74Å; R188-E192 IonicContact NE-OE1 3.93Å; R188-E192 PolarHBondContact NE-OE1 2.94Å; R188-E192 IonicContact NH2-OE1 3.48Å; R188-E192 PolarHBondContact NH2-OE1 3.39Å; R188-E192 WeakPolarHBondContact O-CG 3.28Å; R188-E192 PolarHBondContact O-N 3.48Å; E192-R196 WeakPolarHBondContact O-CG 3.21Å; E192-R196 PolarHBondContact O-N 3.02Å; E192-R196 VanDerWaalsContact O-N 3.14Å
193F98.4Very high97.6Very high16 Ų1641.6 Ų41.67%0.0719%0.187CC..Hα-helixtrans-63.1-50.8175.2-177.2-96.3000111.8L166 A169 M170 Q173 F179 K189 G190 S191 R196 I197L166-F193 HydrophobicContact CD1-CD1 4.42Å; L166-F193 HydrophobicContact CD1-CE1 4.32Å; A169-F193 HydrophobicContact CB-CE1 4.08Å; A169-F193 HydrophobicContact CB-CZ 4.16Å; A169-F193 WeakPolarHBondContact O-CZ 3.39Å; M170-F193 HydrophobicContact CG-CD1 4.19Å; M170-F193 HydrophobicContact CG-CE1 3.95Å; Q173-F193 HydrophobicContact CG-CD2 4.46Å; Q173-F193 HydrophobicContact CG-CE2 3.75Å; Q173-F193 HydrophobicContact CG-CZ 3.92Å; F179-F193 HydrophobicContact CD2-CB 4.37Å; F179-F193 HydrophobicContact CD2-CD1 4.21Å; F179-F193 HydrophobicContact CD2-CG 4.21Å; F179-F193 HydrophobicContact CE2-CB 4.02Å; F179-F193 AromaticContact CE2-CD1 3.81Å; F179-F193 HydrophobicContact CE2-CD1 3.81Å; F179-F193 AromaticContact CE2-CD2 3.75Å; F179-F193 HydrophobicContact CE2-CD2 3.75Å; F179-F193 HydrophobicContact CE2-CE1 4.18Å; F179-F193 HydrophobicContact CE2-CE2 4.17Å; F179-F193 AromaticContact CE2-CG 3.57Å; F179-F193 HydrophobicContact CE2-CG 3.57Å; F179-F193 HydrophobicContact CE2-CZ 4.37Å; F179-F193 HydrophobicContact CZ-CB 4.15Å; F179-F193 AromaticContact CZ-CD2 3.8Å; F179-F193 HydrophobicContact CZ-CD2 3.8Å; F179-F193 HydrophobicContact CZ-CE2 4.39Å; F179-F193 AromaticContact CZ-CG 3.94Å; F179-F193 HydrophobicContact CZ-CG 3.94Å; K189-F193 PolarHBondContact O-N 3.34Å; K189-F193 VanDerWaalsContact O-N 3.07Å; G190-F193 WeakPolarHBondContact O-CB 3.45Å; G190-F193 PolarHBondContact O-N 3.37Å; S191-F193 VanDerWaalsContact C-N 3.33Å; F193-R196 PolarHBondContact O-N 3.27Å; F193-I197 HydrophobicContact CD1-CD1 3.94Å; F193-I197 HydrophobicContact CE1-CD1 3.42Å; F193-I197 VanDerWaalsContact CE1-CD1 3.42Å; F193-I197 HydrophobicContact CZ-CD1 3.85Å; F193-I197 PolarHBondContact O-N 3.44Å
194L98.5Very high97.4Very high0 Ų047.4 Ų47.40%022%0.219CC..Hα-helixtrans-62.4-42.7176.8176.259.1000111.9W24 F74 L166 F186 G190 S191 R196 I197 L198W24-L194 HydrophobicContact CD2-CD2 3.92Å; W24-L194 HydrophobicContact CE3-CD2 4.46Å; W24-L194 HydrophobicContact CG-CD2 3.93Å; W24-L194 HydrophobicContact CG-CG 4.5Å; F74-L194 HydrophobicContact CE1-CD2 3.85Å; L166-L194 HydrophobicContact CD1-CD1 4.01Å; L166-L194 HydrophobicContact CD2-CD1 4.03Å; L166-L194 HydrophobicContact CD2-CD2 4.5Å; F186-L194 HydrophobicContact CD2-CD2 4.45Å; F186-L194 HydrophobicContact CE2-CD2 3.69Å; F186-L194 HydrophobicContact CZ-CD2 3.99Å; G190-L194 PolarHBondContact O-N 3.45Å; S191-L194 PolarHBondContact O-N 2.88Å; L194-R196 VanDerWaalsContact C-N 3.3Å; L194-R196 PolarHBondContact O-N 2.99Å; L194-I197 PolarHBondContact O-N 2.81Å; L194-L198 HydrophobicContact CD1-CD1 3.8Å; L194-L198 HydrophobicContact CD1-CG 3.89Å; L194-L198 HydrophobicContact CD2-CD1 4.41Å; L194-L198 HydrophobicContact CG-CD1 3.83Å; L194-L198 HydrophobicContact CG-CG 4.31Å; L194-L198 WeakPolarHBondContact O-CG 3.43Å; L194-L198 PolarHBondContact O-N 2.76Å
195A98.4Very high97.1Very high1 Ų149.9 Ų49.91%0.00823%0.229CC..Hα-helixtrans-59.7-39.9179.900000112.1W24 I27 L28 S191 L198 E199W24-A195 HydrophobicContact CB-CB 4.25Å; I27-A195 HydrophobicContact CB-CB 3.84Å; I27-A195 HydrophobicContact CD1-CB 4.1Å; I27-A195 HydrophobicContact CG2-CB 3.59Å; L28-A195 HydrophobicContact CD2-CB 4.49Å; L28-A195 WeakPolarHBondContact CD2-O 3.46Å; S191-A195 VanDerWaalsContact O-CB 3.23Å; S191-A195 WeakPolarHBondContact O-CB 3.44Å; S191-A195 PolarHBondContact O-N 3.21Å; A195-L198 PolarHBondContact O-N 3.24Å; A195-E199 VanDerWaalsContact O-CB 3.27Å; A195-E199 WeakPolarHBondContact O-CB 3.28Å; A195-E199 PolarHBondContact O-N 2.86Å
196R98.3Very high96.7Very high146 Ų14649.1 Ų49.155%0.55123%0.226SC*.Hα-helixtrans-63.7-44.2176-72.7-176.5-57.7171.39.2112.7E192 F193 L194 L198 E199 E200E192-R196 WeakPolarHBondContact O-CG 3.21Å; E192-R196 PolarHBondContact O-N 3.02Å; E192-R196 VanDerWaalsContact O-N 3.14Å; F193-R196 PolarHBondContact O-N 3.27Å; L194-R196 VanDerWaalsContact C-N 3.3Å; L194-R196 PolarHBondContact O-N 2.99Å; R196-L198 VanDerWaalsContact C-N 3.29Å; R196-L198 PolarHBondContact O-N 2.89Å; R196-E199 PolarHBondContact O-N 3.29Å; R196-E200 WeakPolarHBondContact O-CG 3.35Å; R196-E200 PolarHBondContact O-N 3.33Å
197I98.5Very high96Very high38 Ų3851.8 Ų51.820%0.19526%0.256CS..Hα-helixtrans-59.6-44.6176.3-66.5171.7000110.4V164 L166 A169 F193 L194 L201V164-I197 HydrophobicContact CG1-CG2 3.59Å; L166-I197 HydrophobicContact CD1-CD1 4.27Å; A169-I197 HydrophobicContact CB-CD1 3.94Å; F193-I197 HydrophobicContact CD1-CD1 3.94Å; F193-I197 HydrophobicContact CE1-CD1 3.42Å; F193-I197 VanDerWaalsContact CE1-CD1 3.42Å; F193-I197 HydrophobicContact CZ-CD1 3.85Å; F193-I197 PolarHBondContact O-N 3.44Å; L194-I197 PolarHBondContact O-N 2.81Å; I197-L201 PolarHBondContact O-N 3.1Å; I197-L201 VanDerWaalsContact O-N 3.11Å
198L98.3Very high95.4Very high0 Ų057.1 Ų57.10%028%0.283CS..Hα-helixtrans-73.2-30.5-179.7-66.8177.7000112.8F8 W24 L28 I117 V164 L194 A195 R196 L201 L202F8-L198 HydrophobicContact CD1-CD1 4.5Å; F8-L198 HydrophobicContact CE1-CD1 4.05Å; W24-L198 HydrophobicContact CE3-CD1 3.68Å; W24-L198 HydrophobicContact CH2-CD1 4.22Å; W24-L198 HydrophobicContact CZ3-CD1 3.44Å; W24-L198 VanDerWaalsContact CZ3-CD1 3.44Å; L28-L198 HydrophobicContact CD1-CB 3.85Å; L28-L198 HydrophobicContact CD1-CD1 3.94Å; L28-L198 HydrophobicContact CD2-CB 4.08Å; I117-L198 HydrophobicContact CD1-CD1 4.36Å; I117-L198 HydrophobicContact CD1-CD2 3.8Å; V164-L198 HydrophobicContact CG2-CD2 4.37Å; L194-L198 HydrophobicContact CD1-CD1 3.8Å; L194-L198 HydrophobicContact CD1-CG 3.89Å; L194-L198 HydrophobicContact CD2-CD1 4.41Å; L194-L198 HydrophobicContact CG-CD1 3.83Å; L194-L198 HydrophobicContact CG-CG 4.31Å; L194-L198 WeakPolarHBondContact O-CG 3.43Å; L194-L198 PolarHBondContact O-N 2.76Å; A195-L198 PolarHBondContact O-N 3.24Å; R196-L198 VanDerWaalsContact C-N 3.29Å; R196-L198 PolarHBondContact O-N 2.89Å; L198-L201 HydrophobicContact CD2-CD2 4.17Å; L198-L201 PolarHBondContact O-N 3.09Å; L198-L202 WeakPolarHBondContact O-CB 3.45Å; L198-L202 WeakPolarHBondContact O-CG 3.26Å; L198-L202 PolarHBondContact O-N 3.12Å
199E97.2Very high94.9Very high55 Ų5553.6 Ų53.626%0.25727%0.271SS..Hα-helixtrans-62.1-49.8172.3177.3176.3163.600110.9L28 T31 F32 A195 R196 L201 L202 M203L28-E199 HydrophobicContact CD2-CB 4.22Å; T31-E199 HydrophobicContact CG2-CG 3.97Å; F32-E199 HydrophobicContact CE2-CB 4.46Å; F32-E199 HydrophobicContact CE2-CG 4.28Å; F32-E199 HydrophobicContact CZ-CG 4.31Å; A195-E199 VanDerWaalsContact O-CB 3.27Å; A195-E199 WeakPolarHBondContact O-CB 3.28Å; A195-E199 PolarHBondContact O-N 2.86Å; R196-E199 PolarHBondContact O-N 3.29Å; E199-L201 VanDerWaalsContact C-N 3.32Å; E199-L201 PolarHBondContact O-N 3.44Å; E199-L202 PolarHBondContact O-N 3.4Å; E199-M203 HydrophobicContact CG-CE 3.64Å; E199-M203 HydrophobicContact CG-SD 4.3Å; E199-M203 WeakPolarHBondContact O-CB 3.26Å; E199-M203 WeakPolarHBondContact O-CG 3.22Å; E199-M203 PolarHBondContact O-N 3.48Å; E199-M203 WeakPolarHBondContact OE1-CE 3Å
200E96.7Very high94.4Very high143 Ų14353.4 Ų53.467%0.66827%0.271SS*.Hα-helixtrans-57.9-45.4176.1-71173.7-17100111.3R196 M203 D204R196-E200 WeakPolarHBondContact O-CG 3.35Å; R196-E200 PolarHBondContact O-N 3.33Å; E200-M203 PolarHBondContact O-N 3.39Å; E200-D204 PolarHBondContact O-N 3.19Å
201L96.7Very high93.9Very high29 Ų2958.6 Ų58.615%0.15229%0.29CS..Hα-helixtrans-61.1-46.2176.8178.462.4000112.5F70 V164 I197 L198 E199 D204 K205F70-L201 HydrophobicContact CE1-CD2 4.08Å; F70-L201 HydrophobicContact CE1-CG 4.46Å; F70-L201 HydrophobicContact CZ-CD1 4.42Å; F70-L201 HydrophobicContact CZ-CD2 3.66Å; F70-L201 HydrophobicContact CZ-CG 3.86Å; V164-L201 HydrophobicContact CG2-CD2 3.57Å; I197-L201 PolarHBondContact O-N 3.1Å; I197-L201 VanDerWaalsContact O-N 3.11Å; L198-L201 HydrophobicContact CD2-CD2 4.17Å; L198-L201 PolarHBondContact O-N 3.09Å; E199-L201 VanDerWaalsContact C-N 3.32Å; E199-L201 PolarHBondContact O-N 3.44Å; L201-D204 PolarHBondContact O-N 2.6Å; L201-K205 HydrophobicContact CD1-CG 4.04Å; L201-K205 WeakPolarHBondContact O-CB 3.48Å; L201-K205 VanDerWaalsContact O-CG 3.25Å; L201-K205 WeakPolarHBondContact O-CG 3.48Å; L201-K205 PolarHBondContact O-N 2.84Å
202L96Very high93.4Very high0 Ų060.3 Ų60.30%030%0.296CS..Hα-helixtrans-68.2-36.2179.2-72172.8000111.5A6 F8 L28 F32 I38 F70 L198 E199 K205 L206A6-L202 HydrophobicContact CB-CD2 4.21Å; F8-L202 HydrophobicContact CZ-CD1 4.17Å; F8-L202 HydrophobicContact CZ-CD2 4.48Å; L28-L202 HydrophobicContact CD1-CD1 4.41Å; L28-L202 HydrophobicContact CD2-CD1 4.3Å; F32-L202 HydrophobicContact CD2-CD1 3.94Å; F32-L202 HydrophobicContact CE1-CB 4.05Å; F32-L202 HydrophobicContact CE2-CB 3.93Å; F32-L202 HydrophobicContact CE2-CD1 3.5Å; F32-L202 HydrophobicContact CE2-CG 4.41Å; F32-L202 HydrophobicContact CZ-CB 3.46Å; F32-L202 VanDerWaalsContact CZ-CB 3.46Å; F32-L202 HydrophobicContact CZ-CD1 3.93Å; F32-L202 HydrophobicContact CZ-CG 4.38Å; I38-L202 HydrophobicContact CD1-CD1 4.46Å; F70-L202 HydrophobicContact CB-CD2 4.14Å; F70-L202 HydrophobicContact CD1-CD2 3.45Å; F70-L202 VanDerWaalsContact CD1-CD2 3.45Å; F70-L202 HydrophobicContact CE1-CD2 3.93Å; F70-L202 HydrophobicContact CG-CD2 3.83Å; L198-L202 WeakPolarHBondContact O-CB 3.45Å; L198-L202 WeakPolarHBondContact O-CG 3.26Å; L198-L202 PolarHBondContact O-N 3.12Å; E199-L202 PolarHBondContact O-N 3.4Å; L202-K205 PolarHBondContact O-N 3.16Å; L202-L206 HydrophobicContact CB-CD1 4.38Å; L202-L206 HydrophobicContact CD2-CD1 3.6Å; L202-L206 WeakPolarHBondContact O-CA 3.35Å; L202-L206 WeakPolarHBondContact O-CB 3.4Å; L202-L206 PolarHBondContact O-N 3.41Å
203M93.8Very high93Very high96 Ų9659.7 Ų59.747%0.47329%0.293SS..Hα-helixtrans-65.7-38.9175.6-74.5-172.7-176.600112.2F32 E199 E200 G207F32-M203 HydrophobicContact CE1-CG 4.35Å; F32-M203 HydrophobicContact CZ-CG 4.13Å; E199-M203 HydrophobicContact CG-CE 3.64Å; E199-M203 HydrophobicContact CG-SD 4.3Å; E199-M203 WeakPolarHBondContact O-CB 3.26Å; E199-M203 WeakPolarHBondContact O-CG 3.22Å; E199-M203 PolarHBondContact O-N 3.48Å; E199-M203 WeakPolarHBondContact OE1-CE 3Å; E200-M203 PolarHBondContact O-N 3.39Å; M203-G207 WeakPolarHBondContact O-CA 3.44Å; M203-G207 PolarHBondContact O-N 3.08Å; M203-G207 VanDerWaalsContact O-N 3.11Å
204D93.8Very high92.5Very high123 Ų12359.5 Ų59.566%0.65829%0.293SS*.Hα-helixtrans-64-48.8173.5177.370.9000111.3E200 L201E200-D204 PolarHBondContact O-N 3.19Å; L201-D204 PolarHBondContact O-N 2.6Å
205K91.4Very high92.1Very high60 Ų6062.9 Ų62.926%0.26131%0.311SS..Hα-helixtrans-78.1-25.5-173.8-66.3-68.1178.3173.90114.7F70 D112 L201 L202F70-K205 HydrophobicContact CD2-CB 4.23Å; F70-K205 HydrophobicContact CD2-CG 4.45Å; F70-K205 HydrophobicContact CE2-CB 4.14Å; F70-K205 HydrophobicContact CE2-CG 3.88Å; D112-K205 PolarHBondContact O-NZ 3.47Å; D112-K205 VanDerWaalsContact O-NZ 3.08Å; L201-K205 HydrophobicContact CD1-CG 4.04Å; L201-K205 WeakPolarHBondContact O-CB 3.48Å; L201-K205 VanDerWaalsContact O-CG 3.25Å; L201-K205 WeakPolarHBondContact O-CG 3.48Å; L201-K205 PolarHBondContact O-N 2.84Å; L202-K205 PolarHBondContact O-N 3.16Å
206L89.4Confident91.8Very high9 Ų972 Ų725%0.04735%0.346CS..THydrogen-bonded Turntrans-131.329.8-169.8-48.5173.4000111.3I36 K69 F70 L202 D208 L209I36-L206 HydrophobicContact CD1-CD1 3.66Å; K69-L206 HydrophobicContact CB-CD2 3.89Å; F70-L206 HydrophobicContact CB-CD1 4.12Å; F70-L206 HydrophobicContact CB-CD2 4.45Å; L202-L206 HydrophobicContact CB-CD1 4.38Å; L202-L206 HydrophobicContact CD2-CD1 3.6Å; L202-L206 WeakPolarHBondContact O-CA 3.35Å; L202-L206 WeakPolarHBondContact O-CB 3.4Å; L202-L206 PolarHBondContact O-N 3.41Å; L206-D208 PolarHBondContact O-N 2.99Å; L206-D208 VanDerWaalsContact O-N 3.12Å; L206-L209 HydrophobicContact CB-CD1 3.46Å; L206-L209 VanDerWaalsContact CB-CD1 3.46Å; L206-L209 HydrophobicContact CB-CG 3.72Å; L206-L209 HydrophobicContact CD1-CD1 3.93Å; L206-L209 HydrophobicContact CG-CD1 4.3Å; L206-L209 WeakPolarHBondContact O-CB 3.42Å; L206-L209 VanDerWaalsContact O-CG 3.24Å; L206-L209 WeakPolarHBondContact O-CG 3.26Å; L206-L209 PolarHBondContact O-N 3.32Å
207G83.6Confident91.6Very high65 Ų6572.3 Ų72.367%0.6735%0.351SS*.THydrogen-bonded Turntrans-61.8-18.2-177.500000114.2M203 L209M203-G207 WeakPolarHBondContact O-CA 3.44Å; M203-G207 PolarHBondContact O-N 3.08Å; M203-G207 VanDerWaalsContact O-N 3.11Å; G207-L209 VanDerWaalsContact C-N 3.35Å
208D85.5Confident91.2Very high132 Ų13274.3 Ų74.371%0.70637%0.365SS*.THydrogen-bonded Turntrans-87.92.517669.5-31000113.7L206 K210L206-D208 PolarHBondContact O-N 2.99Å; L206-D208 VanDerWaalsContact O-N 3.12Å; D208-K210 PolarHBondContact O-N 3.45Å; D208-K210 VanDerWaalsContact O-N 3.14Å
209L86.8Confident90.8Very high29 Ų2976.2 Ų76.215%0.15237%0.374CS..  trans-59.7120.1177.9-78.8173.5000111.8P4 K35 I36 L206 G207P4-L209 HydrophobicContact CB-CD2 4.48Å; P4-L209 HydrophobicContact CG-CD2 3.89Å; K35-L209 HydrophobicContact CB-CB 4.28Å; K35-L209 HydrophobicContact CB-CD1 4.34Å; I36-L209 HydrophobicContact CB-CD1 3.83Å; I36-L209 HydrophobicContact CB-CD2 4.35Å; I36-L209 HydrophobicContact CD1-CD1 4.2Å; I36-L209 HydrophobicContact CG2-CD1 3.66Å; L206-L209 HydrophobicContact CB-CD1 3.46Å; L206-L209 VanDerWaalsContact CB-CD1 3.46Å; L206-L209 HydrophobicContact CB-CG 3.72Å; L206-L209 HydrophobicContact CD1-CD1 3.93Å; L206-L209 HydrophobicContact CG-CD1 4.3Å; L206-L209 WeakPolarHBondContact O-CB 3.42Å; L206-L209 VanDerWaalsContact O-CG 3.24Å; L206-L209 WeakPolarHBondContact O-CG 3.26Å; L206-L209 PolarHBondContact O-N 3.32Å; G207-L209 VanDerWaalsContact C-N 3.35Å
210K86.4Confident90.5Very high98 Ų9877.1 Ų77.143%0.42638%0.381SS..  trans-70.5146.3178-60.9175.5-177.1171.70110.4D208 W212 Q235D208-K210 PolarHBondContact O-N 3.45Å; D208-K210 VanDerWaalsContact O-N 3.14Å; K210-W212 PolarHBondContact O-N 3.23Å; K210-Q235 HydrophobicContact CD-CB 4.22Å; K210-Q235 VanDerWaalsContact CD-O 3.24Å; K210-Q235 WeakPolarHBondContact CD-O 3.36Å; K210-Q235 VanDerWaalsContact CE-O 3.31Å; K210-Q235 WeakPolarHBondContact CE-O 3.34Å; K210-Q235 PolarHBondContact NZ-O 2.83Å
211W88.2Confident90.3Very high110 Ų11075.5 Ų75.542%0.41738%0.383SS..  trans-79.1115.6168.1-170.5-90.5000109.1V33 R34 K35 Y231V33-W211 HydrophobicContact CG1-CH2 4.5Å; R34-W211 HydrophobicContact CB-CZ2 4.37Å; R34-W211 VanDerWaalsContact NH2-NE1 3.12Å; K35-W211 HydrophobicContact CD-CE3 4.38Å; K35-W211 HydrophobicContact CG-CE3 4.01Å; K35-W211 HydrophobicContact CG-CZ3 4.44Å; W211-Y231 PolarHBondContact O-OH 3.21Å
212W88.5Confident90.2Very high35 Ų3581.2 Ų81.213%0.13341%0.414CS..  trans-79.7130-174.7-73.371.9000111.6M1 F3 R34 K35 K210M1-W212 HydrophobicContact CB-CZ3 4.48Å; M1-W212 HydrophobicContact CE-CE3 4.12Å; M1-W212 HydrophobicContact CE-CH2 3.21Å; M1-W212 HydrophobicContact CE-CZ2 4.2Å; M1-W212 HydrophobicContact CE-CZ3 3.19Å; M1-W212 HydrophobicContact CG-CH2 3.64Å; M1-W212 HydrophobicContact CG-CZ3 3.49Å; M1-W212 VanDerWaalsContact CG-CZ3 3.49Å; M1-W212 HydrophobicContact SD-CE3 4.31Å; M1-W212 HydrophobicContact SD-CH2 3.84Å; M1-W212 HydrophobicContact SD-CZ3 3.33Å; M1-W212 WeakPolarHBondContact SD-CZ3 3.26Å; F3-W212 HydrophobicContact CD1-CB 4.43Å; F3-W212 AromaticContact CD1-CD1 3.99Å; F3-W212 HydrophobicContact CD1-CD2 4.03Å; F3-W212 AromaticContact CD1-CG 3.91Å; F3-W212 HydrophobicContact CD1-CG 3.91Å; F3-W212 HydrophobicContact CD2-CE3 4.26Å; F3-W212 HydrophobicContact CD2-CZ3 4.45Å; F3-W212 HydrophobicContact CE1-CB 3.35Å; F3-W212 AromaticContact CE1-CD1 3.67Å; F3-W212 AromaticContact CE1-CD2 3.69Å; F3-W212 HydrophobicContact CE1-CD2 3.69Å; F3-W212 HydrophobicContact CE1-CE3 4.19Å; F3-W212 AromaticContact CE1-CG 3.26Å; F3-W212 HydrophobicContact CE1-CG 3.26Å; F3-W212 HydrophobicContact CE2-CB 4.48Å; F3-W212 HydrophobicContact CE2-CD2 4.19Å; F3-W212 AromaticContact CE2-CE3 3.85Å; F3-W212 HydrophobicContact CE2-CE3 3.85Å; F3-W212 HydrophobicContact CE2-CG 4.46Å; F3-W212 HydrophobicContact CE2-CZ3 4.37Å; F3-W212 HydrophobicContact CG-CD2 4.44Å; F3-W212 HydrophobicContact CZ-CB 3.38Å; F3-W212 AromaticContact CZ-CD2 3.78Å; F3-W212 HydrophobicContact CZ-CD2 3.78Å; F3-W212 AromaticContact CZ-CE3 3.81Å; F3-W212 HydrophobicContact CZ-CE3 3.81Å; F3-W212 AromaticContact CZ-CG 3.59Å; F3-W212 HydrophobicContact CZ-CG 3.59Å; R34-W212 PolarHBondContact NE-O 3.01Å; R34-W212 PolarHBondContact NH2-O 2.96Å; R34-W212 VanDerWaalsContact O-CB 3.25Å; R34-W212 WeakPolarHBondContact O-CB 3.44Å; R34-W212 VanDerWaalsContact O-CD1 3.26Å; R34-W212 PolarHBondContact O-N 2.97Å; K35-W212 PolarHBondContact O-NE1 3.48Å; K210-W212 PolarHBondContact O-N 3.23Å
213F88.7Confident90Very high69 Ų6984 Ų8430%0.30343%0.429SS..SBendtrans61.2157-175.2-54.6-75.1000113.2F3 R34 I228 Y231 L232F3-F213 AromaticContact CE2-CE2 3.96Å; F3-F213 HydrophobicContact CE2-CE2 3.96Å; F3-F213 HydrophobicContact CZ-CD2 4.25Å; F3-F213 AromaticContact CZ-CE2 3.91Å; F3-F213 HydrophobicContact CZ-CE2 3.91Å; R34-F213 VanDerWaalsContact NH2-C 3.28Å; R34-F213 PolarHBondContact NH2-O 3.43Å; F213-I228 HydrophobicContact CD1-CG2 3.93Å; F213-I228 HydrophobicContact CE1-CG2 3.93Å; F213-Y231 VanDerWaalsContact C-CE1 3.48Å; F213-Y231 VanDerWaalsContact CA-CE1 3.48Å; F213-L232 HydrophobicContact CD1-CD2 4.25Å; F213-L232 HydrophobicContact CE1-CD1 4.05Å; F213-L232 HydrophobicContact CE1-CD2 3.78Å; F213-L232 HydrophobicContact CE1-CG 4.13Å; F213-L232 HydrophobicContact CZ-CD2 4.27Å
214P87.6Confident90Very high12 Ų1282.1 Ų82.18%0.07842%0.423CS..  trans-79.5173.7177.931.2-33.1000112.4R34 V218 I219 F227 Y231R34-P214 PolarHBondContact NH2-O 3.46Å; P214-V218 HydrophobicContact CB-CG2 3.46Å; P214-V218 VanDerWaalsContact CB-CG2 3.46Å; P214-V218 HydrophobicContact CG-CG2 4.15Å; P214-I219 HydrophobicContact CG-CD1 4.09Å; P214-I219 HydrophobicContact CG-CG1 3.86Å; P214-F227 HydrophobicContact CG-CD1 4.3Å; P214-F227 HydrophobicContact CG-CE1 4.18Å; P214-Y231 HydrophobicContact CB-CD2 3.79Å; P214-Y231 HydrophobicContact CB-CE2 3.92Å; P214-Y231 HydrophobicContact CB-CG 4.28Å; P214-Y231 HydrophobicContact CG-CD2 4.1Å; P214-Y231 HydrophobicContact CG-CG 4.11Å
215D90.5Very high89.9Confident71 Ų7180.7 Ų80.738%0.3842%0.419SS..  trans-64145.4163.4-170.6-85.5000109.7K217 V218D215-K217 PolarHBondContact O-N 3.29Å; D215-K217 VanDerWaalsContact O-N 3.12Å; D215-K217 VanDerWaalsContact OD1-CB 3.29Å; D215-K217 WeakPolarHBondContact OD1-CB 3.33Å; D215-K217 WeakPolarHBondContact OD1-CD 3.37Å; D215-K217 VanDerWaalsContact OD1-CG 3.23Å; D215-K217 WeakPolarHBondContact OD1-CG 3.44Å; D215-K217 PolarHBondContact OD1-N 3.5Å; D215-V218 VanDerWaalsContact O-CG2 3.22Å; D215-V218 WeakPolarHBondContact O-CG2 3.28Å; D215-V218 PolarHBondContact O-N 2.81Å
216W93.2Very high89.8Confident193 Ų19384.2 Ų84.273%0.73144%0.436SS*.G310 helixtrans-60.8-25.9-17771.2-89.7000112.7V218 I219W216-V218 PolarHBondContact O-N 2.98Å; W216-I219 PolarHBondContact O-N 3.23Å
217K93.2Very high89.7Confident152 Ų15287.4 Ų87.466%0.66145%0.45SS*.G310 helixtrans-66.9-20.4-178.4-67.2168.9-171.7151.40114.2D215D215-K217 PolarHBondContact O-N 3.29Å; D215-K217 VanDerWaalsContact O-N 3.12Å; D215-K217 VanDerWaalsContact OD1-CB 3.29Å; D215-K217 WeakPolarHBondContact OD1-CB 3.33Å; D215-K217 WeakPolarHBondContact OD1-CD 3.37Å; D215-K217 VanDerWaalsContact OD1-CG 3.23Å; D215-K217 WeakPolarHBondContact OD1-CG 3.44Å; D215-K217 PolarHBondContact OD1-N 3.5Å
218V89.5Confident90Very high80 Ų8086.7 Ų86.749%0.48543%0.43SS..G310 helixtrans-95-7.7177.7-56.70000112.5P214 D215 W216 F227P214-V218 HydrophobicContact CB-CG2 3.46Å; P214-V218 VanDerWaalsContact CB-CG2 3.46Å; P214-V218 HydrophobicContact CG-CG2 4.15Å; D215-V218 VanDerWaalsContact O-CG2 3.22Å; D215-V218 WeakPolarHBondContact O-CG2 3.28Å; D215-V218 PolarHBondContact O-N 2.81Å; W216-V218 PolarHBondContact O-N 2.98Å; V218-F227 HydrophobicContact CB-CE1 4.25Å; V218-F227 HydrophobicContact CB-CZ 4.13Å; V218-F227 HydrophobicContact CG2-CE1 3.77Å; V218-F227 HydrophobicContact CG2-CZ 4.11Å; V218-F227 WeakPolarHBondContact O-CE1 3.42Å; V218-F227 VanDerWaalsContact O-CE2 3.29Å; V218-F227 WeakPolarHBondContact O-CE2 3.16Å; V218-F227 WeakPolarHBondContact O-CZ 3.43Å
219I91.1Very high90.1Very high39 Ų3984.2 Ų84.220%0.242%0.417CS..SBendtrans-80.6127.7177.8-57.4178.1000108.4P214 W216 P221 P224 F227 I228P214-I219 HydrophobicContact CG-CD1 4.09Å; P214-I219 HydrophobicContact CG-CG1 3.86Å; W216-I219 PolarHBondContact O-N 3.23Å; I219-P221 VanDerWaalsContact O-CD 3.26Å; I219-P221 WeakPolarHBondContact O-CD 3.45Å; I219-P224 HydrophobicContact CG2-CB 3.77Å; I219-F227 HydrophobicContact CG1-CD1 4.24Å; I219-I228 HydrophobicContact CD1-CD1 4.32Å; I219-I228 HydrophobicContact CD1-CG1 4.11Å
220N90Very high90.1Very high74 Ų7488.7 Ų88.740%0.39644%0.437SS..  trans-66.1115.1169.1178.54.1000109.1N222 D223 P224N220-N222 PolarHBondContact O-N 3.49Å; N220-N222 VanDerWaalsContact O-N 3.17Å; N220-N222 PolarHBondContact OD1-N 3.2Å; N220-D223 CarbonylContact O-C 3.13Å; N220-D223 PolarHBondContact O-N 3.01Å; N220-P224 VanDerWaalsContact O-N 3.14Å
221P92.6Very high90.1Very high110 Ų11086.1 Ų86.171%0.71443%0.425SS*.THydrogen-bonded Turntrans-66-19.9-178.227.5-35.2000113.3I219I219-P221 VanDerWaalsContact O-CD 3.26Å; I219-P221 WeakPolarHBondContact O-CD 3.45Å
222N94.8Very high89.8Confident149 Ų14982.4 Ų82.480%0.79741%0.413SS*.THydrogen-bonded Turntrans-86.8-15.5176.7-61.5-42.4000113N220N220-N222 PolarHBondContact O-N 3.49Å; N220-N222 VanDerWaalsContact O-N 3.17Å; N220-N222 PolarHBondContact OD1-N 3.2Å
223D92.8Very high89.6Confident59 Ų5987.2 Ų87.232%0.31644%0.437SS..  trans-146.371.7172.5-165.6-9.1000111.6N220 V225 E226N220-D223 CarbonylContact O-C 3.13Å; N220-D223 PolarHBondContact O-N 3.01Å; D223-V225 VanDerWaalsContact C-N 3.28Å; D223-V225 PolarHBondContact O-N 3.08Å; D223-E226 WeakPolarHBondContact OD1-CB 3.4Å; D223-E226 PolarHBondContact OD1-N 2.64Å; D223-E226 VanDerWaalsContact OD1-N 3.14Å; D223-E226 WeakPolarHBondContact OD2-CB 3.3Å
224P93.5Very high89.2Confident56 Ų5687.3 Ų87.336%0.36445%0.446SS..Hα-helixtrans-70.1-27.5-178.927.1-34.2000112.5I219 N220 I228I219-P224 HydrophobicContact CG2-CB 3.77Å; N220-P224 VanDerWaalsContact O-N 3.14Å; P224-I228 HydrophobicContact CB-CD1 4.46Å; P224-I228 VanDerWaalsContact O-CB 3.3Å; P224-I228 WeakPolarHBondContact O-CB 3.36Å; P224-I228 WeakPolarHBondContact O-CD1 3.4Å; P224-I228 WeakPolarHBondContact O-CG1 3.39Å; P224-I228 PolarHBondContact O-N 2.7Å
225V91.6Very high88.4Confident93 Ų9389.9 Ų89.956%0.56446%0.457SS*.Hα-helixtrans-71.3-48.3-173.4175.50000110.7D223 F227 N229D223-V225 VanDerWaalsContact C-N 3.28Å; D223-V225 PolarHBondContact O-N 3.08Å; V225-F227 VanDerWaalsContact C-N 3.34Å; V225-F227 PolarHBondContact O-N 2.7Å; V225-N229 WeakPolarHBondContact CG1-ND2 3.37Å; V225-N229 WeakPolarHBondContact O-CB 3.33Å; V225-N229 VanDerWaalsContact O-CG 3.31Å; V225-N229 PolarHBondContact O-N 3.38Å; V225-N229 PolarHBondContact O-ND2 2.87Å
226E89.2Confident87.1Confident134 Ų13495.2 Ų95.263%0.62648%0.483SS*.Hα-helixtrans-59.9-47.9179.1-172-179.6-152.300110.7D223 I228 N229 H230D223-E226 WeakPolarHBondContact OD1-CB 3.4Å; D223-E226 PolarHBondContact OD1-N 2.64Å; D223-E226 VanDerWaalsContact OD1-N 3.14Å; D223-E226 WeakPolarHBondContact OD2-CB 3.3Å; E226-I228 PolarHBondContact O-N 3.14Å; E226-N229 PolarHBondContact O-N 3.46Å; E226-H230 WeakPolarHBondContact O-CB 3.29Å; E226-H230 PolarHBondContact O-N 3.19Å
227F87.1Confident86.8Confident75 Ų7590.3 Ų90.333%0.32947%0.471SS..Hα-helixtrans-65.2-43.6-177.3-159.8-80.8000112.7P214 V218 I219 V225 H230 Y231P214-F227 HydrophobicContact CG-CD1 4.3Å; P214-F227 HydrophobicContact CG-CE1 4.18Å; V218-F227 HydrophobicContact CB-CE1 4.25Å; V218-F227 HydrophobicContact CB-CZ 4.13Å; V218-F227 HydrophobicContact CG2-CE1 3.77Å; V218-F227 HydrophobicContact CG2-CZ 4.11Å; V218-F227 WeakPolarHBondContact O-CE1 3.42Å; V218-F227 VanDerWaalsContact O-CE2 3.29Å; V218-F227 WeakPolarHBondContact O-CE2 3.16Å; V218-F227 WeakPolarHBondContact O-CZ 3.43Å; I219-F227 HydrophobicContact CG1-CD1 4.24Å; V225-F227 VanDerWaalsContact C-N 3.34Å; V225-F227 PolarHBondContact O-N 2.7Å; F227-H230 PolarHBondContact O-N 3.48Å; F227-Y231 PolarHBondContact O-N 2.84Å
228I89.9Confident86.5Confident51 Ų5187.1 Ų87.126%0.26246%0.461SS..Hα-helixtrans-62.5-44.9177.5-72.2167.6000110.6F213 I219 P224 E226 Y231 L232F213-I228 HydrophobicContact CD1-CG2 3.93Å; F213-I228 HydrophobicContact CE1-CG2 3.93Å; I219-I228 HydrophobicContact CD1-CD1 4.32Å; I219-I228 HydrophobicContact CD1-CG1 4.11Å; P224-I228 HydrophobicContact CB-CD1 4.46Å; P224-I228 VanDerWaalsContact O-CB 3.3Å; P224-I228 WeakPolarHBondContact O-CB 3.36Å; P224-I228 WeakPolarHBondContact O-CD1 3.4Å; P224-I228 WeakPolarHBondContact O-CG1 3.39Å; P224-I228 PolarHBondContact O-N 2.7Å; E226-I228 PolarHBondContact O-N 3.14Å; I228-Y231 PolarHBondContact O-N 2.88Å; I228-L232 HydrophobicContact CG2-CD1 4.38Å; I228-L232 WeakPolarHBondContact O-CG 3.27Å; I228-L232 PolarHBondContact O-N 2.96Å
229N87.9Confident86.3Confident79 Ų7987.4 Ų87.442%0.42246%0.46SS..Hα-helixtrans-65.1-40.2178.9-74.3-29.8000111.8V225 E226 L232 Q233V225-N229 WeakPolarHBondContact CG1-ND2 3.37Å; V225-N229 WeakPolarHBondContact O-CB 3.33Å; V225-N229 VanDerWaalsContact O-CG 3.31Å; V225-N229 PolarHBondContact O-N 3.38Å; V225-N229 PolarHBondContact O-ND2 2.87Å; E226-N229 PolarHBondContact O-N 3.46Å; N229-L232 PolarHBondContact O-N 3.42Å; N229-Q233 WeakPolarHBondContact O-CG 3.39Å; N229-Q233 PolarHBondContact O-N 3.38Å
230H86.8Confident86Confident123 Ų12390.3 Ų90.357%0.56948%0.475SS*.Hα-helixtrans-62.1-44175.2-171.976.5000111.8E226 F227 L232 Q233 S234E226-H230 WeakPolarHBondContact O-CB 3.29Å; E226-H230 PolarHBondContact O-N 3.19Å; F227-H230 PolarHBondContact O-N 3.48Å; H230-L232 VanDerWaalsContact C-N 3.34Å; H230-L232 PolarHBondContact O-N 3.47Å; H230-Q233 PolarHBondContact O-N 2.75Å; H230-S234 PolarHBondContact O-N 3.33Å
231Y85.6Confident85.8Confident44 Ų4491.3 Ų91.317%0.17348%0.48CS..Hα-helixtrans-57.8-47.8174.3-177.9-89.1000111.2W211 F213 P214 F227 I228 Q233 S234 Q235W211-Y231 PolarHBondContact O-OH 3.21Å; F213-Y231 VanDerWaalsContact C-CE1 3.48Å; F213-Y231 VanDerWaalsContact CA-CE1 3.48Å; P214-Y231 HydrophobicContact CB-CD2 3.79Å; P214-Y231 HydrophobicContact CB-CE2 3.92Å; P214-Y231 HydrophobicContact CB-CG 4.28Å; P214-Y231 HydrophobicContact CG-CD2 4.1Å; P214-Y231 HydrophobicContact CG-CG 4.11Å; F227-Y231 PolarHBondContact O-N 2.84Å; I228-Y231 PolarHBondContact O-N 2.88Å; Y231-Q233 VanDerWaalsContact C-N 3.3Å; Y231-Q233 PolarHBondContact O-N 3.12Å; Y231-S234 PolarHBondContact O-N 2.93Å; Y231-S234 PolarHBondContact O-OG 3Å; Y231-Q235 HydrophobicContact CD1-CG 4.13Å; Y231-Q235 HydrophobicContact CE1-CG 3.76Å; Y231-Q235 VanDerWaalsContact O-CG 3.31Å; Y231-Q235 WeakPolarHBondContact O-CG 3.26Å; Y231-Q235 PolarHBondContact O-N 3.13Å
232L82.2Confident85.3Confident32 Ų3290.1 Ų90.117%0.16846%0.464CS..Hα-helixtrans-58.9-41.5178.4-71.4176.2000112.3M1 F213 I228 N229 H230 Q235M1-L232 HydrophobicContact CE-CD2 3.92Å; M1-L232 HydrophobicContact SD-CD1 4.22Å; M1-L232 HydrophobicContact SD-CD2 3.77Å; F213-L232 HydrophobicContact CD1-CD2 4.25Å; F213-L232 HydrophobicContact CE1-CD1 4.05Å; F213-L232 HydrophobicContact CE1-CD2 3.78Å; F213-L232 HydrophobicContact CE1-CG 4.13Å; F213-L232 HydrophobicContact CZ-CD2 4.27Å; I228-L232 HydrophobicContact CG2-CD1 4.38Å; I228-L232 WeakPolarHBondContact O-CG 3.27Å; I228-L232 PolarHBondContact O-N 2.96Å; N229-L232 PolarHBondContact O-N 3.42Å; H230-L232 VanDerWaalsContact C-N 3.34Å; H230-L232 PolarHBondContact O-N 3.47Å; L232-Q235 PolarHBondContact O-N 2.7Å
233Q83.1Confident84.6Confident136 Ų13685.9 Ų85.964%0.63644%0.441SS*.Hα-helixtrans-67.1-36177.3-71.6174.5-9.700112.7N229 H230 Y231 Q235 I236N229-Q233 WeakPolarHBondContact O-CG 3.39Å; N229-Q233 PolarHBondContact O-N 3.38Å; H230-Q233 PolarHBondContact O-N 2.75Å; Y231-Q233 VanDerWaalsContact C-N 3.3Å; Y231-Q233 PolarHBondContact O-N 3.12Å; Q233-Q235 PolarHBondContact O-N 3.36Å; Q233-I236 PolarHBondContact O-N 2.74Å
234S80.9Confident84Confident71 Ų7187.9 Ų87.950%0.49745%0.45SS..Hα-helixtrans-67.3-14.2176.276.70000113.9H230 Y231H230-S234 PolarHBondContact O-N 3.33Å; Y231-S234 PolarHBondContact O-N 2.93Å; Y231-S234 PolarHBondContact O-OG 3Å
235Q71Confident83.2Confident67 Ų6790.6 Ų90.631%0.31346%0.458SS..THydrogen-bonded Turntrans-106.37.8-177.4-65-63.3-50.300112.4K210 Y231 L232 Q233K210-Q235 HydrophobicContact CD-CB 4.22Å; K210-Q235 VanDerWaalsContact CD-O 3.24Å; K210-Q235 WeakPolarHBondContact CD-O 3.36Å; K210-Q235 VanDerWaalsContact CE-O 3.31Å; K210-Q235 WeakPolarHBondContact CE-O 3.34Å; K210-Q235 PolarHBondContact NZ-O 2.83Å; Y231-Q235 HydrophobicContact CD1-CG 4.13Å; Y231-Q235 HydrophobicContact CE1-CG 3.76Å; Y231-Q235 VanDerWaalsContact O-CG 3.31Å; Y231-Q235 WeakPolarHBondContact O-CG 3.26Å; Y231-Q235 PolarHBondContact O-N 3.13Å; L232-Q235 PolarHBondContact O-N 2.7Å; Q233-Q235 PolarHBondContact O-N 3.36Å
236I63.3Low82.4Confident182 Ų18290.4 Ų90.493%0.93345%0.448SS*.  trans-96.30173.3-66.3171.7000108.5Q233Q233-I236 PolarHBondContact O-N 2.74Å

Retrieved 236 of 236 residues in 54.4 ms (Link to these results)

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