GST26_SCHMA Loading...

Glutathione S-transferase class-mu 26 kDa isozyme

Conjugation of reduced glutathione to a wide number of exogenous and endogenous hydrophobic electrophiles. GST isoenzymes appear to play a central role in the parasite detoxification system. Other functions are also suspected including a role in increasing the solubility of haematin in the parasite gut.

AlphaFold DB , UniProt , Accession P15964, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 218 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
1M83.7Confident96.7Very high203 Ų20346.2 Ų46.2100%122%0.218SC*.  0134.60-168.9175.7-70.300105.8
2A94.7Very high96.9Very high23 Ų2342.7 Ų42.719%0.1920%0.203CC..PPolyproline II helixtrans-61.2139.517800000109.4E29A2-E29 HydrophobicContact CB-CG 4.13Å
3P97.7Very high96.9Very high8 Ų843.6 Ų43.65%0.05221%0.21CC..PPolyproline II helixtrans-57.8140.3174.9-26.837.4000111.5T27 E29 Y58 I59 D60P3-T27 VanDerWaalsContact CD-O 3.24Å; P3-T27 WeakPolarHBondContact CD-O 3.24Å; P3-E29 PolarHBondContact O-N 2.96Å; P3-Y58 HydrophobicContact CB-CE1 3.87Å; P3-Y58 HydrophobicContact CB-CE2 3.74Å; P3-Y58 WeakPolarHBondContact CB-OH 3.35Å; P3-Y58 HydrophobicContact CG-CE1 4.45Å; P3-Y58 VanDerWaalsContact CG-OH 3.25Å; P3-Y58 WeakPolarHBondContact CG-OH 3.37Å; P3-I59 CarbonylContact C-O 3.52Å; P3-I59 WeakPolarHBondContact CA-O 3.29Å; P3-D60 HydrophobicContact CB-CB 4.18Å; P3-D60 HydrophobicContact CG-CB 4.15Å
4K98Very high97.1Very high100 Ų10040.5 Ų40.544%0.43520%0.195SC..EExtended strand (participates in β ladder)trans-89.7123.2175.8-63.5-176.7178.5-177.90109.6E29 Y58 I59K4-E29 WeakPolarHBondContact CA-O 3.44Å; K4-Y58 CarbonylContact O-C 3.54Å; K4-Y58 WeakPolarHBondContact O-CA 3.45Å; K4-I59 HydrophobicContact CB-CB 4.3Å; K4-I59 PolarHBondContact N-O 3.11Å; K4-I59 PolarHBondContact O-N 2.92Å
5F98.5Very high97.2Very high0 Ų037.9 Ų37.90%018%0.182CC..EExtended strand (participates in β ladder)trans-113.7119.6178-174.3-140.2000110V14 T17 R18 L21 Y28 E29 E30 R31 P56 Y57 Y58 I71F5-V14 HydrophobicContact CE1-CB 3.95Å; F5-V14 HydrophobicContact CE1-CG1 4.3Å; F5-V14 HydrophobicContact CE2-CG1 4.06Å; F5-V14 HydrophobicContact CZ-CB 3.51Å; F5-V14 HydrophobicContact CZ-CG1 3.5Å; F5-V14 VanDerWaalsContact CZ-CG1 3.5Å; F5-V14 HydrophobicContact CZ-CG2 4.47Å; F5-T17 HydrophobicContact CE1-CG2 4.19Å; F5-T17 HydrophobicContact CE2-CG2 4.15Å; F5-T17 HydrophobicContact CZ-CG2 3.67Å; F5-R18 HydrophobicContact CE1-CG 3.94Å; F5-L21 HydrophobicContact CD1-CD1 4.41Å; F5-Y28 HydrophobicContact CB-CD2 4.24Å; F5-Y28 HydrophobicContact CD1-CD2 4.37Å; F5-Y28 HydrophobicContact CD1-CE2 4.38Å; F5-E29 PolarHBondContact N-O 3.49Å; F5-E30 HydrophobicContact CD1-CG 4.4Å; F5-E30 CarbonylContact O-C 3.59Å; F5-E30 WeakPolarHBondContact O-CA 3.34Å; F5-R31 PolarHBondContact O-N 3.29Å; F5-P56 HydrophobicContact CE2-CB 4.03Å; F5-Y57 VanDerWaalsContact CD2-O 3.32Å; F5-Y57 WeakPolarHBondContact CD2-O 3.39Å; F5-Y58 HydrophobicContact CB-CD2 4.19Å; F5-Y58 AromaticContact CD2-CD2 3.91Å; F5-Y58 HydrophobicContact CD2-CD2 3.91Å; F5-Y58 HydrophobicContact CG-CD2 4.34Å; F5-I71 HydrophobicContact CE2-CG2 4.13Å
6G98.6Very high97.3Very high0 Ų036.4 Ų36.40%018%0.176CC..EExtended strand (participates in β ladder)trans-114.8128.2-174.900000112.7P56 Y57G6-P56 WeakPolarHBondContact O-CA 3.39Å; G6-P56 WeakPolarHBondContact O-CB 3.13Å; G6-Y57 VanDerWaalsContact CA-CZ 3.46Å; G6-Y57 PolarHBondContact N-O 2.63Å; G6-Y57 PolarHBondContact O-N 2.99Å; G6-Y57 VanDerWaalsContact O-N 3.08Å
7Y98.8Very high97.4Very high18 Ų1834.4 Ų34.47%0.07117%0.167CC..EExtended strand (participates in β ladder)trans-158.7172.5172.3-160.4-120.2000112.1V10 L13 V14 R31 A32 Y33 L55 P56Y7-V10 HydrophobicContact CD1-CG2 4.22Å; Y7-V10 HydrophobicContact CE1-CG2 3.67Å; Y7-L13 PolarHBondContact OH-N 3.02Å; Y7-L13 VanDerWaalsContact OH-N 3.13Å; Y7-V14 HydrophobicContact CD1-CB 4.03Å; Y7-V14 HydrophobicContact CD1-CG1 3.74Å; Y7-V14 HydrophobicContact CD1-CG2 3.12Å; Y7-V14 HydrophobicContact CD2-CG1 3.65Å; Y7-V14 HydrophobicContact CE1-CB 4.43Å; Y7-V14 HydrophobicContact CE1-CG1 4.14Å; Y7-V14 HydrophobicContact CE1-CG2 3.66Å; Y7-V14 HydrophobicContact CE2-CG1 4.11Å; Y7-V14 HydrophobicContact CG-CB 4.16Å; Y7-V14 HydrophobicContact CG-CG1 3.44Å; Y7-V14 VanDerWaalsContact CG-CG1 3.44Å; Y7-V14 HydrophobicContact CG-CG2 3.64Å; Y7-R31 PolarHBondContact N-O 3.39Å; Y7-R31 VanDerWaalsContact N-O 3.16Å; Y7-R31 VanDerWaalsContact O-O 3.1Å; Y7-A32 CarbonylContact O-C 3.59Å; Y7-A32 VanDerWaalsContact O-CA 3.32Å; Y7-A32 WeakPolarHBondContact O-CA 3.39Å; Y7-Y33 WeakPolarHBondContact O-CD2 3.45Å; Y7-Y33 PolarHBondContact O-N 3.48Å; Y7-L55 HydrophobicContact CD2-CB 3.86Å; Y7-L55 HydrophobicContact CE2-CB 4.17Å; Y7-P56 HydrophobicContact CD2-CB 3.69Å; Y7-P56 HydrophobicContact CD2-CG 4.27Å; Y7-P56 HydrophobicContact CE2-CB 4.35Å; Y7-P56 HydrophobicContact CE2-CG 4.46Å; Y7-P56 HydrophobicContact CG-CB 4.36Å
8W98.6Very high97.5Very high60 Ų6032.4 Ų32.423%0.22716%0.157CC..EExtended strand (participates in β ladder)trans-62.3148.7164.1-58.7117.8000110.5V10 R18 Y33 I38 W41 L55 W206W8-V10 HydrophobicContact CB-CG1 4.16Å; W8-V10 HydrophobicContact CB-CG2 3.94Å; W8-V10 PolarHBondContact O-N 2.8Å; W8-R18 PolarHBondContact O-NH2 3.44Å; W8-Y33 CarbonylContact C-O 3.48Å; W8-Y33 WeakPolarHBondContact CA-O 3.4Å; W8-Y33 VanDerWaalsContact CE3-CB 3.47Å; W8-Y33 HydrophobicContact CE3-CG 4.49Å; W8-Y33 HydrophobicContact CZ3-CG 4.35Å; W8-I38 HydrophobicContact CH2-CG1 4.41Å; W8-W41 HydrophobicContact CH2-CB 3.74Å; W8-W41 AromaticContact CH2-CD1 3.73Å; W8-W41 AromaticContact CH2-CG 3.97Å; W8-W41 HydrophobicContact CH2-CG 3.97Å; W8-W41 HydrophobicContact CZ2-CB 4.47Å; W8-W41 AromaticContact CZ2-CD1 3.68Å; W8-W41 HydrophobicContact CZ2-CG 4.22Å; W8-W41 HydrophobicContact CZ3-CB 4.27Å; W8-L55 HydrophobicContact CD2-CD1 3.91Å; W8-L55 VanDerWaalsContact CE2-CD1 3.42Å; W8-L55 HydrophobicContact CE3-CD1 4.49Å; W8-L55 HydrophobicContact CG-CD1 4.35Å; W8-L55 HydrophobicContact CH2-CD1 4.2Å; W8-L55 HydrophobicContact CZ2-CD1 3.6Å; W8-W206 HydrophobicContact CB-CH2 4.08Å; W8-W206 HydrophobicContact CB-CZ3 4.09Å; W8-W206 HydrophobicContact CD2-CZ3 4.38Å; W8-W206 HydrophobicContact CE3-CH2 4.42Å; W8-W206 HydrophobicContact CE3-CZ3 4.12Å; W8-W206 HydrophobicContact CG-CZ3 4.39Å
9K98.4Very high97.5Very high92 Ų9230.7 Ų30.740%0.415%0.149SC..SBendtrans-75.157.4176.5-165178.6172-173.90112.3A32 Y33 D34 I199 W206K9-A32 HydrophobicContact CB-CB 3.92Å; K9-A32 HydrophobicContact CD-CB 4.43Å; K9-A32 HydrophobicContact CG-CB 3.97Å; K9-Y33 PolarHBondContact N-O 3.43Å; K9-D34 WeakPolarHBondContact CD-OD2 3.31Å; K9-D34 IonicContact NZ-OD2 3.9Å; K9-D34 PolarHBondContact NZ-OD2 3.18Å; K9-I199 HydrophobicContact CG-CD1 3.9Å; K9-I199 HydrophobicContact CG-CG1 4.34Å; K9-W206 HydrophobicContact CB-CH2 4.4Å; K9-W206 HydrophobicContact CB-CZ2 4.19Å
10V98.5Very high97.6Very high2 Ų229.2 Ų29.21%0.01214%0.142CC..SBendtrans-137.1166.4-179-48.30000108.4Y7 W8 R18 P202 Q204 W206Y7-V10 HydrophobicContact CD1-CG2 4.22Å; Y7-V10 HydrophobicContact CE1-CG2 3.67Å; W8-V10 HydrophobicContact CB-CG1 4.16Å; W8-V10 HydrophobicContact CB-CG2 3.94Å; W8-V10 PolarHBondContact O-N 2.8Å; V10-R18 PolarHBondContact O-NH1 2.75Å; V10-R18 PolarHBondContact O-NH2 2.87Å; V10-P202 HydrophobicContact CB-CG 3.88Å; V10-P202 HydrophobicContact CG1-CG 3.47Å; V10-P202 VanDerWaalsContact CG1-CG 3.47Å; V10-Q204 WeakPolarHBondContact CB-O 3.38Å; V10-Q204 WeakPolarHBondContact CG1-O 3.24Å; V10-W206 HydrophobicContact CG1-CD2 4.13Å; V10-W206 HydrophobicContact CG1-CE3 4.16Å; V10-W206 HydrophobicContact CG1-CH2 3.7Å; V10-W206 HydrophobicContact CG1-CZ2 3.66Å; V10-W206 HydrophobicContact CG1-CZ3 3.95Å
11K98.7Very high97.6Very high2 Ų227.9 Ų27.91%0.00914%0.135CC..SBendtrans-63.5-64.6169.1-75.6-175.3170.6162.90110.8V14 Q15 D160 Y198 I199 K200 P202 L203K11-V14 WeakPolarHBondContact O-CG2 3.25Å; K11-V14 PolarHBondContact O-N 2.83Å; K11-Q15 HydrophobicContact CB-CB 3.88Å; K11-Q15 HydrophobicContact CB-CG 4.18Å; K11-Q15 HydrophobicContact CD-CG 4.24Å; K11-Q15 HydrophobicContact CG-CB 4.22Å; K11-Q15 HydrophobicContact CG-CG 3.97Å; K11-Q15 PolarHBondContact O-N 2.99Å; K11-Q15 VanDerWaalsContact O-N 3.15Å; K11-D160 IonicContact NZ-OD2 3.44Å; K11-D160 PolarHBondContact NZ-OD2 3.1Å; K11-Y198 WeakPolarHBondContact CE-OH 3.4Å; K11-Y198 PolarHBondContact NZ-OH 2.82Å; K11-I199 VanDerWaalsContact CE-O 3.29Å; K11-I199 WeakPolarHBondContact CE-O 3.49Å; K11-I199 VanDerWaalsContact CG-O 3.24Å; K11-I199 WeakPolarHBondContact CG-O 3.45Å; K11-K200 WeakPolarHBondContact CE-O 3.4Å; K11-K200 PolarHBondContact NZ-O 3.01Å; K11-K200 VanDerWaalsContact NZ-O 3.13Å; K11-P202 PolarHBondContact N-O 3.21Å; K11-L203 HydrophobicContact CD-CD2 3.9Å
12G98.1Very high98.4Very high4 Ų419 Ų194%0.0419%0.091CC..THydrogen-bonded Turntrans51.4-136.9171.700000113.8V14 R103 L203G12-V14 VanDerWaalsContact C-N 3.35Å; G12-R103 PolarHBondContact O-NH2 3.27Å; G12-R103 VanDerWaalsContact O-NH2 3.08Å; G12-L203 WeakPolarHBondContact CA-O 3.14Å; G12-L203 PolarHBondContact N-O 3.17Å
13L98Very high98.5Very high55 Ų5519.7 Ų19.729%0.2889%0.091SC..THydrogen-bonded Turntrans-81.4-12.7-176.8-61.6175.2000113.9Y7 M104 L107Y7-L13 PolarHBondContact OH-N 3.02Å; Y7-L13 VanDerWaalsContact OH-N 3.13Å; L13-M104 HydrophobicContact CD2-SD 4.05Å; L13-L107 HydrophobicContact CD2-CD2 4.28Å
14V98.6Very high98.6Very high0 Ų021.3 Ų21.30%010%0.099CC..THydrogen-bonded Turntrans-105.2-12.3-168.8-65.80000114.4F5 Y7 K11 G12 P16 T17 R18 P56F5-V14 HydrophobicContact CE1-CB 3.95Å; F5-V14 HydrophobicContact CE1-CG1 4.3Å; F5-V14 HydrophobicContact CE2-CG1 4.06Å; F5-V14 HydrophobicContact CZ-CB 3.51Å; F5-V14 HydrophobicContact CZ-CG1 3.5Å; F5-V14 VanDerWaalsContact CZ-CG1 3.5Å; F5-V14 HydrophobicContact CZ-CG2 4.47Å; Y7-V14 HydrophobicContact CD1-CB 4.03Å; Y7-V14 HydrophobicContact CD1-CG1 3.74Å; Y7-V14 HydrophobicContact CD1-CG2 3.12Å; Y7-V14 HydrophobicContact CD2-CG1 3.65Å; Y7-V14 HydrophobicContact CE1-CB 4.43Å; Y7-V14 HydrophobicContact CE1-CG1 4.14Å; Y7-V14 HydrophobicContact CE1-CG2 3.66Å; Y7-V14 HydrophobicContact CE2-CG1 4.11Å; Y7-V14 HydrophobicContact CG-CB 4.16Å; Y7-V14 HydrophobicContact CG-CG1 3.44Å; Y7-V14 VanDerWaalsContact CG-CG1 3.44Å; Y7-V14 HydrophobicContact CG-CG2 3.64Å; K11-V14 WeakPolarHBondContact O-CG2 3.25Å; K11-V14 PolarHBondContact O-N 2.83Å; G12-V14 VanDerWaalsContact C-N 3.35Å; V14-P16 VanDerWaalsContact C-CD 3.47Å; V14-P16 VanDerWaalsContact C-N 3.28Å; V14-T17 CarbonylContact O-C 3.52Å; V14-T17 WeakPolarHBondContact O-CA 3.3Å; V14-T17 VanDerWaalsContact O-CB 3.28Å; V14-T17 WeakPolarHBondContact O-CB 3.43Å; V14-T17 PolarHBondContact O-N 3.22Å; V14-R18 VanDerWaalsContact CG2-CZ 3.41Å; V14-R18 PolarHBondContact O-N 2.93Å; V14-P56 HydrophobicContact CG1-CB 3.38Å; V14-P56 HydrophobicContact CG1-CG 3.6Å
15Q98.8Very high98.6Very high2 Ų223.3 Ų23.31%0.00911%0.109CC..Hα-helixtrans-55.5-40.5-178.5-171.263.218.200112.7K11 T17 R18 L19 D157K11-Q15 HydrophobicContact CB-CB 3.88Å; K11-Q15 HydrophobicContact CB-CG 4.18Å; K11-Q15 HydrophobicContact CD-CG 4.24Å; K11-Q15 HydrophobicContact CG-CB 4.22Å; K11-Q15 HydrophobicContact CG-CG 3.97Å; K11-Q15 PolarHBondContact O-N 2.99Å; K11-Q15 VanDerWaalsContact O-N 3.15Å; Q15-T17 VanDerWaalsContact C-N 3.28Å; Q15-T17 PolarHBondContact O-N 3.12Å; Q15-R18 PolarHBondContact O-N 3.27Å; Q15-L19 HydrophobicContact CG-CD1 4.28Å; Q15-L19 VanDerWaalsContact O-CG 3.28Å; Q15-L19 WeakPolarHBondContact O-CG 3.44Å; Q15-L19 PolarHBondContact O-N 3.18Å; Q15-D157 WeakPolarHBondContact CB-OD1 3.49Å
16P98.9Very high98.5Very high13 Ų1325.7 Ų25.78%0.08412%0.121CC..Hα-helixtrans-58.3-37.6171.2-27.137.6000113.7V14 L19 L20 I72 F153 M154 D157V14-P16 VanDerWaalsContact C-CD 3.47Å; V14-P16 VanDerWaalsContact C-N 3.28Å; P16-L19 PolarHBondContact O-N 3.03Å; P16-L20 WeakPolarHBondContact O-CB 3.38Å; P16-L20 PolarHBondContact O-N 2.8Å; P16-I72 HydrophobicContact CB-CD1 3.74Å; P16-F153 HydrophobicContact CB-CB 4.47Å; P16-M154 HydrophobicContact CB-CB 4.36Å; P16-M154 HydrophobicContact CB-CG 3.76Å; P16-M154 HydrophobicContact CG-CB 4.43Å; P16-M154 HydrophobicContact CG-CG 4.19Å; P16-D157 HydrophobicContact CG-CB 3.81Å
17T98.9Very high98.5Very high2 Ų230.5 Ų30.51%0.01215%0.15CC..Hα-helixtrans-68.9-42.6177.2-51.40000112F5 V14 Q15 L19 L20 L21 I71 I75F5-T17 HydrophobicContact CE1-CG2 4.19Å; F5-T17 HydrophobicContact CE2-CG2 4.15Å; F5-T17 HydrophobicContact CZ-CG2 3.67Å; V14-T17 CarbonylContact O-C 3.52Å; V14-T17 WeakPolarHBondContact O-CA 3.3Å; V14-T17 VanDerWaalsContact O-CB 3.28Å; V14-T17 WeakPolarHBondContact O-CB 3.43Å; V14-T17 PolarHBondContact O-N 3.22Å; Q15-T17 VanDerWaalsContact C-N 3.28Å; Q15-T17 PolarHBondContact O-N 3.12Å; T17-L19 VanDerWaalsContact C-N 3.32Å; T17-L19 PolarHBondContact O-N 3.24Å; T17-L20 PolarHBondContact O-N 2.85Å; T17-L21 HydrophobicContact CG2-CD1 4.1Å; T17-L21 WeakPolarHBondContact O-CG 3.35Å; T17-L21 PolarHBondContact O-N 3.23Å; T17-I71 HydrophobicContact CG2-CG2 3.99Å; T17-I75 HydrophobicContact CG2-CD1 3.5Å
18R98.8Very high98.4Very high0 Ų031.1 Ų31.10%015%0.152CC..Hα-helixtrans-58.5-46.8174-63.9-173.7-171.8116.80.1110.5F5 W8 V10 V14 Q15 L20 L21 E22 E30 Y192F5-R18 HydrophobicContact CE1-CG 3.94Å; W8-R18 PolarHBondContact O-NH2 3.44Å; V10-R18 PolarHBondContact O-NH1 2.75Å; V10-R18 PolarHBondContact O-NH2 2.87Å; V14-R18 VanDerWaalsContact CG2-CZ 3.41Å; V14-R18 PolarHBondContact O-N 2.93Å; Q15-R18 PolarHBondContact O-N 3.27Å; R18-L20 VanDerWaalsContact C-N 3.35Å; R18-L20 PolarHBondContact O-N 3.18Å; R18-L21 PolarHBondContact O-N 2.81Å; R18-E22 WeakPolarHBondContact O-CB 3.39Å; R18-E22 WeakPolarHBondContact O-CG 3.37Å; R18-E22 PolarHBondContact O-N 2.9Å; R18-E30 IonicContact CZ-OE1 3.7Å; R18-E30 IonicContact CZ-OE2 2.89Å; R18-E30 VanDerWaalsContact NE-CD 3.34Å; R18-E30 IonicContact NE-OE1 2.95Å; R18-E30 PolarHBondContact NE-OE1 3.47Å; R18-E30 IonicContact NE-OE2 2.77Å; R18-E30 PolarHBondContact NE-OE2 3.08Å; R18-E30 IonicContact NH2-OE1 3.72Å; R18-E30 PolarHBondContact NH2-OE1 3.09Å; R18-Y192 HydrophobicContact CB-CE1 4.49Å; R18-Y192 WeakPolarHBondContact CB-OH 3.2Å; R18-Y192 VanDerWaalsContact CD-OH 3.25Å; R18-Y192 WeakPolarHBondContact CD-OH 3.37Å
19L98.9Very high98.4Very high0 Ų033.5 Ų33.50%017%0.166CC..Hα-helixtrans-60.5-42.8177.5-68.1165.2000112.1Q15 P16 T17 E22 H23 F153 Y156 I189 Y192Q15-L19 HydrophobicContact CG-CD1 4.28Å; Q15-L19 VanDerWaalsContact O-CG 3.28Å; Q15-L19 WeakPolarHBondContact O-CG 3.44Å; Q15-L19 PolarHBondContact O-N 3.18Å; P16-L19 PolarHBondContact O-N 3.03Å; T17-L19 VanDerWaalsContact C-N 3.32Å; T17-L19 PolarHBondContact O-N 3.24Å; L19-E22 PolarHBondContact O-N 3.38Å; L19-H23 WeakPolarHBondContact O-CB 3.39Å; L19-H23 PolarHBondContact O-N 2.9Å; L19-F153 HydrophobicContact CB-CB 3.99Å; L19-F153 HydrophobicContact CB-CD1 3.77Å; L19-F153 HydrophobicContact CB-CG 3.95Å; L19-F153 HydrophobicContact CD1-CB 4.38Å; L19-Y156 HydrophobicContact CD1-CD1 3.47Å; L19-Y156 VanDerWaalsContact CD1-CD1 3.47Å; L19-Y156 HydrophobicContact CD1-CE1 3.91Å; L19-Y156 HydrophobicContact CD2-CE1 4.38Å; L19-I189 HydrophobicContact CB-CD1 4.26Å; L19-I189 HydrophobicContact CD2-CD1 4.05Å; L19-I189 HydrophobicContact CD2-CG2 4.09Å; L19-I189 VanDerWaalsContact O-CD1 3.3Å; L19-I189 WeakPolarHBondContact O-CD1 3.45Å; L19-Y192 HydrophobicContact CD2-CD1 3.85Å; L19-Y192 HydrophobicContact CD2-CE1 3.83Å; L19-Y192 HydrophobicContact CG-CE1 4.42Å
20L98.8Very high98.4Very high0 Ų031.7 Ų31.70%016%0.159CC..Hα-helixtrans-62.8-47.1176.417963.7000111.9P16 T17 R18 E22 H23 L24 I72 I75 A76 M81 H150 F153P16-L20 WeakPolarHBondContact O-CB 3.38Å; P16-L20 PolarHBondContact O-N 2.8Å; T17-L20 PolarHBondContact O-N 2.85Å; R18-L20 VanDerWaalsContact C-N 3.35Å; R18-L20 PolarHBondContact O-N 3.18Å; L20-E22 VanDerWaalsContact C-N 3.35Å; L20-E22 PolarHBondContact O-N 3.08Å; L20-H23 PolarHBondContact O-N 2.96Å; L20-L24 HydrophobicContact CD1-CD1 3.73Å; L20-L24 HydrophobicContact CD1-CG 4.14Å; L20-L24 HydrophobicContact CG-CD1 3.82Å; L20-L24 WeakPolarHBondContact O-CB 3.42Å; L20-L24 VanDerWaalsContact O-CG 3.24Å; L20-L24 WeakPolarHBondContact O-CG 3.41Å; L20-L24 PolarHBondContact O-N 3.12Å; L20-I72 HydrophobicContact CD2-CD1 4.43Å; L20-I72 HydrophobicContact CD2-CG1 3.6Å; L20-I75 HydrophobicContact CD2-CB 4.07Å; L20-I75 HydrophobicContact CD2-CG2 3.74Å; L20-I75 HydrophobicContact CG-CG2 4.03Å; L20-A76 HydrophobicContact CD2-CB 4.3Å; L20-M81 HydrophobicContact CD1-CE 4.12Å; L20-M81 HydrophobicContact CD1-SD 4.09Å; L20-H150 HydrophobicContact CD1-CB 4.4Å; L20-H150 HydrophobicContact CD2-CB 3.87Å; L20-F153 HydrophobicContact CB-CD2 3.9Å; L20-F153 HydrophobicContact CB-CE2 4.29Å; L20-F153 HydrophobicContact CD1-CD2 3.89Å; L20-F153 HydrophobicContact CD1-CE2 3.67Å
21L98.7Very high98.3Very high1 Ų135.8 Ų35.81%0.00517%0.174CC..Hα-helixtrans-59.8-45.5177.9-74.2163.5000111.5F5 T17 R18 L24 E25 E26 Y28 I75F5-L21 HydrophobicContact CD1-CD1 4.41Å; T17-L21 HydrophobicContact CG2-CD1 4.1Å; T17-L21 WeakPolarHBondContact O-CG 3.35Å; T17-L21 PolarHBondContact O-N 3.23Å; R18-L21 PolarHBondContact O-N 2.81Å; L21-L24 CarbonylContact O-C 3.47Å; L21-L24 PolarHBondContact O-N 3.31Å; L21-E25 PolarHBondContact O-N 2.96Å; L21-E25 VanDerWaalsContact O-N 3.08Å; L21-E26 HydrophobicContact CD2-CB 3.79Å; L21-E26 HydrophobicContact CD2-CG 4.44Å; L21-E26 PolarHBondContact O-N 3.28Å; L21-Y28 HydrophobicContact CB-CD1 3.78Å; L21-Y28 HydrophobicContact CB-CE1 3.71Å; L21-Y28 HydrophobicContact CD1-CD1 3.88Å; L21-Y28 HydrophobicContact CD1-CD2 4.08Å; L21-Y28 HydrophobicContact CD1-CE1 4.16Å; L21-Y28 HydrophobicContact CD1-CE2 4.33Å; L21-Y28 HydrophobicContact CD1-CG 3.84Å; L21-Y28 HydrophobicContact CD2-CD1 4.42Å; L21-Y28 HydrophobicContact CG-CD1 4.24Å; L21-I75 HydrophobicContact CD1-CD1 4.21Å; L21-I75 HydrophobicContact CD2-CD1 3.86Å; L21-I75 HydrophobicContact CD2-CG1 4.26Å; L21-I75 HydrophobicContact CD2-CG2 4.02Å; L21-I75 HydrophobicContact CG-CD1 4.01Å
22E98.6Very high98.3Very high18 Ų1837 Ų378%0.08418%0.184CC..Hα-helixtrans-65.8-41.4178.4-66.2-80.5-171.500111.4R18 L19 L20 L24 E25 Y28 Q188 Y192 R197R18-E22 WeakPolarHBondContact O-CB 3.39Å; R18-E22 WeakPolarHBondContact O-CG 3.37Å; R18-E22 PolarHBondContact O-N 2.9Å; L19-E22 PolarHBondContact O-N 3.38Å; L20-E22 VanDerWaalsContact C-N 3.35Å; L20-E22 PolarHBondContact O-N 3.08Å; E22-L24 VanDerWaalsContact C-N 3.29Å; E22-L24 PolarHBondContact O-N 3.12Å; E22-E25 PolarHBondContact O-N 3.2Å; E22-E25 VanDerWaalsContact O-N 3.09Å; E22-Y28 HydrophobicContact CG-CE1 4.4Å; E22-Y28 PolarHBondContact OE1-OH 3.12Å; E22-Q188 WeakPolarHBondContact O-CB 3.48Å; E22-Y192 HydrophobicContact CB-CD1 4.42Å; E22-Y192 HydrophobicContact CB-CD2 4.49Å; E22-Y192 HydrophobicContact CB-CG 4.06Å; E22-Y192 VanDerWaalsContact CD-CD2 3.41Å; E22-Y192 HydrophobicContact CG-CD1 4.09Å; E22-Y192 HydrophobicContact CG-CD2 3.54Å; E22-Y192 HydrophobicContact CG-CE1 4.47Å; E22-Y192 HydrophobicContact CG-CE2 4Å; E22-Y192 HydrophobicContact CG-CG 3.58Å; E22-Y192 WeakPolarHBondContact OE1-CD2 3.4Å; E22-R197 IonicContact OE1-CZ 3.22Å; E22-R197 IonicContact OE1-NE 2.62Å; E22-R197 PolarHBondContact OE1-NE 3.36Å; E22-R197 IonicContact OE1-NH2 2.66Å; E22-R197 PolarHBondContact OE1-NH2 3.2Å; E22-R197 IonicContact OE2-CZ 3.71Å; E22-R197 IonicContact OE2-NH2 2.69Å; E22-R197 PolarHBondContact OE2-NH2 3.03Å
23H98.4Very high98.3Very high37 Ų3736.8 Ų36.817%0.17118%0.182CC..Hα-helixtrans-59.8-39.2174.5177.362000113.1L19 L20 E25 F153 I189L19-H23 WeakPolarHBondContact O-CB 3.39Å; L19-H23 PolarHBondContact O-N 2.9Å; L20-H23 PolarHBondContact O-N 2.96Å; H23-E25 PolarHBondContact O-N 3.01Å; H23-F153 HydrophobicContact CB-CE1 4.14Å; H23-F153 HydrophobicContact CB-CE2 4Å; H23-F153 HydrophobicContact CB-CZ 3.42Å; H23-F153 VanDerWaalsContact CB-CZ 3.42Å; H23-F153 AromaticContact CD2-CE2 3.92Å; H23-F153 AromaticContact CD2-CZ 3.6Å; H23-F153 AromaticContact CG-CZ 3.42Å; H23-F153 VanDerWaalsContact CG-CZ 3.42Å; H23-I189 HydrophobicContact CB-CD1 3.97Å
24L98.3Very high98.3Very high42 Ų4236.7 Ų36.722%0.2218%0.182CC..THydrogen-bonded Turntrans-80.6-3.4178.4-65.8171000113L20 L21 E22 E26 I75 H79 M81L20-L24 HydrophobicContact CD1-CD1 3.73Å; L20-L24 HydrophobicContact CD1-CG 4.14Å; L20-L24 HydrophobicContact CG-CD1 3.82Å; L20-L24 WeakPolarHBondContact O-CB 3.42Å; L20-L24 VanDerWaalsContact O-CG 3.24Å; L20-L24 WeakPolarHBondContact O-CG 3.41Å; L20-L24 PolarHBondContact O-N 3.12Å; L21-L24 CarbonylContact O-C 3.47Å; L21-L24 PolarHBondContact O-N 3.31Å; E22-L24 VanDerWaalsContact C-N 3.29Å; E22-L24 PolarHBondContact O-N 3.12Å; L24-E26 HydrophobicContact CB-CG 3.98Å; L24-E26 PolarHBondContact O-N 3.12Å; L24-E26 VanDerWaalsContact O-N 3.17Å; L24-I75 HydrophobicContact CD1-CG2 3.82Å; L24-H79 HydrophobicContact CD1-CB 4.38Å; L24-H79 HydrophobicContact CD2-CB 4.21Å; L24-M81 HydrophobicContact CD1-SD 4.35Å; L24-M81 HydrophobicContact CD2-SD 3.88Å
25E97.9Very high98.1Very high142 Ų14241.4 Ų41.466%0.66420%0.2SC*.THydrogen-bonded Turntrans54.130.7-174.8-56.5-178.577.200112.3L21 E22 H23 Q188L21-E25 PolarHBondContact O-N 2.96Å; L21-E25 VanDerWaalsContact O-N 3.08Å; E22-E25 PolarHBondContact O-N 3.2Å; E22-E25 VanDerWaalsContact O-N 3.09Å; H23-E25 PolarHBondContact O-N 3.01Å; E25-Q188 HydrophobicContact CG-CG 3.59Å; E25-Q188 PolarHBondContact OE2-NE2 2.72Å
26E97.5Very high98Very high50 Ų5047.9 Ų47.923%0.23424%0.235CC..  trans-73.1136.4179.1-86.2-77.8-154.700110.6L21 L24 Y28 H79L21-E26 HydrophobicContact CD2-CB 3.79Å; L21-E26 HydrophobicContact CD2-CG 4.44Å; L21-E26 PolarHBondContact O-N 3.28Å; L24-E26 HydrophobicContact CB-CG 3.98Å; L24-E26 PolarHBondContact O-N 3.12Å; L24-E26 VanDerWaalsContact O-N 3.17Å; E26-Y28 WeakPolarHBondContact O-CD1 3.25Å; E26-H79 IonicContact OE1-CE1 3.02Å; E26-H79 PolarHBondContact OE1-CE1 2.9Å; E26-H79 IonicContact OE1-NE2 3.27Å; E26-H79 PolarHBondContact OE1-NE2 3.28Å
27T97.3Very high97.9Very high100 Ų10049.7 Ų49.761%0.61324%0.242SC*.  trans-78127173.458.30000109.4P3P3-T27 VanDerWaalsContact CD-O 3.24Å; P3-T27 WeakPolarHBondContact CD-O 3.24Å
28Y98.1Very high97.7Very high32 Ų3254.3 Ų54.313%0.12527%0.265CS..  trans-145.5152.5174.169-81.2000111F5 L21 E22 E26 E30F5-Y28 HydrophobicContact CB-CD2 4.24Å; F5-Y28 HydrophobicContact CD1-CD2 4.37Å; F5-Y28 HydrophobicContact CD1-CE2 4.38Å; L21-Y28 HydrophobicContact CB-CD1 3.78Å; L21-Y28 HydrophobicContact CB-CE1 3.71Å; L21-Y28 HydrophobicContact CD1-CD1 3.88Å; L21-Y28 HydrophobicContact CD1-CD2 4.08Å; L21-Y28 HydrophobicContact CD1-CE1 4.16Å; L21-Y28 HydrophobicContact CD1-CE2 4.33Å; L21-Y28 HydrophobicContact CD1-CG 3.84Å; L21-Y28 HydrophobicContact CD2-CD1 4.42Å; L21-Y28 HydrophobicContact CG-CD1 4.24Å; E22-Y28 HydrophobicContact CG-CE1 4.4Å; E22-Y28 PolarHBondContact OE1-OH 3.12Å; E26-Y28 WeakPolarHBondContact O-CD1 3.25Å; Y28-E30 HydrophobicContact CD2-CB 4.37Å; Y28-E30 HydrophobicContact CE2-CB 4.13Å
29E97.8Very high97.6Very high109 Ų10960 Ų6051%0.50930%0.296SS..EExtended strand (participates in β ladder)trans-109.4116.8174.2-74.4177.9-16800109.8A2 P3 K4 F5A2-E29 HydrophobicContact CB-CG 4.13Å; P3-E29 PolarHBondContact O-N 2.96Å; K4-E29 WeakPolarHBondContact CA-O 3.44Å; F5-E29 PolarHBondContact N-O 3.49Å
30E98.2Very high97.5Very high55 Ų5561.3 Ų61.326%0.25731%0.307SS..EExtended strand (participates in β ladder)trans-92.6119.1-179.9-168174175.200112.5F5 R18 Y28 A32F5-E30 HydrophobicContact CD1-CG 4.4Å; F5-E30 CarbonylContact O-C 3.59Å; F5-E30 WeakPolarHBondContact O-CA 3.34Å; R18-E30 IonicContact CZ-OE1 3.7Å; R18-E30 IonicContact CZ-OE2 2.89Å; R18-E30 VanDerWaalsContact NE-CD 3.34Å; R18-E30 IonicContact NE-OE1 2.95Å; R18-E30 PolarHBondContact NE-OE1 3.47Å; R18-E30 IonicContact NE-OE2 2.77Å; R18-E30 PolarHBondContact NE-OE2 3.08Å; R18-E30 IonicContact NH2-OE1 3.72Å; R18-E30 PolarHBondContact NH2-OE1 3.09Å; Y28-E30 HydrophobicContact CD2-CB 4.37Å; Y28-E30 HydrophobicContact CE2-CB 4.13Å; E30-A32 HydrophobicContact CG-CB 4.24Å; E30-A32 PolarHBondContact O-N 3.01Å
31R97.7Very high97.4Very high88 Ų8862.3 Ų62.333%0.33231%0.31SS..EExtended strand (participates in β ladder)trans-86.887.5161.7-18057.2175.5132-4.6108.5F5 Y7 Y33 E37F5-R31 PolarHBondContact O-N 3.29Å; Y7-R31 PolarHBondContact N-O 3.39Å; Y7-R31 VanDerWaalsContact N-O 3.16Å; Y7-R31 VanDerWaalsContact O-O 3.1Å; R31-Y33 HydrophobicContact CB-CE2 4.48Å; R31-Y33 HydrophobicContact CG-CD2 4.23Å; R31-Y33 HydrophobicContact CG-CE1 4Å; R31-Y33 HydrophobicContact CG-CE2 3.67Å; R31-Y33 PolarHBondContact O-N 3.19Å; R31-E37 IonicContact CZ-OE1 2.77Å; R31-E37 IonicContact CZ-OE2 3.37Å; R31-E37 IonicContact NH1-OE1 2.9Å; R31-E37 PolarHBondContact NH1-OE1 2.83Å; R31-E37 VanDerWaalsContact NH1-OE1 3.15Å; R31-E37 IonicContact NH1-OE2 3.46Å; R31-E37 PolarHBondContact NH1-OE2 3.48Å; R31-E37 IonicContact NH2-OE1 3.21Å; R31-E37 PolarHBondContact NH2-OE1 3.04Å; R31-E37 IonicContact NH2-OE2 2.79Å
32A97.7Very high97.3Very high26 Ų2665.3 Ų65.322%0.21533%0.331CS..EExtended strand (participates in β ladder)trans-84.3101.6174.800000109.8Y7 K9 E30 D34Y7-A32 CarbonylContact O-C 3.59Å; Y7-A32 VanDerWaalsContact O-CA 3.32Å; Y7-A32 WeakPolarHBondContact O-CA 3.39Å; K9-A32 HydrophobicContact CB-CB 3.92Å; K9-A32 HydrophobicContact CD-CB 4.43Å; K9-A32 HydrophobicContact CG-CB 3.97Å; E30-A32 HydrophobicContact CG-CB 4.24Å; E30-A32 PolarHBondContact O-N 3.01Å; A32-D34 PolarHBondContact O-N 3.32Å
33Y98.4Very high97.2Very high0 Ų069 Ų690%035%0.351CS..EExtended strand (participates in β ladder)trans-71.4122.1175.8-62.6-86.8000109.6Y7 W8 K9 R31 E37 A40 W41 D44 L55 Y57 W206Y7-Y33 WeakPolarHBondContact O-CD2 3.45Å; Y7-Y33 PolarHBondContact O-N 3.48Å; W8-Y33 CarbonylContact C-O 3.48Å; W8-Y33 WeakPolarHBondContact CA-O 3.4Å; W8-Y33 VanDerWaalsContact CE3-CB 3.47Å; W8-Y33 HydrophobicContact CE3-CG 4.49Å; W8-Y33 HydrophobicContact CZ3-CG 4.35Å; K9-Y33 PolarHBondContact N-O 3.43Å; R31-Y33 HydrophobicContact CB-CE2 4.48Å; R31-Y33 HydrophobicContact CG-CD2 4.23Å; R31-Y33 HydrophobicContact CG-CE1 4Å; R31-Y33 HydrophobicContact CG-CE2 3.67Å; R31-Y33 PolarHBondContact O-N 3.19Å; Y33-E37 WeakPolarHBondContact CA-OE2 3.28Å; Y33-E37 HydrophobicContact CD1-CB 4.47Å; Y33-A40 HydrophobicContact CD1-CB 4.34Å; Y33-A40 HydrophobicContact CE1-CB 4.45Å; Y33-W41 HydrophobicContact CD1-CB 3.96Å; Y33-W41 HydrophobicContact CE1-CB 4.05Å; Y33-W41 HydrophobicContact CE2-CE3 4.1Å; Y33-W41 HydrophobicContact CG-CB 4.29Å; Y33-W41 AromaticContact CZ-CE3 3.96Å; Y33-D44 WeakPolarHBondContact CE1-OD2 3.48Å; Y33-D44 PolarHBondContact OH-OD2 3.31Å; Y33-L55 HydrophobicContact CD2-CD1 4.25Å; Y33-L55 HydrophobicContact CD2-CD2 4.13Å; Y33-L55 HydrophobicContact CE2-CD2 3.89Å; Y33-Y57 AromaticContact CE2-CE1 3.93Å; Y33-Y57 HydrophobicContact CE2-CE1 3.93Å; Y33-Y57 PolarHBondContact OH-OH 3.24Å; Y33-Y57 VanDerWaalsContact OH-OH 3.11Å; Y33-W206 WeakPolarHBondContact O-CH2 3.43Å
34D97.3Very high97.2Very high53 Ų5369.6 Ų69.628%0.28336%0.356SS..  trans-77.5171.3178.6-140.3-47.3000112K9 A32 N36 E37K9-D34 WeakPolarHBondContact CD-OD2 3.31Å; K9-D34 IonicContact NZ-OD2 3.9Å; K9-D34 PolarHBondContact NZ-OD2 3.18Å; A32-D34 PolarHBondContact O-N 3.32Å; D34-N36 PolarHBondContact O-N 3.34Å; D34-N36 VanDerWaalsContact O-N 3.15Å; D34-E37 HydrophobicContact CB-CG 4.12Å; D34-E37 PolarHBondContact N-OE2 3.34Å; D34-E37 WeakPolarHBondContact O-CB 3.48Å; D34-E37 PolarHBondContact O-N 2.88Å
35R96.3Very high97.1Very high100 Ų10070.7 Ų70.738%0.37736%0.359SS..THydrogen-bonded Turntrans-55-37.2-173.2-173.2178.9-176.2178.92.6113.4W206 D207 D214R35-W206 HydrophobicContact CB-CD2 3.66Å; R35-W206 HydrophobicContact CB-CE3 3.99Å; R35-W206 HydrophobicContact CB-CG 4.03Å; R35-W206 HydrophobicContact CB-CH2 4.35Å; R35-W206 HydrophobicContact CB-CZ2 4.05Å; R35-W206 HydrophobicContact CB-CZ3 4.33Å; R35-W206 HydrophobicContact CG-CB 4.02Å; R35-W206 HydrophobicContact CG-CD2 3.72Å; R35-W206 HydrophobicContact CG-CE3 3.99Å; R35-W206 HydrophobicContact CG-CG 3.72Å; R35-D207 IonicContact CZ-OD1 2.65Å; R35-D207 IonicContact NH2-OD1 3.98Å; R35-D207 PolarHBondContact NH2-OD1 3.01Å; R35-D207 VanDerWaalsContact NH2-OD1 3.07Å; R35-D214 IonicContact NH1-OD1 3.07Å; R35-D214 PolarHBondContact NH1-OD1 3.37Å; R35-D214 IonicContact NH1-OD2 3.96Å; R35-D214 PolarHBondContact NH1-OD2 3.04Å
36N96.2Very high97.1Very high138 Ų13871.2 Ų71.274%0.73836%0.359SS*.THydrogen-bonded Turntrans-91.56.2-178.762.7-18.6000113.4D34D34-N36 PolarHBondContact O-N 3.34Å; D34-N36 VanDerWaalsContact O-N 3.15Å
37E96.8Very high97.1Very high51 Ų5176.3 Ų76.324%0.23838%0.381CS..  trans-99.625.8-177.1-65.6-162.6103.400113.5R31 Y33 D34 D39 A40 W41R31-E37 IonicContact CZ-OE1 2.77Å; R31-E37 IonicContact CZ-OE2 3.37Å; R31-E37 IonicContact NH1-OE1 2.9Å; R31-E37 PolarHBondContact NH1-OE1 2.83Å; R31-E37 VanDerWaalsContact NH1-OE1 3.15Å; R31-E37 IonicContact NH1-OE2 3.46Å; R31-E37 PolarHBondContact NH1-OE2 3.48Å; R31-E37 IonicContact NH2-OE1 3.21Å; R31-E37 PolarHBondContact NH2-OE1 3.04Å; R31-E37 IonicContact NH2-OE2 2.79Å; Y33-E37 WeakPolarHBondContact CA-OE2 3.28Å; Y33-E37 HydrophobicContact CD1-CB 4.47Å; D34-E37 HydrophobicContact CB-CG 4.12Å; D34-E37 PolarHBondContact N-OE2 3.34Å; D34-E37 WeakPolarHBondContact O-CB 3.48Å; D34-E37 PolarHBondContact O-N 2.88Å; E37-D39 VanDerWaalsContact C-N 3.26Å; E37-D39 PolarHBondContact O-N 3.08Å; E37-A40 HydrophobicContact CB-CB 4.01Å; E37-A40 WeakPolarHBondContact O-CB 3.29Å; E37-A40 PolarHBondContact O-N 2.85Å; E37-A40 VanDerWaalsContact O-N 3.11Å; E37-W41 PolarHBondContact O-N 3.29Å
38I93.8Very high97.1Very high99 Ų9973.5 Ų73.551%0.50836%0.362SS..Hα-helixtrans-58.1-40.9177-62.3172000111.1W8 W41 S42W8-I38 HydrophobicContact CH2-CG1 4.41Å; I38-W41 PolarHBondContact O-N 3.08Å; I38-S42 WeakPolarHBondContact O-CB 3.35Å; I38-S42 PolarHBondContact O-N 3.36Å; I38-S42 PolarHBondContact O-OG 3.02Å
39D96.5Very high97.1Very high120 Ų12074.1 Ų74.164%0.64238%0.378SS*.Hα-helixtrans-69.1-35.3177.6-68.5-22.2000111.7E37 S42 N43E37-D39 VanDerWaalsContact C-N 3.26Å; E37-D39 PolarHBondContact O-N 3.08Å; D39-S42 PolarHBondContact O-N 2.98Å; D39-N43 WeakPolarHBondContact O-CB 3.36Å; D39-N43 VanDerWaalsContact O-CG 3.23Å; D39-N43 PolarHBondContact O-N 3.47Å; D39-N43 PolarHBondContact O-ND2 3.45Å
40A97.3Very high97.1Very high27 Ų2769.7 Ų69.722%0.22336%0.358CS..Hα-helixtrans-63.7-46.1175.700000110.8Y33 E37 S42 N43 D44Y33-A40 HydrophobicContact CD1-CB 4.34Å; Y33-A40 HydrophobicContact CE1-CB 4.45Å; E37-A40 HydrophobicContact CB-CB 4.01Å; E37-A40 WeakPolarHBondContact O-CB 3.29Å; E37-A40 PolarHBondContact O-N 2.85Å; E37-A40 VanDerWaalsContact O-N 3.11Å; A40-S42 PolarHBondContact O-N 2.81Å; A40-N43 PolarHBondContact O-N 3.4Å; A40-D44 PolarHBondContact O-N 2.99Å
41W97.7Very high97.1Very high21 Ų2175.1 Ų75.18%0.0838%0.383CS..Hα-helixtrans-61-45.4173166.4-126.3000111.7W8 Y33 E37 I38 N43 D44 K45 L48 L55 Y57W8-W41 HydrophobicContact CH2-CB 3.74Å; W8-W41 AromaticContact CH2-CD1 3.73Å; W8-W41 AromaticContact CH2-CG 3.97Å; W8-W41 HydrophobicContact CH2-CG 3.97Å; W8-W41 HydrophobicContact CZ2-CB 4.47Å; W8-W41 AromaticContact CZ2-CD1 3.68Å; W8-W41 HydrophobicContact CZ2-CG 4.22Å; W8-W41 HydrophobicContact CZ3-CB 4.27Å; Y33-W41 HydrophobicContact CD1-CB 3.96Å; Y33-W41 HydrophobicContact CE1-CB 4.05Å; Y33-W41 HydrophobicContact CE2-CE3 4.1Å; Y33-W41 HydrophobicContact CG-CB 4.29Å; Y33-W41 AromaticContact CZ-CE3 3.96Å; E37-W41 PolarHBondContact O-N 3.29Å; I38-W41 PolarHBondContact O-N 3.08Å; W41-N43 PolarHBondContact O-N 2.84Å; W41-D44 HydrophobicContact CE3-CB 4.35Å; W41-D44 PolarHBondContact O-N 2.85Å; W41-D44 VanDerWaalsContact O-N 3.08Å; W41-K45 HydrophobicContact CD2-CB 4.22Å; W41-K45 HydrophobicContact CE3-CB 4.23Å; W41-K45 HydrophobicContact CH2-CB 3.82Å; W41-K45 HydrophobicContact CH2-CD 4.49Å; W41-K45 HydrophobicContact CH2-CG 3.78Å; W41-K45 HydrophobicContact CZ2-CB 3.78Å; W41-K45 HydrophobicContact CZ2-CD 3.74Å; W41-K45 HydrophobicContact CZ2-CG 3.52Å; W41-K45 HydrophobicContact CZ3-CB 4.04Å; W41-K45 HydrophobicContact CZ3-CG 4.5Å; W41-K45 WeakPolarHBondContact O-CB 3.34Å; W41-K45 PolarHBondContact O-N 3.48Å; W41-L48 HydrophobicContact CZ3-CD1 4.14Å; W41-L55 HydrophobicContact CD2-CD1 3.66Å; W41-L55 HydrophobicContact CD2-CD2 4.26Å; W41-L55 HydrophobicContact CD2-CG 3.87Å; W41-L55 HydrophobicContact CE3-CD1 4.19Å; W41-L55 HydrophobicContact CE3-CD2 3.97Å; W41-L55 HydrophobicContact CE3-CG 4.08Å; W41-L55 HydrophobicContact CG-CD1 3.78Å; W41-L55 HydrophobicContact CH2-CD2 4.12Å; W41-L55 HydrophobicContact CH2-CG 3.97Å; W41-L55 HydrophobicContact CZ2-CD1 4.33Å; W41-L55 HydrophobicContact CZ2-CD2 4.4Å; W41-L55 HydrophobicContact CZ2-CG 3.75Å; W41-L55 HydrophobicContact CZ3-CD2 3.9Å; W41-L55 HydrophobicContact CZ3-CG 4.13Å; W41-Y57 HydrophobicContact CE3-CE1 4.44Å; W41-Y57 HydrophobicContact CH2-CD1 4.32Å; W41-Y57 AromaticContact CZ3-CD1 3.92Å; W41-Y57 HydrophobicContact CZ3-CD1 3.92Å; W41-Y57 AromaticContact CZ3-CE1 3.83Å; W41-Y57 HydrophobicContact CZ3-CE1 3.83Å
42S96.3Very high97.1Very high63 Ų6378.1 Ų78.144%0.44140%0.399SS..Hα-helixtrans-58.1-37.4179-60.90000112.2I38 D39 A40I38-S42 WeakPolarHBondContact O-CB 3.35Å; I38-S42 PolarHBondContact O-N 3.36Å; I38-S42 PolarHBondContact O-OG 3.02Å; D39-S42 PolarHBondContact O-N 2.98Å; A40-S42 PolarHBondContact O-N 2.81Å
43N96.7Very high97.2Very high95 Ų9578.6 Ų78.651%0.50840%0.4SS..Hα-helixtrans-71.2-33.8176.1-76.5-38.2000113.6D39 A40 W41 K47D39-N43 WeakPolarHBondContact O-CB 3.36Å; D39-N43 VanDerWaalsContact O-CG 3.23Å; D39-N43 PolarHBondContact O-N 3.47Å; D39-N43 PolarHBondContact O-ND2 3.45Å; A40-N43 PolarHBondContact O-N 3.4Å; W41-N43 PolarHBondContact O-N 2.84Å; N43-K47 WeakPolarHBondContact O-CD 3.3Å; N43-K47 WeakPolarHBondContact O-CE 3.5Å; N43-K47 PolarHBondContact O-NZ 2.87Å; N43-K47 VanDerWaalsContact O-NZ 3.1Å
44D96.7Very high97.2Very high51 Ų5182.1 Ų82.127%0.27342%0.419SS..Hα-helixtrans-82.5-35.2-179.6-72.1-12000112.6Y33 A40 W41 F46 K47 L48Y33-D44 WeakPolarHBondContact CE1-OD2 3.48Å; Y33-D44 PolarHBondContact OH-OD2 3.31Å; A40-D44 PolarHBondContact O-N 2.99Å; W41-D44 HydrophobicContact CE3-CB 4.35Å; W41-D44 PolarHBondContact O-N 2.85Å; W41-D44 VanDerWaalsContact O-N 3.08Å; D44-F46 VanDerWaalsContact C-N 3.29Å; D44-F46 PolarHBondContact O-N 2.77Å; D44-K47 PolarHBondContact O-N 3.08Å; D44-L48 HydrophobicContact CB-CD1 4.35Å; D44-L48 WeakPolarHBondContact O-CG 3.31Å; D44-L48 PolarHBondContact O-N 3.48Å
45K97.4Very high97.2Very high65 Ų6580.2 Ų80.228%0.28341%0.409SS..THydrogen-bonded Turntrans-43.8-48.4-166.8179.3171.3-178.1178.50114.2W41 P53W41-K45 HydrophobicContact CD2-CB 4.22Å; W41-K45 HydrophobicContact CE3-CB 4.23Å; W41-K45 HydrophobicContact CH2-CB 3.82Å; W41-K45 HydrophobicContact CH2-CD 4.49Å; W41-K45 HydrophobicContact CH2-CG 3.78Å; W41-K45 HydrophobicContact CZ2-CB 3.78Å; W41-K45 HydrophobicContact CZ2-CD 3.74Å; W41-K45 HydrophobicContact CZ2-CG 3.52Å; W41-K45 HydrophobicContact CZ3-CB 4.04Å; W41-K45 HydrophobicContact CZ3-CG 4.5Å; W41-K45 WeakPolarHBondContact O-CB 3.34Å; W41-K45 PolarHBondContact O-N 3.48Å; K45-P53 HydrophobicContact CD-CB 4.5Å; K45-P53 WeakPolarHBondContact CE-O 3.45Å; K45-P53 HydrophobicContact CG-CB 3.64Å; K45-P53 WeakPolarHBondContact O-CB 3.22Å
46F97.5Very high97.4Very high152 Ų15275.6 Ų75.667%0.66739%0.391SS*.THydrogen-bonded Turntrans-982.1-176.5-58.4-72.4000114.2D44 P53D44-F46 VanDerWaalsContact C-N 3.29Å; D44-F46 PolarHBondContact O-N 2.77Å; F46-P53 HydrophobicContact CD1-CB 4.22Å; F46-P53 HydrophobicContact CD1-CG 3.89Å; F46-P53 HydrophobicContact CE1-CB 4.18Å; F46-P53 HydrophobicContact CE1-CG 4.06Å
47K97.5Very high97.5Very high158 Ų15869.4 Ų69.469%0.68736%0.358SS*.THydrogen-bonded Turntrans-103.1-12.8-178.6-63-178.7-168152.50113.7N43 D44 G49N43-K47 WeakPolarHBondContact O-CD 3.3Å; N43-K47 WeakPolarHBondContact O-CE 3.5Å; N43-K47 PolarHBondContact O-NZ 2.87Å; N43-K47 VanDerWaalsContact O-NZ 3.1Å; D44-K47 PolarHBondContact O-N 3.08Å; K47-G49 PolarHBondContact O-N 3.23Å
48L97.3Very high97.6Very high40 Ų4067.1 Ų67.121%0.20935%0.347CS..SBendtrans-76.7-10.7179.1-66.3170.5000113.2W41 D44 L50 Y57 I59 K64W41-L48 HydrophobicContact CZ3-CD1 4.14Å; D44-L48 HydrophobicContact CB-CD1 4.35Å; D44-L48 WeakPolarHBondContact O-CG 3.31Å; D44-L48 PolarHBondContact O-N 3.48Å; L48-L50 HydrophobicContact CB-CD1 4.08Å; L48-L50 HydrophobicContact CB-CD2 4.46Å; L48-L50 HydrophobicContact CB-CG 3.84Å; L48-L50 HydrophobicContact CD1-CD1 4.08Å; L48-Y57 HydrophobicContact CD1-CD1 3.84Å; L48-Y57 HydrophobicContact CD1-CD2 4.42Å; L48-Y57 HydrophobicContact CD1-CE1 3.46Å; L48-Y57 VanDerWaalsContact CD1-CE1 3.46Å; L48-Y57 HydrophobicContact CD1-CE2 4.11Å; L48-Y57 HydrophobicContact CD1-CG 4.3Å; L48-I59 HydrophobicContact CB-CD1 4.32Å; L48-I59 HydrophobicContact CD2-CD1 4.22Å; L48-K64 PolarHBondContact O-NZ 3.31Å
49G97.6Very high97.8Very high46 Ų4663.5 Ų63.547%0.47433%0.328SS..  trans68.734.5-176.600000112.9K47 K64K47-G49 PolarHBondContact O-N 3.23Å; G49-K64 WeakPolarHBondContact O-CD 3.44Å
50L98.2Very high97.9Very high16 Ų1659.5 Ų59.58%0.08431%0.307CS..  trans-79.2133.8174.3-56.7170.1000109.3L48 P53 Y57 I59 K64 T66L48-L50 HydrophobicContact CB-CD1 4.08Å; L48-L50 HydrophobicContact CB-CD2 4.46Å; L48-L50 HydrophobicContact CB-CG 3.84Å; L48-L50 HydrophobicContact CD1-CD1 4.08Å; L50-P53 HydrophobicContact CB-CB 4.44Å; L50-P53 HydrophobicContact CB-CG 4.2Å; L50-P53 WeakPolarHBondContact O-CD 3.3Å; L50-P53 WeakPolarHBondContact O-CG 3.49Å; L50-Y57 HydrophobicContact CD1-CD1 4.32Å; L50-Y57 HydrophobicContact CD1-CG 4.23Å; L50-I59 HydrophobicContact CD2-CG1 4.44Å; L50-K64 HydrophobicContact CD2-CB 4.16Å; L50-T66 HydrophobicContact CB-CG2 4.26Å; L50-T66 HydrophobicContact CD1-CG2 3.87Å; L50-T66 HydrophobicContact CD2-CG2 4.09Å; L50-T66 HydrophobicContact CG-CG2 4.29Å
51E98.4Very high97.8Very high169 Ų16960.9 Ų60.979%0.7932%0.324SS*.SBendtrans-67.2-37.7175.3-67.4-177.5-97.100112.2P53E51-P53 WeakPolarHBondContact O-CD 3.37Å
52F98.4Very high97.8Very high151 Ų15167.7 Ų67.766%0.66236%0.362SS*.SBendtrans-122.876176-60.5-85.5000110.4N54 T66F52-N54 PolarHBondContact O-N 3.18Å; F52-N54 VanDerWaalsContact O-N 3.08Å; F52-T66 WeakPolarHBondContact O-CB 3.47Å; F52-T66 WeakPolarHBondContact O-CG2 3.37Å; F52-T66 PolarHBondContact O-OG1 3.12Å
53P98.4Very high97.9Very high35 Ų3569.1 Ų69.123%0.22736%0.36CS..  trans-54.3112.9-172.9-28.235.7000114K45 F46 L50 E51K45-P53 HydrophobicContact CD-CB 4.5Å; K45-P53 WeakPolarHBondContact CE-O 3.45Å; K45-P53 HydrophobicContact CG-CB 3.64Å; K45-P53 WeakPolarHBondContact O-CB 3.22Å; F46-P53 HydrophobicContact CD1-CB 4.22Å; F46-P53 HydrophobicContact CD1-CG 3.89Å; F46-P53 HydrophobicContact CE1-CB 4.18Å; F46-P53 HydrophobicContact CE1-CG 4.06Å; L50-P53 HydrophobicContact CB-CB 4.44Å; L50-P53 HydrophobicContact CB-CG 4.2Å; L50-P53 WeakPolarHBondContact O-CD 3.3Å; L50-P53 WeakPolarHBondContact O-CG 3.49Å; E51-P53 WeakPolarHBondContact O-CD 3.37Å
54N98.6Very high97.9Very high74 Ų7468.1 Ų68.140%0.39635%0.351SS..  trans-157.7167.8-177.2-150.6-9.7000111.5F52 P56 T66F52-N54 PolarHBondContact O-N 3.18Å; F52-N54 VanDerWaalsContact O-N 3.08Å; N54-P56 CarbonylContact O-C 3.38Å; N54-T66 HydrophobicContact CB-CG2 4.33Å
55L98.6Very high98Very high14 Ų1467.4 Ų67.47%0.07335%0.347CS..SBendtrans-109.6130.3165.4-70.6171.4000109.1Y7 W8 Y33 W41 Y57Y7-L55 HydrophobicContact CD2-CB 3.86Å; Y7-L55 HydrophobicContact CE2-CB 4.17Å; W8-L55 HydrophobicContact CD2-CD1 3.91Å; W8-L55 VanDerWaalsContact CE2-CD1 3.42Å; W8-L55 HydrophobicContact CE3-CD1 4.49Å; W8-L55 HydrophobicContact CG-CD1 4.35Å; W8-L55 HydrophobicContact CH2-CD1 4.2Å; W8-L55 HydrophobicContact CZ2-CD1 3.6Å; Y33-L55 HydrophobicContact CD2-CD1 4.25Å; Y33-L55 HydrophobicContact CD2-CD2 4.13Å; Y33-L55 HydrophobicContact CE2-CD2 3.89Å; W41-L55 HydrophobicContact CD2-CD1 3.66Å; W41-L55 HydrophobicContact CD2-CD2 4.26Å; W41-L55 HydrophobicContact CD2-CG 3.87Å; W41-L55 HydrophobicContact CE3-CD1 4.19Å; W41-L55 HydrophobicContact CE3-CD2 3.97Å; W41-L55 HydrophobicContact CE3-CG 4.08Å; W41-L55 HydrophobicContact CG-CD1 3.78Å; W41-L55 HydrophobicContact CH2-CD2 4.12Å; W41-L55 HydrophobicContact CH2-CG 3.97Å; W41-L55 HydrophobicContact CZ2-CD1 4.33Å; W41-L55 HydrophobicContact CZ2-CD2 4.4Å; W41-L55 HydrophobicContact CZ2-CG 3.75Å; W41-L55 HydrophobicContact CZ3-CD2 3.9Å; W41-L55 HydrophobicContact CZ3-CG 4.13Å; L55-Y57 HydrophobicContact CD2-CD1 3.61Å; L55-Y57 HydrophobicContact CD2-CE1 3.75Å
56P98.9Very high98.1Very high3 Ų364.9 Ų64.92%0.01934%0.338CS..SBendcis-76.3159.20.931.2-35.6000114.8F5 G6 Y7 V14 N54 T66 I71F5-P56 HydrophobicContact CE2-CB 4.03Å; G6-P56 WeakPolarHBondContact O-CA 3.39Å; G6-P56 WeakPolarHBondContact O-CB 3.13Å; Y7-P56 HydrophobicContact CD2-CB 3.69Å; Y7-P56 HydrophobicContact CD2-CG 4.27Å; Y7-P56 HydrophobicContact CE2-CB 4.35Å; Y7-P56 HydrophobicContact CE2-CG 4.46Å; Y7-P56 HydrophobicContact CG-CB 4.36Å; V14-P56 HydrophobicContact CG1-CB 3.38Å; V14-P56 HydrophobicContact CG1-CG 3.6Å; N54-P56 CarbonylContact O-C 3.38Å; P56-T66 WeakPolarHBondContact O-CA 3.36Å; P56-I71 HydrophobicContact CB-CD1 3.99Å; P56-I71 HydrophobicContact CG-CD1 3.93Å
57Y98.9Very high98.2Very high8 Ų863.1 Ų63.13%0.03133%0.331CS..EExtended strand (participates in β ladder)trans-122.9154.9164.466-105.5000111.1F5 G6 Y33 W41 L48 L50 L55 I59 L65F5-Y57 VanDerWaalsContact CD2-O 3.32Å; F5-Y57 WeakPolarHBondContact CD2-O 3.39Å; G6-Y57 VanDerWaalsContact CA-CZ 3.46Å; G6-Y57 PolarHBondContact N-O 2.63Å; G6-Y57 PolarHBondContact O-N 2.99Å; G6-Y57 VanDerWaalsContact O-N 3.08Å; Y33-Y57 AromaticContact CE2-CE1 3.93Å; Y33-Y57 HydrophobicContact CE2-CE1 3.93Å; Y33-Y57 PolarHBondContact OH-OH 3.24Å; Y33-Y57 VanDerWaalsContact OH-OH 3.11Å; W41-Y57 HydrophobicContact CE3-CE1 4.44Å; W41-Y57 HydrophobicContact CH2-CD1 4.32Å; W41-Y57 AromaticContact CZ3-CD1 3.92Å; W41-Y57 HydrophobicContact CZ3-CD1 3.92Å; W41-Y57 AromaticContact CZ3-CE1 3.83Å; W41-Y57 HydrophobicContact CZ3-CE1 3.83Å; L48-Y57 HydrophobicContact CD1-CD1 3.84Å; L48-Y57 HydrophobicContact CD1-CD2 4.42Å; L48-Y57 HydrophobicContact CD1-CE1 3.46Å; L48-Y57 VanDerWaalsContact CD1-CE1 3.46Å; L48-Y57 HydrophobicContact CD1-CE2 4.11Å; L48-Y57 HydrophobicContact CD1-CG 4.3Å; L50-Y57 HydrophobicContact CD1-CD1 4.32Å; L50-Y57 HydrophobicContact CD1-CG 4.23Å; L55-Y57 HydrophobicContact CD2-CD1 3.61Å; L55-Y57 HydrophobicContact CD2-CE1 3.75Å; Y57-I59 HydrophobicContact CD2-CD1 4.11Å; Y57-I59 HydrophobicContact CD2-CG1 4.15Å; Y57-I59 HydrophobicContact CE2-CD1 4.24Å; Y57-L65 CarbonylContact C-O 3.59Å; Y57-L65 VanDerWaalsContact CA-O 3.25Å; Y57-L65 WeakPolarHBondContact CA-O 3.43Å
58Y98.8Very high98.2Very high2 Ų256.5 Ų56.51%0.00831%0.305CS..EExtended strand (participates in β ladder)trans-138.8127.8174.7-172.5-94.1000109.7P3 K4 F5 D60 L65 I71 Y74 I75P3-Y58 HydrophobicContact CB-CE1 3.87Å; P3-Y58 HydrophobicContact CB-CE2 3.74Å; P3-Y58 WeakPolarHBondContact CB-OH 3.35Å; P3-Y58 HydrophobicContact CG-CE1 4.45Å; P3-Y58 VanDerWaalsContact CG-OH 3.25Å; P3-Y58 WeakPolarHBondContact CG-OH 3.37Å; K4-Y58 CarbonylContact O-C 3.54Å; K4-Y58 WeakPolarHBondContact O-CA 3.45Å; F5-Y58 HydrophobicContact CB-CD2 4.19Å; F5-Y58 AromaticContact CD2-CD2 3.91Å; F5-Y58 HydrophobicContact CD2-CD2 3.91Å; F5-Y58 HydrophobicContact CG-CD2 4.34Å; Y58-D60 HydrophobicContact CD1-CB 4.37Å; Y58-D60 HydrophobicContact CE1-CB 3.77Å; Y58-L65 PolarHBondContact N-O 2.96Å; Y58-L65 PolarHBondContact O-N 2.79Å; Y58-I71 HydrophobicContact CD2-CG2 4.05Å; Y58-I71 HydrophobicContact CG-CG2 3.94Å; Y58-Y74 HydrophobicContact CD1-CD1 4.25Å; Y58-Y74 HydrophobicContact CD1-CE1 4.3Å; Y58-Y74 AromaticContact CE1-CD1 3.99Å; Y58-Y74 HydrophobicContact CE1-CD1 3.99Å; Y58-Y74 AromaticContact CE1-CE1 3.79Å; Y58-Y74 HydrophobicContact CE1-CE1 3.79Å; Y58-I75 HydrophobicContact CD2-CD1 4.4Å; Y58-I75 HydrophobicContact CE2-CD1 4Å; Y58-I75 HydrophobicContact CE2-CG1 4.39Å
59I98.6Very high98.3Very high23 Ų2356.6 Ų56.612%0.11831%0.305CS..EExtended strand (participates in β ladder)trans-125.6111.4-176.7-58.1173.7000108.6P3 K4 L48 L50 Y57 F63 K64P3-I59 CarbonylContact C-O 3.52Å; P3-I59 WeakPolarHBondContact CA-O 3.29Å; K4-I59 HydrophobicContact CB-CB 4.3Å; K4-I59 PolarHBondContact N-O 3.11Å; K4-I59 PolarHBondContact O-N 2.92Å; L48-I59 HydrophobicContact CB-CD1 4.32Å; L48-I59 HydrophobicContact CD2-CD1 4.22Å; L50-I59 HydrophobicContact CD2-CG1 4.44Å; Y57-I59 HydrophobicContact CD2-CD1 4.11Å; Y57-I59 HydrophobicContact CD2-CG1 4.15Å; Y57-I59 HydrophobicContact CE2-CD1 4.24Å; I59-F63 WeakPolarHBondContact CA-O 3.16Å; I59-K64 HydrophobicContact CG1-CG 4.22Å; I59-K64 HydrophobicContact CG2-CG 4.13Å
60D97.8Very high98.4Very high37 Ų3756.4 Ų56.420%0.19830%0.299CS..EExtended strand (participates in β ladder)trans-116.293.1177.6-170.5-2.2000108.7P3 Y58 D62 F63 Y74 K78P3-D60 HydrophobicContact CB-CB 4.18Å; P3-D60 HydrophobicContact CG-CB 4.15Å; Y58-D60 HydrophobicContact CD1-CB 4.37Å; Y58-D60 HydrophobicContact CE1-CB 3.77Å; D60-D62 PolarHBondContact O-N 3.17Å; D60-F63 PolarHBondContact N-O 3.29Å; D60-F63 WeakPolarHBondContact O-CB 3.24Å; D60-F63 PolarHBondContact O-N 3.45Å; D60-F63 VanDerWaalsContact O-N 3.08Å; D60-Y74 HydrophobicContact CB-CE1 4.5Å; D60-Y74 PolarHBondContact OD2-OH 2.66Å; D60-K78 IonicContact OD2-NZ 3.83Å; D60-K78 PolarHBondContact OD2-NZ 3.33Å
61G96.4Very high98.4Very high56 Ų5655.6 Ų55.658%0.57730%0.295SS*.THydrogen-bonded Turntrans61.8-121.8-170.300000111.8F63G61-F63 VanDerWaalsContact C-N 3.34Å
62D96.4Very high98.4Very high164 Ų16447.7 Ų47.788%0.87726%0.258SS*.THydrogen-bonded Turntrans-83.4-12.3178.2-63.5-33.1000112.9D60D60-D62 PolarHBondContact O-N 3.17Å
63F98Very high98.5Very high92 Ų9243.7 Ų43.740%0.40424%0.238SC..EExtended strand (participates in β ladder)trans-86.3127.8-179.4-173.9-114.6000111.1I59 D60 G61 L65 Y74I59-F63 WeakPolarHBondContact CA-O 3.16Å; D60-F63 PolarHBondContact N-O 3.29Å; D60-F63 WeakPolarHBondContact O-CB 3.24Å; D60-F63 PolarHBondContact O-N 3.45Å; D60-F63 VanDerWaalsContact O-N 3.08Å; G61-F63 VanDerWaalsContact C-N 3.34Å; F63-L65 HydrophobicContact CD1-CD1 4.41Å; F63-L65 HydrophobicContact CD1-CG 4.3Å; F63-L65 HydrophobicContact CE1-CD1 3.41Å; F63-L65 VanDerWaalsContact CE1-CD1 3.41Å; F63-L65 HydrophobicContact CE1-CD2 4.1Å; F63-L65 HydrophobicContact CE1-CG 3.51Å; F63-L65 HydrophobicContact CE2-CD2 4.42Å; F63-L65 HydrophobicContact CZ-CD1 3.8Å; F63-L65 HydrophobicContact CZ-CD2 3.7Å; F63-L65 HydrophobicContact CZ-CG 3.66Å; F63-Y74 HydrophobicContact CD1-CD2 4.42Å; F63-Y74 HydrophobicContact CD1-CE1 4.05Å; F63-Y74 AromaticContact CD1-CE2 3.79Å; F63-Y74 HydrophobicContact CD1-CE2 3.79Å; F63-Y74 AromaticContact CD1-CZ 3.56Å; F63-Y74 HydrophobicContact CE1-CD1 4.25Å; F63-Y74 AromaticContact CE1-CD2 3.6Å; F63-Y74 HydrophobicContact CE1-CD2 3.6Å; F63-Y74 HydrophobicContact CE1-CE1 4.05Å; F63-Y74 AromaticContact CE1-CE2 3.36Å; F63-Y74 HydrophobicContact CE1-CE2 3.36Å; F63-Y74 HydrophobicContact CE1-CG 4.03Å; F63-Y74 AromaticContact CE1-CZ 3.59Å; F63-Y74 HydrophobicContact CZ-CD2 4.31Å; F63-Y74 HydrophobicContact CZ-CE2 4.2Å
64K98.6Very high98.5Very high74 Ų7444.8 Ų44.832%0.32224%0.238SC..EExtended strand (participates in β ladder)trans-133.4123.1-169.1-60.8176.9-173.5-176.30110.5L48 G49 L50 I59L48-K64 PolarHBondContact O-NZ 3.31Å; G49-K64 WeakPolarHBondContact O-CD 3.44Å; L50-K64 HydrophobicContact CD2-CB 4.16Å; I59-K64 HydrophobicContact CG1-CG 4.22Å; I59-K64 HydrophobicContact CG2-CG 4.13Å
65L98.8Very high98.5Very high36 Ų3641.3 Ų41.319%0.18822%0.22CC..EExtended strand (participates in β ladder)trans-124.2151.1-180-72.5178.2000111.8Y57 Y58 F63 I71 Y74Y57-L65 CarbonylContact C-O 3.59Å; Y57-L65 VanDerWaalsContact CA-O 3.25Å; Y57-L65 WeakPolarHBondContact CA-O 3.43Å; Y58-L65 PolarHBondContact N-O 2.96Å; Y58-L65 PolarHBondContact O-N 2.79Å; F63-L65 HydrophobicContact CD1-CD1 4.41Å; F63-L65 HydrophobicContact CD1-CG 4.3Å; F63-L65 HydrophobicContact CE1-CD1 3.41Å; F63-L65 VanDerWaalsContact CE1-CD1 3.41Å; F63-L65 HydrophobicContact CE1-CD2 4.1Å; F63-L65 HydrophobicContact CE1-CG 3.51Å; F63-L65 HydrophobicContact CE2-CD2 4.42Å; F63-L65 HydrophobicContact CZ-CD1 3.8Å; F63-L65 HydrophobicContact CZ-CD2 3.7Å; F63-L65 HydrophobicContact CZ-CG 3.66Å; L65-I71 HydrophobicContact CB-CG1 3.98Å; L65-Y74 HydrophobicContact CD1-CD1 4.18Å; L65-Y74 HydrophobicContact CD1-CD2 4.37Å; L65-Y74 HydrophobicContact CD1-CG 3.82Å
66T98.9Very high98.5Very high13 Ų1340.7 Ų40.78%0.0822%0.216CC..EExtended strand (participates in β ladder)trans-124.2-171.4156.463.70000108.5L50 F52 N54 P56L50-T66 HydrophobicContact CB-CG2 4.26Å; L50-T66 HydrophobicContact CD1-CG2 3.87Å; L50-T66 HydrophobicContact CD2-CG2 4.09Å; L50-T66 HydrophobicContact CG-CG2 4.29Å; F52-T66 WeakPolarHBondContact O-CB 3.47Å; F52-T66 WeakPolarHBondContact O-CG2 3.37Å; F52-T66 PolarHBondContact O-OG1 3.12Å; N54-T66 HydrophobicContact CB-CG2 4.33Å; P56-T66 WeakPolarHBondContact O-CA 3.36Å
67Q98.8Very high98.5Very high114 Ų11444.9 Ų44.953%0.53324%0.239SC..SBendtrans69113.1-171-59-69.3-11.800112.7M69 A70 I71Q67-M69 PolarHBondContact O-N 3.22Å; Q67-M69 VanDerWaalsContact O-N 3.16Å; Q67-A70 HydrophobicContact CB-CB 4.01Å; Q67-A70 PolarHBondContact O-N 3.11Å; Q67-I71 WeakPolarHBondContact O-CG1 3.39Å; Q67-I71 PolarHBondContact O-N 2.69Å
68S98.8Very high98.4Very high19 Ų1949 Ų4913%0.13326%0.256CS..Hα-helixtrans-53.4-41.4-176.653.10000113I71 I72S68-I71 PolarHBondContact O-N 3.44Å; S68-I72 PolarHBondContact O-N 2.95Å
69M98.9Very high98.4Very high43 Ų4351.8 Ų51.821%0.21227%0.27CS..Hα-helixtrans-70.2-34.6178.9-68.1-51.6-56.500113.3Q67 I72 R73 E96 L100 M154Q67-M69 PolarHBondContact O-N 3.22Å; Q67-M69 VanDerWaalsContact O-N 3.16Å; M69-I72 HydrophobicContact CE-CG2 4.07Å; M69-I72 HydrophobicContact SD-CG2 4.24Å; M69-R73 VanDerWaalsContact O-CB 3.24Å; M69-R73 WeakPolarHBondContact O-CB 3.35Å; M69-R73 WeakPolarHBondContact O-CD 3.46Å; M69-R73 WeakPolarHBondContact O-CG 3.36Å; M69-R73 PolarHBondContact O-N 3.35Å; M69-R73 VanDerWaalsContact O-N 3.14Å; M69-E96 HydrophobicContact CE-CB 4.02Å; M69-E96 HydrophobicContact CE-CG 3.92Å; M69-E96 WeakPolarHBondContact CE-OE2 3.44Å; M69-L100 HydrophobicContact CE-CD1 4.38Å; M69-L100 HydrophobicContact CG-CD1 4.11Å; M69-L100 HydrophobicContact SD-CD1 4Å; M69-L100 HydrophobicContact SD-CD2 4.17Å; M69-L100 HydrophobicContact SD-CG 4.47Å; M69-M154 HydrophobicContact CE-CE 3.64Å; M69-M154 HydrophobicContact CE-SD 3.86Å; M69-M154 HydrophobicContact SD-CE 3.65Å; M69-M154 HydrophobicContact SD-SD 4.27Å
70A98.8Very high98.4Very high41 Ų4157.7 Ų57.734%0.33930%0.302SS..Hα-helixtrans-67.6-41.5174.300000110.6Q67 Y74Q67-A70 HydrophobicContact CB-CB 4.01Å; Q67-A70 PolarHBondContact O-N 3.11Å; A70-Y74 VanDerWaalsContact O-CB 3.3Å; A70-Y74 WeakPolarHBondContact O-CB 3.13Å; A70-Y74 PolarHBondContact O-N 2.95Å
71I98.9Very high98.4Very high0 Ų057.2 Ų57.20%030%0.299CS..Hα-helixtrans-63.4-52.5179.2-65166.6000111.4F5 T17 P56 Y58 L65 Q67 S68 R73 Y74 I75F5-I71 HydrophobicContact CE2-CG2 4.13Å; T17-I71 HydrophobicContact CG2-CG2 3.99Å; P56-I71 HydrophobicContact CB-CD1 3.99Å; P56-I71 HydrophobicContact CG-CD1 3.93Å; Y58-I71 HydrophobicContact CD2-CG2 4.05Å; Y58-I71 HydrophobicContact CG-CG2 3.94Å; L65-I71 HydrophobicContact CB-CG1 3.98Å; Q67-I71 WeakPolarHBondContact O-CG1 3.39Å; Q67-I71 PolarHBondContact O-N 2.69Å; S68-I71 PolarHBondContact O-N 3.44Å; I71-R73 VanDerWaalsContact C-N 3.3Å; I71-R73 PolarHBondContact O-N 3.04Å; I71-Y74 PolarHBondContact O-N 2.92Å; I71-I75 HydrophobicContact CG2-CD1 3.95Å; I71-I75 WeakPolarHBondContact O-CG1 3.18Å; I71-I75 PolarHBondContact O-N 2.62Å; I71-I75 VanDerWaalsContact O-N 3.08Å
72I98.9Very high98.5Very high3 Ų355.3 Ų55.32%0.01528%0.275CS..Hα-helixtrans-64-37.8-178.8-162.8173.7000111.7P16 L20 S68 M69 I75 A76 H150 M154P16-I72 HydrophobicContact CB-CD1 3.74Å; L20-I72 HydrophobicContact CD2-CD1 4.43Å; L20-I72 HydrophobicContact CD2-CG1 3.6Å; S68-I72 PolarHBondContact O-N 2.95Å; M69-I72 HydrophobicContact CE-CG2 4.07Å; M69-I72 HydrophobicContact SD-CG2 4.24Å; I72-I75 PolarHBondContact O-N 2.9Å; I72-A76 WeakPolarHBondContact O-CB 3.44Å; I72-A76 PolarHBondContact O-N 3.14Å; I72-H150 HydrophobicContact CD1-CB 3.9Å; I72-H150 HydrophobicContact CG1-CB 3.9Å; I72-M154 HydrophobicContact CD1-CG 4.1Å
73R98.9Very high98.5Very high66 Ų6648.1 Ų48.125%0.24924%0.239CC..Hα-helixtrans-68.3-37.5176.1-72.8176.362.494.43112.1M69 I71 A76 D77 L82 S93 E96M69-R73 VanDerWaalsContact O-CB 3.24Å; M69-R73 WeakPolarHBondContact O-CB 3.35Å; M69-R73 WeakPolarHBondContact O-CD 3.46Å; M69-R73 WeakPolarHBondContact O-CG 3.36Å; M69-R73 PolarHBondContact O-N 3.35Å; M69-R73 VanDerWaalsContact O-N 3.14Å; I71-R73 VanDerWaalsContact C-N 3.3Å; I71-R73 PolarHBondContact O-N 3.04Å; R73-A76 PolarHBondContact O-N 2.91Å; R73-D77 VanDerWaalsContact O-CB 3.31Å; R73-D77 WeakPolarHBondContact O-CB 3.46Å; R73-D77 PolarHBondContact O-N 3.11Å; R73-L82 HydrophobicContact CB-CD1 4.48Å; R73-L82 HydrophobicContact CB-CD2 4.06Å; R73-L82 HydrophobicContact CG-CD2 4.1Å; R73-S93 PolarHBondContact NH1-OG 3.14Å; R73-S93 VanDerWaalsContact NH1-OG 3.11Å; R73-E96 IonicContact CZ-OE1 2.63Å; R73-E96 VanDerWaalsContact NH1-CD 3.33Å; R73-E96 IonicContact NH1-OE1 2.79Å; R73-E96 PolarHBondContact NH1-OE1 3.02Å; R73-E96 IonicContact NH1-OE2 3.87Å; R73-E96 PolarHBondContact NH1-OE2 3.26Å
74Y98.8Very high98.4Very high58 Ų5848 Ų4823%0.22726%0.256CS..Hα-helixtrans-61.5-45.9175172.3-106.5000111.8Y58 D60 F63 L65 A70 I71 D77 K78Y58-Y74 HydrophobicContact CD1-CD1 4.25Å; Y58-Y74 HydrophobicContact CD1-CE1 4.3Å; Y58-Y74 AromaticContact CE1-CD1 3.99Å; Y58-Y74 HydrophobicContact CE1-CD1 3.99Å; Y58-Y74 AromaticContact CE1-CE1 3.79Å; Y58-Y74 HydrophobicContact CE1-CE1 3.79Å; D60-Y74 HydrophobicContact CB-CE1 4.5Å; D60-Y74 PolarHBondContact OD2-OH 2.66Å; F63-Y74 HydrophobicContact CD1-CD2 4.42Å; F63-Y74 HydrophobicContact CD1-CE1 4.05Å; F63-Y74 AromaticContact CD1-CE2 3.79Å; F63-Y74 HydrophobicContact CD1-CE2 3.79Å; F63-Y74 AromaticContact CD1-CZ 3.56Å; F63-Y74 HydrophobicContact CE1-CD1 4.25Å; F63-Y74 AromaticContact CE1-CD2 3.6Å; F63-Y74 HydrophobicContact CE1-CD2 3.6Å; F63-Y74 HydrophobicContact CE1-CE1 4.05Å; F63-Y74 AromaticContact CE1-CE2 3.36Å; F63-Y74 HydrophobicContact CE1-CE2 3.36Å; F63-Y74 HydrophobicContact CE1-CG 4.03Å; F63-Y74 AromaticContact CE1-CZ 3.59Å; F63-Y74 HydrophobicContact CZ-CD2 4.31Å; F63-Y74 HydrophobicContact CZ-CE2 4.2Å; L65-Y74 HydrophobicContact CD1-CD1 4.18Å; L65-Y74 HydrophobicContact CD1-CD2 4.37Å; L65-Y74 HydrophobicContact CD1-CG 3.82Å; A70-Y74 VanDerWaalsContact O-CB 3.3Å; A70-Y74 WeakPolarHBondContact O-CB 3.13Å; A70-Y74 PolarHBondContact O-N 2.95Å; I71-Y74 PolarHBondContact O-N 2.92Å; Y74-D77 PolarHBondContact O-N 3.24Å; Y74-K78 HydrophobicContact CD1-CD 4.42Å; Y74-K78 HydrophobicContact CE1-CD 3.7Å; Y74-K78 HydrophobicContact CE1-CG 4.4Å; Y74-K78 HydrophobicContact CE2-CD 4.3Å; Y74-K78 HydrophobicContact CE2-CG 4.27Å; Y74-K78 PolarHBondContact O-N 3.5Å
75I98.7Very high98.4Very high2 Ų247.2 Ų47.21%0.0126%0.259CS..Hα-helixtrans-62.4-45.1176.4-66.1158000110.2T17 L20 L21 L24 Y58 I71 I72 D77 K78 H79T17-I75 HydrophobicContact CG2-CD1 3.5Å; L20-I75 HydrophobicContact CD2-CB 4.07Å; L20-I75 HydrophobicContact CD2-CG2 3.74Å; L20-I75 HydrophobicContact CG-CG2 4.03Å; L21-I75 HydrophobicContact CD1-CD1 4.21Å; L21-I75 HydrophobicContact CD2-CD1 3.86Å; L21-I75 HydrophobicContact CD2-CG1 4.26Å; L21-I75 HydrophobicContact CD2-CG2 4.02Å; L21-I75 HydrophobicContact CG-CD1 4.01Å; L24-I75 HydrophobicContact CD1-CG2 3.82Å; Y58-I75 HydrophobicContact CD2-CD1 4.4Å; Y58-I75 HydrophobicContact CE2-CD1 4Å; Y58-I75 HydrophobicContact CE2-CG1 4.39Å; I71-I75 HydrophobicContact CG2-CD1 3.95Å; I71-I75 WeakPolarHBondContact O-CG1 3.18Å; I71-I75 PolarHBondContact O-N 2.62Å; I71-I75 VanDerWaalsContact O-N 3.08Å; I72-I75 PolarHBondContact O-N 2.9Å; I75-D77 VanDerWaalsContact C-N 3.33Å; I75-D77 PolarHBondContact O-N 2.79Å; I75-K78 PolarHBondContact O-N 2.77Å; I75-H79 PolarHBondContact O-ND1 2.91Å
76A98.8Very high98.3Very high0 Ų050.1 Ų50.10%028%0.28CS..Hα-helixtrans-60.4-40.617500000112.4L20 I72 R73 H79 N80 M81 L82 H150L20-A76 HydrophobicContact CD2-CB 4.3Å; I72-A76 WeakPolarHBondContact O-CB 3.44Å; I72-A76 PolarHBondContact O-N 3.14Å; R73-A76 PolarHBondContact O-N 2.91Å; A76-H79 CarbonylContact O-C 3.58Å; A76-H79 PolarHBondContact O-N 3.39Å; A76-H79 VanDerWaalsContact O-N 3.12Å; A76-N80 PolarHBondContact O-N 2.85Å; A76-M81 HydrophobicContact CB-CB 4Å; A76-M81 WeakPolarHBondContact O-CB 3.27Å; A76-M81 PolarHBondContact O-N 3.12Å; A76-L82 HydrophobicContact CB-CD2 3.84Å; A76-L82 HydrophobicContact CB-CG 4.35Å; A76-H150 HydrophobicContact CB-CB 4.3Å; A76-H150 WeakPolarHBondContact CB-ND1 3.38Å
77D98.6Very high98.3Very high92 Ų9256.6 Ų56.649%0.49231%0.307SS..Hα-helixtrans-66.4-42.3-179-157.622.3000112.2R73 Y74 I75 H79 N80 L82R73-D77 VanDerWaalsContact O-CB 3.31Å; R73-D77 WeakPolarHBondContact O-CB 3.46Å; R73-D77 PolarHBondContact O-N 3.11Å; Y74-D77 PolarHBondContact O-N 3.24Å; I75-D77 VanDerWaalsContact C-N 3.33Å; I75-D77 PolarHBondContact O-N 2.79Å; D77-H79 PolarHBondContact O-N 3.31Å; D77-N80 PolarHBondContact O-N 3.11Å; D77-L82 HydrophobicContact CB-CD1 3.57Å; D77-L82 HydrophobicContact CB-CG 3.91Å
78K98.1Very high98.3Very high93 Ų9354.2 Ų54.240%0.40430%0.296SS..Hα-helixtrans-54.7-23.8172.6-75.6-174.870.3-179.10112.9D60 Y74 I75D60-K78 IonicContact OD2-NZ 3.83Å; D60-K78 PolarHBondContact OD2-NZ 3.33Å; Y74-K78 HydrophobicContact CD1-CD 4.42Å; Y74-K78 HydrophobicContact CE1-CD 3.7Å; Y74-K78 HydrophobicContact CE1-CG 4.4Å; Y74-K78 HydrophobicContact CE2-CD 4.3Å; Y74-K78 HydrophobicContact CE2-CG 4.27Å; Y74-K78 PolarHBondContact O-N 3.5Å; I75-K78 PolarHBondContact O-N 2.77Å
79H98.2Very high98.2Very high61 Ų6158 Ų5828%0.28231%0.307SS..THydrogen-bonded Turntrans-108.314.3-179.4-63.281.2000113.2L24 E26 I75 A76 D77 M81L24-H79 HydrophobicContact CD1-CB 4.38Å; L24-H79 HydrophobicContact CD2-CB 4.21Å; E26-H79 IonicContact OE1-CE1 3.02Å; E26-H79 PolarHBondContact OE1-CE1 2.9Å; E26-H79 IonicContact OE1-NE2 3.27Å; E26-H79 PolarHBondContact OE1-NE2 3.28Å; I75-H79 PolarHBondContact O-ND1 2.91Å; A76-H79 CarbonylContact O-C 3.58Å; A76-H79 PolarHBondContact O-N 3.39Å; A76-H79 VanDerWaalsContact O-N 3.12Å; D77-H79 PolarHBondContact O-N 3.31Å; H79-M81 HydrophobicContact CB-CG 3.96Å; H79-M81 HydrophobicContact CB-SD 4Å; H79-M81 PolarHBondContact O-N 2.77Å
80N97.7Very high98.2Very high148 Ų14858.9 Ų58.979%0.79132%0.321SS*.THydrogen-bonded Turntrans58.229.6-179.1-55.4-68.4000114.1A76 D77A76-N80 PolarHBondContact O-N 2.85Å; D77-N80 PolarHBondContact O-N 3.11Å
81M98.3Very high98.2Very high27 Ų2759.4 Ų59.413%0.13332%0.317CS..  trans-96.51.5-175.9-60176.376.800114.1L20 L24 A76 H79 G83 V148L20-M81 HydrophobicContact CD1-CE 4.12Å; L20-M81 HydrophobicContact CD1-SD 4.09Å; L24-M81 HydrophobicContact CD1-SD 4.35Å; L24-M81 HydrophobicContact CD2-SD 3.88Å; A76-M81 HydrophobicContact CB-CB 4Å; A76-M81 WeakPolarHBondContact O-CB 3.27Å; A76-M81 PolarHBondContact O-N 3.12Å; H79-M81 HydrophobicContact CB-CG 3.96Å; H79-M81 HydrophobicContact CB-SD 4Å; H79-M81 PolarHBondContact O-N 2.77Å; M81-G83 VanDerWaalsContact C-N 3.33Å; M81-V148 HydrophobicContact CE-CG1 4.38Å; M81-V148 WeakPolarHBondContact CE-O 3.46Å
82L97.9Very high98.2Very high15 Ų1559.4 Ų59.48%0.07932%0.317CS..SBendtrans-80.4-12.9178.2-71.8-167.9000114.1R73 A76 D77 R89 I92R73-L82 HydrophobicContact CB-CD1 4.48Å; R73-L82 HydrophobicContact CB-CD2 4.06Å; R73-L82 HydrophobicContact CG-CD2 4.1Å; A76-L82 HydrophobicContact CB-CD2 3.84Å; A76-L82 HydrophobicContact CB-CG 4.35Å; D77-L82 HydrophobicContact CB-CD1 3.57Å; D77-L82 HydrophobicContact CB-CG 3.91Å; L82-R89 WeakPolarHBondContact O-CA 3.49Å; L82-R89 VanDerWaalsContact O-CG 3.25Å; L82-R89 WeakPolarHBondContact O-CG 3.24Å; L82-I92 VanDerWaalsContact C-CD1 3.49Å; L82-I92 VanDerWaalsContact O-CD1 3.3Å; L82-I92 WeakPolarHBondContact O-CD1 3.41Å
83G97Very high98.2Very high13 Ų1361.4 Ų61.413%0.13433%0.331CS..  trans107.9137.7-177.200000113.1M81 C85 E88 R89M81-G83 VanDerWaalsContact C-N 3.33Å; G83-C85 PolarHBondContact O-N 2.87Å; G83-E88 WeakPolarHBondContact CA-OE2 3.4Å; G83-R89 VanDerWaalsContact O-CG 3.29Å; G83-R89 WeakPolarHBondContact O-CG 3.43Å; G83-R89 PolarHBondContact O-NH1 3.28Å
84A96Very high98.2Very high91 Ų9164 Ų6475%0.75235%0.347SS*.SBendtrans-77.9-21.8-17000000113.5E88 R89A84-E88 PolarHBondContact N-OE2 3.42Å; A84-R89 PolarHBondContact O-NH1 2.95Å
85C97.7Very high98.2Very high57 Ų5761.7 Ų61.739%0.38534%0.339SS..SBendtrans-134.2163.8-177.271.90000112.4G83 K87 E88 R89G83-C85 PolarHBondContact O-N 2.87Å; C85-K87 PolarHBondContact O-N 3.5Å; C85-E88 PolarHBondContact O-N 3.35Å; C85-E88 PolarHBondContact SG-N 2.85Å; C85-E88 VanDerWaalsContact SG-N 3.44Å; C85-R89 WeakPolarHBondContact O-CG 3.21Å; C85-R89 PolarHBondContact O-N 2.93Å
86P98.6Very high98.2Very high97 Ų9762.4 Ų62.463%0.6334%0.342SS*.Hα-helixtrans-54.1-38.5179-27.635.4000113.6A90P86-A90 WeakPolarHBondContact O-CB 3.18Å; P86-A90 PolarHBondContact O-N 3.47Å
87K98.3Very high98.2Very high148 Ų14864 Ų6464%0.64336%0.358SS*.Hα-helixtrans-62.8-50.1178.1-178-178.1174.3-174.60111.5C85 A90 E91C85-K87 PolarHBondContact O-N 3.5Å; K87-A90 WeakPolarHBondContact O-CB 3.38Å; K87-A90 PolarHBondContact O-N 3.49Å; K87-E91 WeakPolarHBondContact CE-OE1 3.49Å; K87-E91 PolarHBondContact O-N 3.02Å
88E97.6Very high98.2Very high64 Ų6461 Ų6130%0.29935%0.346SS..Hα-helixtrans-67-40.3-179.2-172.2175.4-147.900112.1G83 A84 C85 A90 E91 I92 N144G83-E88 WeakPolarHBondContact CA-OE2 3.4Å; A84-E88 PolarHBondContact N-OE2 3.42Å; C85-E88 PolarHBondContact O-N 3.35Å; C85-E88 PolarHBondContact SG-N 2.85Å; C85-E88 VanDerWaalsContact SG-N 3.44Å; E88-A90 PolarHBondContact O-N 2.95Å; E88-E91 PolarHBondContact O-N 3.48Å; E88-E91 VanDerWaalsContact O-N 3.12Å; E88-I92 HydrophobicContact CG-CD1 4.15Å; E88-I92 PolarHBondContact O-N 2.93Å; E88-N144 PolarHBondContact OE1-ND2 3.32Å; E88-N144 VanDerWaalsContact OE1-ND2 3.11Å
89R98.5Very high98.2Very high98 Ų9856.6 Ų56.637%0.3733%0.327SS..Hα-helixtrans-58.6-36.8172.5-72.9-169.1-73.2-85.59112.4L82 G83 A84 C85 S93L82-R89 WeakPolarHBondContact O-CA 3.49Å; L82-R89 VanDerWaalsContact O-CG 3.25Å; L82-R89 WeakPolarHBondContact O-CG 3.24Å; G83-R89 VanDerWaalsContact O-CG 3.29Å; G83-R89 WeakPolarHBondContact O-CG 3.43Å; G83-R89 PolarHBondContact O-NH1 3.28Å; A84-R89 PolarHBondContact O-NH1 2.95Å; C85-R89 WeakPolarHBondContact O-CG 3.21Å; C85-R89 PolarHBondContact O-N 2.93Å; R89-S93 WeakPolarHBondContact O-CB 3.5Å; R89-S93 PolarHBondContact O-N 3.3Å; R89-S93 PolarHBondContact O-OG 3.45Å
90A98.6Very high98.2Very high62 Ų6256 Ų5651%0.51233%0.326SS..Hα-helixtrans-70.5-40.6175.200000111.8P86 K87 E88 S93 M94P86-A90 WeakPolarHBondContact O-CB 3.18Å; P86-A90 PolarHBondContact O-N 3.47Å; K87-A90 WeakPolarHBondContact O-CB 3.38Å; K87-A90 PolarHBondContact O-N 3.49Å; E88-A90 PolarHBondContact O-N 2.95Å; A90-S93 PolarHBondContact O-N 2.98Å; A90-M94 WeakPolarHBondContact O-CB 3.3Å; A90-M94 PolarHBondContact O-N 2.9Å
91E98.2Very high98.3Very high52 Ų5253.1 Ų53.124%0.24331%0.311CS..Hα-helixtrans-61.4-45.9174.4-72-169.3-152.100112K87 E88 M94 L95 R136K87-E91 WeakPolarHBondContact CE-OE1 3.49Å; K87-E91 PolarHBondContact O-N 3.02Å; E88-E91 PolarHBondContact O-N 3.48Å; E88-E91 VanDerWaalsContact O-N 3.12Å; E91-M94 WeakPolarHBondContact O-CB 3.28Å; E91-M94 PolarHBondContact O-N 3.34Å; E91-L95 WeakPolarHBondContact O-CG 3.28Å; E91-L95 PolarHBondContact O-N 2.85Å; E91-R136 IonicContact OE2-CZ 3.04Å; E91-R136 IonicContact OE2-NH1 3.17Å; E91-R136 IonicContact OE2-NH2 3.48Å; E91-R136 PolarHBondContact OE2-NH2 3.18Å; E91-R136 VanDerWaalsContact OE2-NH2 3.12Å
92I98.5Very high98.3Very high1 Ų152 Ų521%0.00531%0.305CS..Hα-helixtrans-63.2-45.7177.4-72.4167.1000110.9L82 E88 M94 L95 E96 T149 P151L82-I92 VanDerWaalsContact C-CD1 3.49Å; L82-I92 VanDerWaalsContact O-CD1 3.3Å; L82-I92 WeakPolarHBondContact O-CD1 3.41Å; E88-I92 HydrophobicContact CG-CD1 4.15Å; E88-I92 PolarHBondContact O-N 2.93Å; I92-M94 VanDerWaalsContact C-N 3.28Å; I92-M94 PolarHBondContact O-N 3.44Å; I92-L95 WeakPolarHBondContact O-CB 3.45Å; I92-L95 PolarHBondContact O-N 3.36Å; I92-L95 VanDerWaalsContact O-N 3.14Å; I92-E96 WeakPolarHBondContact O-CG 3.46Å; I92-E96 PolarHBondContact O-N 2.75Å; I92-T149 HydrophobicContact CD1-CG2 4.14Å; I92-P151 HydrophobicContact CG2-CG 3.99Å
93S98.7Very high98.3Very high44 Ų4451.8 Ų51.831%0.30830%0.303SS..Hα-helixtrans-63.2-33.7176.7-54.20000112.7R73 R89 A90 E96 G97R73-S93 PolarHBondContact NH1-OG 3.14Å; R73-S93 VanDerWaalsContact NH1-OG 3.11Å; R89-S93 WeakPolarHBondContact O-CB 3.5Å; R89-S93 PolarHBondContact O-N 3.3Å; R89-S93 PolarHBondContact O-OG 3.45Å; A90-S93 PolarHBondContact O-N 2.98Å; S93-E96 WeakPolarHBondContact O-CB 3.37Å; S93-E96 PolarHBondContact O-N 2.87Å; S93-G97 PolarHBondContact O-N 2.9Å; S93-G97 VanDerWaalsContact O-N 3.08Å
94M98.7Very high98.4Very high121 Ų12154 Ų5460%0.59631%0.311SS*.Hα-helixtrans-66.5-40.7173.9-179.217664.100111.6A90 E91 I92 G97 A98A90-M94 WeakPolarHBondContact O-CB 3.3Å; A90-M94 PolarHBondContact O-N 2.9Å; E91-M94 WeakPolarHBondContact O-CB 3.28Å; E91-M94 PolarHBondContact O-N 3.34Å; I92-M94 VanDerWaalsContact C-N 3.28Å; I92-M94 PolarHBondContact O-N 3.44Å; M94-G97 PolarHBondContact O-N 3.26Å; M94-A98 PolarHBondContact O-N 3.11Å
95L98.7Very high98.5Very high10 Ų1050 Ų505%0.05228%0.279CS..Hα-helixtrans-62.4-44.1173.8-66.5167.4000111.2E91 I92 G97 A98 V99 R136 L143 P151E91-L95 WeakPolarHBondContact O-CG 3.28Å; E91-L95 PolarHBondContact O-N 2.85Å; I92-L95 WeakPolarHBondContact O-CB 3.45Å; I92-L95 PolarHBondContact O-N 3.36Å; I92-L95 VanDerWaalsContact O-N 3.14Å; L95-G97 VanDerWaalsContact C-N 3.35Å; L95-G97 PolarHBondContact O-N 3.37Å; L95-A98 PolarHBondContact O-N 3Å; L95-V99 VanDerWaalsContact O-CG2 3.32Å; L95-V99 WeakPolarHBondContact O-CG2 3.49Å; L95-V99 PolarHBondContact O-N 3.11Å; L95-R136 HydrophobicContact CD2-CG 4.17Å; L95-L143 HydrophobicContact CD1-CB 3.82Å; L95-L143 HydrophobicContact CD2-CB 4.22Å; L95-P151 HydrophobicContact CB-CB 3.87Å; L95-P151 HydrophobicContact CB-CG 4.1Å
96E98.8Very high98.6Very high16 Ų1647.4 Ų47.48%0.07526%0.261CS..Hα-helixtrans-53.8-51.5174.1-66.9169.6-160.700111.4M69 R73 I92 S93 A98 V99 L100 H150 P151 M154M69-E96 HydrophobicContact CE-CB 4.02Å; M69-E96 HydrophobicContact CE-CG 3.92Å; M69-E96 WeakPolarHBondContact CE-OE2 3.44Å; R73-E96 IonicContact CZ-OE1 2.63Å; R73-E96 VanDerWaalsContact NH1-CD 3.33Å; R73-E96 IonicContact NH1-OE1 2.79Å; R73-E96 PolarHBondContact NH1-OE1 3.02Å; R73-E96 IonicContact NH1-OE2 3.87Å; R73-E96 PolarHBondContact NH1-OE2 3.26Å; I92-E96 WeakPolarHBondContact O-CG 3.46Å; I92-E96 PolarHBondContact O-N 2.75Å; S93-E96 WeakPolarHBondContact O-CB 3.37Å; S93-E96 PolarHBondContact O-N 2.87Å; E96-A98 PolarHBondContact O-N 3.18Å; E96-V99 PolarHBondContact O-N 3.34Å; E96-L100 VanDerWaalsContact O-CG 3.31Å; E96-L100 WeakPolarHBondContact O-CG 3.41Å; E96-L100 PolarHBondContact O-N 3.08Å; E96-H150 VanDerWaalsContact CD-NE2 3.28Å; E96-H150 WeakPolarHBondContact CG-NE2 3.14Å; E96-H150 IonicContact OE1-CD2 2.84Å; E96-H150 IonicContact OE1-CE1 3.12Å; E96-H150 PolarHBondContact OE1-CE1 2.77Å; E96-H150 IonicContact OE1-NE2 3.54Å; E96-H150 PolarHBondContact OE1-NE2 2.9Å; E96-P151 HydrophobicContact CG-CG 3.9Å; E96-M154 HydrophobicContact CB-CE 4.21Å; E96-M154 HydrophobicContact CB-SD 4.46Å; E96-M154 HydrophobicContact CG-SD 4.13Å
97G98.7Very high98.5Very high33 Ų3344.6 Ų44.634%0.3424%0.241SC..Hα-helixtrans-59.4-47.1-179.100000112.5S93 M94 L95 V99 L100 D101S93-G97 PolarHBondContact O-N 2.9Å; S93-G97 VanDerWaalsContact O-N 3.08Å; M94-G97 PolarHBondContact O-N 3.26Å; L95-G97 VanDerWaalsContact C-N 3.35Å; L95-G97 PolarHBondContact O-N 3.37Å; G97-V99 VanDerWaalsContact C-N 3.29Å; G97-V99 PolarHBondContact O-N 3.27Å; G97-L100 PolarHBondContact O-N 3.17Å; G97-D101 PolarHBondContact O-N 3.39Å
98A98.8Very high98.5Very high29 Ų2946.9 Ų46.924%0.2425%0.245CC..Hα-helixtrans-62.4-35.917900000112.4M94 L95 E96 F133M94-A98 PolarHBondContact O-N 3.11Å; L95-A98 PolarHBondContact O-N 3Å; E96-A98 PolarHBondContact O-N 3.18Å; A98-F133 HydrophobicContact CB-CE1 4.25Å; A98-F133 HydrophobicContact CB-CE2 4.28Å; A98-F133 HydrophobicContact CB-CZ 3.56Å
99V98.9Very high98.5Very high1 Ų144.8 Ų44.81%0.00624%0.236CC..Hα-helixtrans-71.3-40.6176.7174.90000110.4L95 E96 G97 D101 I102 R103 F133 M154 L155 A158L95-V99 VanDerWaalsContact O-CG2 3.32Å; L95-V99 WeakPolarHBondContact O-CG2 3.49Å; L95-V99 PolarHBondContact O-N 3.11Å; E96-V99 PolarHBondContact O-N 3.34Å; G97-V99 VanDerWaalsContact C-N 3.29Å; G97-V99 PolarHBondContact O-N 3.27Å; V99-D101 VanDerWaalsContact C-N 3.25Å; V99-D101 PolarHBondContact O-N 3.01Å; V99-I102 WeakPolarHBondContact O-CB 3.21Å; V99-I102 PolarHBondContact O-N 3.14Å; V99-R103 PolarHBondContact O-N 3.02Å; V99-F133 HydrophobicContact CB-CZ 4.3Å; V99-F133 HydrophobicContact CG2-CE1 3.64Å; V99-F133 HydrophobicContact CG2-CE2 4.47Å; V99-F133 HydrophobicContact CG2-CZ 3.47Å; V99-F133 VanDerWaalsContact CG2-CZ 3.47Å; V99-M154 HydrophobicContact CB-CB 4.34Å; V99-M154 HydrophobicContact CB-CE 4.49Å; V99-M154 VanDerWaalsContact CG1-C 3.45Å; V99-M154 HydrophobicContact CG1-CB 3.63Å; V99-M154 HydrophobicContact CG1-CE 4.49Å; V99-M154 WeakPolarHBondContact CG1-O 3.32Å; V99-L155 HydrophobicContact CG1-CB 4.49Å; V99-L155 HydrophobicContact CG2-CB 3.89Å; V99-L155 HydrophobicContact CG2-CD1 4.32Å; V99-A158 HydrophobicContact CG1-CB 4.07Å
100L98.7Very high98.6Very high50 Ų5040.1 Ų40.126%0.26222%0.219SC..Hα-helixtrans-62-32.5176.7-72.5172.1000112.1M69 E96 G97 I102 R103 M104 M154M69-L100 HydrophobicContact CE-CD1 4.38Å; M69-L100 HydrophobicContact CG-CD1 4.11Å; M69-L100 HydrophobicContact SD-CD1 4Å; M69-L100 HydrophobicContact SD-CD2 4.17Å; M69-L100 HydrophobicContact SD-CG 4.47Å; E96-L100 VanDerWaalsContact O-CG 3.31Å; E96-L100 WeakPolarHBondContact O-CG 3.41Å; E96-L100 PolarHBondContact O-N 3.08Å; G97-L100 PolarHBondContact O-N 3.17Å; L100-I102 PolarHBondContact O-N 2.84Å; L100-R103 PolarHBondContact O-N 2.84Å; L100-M104 HydrophobicContact CB-CG 4.32Å; L100-M104 HydrophobicContact CD2-CG 4.13Å; L100-M104 WeakPolarHBondContact O-CA 3.45Å; L100-M104 WeakPolarHBondContact O-CB 3.37Å; L100-M104 WeakPolarHBondContact O-CG 3.4Å; L100-M104 PolarHBondContact O-N 2.98Å; L100-M154 HydrophobicContact CD1-CE 4.39Å; L100-M154 HydrophobicContact CD2-CE 4Å; L100-M154 HydrophobicContact CG-CE 3.84Å
101D98.6Very high98.5Very high87 Ų8742.8 Ų42.847%0.46522%0.216SC..Hα-helixtrans-58.6-34.3173.6-79.8-30.4000112.7G97 V99 G105 R129G97-D101 PolarHBondContact O-N 3.39Å; V99-D101 VanDerWaalsContact C-N 3.25Å; V99-D101 PolarHBondContact O-N 3.01Å; D101-G105 PolarHBondContact O-N 3.24Å; D101-R129 PolarHBondContact O-NH1 3.39Å
102I98.8Very high98.5Very high2 Ų243.3 Ų43.31%0.0122%0.221CC..Hα-helixtrans-75.5-59.3173.1-58.8175.8000109.7V99 L100 M104 G105 V106 F122 L126 R129 L130 F133 A158 V162V99-I102 WeakPolarHBondContact O-CB 3.21Å; V99-I102 PolarHBondContact O-N 3.14Å; L100-I102 PolarHBondContact O-N 2.84Å; I102-M104 PolarHBondContact O-N 3.05Å; I102-G105 WeakPolarHBondContact O-CA 3.43Å; I102-G105 PolarHBondContact O-N 3.08Å; I102-V106 PolarHBondContact O-N 2.9Å; I102-F122 HydrophobicContact CG2-CZ 4.41Å; I102-L126 HydrophobicContact CG2-CD1 4.04Å; I102-R129 HydrophobicContact CD1-CB 4.13Å; I102-R129 HydrophobicContact CG1-CB 3.96Å; I102-L130 HydrophobicContact CD1-CD2 4.11Å; I102-F133 HydrophobicContact CD1-CD2 4.04Å; I102-F133 HydrophobicContact CD1-CE2 3.66Å; I102-A158 HydrophobicContact CB-CB 4.45Å; I102-A158 HydrophobicContact CG2-CB 4.13Å; I102-V162 HydrophobicContact CG2-CG1 3.84Å
103R98.7Very high98.5Very high11 Ų1153 Ų534%0.04226%0.263CS..Hα-helixtrans-65-40.8-170-17760.7-175.988-5.2113.3G12 V99 L100 L107 D157 A158 L203 Q204G12-R103 PolarHBondContact O-NH2 3.27Å; G12-R103 VanDerWaalsContact O-NH2 3.08Å; V99-R103 PolarHBondContact O-N 3.02Å; L100-R103 PolarHBondContact O-N 2.84Å; R103-L107 PolarHBondContact O-N 3.42Å; R103-D157 VanDerWaalsContact CD-OD2 3.3Å; R103-D157 WeakPolarHBondContact CD-OD2 3.48Å; R103-D157 IonicContact NE-OD2 3.15Å; R103-D157 PolarHBondContact NE-OD2 3.42Å; R103-A158 HydrophobicContact CB-CB 4.31Å; R103-L203 PolarHBondContact NH2-O 3.41Å; R103-Q204 VanDerWaalsContact NH1-NE2 3.16Å
104M98.2Very high98.4Very high59 Ų5957 Ų5729%0.29128%0.277SS..Hα-helixtrans-76.1-26.9174.5-60-58.6-68.700111.5L13 L100 I102 L107 R108L13-M104 HydrophobicContact CD2-SD 4.05Å; L100-M104 HydrophobicContact CB-CG 4.32Å; L100-M104 HydrophobicContact CD2-CG 4.13Å; L100-M104 WeakPolarHBondContact O-CA 3.45Å; L100-M104 WeakPolarHBondContact O-CB 3.37Å; L100-M104 WeakPolarHBondContact O-CG 3.4Å; L100-M104 PolarHBondContact O-N 2.98Å; I102-M104 PolarHBondContact O-N 3.05Å; M104-L107 HydrophobicContact CE-CD2 3.62Å; M104-L107 PolarHBondContact O-N 2.95Å; M104-L107 HydrophobicContact SD-CD2 3.87Å; M104-R108 WeakPolarHBondContact O-CB 3.32Å; M104-R108 VanDerWaalsContact O-CG 3.24Å; M104-R108 WeakPolarHBondContact O-CG 3.39Å; M104-R108 PolarHBondContact O-N 3.43Å
105G98.4Very high98.4Very high9 Ų951.6 Ų51.69%0.09325%0.25CC..Hα-helixtrans-58.8-46.8170.600000111.8D101 I102D101-G105 PolarHBondContact O-N 3.24Å; I102-G105 WeakPolarHBondContact O-CA 3.43Å; I102-G105 PolarHBondContact O-N 3.08Å
106V98.6Very high98.3Very high1 Ų157 Ų571%0.00628%0.275CS..Hα-helixtrans-61.3-49.3172.31770000110.9I102 R108 I109 A110 F122 V161 V162 M165 F210I102-V106 PolarHBondContact O-N 2.9Å; V106-R108 VanDerWaalsContact C-N 3.27Å; V106-R108 PolarHBondContact O-N 3.03Å; V106-I109 VanDerWaalsContact O-CG1 3.3Å; V106-I109 WeakPolarHBondContact O-CG1 3.32Å; V106-I109 PolarHBondContact O-N 3.38Å; V106-I109 VanDerWaalsContact O-N 3.14Å; V106-A110 WeakPolarHBondContact O-CB 3.38Å; V106-A110 PolarHBondContact O-N 3.42Å; V106-F122 HydrophobicContact CG2-CE1 3.84Å; V106-F122 HydrophobicContact CG2-CE2 3.98Å; V106-F122 HydrophobicContact CG2-CZ 3.39Å; V106-V161 HydrophobicContact CB-CG1 4.33Å; V106-V161 HydrophobicContact CG1-CG1 3.77Å; V106-V161 HydrophobicContact CG2-CG1 4.24Å; V106-V162 HydrophobicContact CG2-CG1 3.91Å; V106-M165 HydrophobicContact CB-CE 4.3Å; V106-M165 HydrophobicContact CG1-CE 3.65Å; V106-M165 HydrophobicContact CG2-CE 4Å; V106-F210 HydrophobicContact CG1-CD1 3.86Å; V106-F210 HydrophobicContact CG1-CE1 3.68Å
107L98Very high98.3Very high39 Ų3961 Ų6120%0.20430%0.301CS..Hα-helixtrans-58.1-39.2-175.7-171.671000112.5L13 R103 M104 I109 A110 Y111L13-L107 HydrophobicContact CD2-CD2 4.28Å; R103-L107 PolarHBondContact O-N 3.42Å; M104-L107 HydrophobicContact CE-CD2 3.62Å; M104-L107 PolarHBondContact O-N 2.95Å; M104-L107 HydrophobicContact SD-CD2 3.87Å; L107-I109 PolarHBondContact O-N 3.25Å; L107-A110 PolarHBondContact O-N 3.47Å; L107-Y111 HydrophobicContact CD1-CE2 3.76Å
108R98.1Very high98.3Very high195 Ų19561.8 Ų61.874%0.73630%0.297SS*.Hα-helixtrans-61.1-30-179.8-77.5172.4-164.8176.67.8113.5M104 V106M104-R108 WeakPolarHBondContact O-CB 3.32Å; M104-R108 VanDerWaalsContact O-CG 3.24Å; M104-R108 WeakPolarHBondContact O-CG 3.39Å; M104-R108 PolarHBondContact O-N 3.43Å; V106-R108 VanDerWaalsContact C-N 3.27Å; V106-R108 PolarHBondContact O-N 3.03Å
109I98.5Very high98.2Very high21 Ų2162.7 Ų62.711%0.10830%0.295CS..Hα-helixtrans-102.3-20.4-177.366.8166.2000112.8V106 L107 Y111 N112 Y115 L118 F122 M165V106-I109 VanDerWaalsContact O-CG1 3.3Å; V106-I109 WeakPolarHBondContact O-CG1 3.32Å; V106-I109 PolarHBondContact O-N 3.38Å; V106-I109 VanDerWaalsContact O-N 3.14Å; L107-I109 PolarHBondContact O-N 3.25Å; I109-Y111 VanDerWaalsContact C-N 3.29Å; I109-Y111 PolarHBondContact O-N 3.03Å; I109-N112 WeakPolarHBondContact O-CB 3.46Å; I109-N112 PolarHBondContact O-N 3.35Å; I109-N112 VanDerWaalsContact O-N 3.07Å; I109-Y115 HydrophobicContact CD1-CD2 4.19Å; I109-Y115 HydrophobicContact CD1-CE2 4.02Å; I109-Y115 HydrophobicContact CG1-CD2 4.2Å; I109-Y115 HydrophobicContact CG1-CE2 4.3Å; I109-L118 HydrophobicContact CB-CB 3.99Å; I109-L118 HydrophobicContact CB-CD1 4.27Å; I109-L118 HydrophobicContact CG2-CB 3.84Å; I109-L118 HydrophobicContact CG2-CD1 4.14Å; I109-F122 HydrophobicContact CD1-CB 3.83Å; I109-F122 HydrophobicContact CD1-CG 4.2Å; I109-M165 HydrophobicContact CD1-CE 4.3Å
110A98.5Very high98.2Very high0 Ų066.6 Ų66.60%032%0.319CS..Hα-helixtrans-65-24.9-169.100000115.3V106 L107 Q204 A208 T209 F210V106-A110 WeakPolarHBondContact O-CB 3.38Å; V106-A110 PolarHBondContact O-N 3.42Å; L107-A110 PolarHBondContact O-N 3.47Å; A110-Q204 HydrophobicContact CB-CG 3.93Å; A110-A208 CarbonylContact O-C 3.58Å; A110-T209 WeakPolarHBondContact O-CA 3.31Å; A110-T209 WeakPolarHBondContact O-CB 3.46Å; A110-T209 PolarHBondContact O-N 3.36Å; A110-F210 HydrophobicContact CB-CB 4.28Å; A110-F210 HydrophobicContact CB-CD1 4.32Å; A110-F210 PolarHBondContact O-N 3.48Å
111Y98.4Very high98.2Very high117 Ų11768.6 Ų68.646%0.45933%0.33SS..THydrogen-bonded Turntrans-99-1.5177.8-63.5-93.1000113.2L107 I109 Q204 G205 A208L107-Y111 HydrophobicContact CD1-CE2 3.76Å; I109-Y111 VanDerWaalsContact C-N 3.29Å; I109-Y111 PolarHBondContact O-N 3.03Å; Y111-Q204 HydrophobicContact CE2-CB 4.35Å; Y111-G205 WeakPolarHBondContact OH-CA 3.38Å; Y111-G205 PolarHBondContact OH-N 3.1Å; Y111-A208 HydrophobicContact CD1-CB 3.76Å; Y111-A208 HydrophobicContact CD2-CB 4.47Å; Y111-A208 HydrophobicContact CE1-CB 3.62Å; Y111-A208 HydrophobicContact CE2-CB 4.35Å; Y111-A208 HydrophobicContact CG-CB 4.2Å
112N98.1Very high98.2Very high63 Ų6365.1 Ų65.134%0.33731%0.311SS..  trans-77.2140.2-178.5-162.7-47.2000109.8I109 E114 Y115 L118 T209I109-N112 WeakPolarHBondContact O-CB 3.46Å; I109-N112 PolarHBondContact O-N 3.35Å; I109-N112 VanDerWaalsContact O-N 3.07Å; N112-E114 PolarHBondContact O-N 3.42Å; N112-E114 WeakPolarHBondContact OD1-CB 3.39Å; N112-E114 PolarHBondContact OD1-N 3.24Å; N112-Y115 VanDerWaalsContact O-CB 3.3Å; N112-Y115 WeakPolarHBondContact O-CB 3.48Å; N112-Y115 PolarHBondContact O-N 3.2Å; N112-L118 HydrophobicContact CB-CD1 3.72Å; N112-L118 WeakPolarHBondContact ND2-CD1 3.28Å; N112-T209 PolarHBondContact O-OG1 3.07Å
113K96.8Very high98.1Very high205 Ų20566.7 Ų66.789%0.89132%0.319SS*.THydrogen-bonded Turntrans-65.3-25.6173.6-64.6-176.8-179.8-179.10112.1Y115K113-Y115 VanDerWaalsContact C-N 3.29Å
114E97.5Very high98.1Very high129 Ų12971.8 Ų71.860%0.60335%0.347SS*.THydrogen-bonded Turntrans-92.624.4174.9-56.4-177.2153.900112.4N112 E116 T117 L118N112-E114 PolarHBondContact O-N 3.42Å; N112-E114 WeakPolarHBondContact OD1-CB 3.39Å; N112-E114 PolarHBondContact OD1-N 3.24Å; E114-E116 VanDerWaalsContact C-N 3.26Å; E114-E116 PolarHBondContact O-N 2.71Å; E114-T117 PolarHBondContact O-N 3.34Å; E114-L118 PolarHBondContact O-N 2.92Å; E114-L118 VanDerWaalsContact O-N 3.1Å
115Y98.2Very high98.1Very high6 Ų675.4 Ų75.42%0.02436%0.361CS..Hα-helixtrans-48.5-45.1-177.9163.4-102.8000112.8I109 N112 K113 T117 L118 K119 M165 T209 F210I109-Y115 HydrophobicContact CD1-CD2 4.19Å; I109-Y115 HydrophobicContact CD1-CE2 4.02Å; I109-Y115 HydrophobicContact CG1-CD2 4.2Å; I109-Y115 HydrophobicContact CG1-CE2 4.3Å; N112-Y115 VanDerWaalsContact O-CB 3.3Å; N112-Y115 WeakPolarHBondContact O-CB 3.48Å; N112-Y115 PolarHBondContact O-N 3.2Å; K113-Y115 VanDerWaalsContact C-N 3.29Å; Y115-T117 VanDerWaalsContact C-N 3.28Å; Y115-T117 PolarHBondContact O-N 3.26Å; Y115-L118 PolarHBondContact O-N 3.17Å; Y115-K119 HydrophobicContact CE1-CD 4.1Å; Y115-K119 HydrophobicContact CE2-CB 4.15Å; Y115-K119 HydrophobicContact CE2-CG 4.47Å; Y115-K119 WeakPolarHBondContact O-CB 3.3Å; Y115-K119 PolarHBondContact O-N 2.83Å; Y115-M165 HydrophobicContact CE2-CE 3.95Å; Y115-M165 WeakPolarHBondContact OH-CG 3.43Å; Y115-T209 HydrophobicContact CD1-CG2 4.16Å; Y115-T209 HydrophobicContact CG-CG2 4.24Å; Y115-F210 HydrophobicContact CD1-CB 4.09Å; Y115-F210 HydrophobicContact CD2-CB 3.77Å; Y115-F210 HydrophobicContact CE1-CB 3.72Å; Y115-F210 HydrophobicContact CE1-CD2 4.2Å; Y115-F210 HydrophobicContact CE1-CG 4.22Å; Y115-F210 HydrophobicContact CE2-CB 3.36Å; Y115-F210 HydrophobicContact CE2-CD1 4.23Å; Y115-F210 HydrophobicContact CE2-CD2 4.34Å; Y115-F210 AromaticContact CE2-CG 3.72Å; Y115-F210 HydrophobicContact CE2-CG 3.72Å; Y115-F210 HydrophobicContact CG-CB 4.12Å; Y115-F210 AromaticContact CZ-CD2 3.66Å; Y115-F210 AromaticContact CZ-CG 3.5Å; Y115-F210 VanDerWaalsContact CZ-CG 3.5Å; Y115-F210 WeakPolarHBondContact OH-CD2 3.42Å; Y115-F210 VanDerWaalsContact OH-CG 3.27Å; Y115-F210 WeakPolarHBondContact OH-CG 3.2Å
116E97.4Very high98.1Very high125 Ų12575.1 Ų75.158%0.58436%0.357SS*.Hα-helixtrans-61.5-34.4-178.2-66.7-58.7156.200113E114E114-E116 VanDerWaalsContact C-N 3.26Å; E114-E116 PolarHBondContact O-N 2.71Å
117T98Very high98.1Very high100 Ų10077.7 Ų77.761%0.61337%0.374SS*.Hα-helixtrans-72.5-47.3174.5-53.70000110.9E114 Y115 K119 V120E114-T117 PolarHBondContact O-N 3.34Å; Y115-T117 VanDerWaalsContact C-N 3.28Å; Y115-T117 PolarHBondContact O-N 3.26Å; T117-K119 VanDerWaalsContact C-N 3.28Å; T117-K119 PolarHBondContact O-N 2.81Å; T117-V120 PolarHBondContact O-N 2.92Å
118L98.5Very high98.1Very high49 Ų4978 Ų7826%0.25739%0.386SS..Hα-helixtrans-68-28.5-178.3-65173.4000113I109 N112 E114 Y115 V120 D121 F122I109-L118 HydrophobicContact CB-CB 3.99Å; I109-L118 HydrophobicContact CB-CD1 4.27Å; I109-L118 HydrophobicContact CG2-CB 3.84Å; I109-L118 HydrophobicContact CG2-CD1 4.14Å; N112-L118 HydrophobicContact CB-CD1 3.72Å; N112-L118 WeakPolarHBondContact ND2-CD1 3.28Å; E114-L118 PolarHBondContact O-N 2.92Å; E114-L118 VanDerWaalsContact O-N 3.1Å; Y115-L118 PolarHBondContact O-N 3.17Å; L118-V120 VanDerWaalsContact C-N 3.27Å; L118-V120 PolarHBondContact O-N 2.65Å; L118-D121 PolarHBondContact O-N 2.95Å; L118-F122 PolarHBondContact O-N 3.35Å; L118-F122 VanDerWaalsContact O-N 3.13Å
119K98.5Very high98.1Very high48 Ų4871.7 Ų71.721%0.20936%0.362CS..Hα-helixtrans-57.1-40.9174.8179-171.1178.5178.40111.2Y115 T117 D121 F122 L123 M165Y115-K119 HydrophobicContact CE1-CD 4.1Å; Y115-K119 HydrophobicContact CE2-CB 4.15Å; Y115-K119 HydrophobicContact CE2-CG 4.47Å; Y115-K119 WeakPolarHBondContact O-CB 3.3Å; Y115-K119 PolarHBondContact O-N 2.83Å; T117-K119 VanDerWaalsContact C-N 3.28Å; T117-K119 PolarHBondContact O-N 2.81Å; K119-D121 PolarHBondContact O-N 3.04Å; K119-F122 PolarHBondContact O-N 3.48Å; K119-L123 HydrophobicContact CD-CD1 4.34Å; K119-L123 HydrophobicContact CG-CD1 3.87Å; K119-L123 HydrophobicContact CG-CG 4.24Å; K119-L123 WeakPolarHBondContact O-CB 3.33Å; K119-L123 WeakPolarHBondContact O-CG 3.25Å; K119-L123 PolarHBondContact O-N 3.15Å; K119-M165 HydrophobicContact CD-CG 4.21Å; K119-M165 WeakPolarHBondContact CE-O 3.44Å; K119-M165 HydrophobicContact CG-CG 3.98Å; K119-M165 HydrophobicContact CG-SD 4.03Å; K119-M165 PolarHBondContact NZ-O 2.77Å
120V98.3Very high98.1Very high82 Ų8270.7 Ų70.750%0.49736%0.357SS..Hα-helixtrans-59.1-48.9179.8177.70000110.8T117 L118 F122 L123 N124T117-V120 PolarHBondContact O-N 2.92Å; L118-V120 VanDerWaalsContact C-N 3.27Å; L118-V120 PolarHBondContact O-N 2.65Å; V120-F122 VanDerWaalsContact C-N 3.34Å; V120-F122 PolarHBondContact O-N 2.86Å; V120-L123 PolarHBondContact O-N 3.49Å; V120-N124 WeakPolarHBondContact O-CB 3.37Å; V120-N124 PolarHBondContact O-N 2.99Å; V120-N124 PolarHBondContact O-ND2 3.29Å
121D97.7Very high98.1Very high93 Ų9375.3 Ų75.350%0.49738%0.377SS..Hα-helixtrans-65.4-36.8178.8-79-13.2000113L118 K119 K125L118-D121 PolarHBondContact O-N 2.95Å; K119-D121 PolarHBondContact O-N 3.04Å; D121-K125 WeakPolarHBondContact O-CG 3.48Å; D121-K125 PolarHBondContact O-N 3.4Å
122F98.5Very high98.1Very high14 Ų1475.7 Ų75.76%0.06139%0.385CS..Hα-helixtrans-64.5-49.6175.1175.3-92.4000111.1I102 V106 I109 L118 K119 V120 N124 K125 L126 V162 M165I102-F122 HydrophobicContact CG2-CZ 4.41Å; V106-F122 HydrophobicContact CG2-CE1 3.84Å; V106-F122 HydrophobicContact CG2-CE2 3.98Å; V106-F122 HydrophobicContact CG2-CZ 3.39Å; I109-F122 HydrophobicContact CD1-CB 3.83Å; I109-F122 HydrophobicContact CD1-CG 4.2Å; L118-F122 PolarHBondContact O-N 3.35Å; L118-F122 VanDerWaalsContact O-N 3.13Å; K119-F122 PolarHBondContact O-N 3.48Å; V120-F122 VanDerWaalsContact C-N 3.34Å; V120-F122 PolarHBondContact O-N 2.86Å; F122-N124 VanDerWaalsContact C-N 3.31Å; F122-N124 PolarHBondContact O-N 3.43Å; F122-K125 PolarHBondContact O-N 2.91Å; F122-K125 VanDerWaalsContact O-N 3.1Å; F122-L126 HydrophobicContact CE1-CB 4.4Å; F122-L126 HydrophobicContact CE1-CD1 4.21Å; F122-L126 HydrophobicContact CE1-CD2 4.07Å; F122-L126 HydrophobicContact CE1-CG 4.46Å; F122-L126 HydrophobicContact CZ-CD1 4.06Å; F122-L126 PolarHBondContact O-N 2.96Å; F122-V162 HydrophobicContact CE1-CG1 4.07Å; F122-V162 HydrophobicContact CZ-CG1 4.08Å; F122-M165 HydrophobicContact CD1-CE 4.42Å; F122-M165 HydrophobicContact CD1-SD 3.45Å; F122-M165 WeakPolarHBondContact CD1-SD 3.44Å; F122-M165 HydrophobicContact CE1-CE 4.45Å; F122-M165 HydrophobicContact CE1-SD 3.7Å; F122-M165 HydrophobicContact CG-SD 4.44Å
123L98.3Very high98.2Very high35 Ų3572.9 Ų72.918%0.18337%0.37CS..Hα-helixtrans-65.1-33.6-179.8-71179.3000112.2K119 V120 K125 L126 P127 M165 D166K119-L123 HydrophobicContact CD-CD1 4.34Å; K119-L123 HydrophobicContact CG-CD1 3.87Å; K119-L123 HydrophobicContact CG-CG 4.24Å; K119-L123 WeakPolarHBondContact O-CB 3.33Å; K119-L123 WeakPolarHBondContact O-CG 3.25Å; K119-L123 PolarHBondContact O-N 3.15Å; V120-L123 PolarHBondContact O-N 3.49Å; L123-K125 PolarHBondContact O-N 3.18Å; L123-L126 HydrophobicContact CD2-CD2 3.91Å; L123-L126 PolarHBondContact O-N 3.35Å; L123-P127 WeakPolarHBondContact O-CD 3.37Å; L123-M165 HydrophobicContact CD2-CG 4.18Å; L123-M165 HydrophobicContact CD2-SD 4.11Å; L123-M165 HydrophobicContact CG-SD 4.34Å; L123-D166 HydrophobicContact CD1-CB 4Å; L123-D166 HydrophobicContact CD2-CB 3.87Å
124N97.9Very high98.3Very high118 Ų11863.7 Ų63.763%0.63133%0.33SS*.Hα-helixtrans-62.9-29.7173.5-75.1-22.5000113.2V120 F122V120-N124 WeakPolarHBondContact O-CB 3.37Å; V120-N124 PolarHBondContact O-N 2.99Å; V120-N124 PolarHBondContact O-ND2 3.29Å; F122-N124 VanDerWaalsContact C-N 3.31Å; F122-N124 PolarHBondContact O-N 3.43Å
125K97.8Very high98.3Very high135 Ų13561.2 Ų61.259%0.58732%0.321SS*.Hα-helixtrans-93.6-20.9179.7-67171.2-174.1168.10113D121 F122 L123 G128D121-K125 WeakPolarHBondContact O-CG 3.48Å; D121-K125 PolarHBondContact O-N 3.4Å; F122-K125 PolarHBondContact O-N 2.91Å; F122-K125 VanDerWaalsContact O-N 3.1Å; L123-K125 PolarHBondContact O-N 3.18Å; K125-G128 PolarHBondContact O-N 2.85Å
126L98.6Very high98.3Very high2 Ų263.9 Ų63.91%0.0133%0.331CS..Hα-helixtrans-58.2-44.8-174.9-179.164.2000113I102 F122 L123 G128 R129 L130 V162 C169I102-L126 HydrophobicContact CG2-CD1 4.04Å; F122-L126 HydrophobicContact CE1-CB 4.4Å; F122-L126 HydrophobicContact CE1-CD1 4.21Å; F122-L126 HydrophobicContact CE1-CD2 4.07Å; F122-L126 HydrophobicContact CE1-CG 4.46Å; F122-L126 HydrophobicContact CZ-CD1 4.06Å; F122-L126 PolarHBondContact O-N 2.96Å; L123-L126 HydrophobicContact CD2-CD2 3.91Å; L123-L126 PolarHBondContact O-N 3.35Å; L126-G128 VanDerWaalsContact C-N 3.27Å; L126-G128 PolarHBondContact O-N 3.3Å; L126-R129 WeakPolarHBondContact O-CB 3.43Å; L126-R129 PolarHBondContact O-N 3.41Å; L126-L130 HydrophobicContact CD1-CD1 4.19Å; L126-L130 HydrophobicContact CD1-CD2 4.1Å; L126-L130 HydrophobicContact CD1-CG 3.88Å; L126-L130 HydrophobicContact CD2-CD1 4.15Å; L126-L130 HydrophobicContact CG-CD1 3.73Å; L126-L130 HydrophobicContact CG-CG 3.92Å; L126-L130 WeakPolarHBondContact O-CG 3.36Å; L126-L130 PolarHBondContact O-N 3.19Å; L126-V162 HydrophobicContact CD1-CG1 4.27Å; L126-V162 HydrophobicContact CD2-CB 4.02Å; L126-V162 HydrophobicContact CD2-CG1 4.17Å; L126-V162 HydrophobicContact CD2-CG2 4.36Å; L126-C169 HydrophobicContact CD2-CB 4.03Å
127P98.7Very high98.3Very high56 Ų5658.2 Ų58.236%0.36431%0.305SS..Hα-helixtrans-54.7-40.4178.3-29.335000113.5L123 R129 L130 K131 F173L123-P127 WeakPolarHBondContact O-CD 3.37Å; P127-R129 VanDerWaalsContact C-N 3.29Å; P127-R129 PolarHBondContact O-N 2.94Å; P127-L130 PolarHBondContact O-N 3.01Å; P127-K131 VanDerWaalsContact O-CB 3.28Å; P127-K131 WeakPolarHBondContact O-CB 3.32Å; P127-K131 PolarHBondContact O-N 3.16Å; P127-F173 HydrophobicContact CB-CE2 4.47Å; P127-F173 HydrophobicContact CB-CZ 4.04Å
128G98.3Very high98.1Very high44 Ų4455.4 Ų55.445%0.45429%0.289SS..Hα-helixtrans-62.5-35.5177.500000112.9K125 L126 M132K125-G128 PolarHBondContact O-N 2.85Å; L126-G128 VanDerWaalsContact C-N 3.27Å; L126-G128 PolarHBondContact O-N 3.3Å; G128-M132 WeakPolarHBondContact O-CG 3.21Å
129R98.3Very high97.7Very high63 Ų6361.2 Ų61.224%0.23832%0.32CS..Hα-helixtrans-75.2-45.1176.2-62.9172.4176.6-175-13111.6D101 I102 L126 P127 K131 M132 F133D101-R129 PolarHBondContact O-NH1 3.39Å; I102-R129 HydrophobicContact CD1-CB 4.13Å; I102-R129 HydrophobicContact CG1-CB 3.96Å; L126-R129 WeakPolarHBondContact O-CB 3.43Å; L126-R129 PolarHBondContact O-N 3.41Å; P127-R129 VanDerWaalsContact C-N 3.29Å; P127-R129 PolarHBondContact O-N 2.94Å; R129-K131 VanDerWaalsContact C-N 3.29Å; R129-K131 PolarHBondContact O-N 2.73Å; R129-M132 WeakPolarHBondContact O-CB 3.4Å; R129-M132 PolarHBondContact O-N 3.27Å; R129-F133 WeakPolarHBondContact O-CD2 3.26Å
130L98.7Very high97.6Very high1 Ų162.3 Ų62.31%0.00533%0.325CS..Hα-helixtrans-61.6-38.6177.6-65.6178.5000111.5I102 L126 P127 M132 F133 E134 L159 L170 F173 L176I102-L130 HydrophobicContact CD1-CD2 4.11Å; L126-L130 HydrophobicContact CD1-CD1 4.19Å; L126-L130 HydrophobicContact CD1-CD2 4.1Å; L126-L130 HydrophobicContact CD1-CG 3.88Å; L126-L130 HydrophobicContact CD2-CD1 4.15Å; L126-L130 HydrophobicContact CG-CD1 3.73Å; L126-L130 HydrophobicContact CG-CG 3.92Å; L126-L130 WeakPolarHBondContact O-CG 3.36Å; L126-L130 PolarHBondContact O-N 3.19Å; P127-L130 PolarHBondContact O-N 3.01Å; L130-M132 PolarHBondContact O-N 2.96Å; L130-F133 PolarHBondContact O-N 3Å; L130-E134 PolarHBondContact O-N 2.8Å; L130-L159 HydrophobicContact CD2-CD2 3.92Å; L130-L170 HydrophobicContact CD1-CD2 3.72Å; L130-L170 HydrophobicContact CD2-CD2 4.21Å; L130-F173 HydrophobicContact CB-CD1 4.23Å; L130-F173 HydrophobicContact CB-CD2 4.01Å; L130-F173 HydrophobicContact CB-CE1 4.03Å; L130-F173 HydrophobicContact CB-CE2 3.8Å; L130-F173 HydrophobicContact CB-CG 4.23Å; L130-F173 HydrophobicContact CB-CZ 3.81Å; L130-F173 HydrophobicContact CD1-CD2 3.85Å; L130-F173 HydrophobicContact CD1-CE2 3.71Å; L130-F173 HydrophobicContact CD1-CZ 4.49Å; L130-F173 HydrophobicContact CG-CE2 4.43Å; L130-L176 HydrophobicContact CB-CD1 3.78Å; L130-L176 HydrophobicContact CD2-CD1 3.85Å; L130-L176 HydrophobicContact CG-CD1 4.31Å
131K98.6Very high97.4Very high96 Ų9661.6 Ų61.642%0.41732%0.321SS..Hα-helixtrans-56.1-37.8177.1-174.160.6167.472.80112.8P127 R129 F133 E134 D135 F173P127-K131 VanDerWaalsContact O-CB 3.28Å; P127-K131 WeakPolarHBondContact O-CB 3.32Å; P127-K131 PolarHBondContact O-N 3.16Å; R129-K131 VanDerWaalsContact C-N 3.29Å; R129-K131 PolarHBondContact O-N 2.73Å; K131-F133 VanDerWaalsContact C-N 3.31Å; K131-F133 PolarHBondContact O-N 3.06Å; K131-E134 PolarHBondContact O-N 3.36Å; K131-D135 IonicContact NZ-OD1 2.89Å; K131-D135 PolarHBondContact NZ-OD1 3.41Å; K131-D135 IonicContact NZ-OD2 2.66Å; K131-D135 PolarHBondContact NZ-OD2 2.85Å; K131-D135 WeakPolarHBondContact O-CB 3.18Å; K131-D135 PolarHBondContact O-N 2.99Å; K131-F173 HydrophobicContact CB-CE1 4.06Å; K131-F173 HydrophobicContact CD-CE1 4.27Å
132M98.4Very high97.4Very high125 Ų12558.5 Ų58.562%0.61630%0.302SS*.Hα-helixtrans-62.3-39.7178-58.3178.4-160.700111.7G128 R129 L130 R136G128-M132 WeakPolarHBondContact O-CG 3.21Å; R129-M132 WeakPolarHBondContact O-CB 3.4Å; R129-M132 PolarHBondContact O-N 3.27Å; L130-M132 PolarHBondContact O-N 2.96Å; M132-R136 WeakPolarHBondContact O-CB 3.14Å; M132-R136 PolarHBondContact O-N 3.36Å
133F98.7Very high97.4Very high5 Ų557.8 Ų57.82%0.02230%0.299CS..Hα-helixtrans-76.6-40.7177.5-66.9-73.5000112.5A98 V99 I102 R129 L130 K131 D135 R136 L137 L143 L155 L176A98-F133 HydrophobicContact CB-CE1 4.25Å; A98-F133 HydrophobicContact CB-CE2 4.28Å; A98-F133 HydrophobicContact CB-CZ 3.56Å; V99-F133 HydrophobicContact CB-CZ 4.3Å; V99-F133 HydrophobicContact CG2-CE1 3.64Å; V99-F133 HydrophobicContact CG2-CE2 4.47Å; V99-F133 HydrophobicContact CG2-CZ 3.47Å; V99-F133 VanDerWaalsContact CG2-CZ 3.47Å; I102-F133 HydrophobicContact CD1-CD2 4.04Å; I102-F133 HydrophobicContact CD1-CE2 3.66Å; R129-F133 WeakPolarHBondContact O-CD2 3.26Å; L130-F133 PolarHBondContact O-N 3Å; K131-F133 VanDerWaalsContact C-N 3.31Å; K131-F133 PolarHBondContact O-N 3.06Å; F133-D135 PolarHBondContact O-N 3.34Å; F133-R136 PolarHBondContact O-N 3.01Å; F133-R136 VanDerWaalsContact O-N 3.17Å; F133-L137 WeakPolarHBondContact O-CB 3.39Å; F133-L137 VanDerWaalsContact O-CG 3.3Å; F133-L137 WeakPolarHBondContact O-CG 3.25Å; F133-L137 PolarHBondContact O-N 3.37Å; F133-L143 HydrophobicContact CD1-CD1 4.49Å; F133-L143 HydrophobicContact CD1-CD2 3.77Å; F133-L143 HydrophobicContact CE1-CD1 4.42Å; F133-L143 HydrophobicContact CE1-CD2 4.41Å; F133-L155 HydrophobicContact CB-CD2 4.19Å; F133-L155 HydrophobicContact CD1-CD1 4.3Å; F133-L155 HydrophobicContact CD1-CD2 3.8Å; F133-L155 HydrophobicContact CD2-CD1 4.14Å; F133-L155 HydrophobicContact CE1-CD1 4.45Å; F133-L155 HydrophobicContact CE1-CD2 4.38Å; F133-L155 HydrophobicContact CE2-CD1 4.3Å; F133-L155 HydrophobicContact CG-CD1 4.14Å; F133-L155 HydrophobicContact CG-CD2 4.04Å; F133-L155 HydrophobicContact CZ-CD1 4.44Å; F133-L176 HydrophobicContact CB-CD2 3.75Å
134E98.5Very high97.4Very high11 Ų1157.6 Ų57.65%0.05130%0.299CS..Hα-helixtrans-54.7-40.9171.9179.367.9-15500111.1L130 K131 S138 F173 K175 L176L130-E134 PolarHBondContact O-N 2.8Å; K131-E134 PolarHBondContact O-N 3.36Å; E134-S138 PolarHBondContact O-OG 3.18Å; E134-F173 HydrophobicContact CB-CD1 3.8Å; E134-F173 HydrophobicContact CG-CD1 3.95Å; E134-F173 VanDerWaalsContact OE2-CA 3.32Å; E134-F173 WeakPolarHBondContact OE2-CA 3.01Å; E134-F173 WeakPolarHBondContact OE2-CB 3.49Å; E134-K175 VanDerWaalsContact OE1-CB 3.31Å; E134-K175 WeakPolarHBondContact OE1-CB 3.36Å; E134-K175 VanDerWaalsContact OE1-CG 3.22Å; E134-K175 WeakPolarHBondContact OE1-CG 3.46Å; E134-K175 PolarHBondContact OE1-N 3.25Å; E134-K175 IonicContact OE1-NZ 3.18Å; E134-K175 PolarHBondContact OE1-NZ 3.02Å; E134-K175 WeakPolarHBondContact OE2-CA 3.39Å; E134-K175 WeakPolarHBondContact OE2-CB 3.45Å; E134-K175 PolarHBondContact OE2-N 2.83Å; E134-L176 HydrophobicContact CB-CG 4.46Å; E134-L176 PolarHBondContact OE2-N 3.29Å
135D98.2Very high97.2Very high78 Ų7852.7 Ų52.742%0.41728%0.276SS..Hα-helixtrans-71.7-44.8175.3-70.5-20.1000112K131 F133 L137 S138K131-D135 IonicContact NZ-OD1 2.89Å; K131-D135 PolarHBondContact NZ-OD1 3.41Å; K131-D135 IonicContact NZ-OD2 2.66Å; K131-D135 PolarHBondContact NZ-OD2 2.85Å; K131-D135 WeakPolarHBondContact O-CB 3.18Å; K131-D135 PolarHBondContact O-N 2.99Å; F133-D135 PolarHBondContact O-N 3.34Å; D135-L137 PolarHBondContact O-N 2.98Å; D135-S138 WeakPolarHBondContact O-CB 3.49Å; D135-S138 PolarHBondContact O-N 3.22Å; D135-S138 PolarHBondContact O-OG 3.29Å; D135-S138 VanDerWaalsContact O-OG 3.12Å
136R97.8Very high96.9Very high61 Ų6152.5 Ų52.523%0.2328%0.281CS..Hα-helixtrans-57.1-40.1178.5178.363.4-179.9-167.9-1.7111.9E91 L95 M132 F133 S138 K140 L143E91-R136 IonicContact OE2-CZ 3.04Å; E91-R136 IonicContact OE2-NH1 3.17Å; E91-R136 IonicContact OE2-NH2 3.48Å; E91-R136 PolarHBondContact OE2-NH2 3.18Å; E91-R136 VanDerWaalsContact OE2-NH2 3.12Å; L95-R136 HydrophobicContact CD2-CG 4.17Å; M132-R136 WeakPolarHBondContact O-CB 3.14Å; M132-R136 PolarHBondContact O-N 3.36Å; F133-R136 PolarHBondContact O-N 3.01Å; F133-R136 VanDerWaalsContact O-N 3.17Å; R136-S138 PolarHBondContact O-N 2.91Å; R136-K140 WeakPolarHBondContact O-CD 3.42Å; R136-K140 PolarHBondContact O-NZ 3.04Å; R136-L143 HydrophobicContact CG-CD2 4.24Å; R136-L143 PolarHBondContact NE-O 3.42Å; R136-L143 PolarHBondContact NH2-O 3.16Å
137L97.9Very high96.5Very high7 Ų756.8 Ų56.84%0.03731%0.31CS..THydrogen-bonded Turntrans-74.7-4.3178.5-70.3167.8000113.5F133 D135 N139 K140 L143 K175 L176 F179F133-L137 WeakPolarHBondContact O-CB 3.39Å; F133-L137 VanDerWaalsContact O-CG 3.3Å; F133-L137 WeakPolarHBondContact O-CG 3.25Å; F133-L137 PolarHBondContact O-N 3.37Å; D135-L137 PolarHBondContact O-N 2.98Å; L137-N139 PolarHBondContact O-N 3.31Å; L137-N139 VanDerWaalsContact O-N 3.12Å; L137-K140 PolarHBondContact O-N 3.19Å; L137-K140 VanDerWaalsContact O-N 3.12Å; L137-L143 HydrophobicContact CD2-CD2 4.02Å; L137-L143 HydrophobicContact CG-CD2 4.13Å; L137-K175 HydrophobicContact CB-CB 4.23Å; L137-K175 HydrophobicContact CB-CD 4.46Å; L137-L176 HydrophobicContact CD1-CD2 3.73Å; L137-F179 HydrophobicContact CD1-CB 3.73Å; L137-F179 HydrophobicContact CD1-CD2 4.11Å; L137-F179 HydrophobicContact CD1-CG 3.92Å; L137-F179 HydrophobicContact CD2-CD2 3.72Å; L137-F179 HydrophobicContact CD2-CE2 4.33Å; L137-F179 HydrophobicContact CD2-CG 4.37Å
138S94.2Very high96.4Very high40 Ų4055 Ų5528%0.2830%0.299SS..THydrogen-bonded Turntrans-61.2119.9171.1-62.50000109.7E134 D135 R136 K140E134-S138 PolarHBondContact O-OG 3.18Å; D135-S138 WeakPolarHBondContact O-CB 3.49Å; D135-S138 PolarHBondContact O-N 3.22Å; D135-S138 PolarHBondContact O-OG 3.29Å; D135-S138 VanDerWaalsContact O-OG 3.12Å; R136-S138 PolarHBondContact O-N 2.91Å; S138-K140 VanDerWaalsContact C-N 3.27Å; S138-K140 PolarHBondContact O-N 3.31Å
139N89.6Confident96.4Very high171 Ų17153.2 Ų53.291%0.91428%0.279SS*.THydrogen-bonded Turntrans60.228.6-175.9-50.6-40.4000114.5L137L137-N139 PolarHBondContact O-N 3.31Å; L137-N139 VanDerWaalsContact O-N 3.12Å
140K95.8Very high96.4Very high71 Ų7150.2 Ų50.231%0.30927%0.267SS..  trans-133.2148.8171.5-57.2-176.5-170.362.10110.7R136 L137 S138 Y142R136-K140 WeakPolarHBondContact O-CD 3.42Å; R136-K140 PolarHBondContact O-NZ 3.04Å; L137-K140 PolarHBondContact O-N 3.19Å; L137-K140 VanDerWaalsContact O-N 3.12Å; S138-K140 VanDerWaalsContact C-N 3.27Å; S138-K140 PolarHBondContact O-N 3.31Å; K140-Y142 VanDerWaalsContact CB-O 3.24Å; K140-Y142 WeakPolarHBondContact CB-O 3.39Å
141T95.1Very high96.4Very high68 Ų6850.2 Ų50.242%0.41727%0.267SS..SBendtrans-79.9-45.1172.1-54.90000110.8G145T141-G145 PolarHBondContact N-O 2.78Å
142Y98.3Very high96.4Very high27 Ų2745.6 Ų45.611%0.10625%0.247CC..BIsolated β-bridgetrans-120.8171.2179.2-56.4-66000110.5K140 N144 G145 V148 D152 F179 I183K140-Y142 VanDerWaalsContact CB-O 3.24Å; K140-Y142 WeakPolarHBondContact CB-O 3.39Å; Y142-N144 PolarHBondContact O-N 2.66Å; Y142-G145 PolarHBondContact N-O 3.4Å; Y142-G145 PolarHBondContact O-N 2.89Å; Y142-G145 VanDerWaalsContact O-N 3.08Å; Y142-V148 HydrophobicContact CD1-CG2 3.91Å; Y142-V148 HydrophobicContact CD2-CG2 3.91Å; Y142-V148 HydrophobicContact CE1-CG2 3.58Å; Y142-V148 HydrophobicContact CE2-CG2 3.58Å; Y142-V148 HydrophobicContact CG-CG2 4.06Å; Y142-V148 VanDerWaalsContact CZ-CG2 3.4Å; Y142-D152 WeakPolarHBondContact CB-OD1 3.43Å; Y142-F179 HydrophobicContact CD1-CE2 4.46Å; Y142-I183 HydrophobicContact CD1-CD1 4.04Å; Y142-I183 HydrophobicContact CE1-CD1 3.91Å
143L98.4Very high96.5Very high0 Ų039.7 Ų39.70%022%0.218CC..THydrogen-bonded Turntrans-61.2-29.3-176.5-67.5176.6000113.3L95 F133 R136 L137 P151 D152 L155 F179L95-L143 HydrophobicContact CD1-CB 3.82Å; L95-L143 HydrophobicContact CD2-CB 4.22Å; F133-L143 HydrophobicContact CD1-CD1 4.49Å; F133-L143 HydrophobicContact CD1-CD2 3.77Å; F133-L143 HydrophobicContact CE1-CD1 4.42Å; F133-L143 HydrophobicContact CE1-CD2 4.41Å; R136-L143 HydrophobicContact CG-CD2 4.24Å; R136-L143 PolarHBondContact NE-O 3.42Å; R136-L143 PolarHBondContact NH2-O 3.16Å; L137-L143 HydrophobicContact CD2-CD2 4.02Å; L137-L143 HydrophobicContact CG-CD2 4.13Å; L143-P151 HydrophobicContact CD1-CB 4.05Å; L143-D152 WeakPolarHBondContact CB-OD1 3.47Å; L143-D152 VanDerWaalsContact CG-OD1 3.29Å; L143-D152 WeakPolarHBondContact CG-OD1 3.5Å; L143-D152 PolarHBondContact N-OD1 3.4Å; L143-L155 HydrophobicContact CD1-CB 4.03Å; L143-L155 HydrophobicContact CD1-CD2 3.85Å; L143-L155 HydrophobicContact CD2-CD2 3.78Å; L143-L155 HydrophobicContact CG-CD2 4.14Å; L143-F179 HydrophobicContact CG-CE2 4.41Å
144N97.1Very high96.5Very high31 Ų3139.8 Ų39.817%0.16622%0.219CC..THydrogen-bonded Turntrans-108.231.2175.2-156.941000113.8E88 Y142 T149E88-N144 PolarHBondContact OE1-ND2 3.32Å; E88-N144 VanDerWaalsContact OE1-ND2 3.11Å; Y142-N144 PolarHBondContact O-N 2.66Å; N144-T149 HydrophobicContact CB-CG2 3.78Å
145G93.4Very high96.5Very high15 Ų1539.3 Ų39.316%0.15522%0.216CC..BIsolated β-bridgetrans102.8-118.3173.100000112.5T141 Y142T141-G145 PolarHBondContact N-O 2.78Å; Y142-G145 PolarHBondContact N-O 3.4Å; Y142-G145 PolarHBondContact O-N 2.89Å; Y142-G145 VanDerWaalsContact O-N 3.08Å
146N91.4Very high96.5Very high131 Ų13135.9 Ų35.970%0.70120%0.198SC*.SBendtrans-101.5-8.1-175.1-64.4-18.3000113.4
147C90.5Very high96.6Very high91 Ų9133.1 Ų33.162%0.61519%0.188SC*.SBendtrans-109.1139.4178.4-61.10000110
148V97.2Very high96.6Very high20 Ų2032.9 Ų32.912%0.12119%0.187CC..  trans-66.5142.6172.7177.50000109.5M81 Y142 D152 F153 L186M81-V148 HydrophobicContact CE-CG1 4.38Å; M81-V148 WeakPolarHBondContact CE-O 3.46Å; Y142-V148 HydrophobicContact CD1-CG2 3.91Å; Y142-V148 HydrophobicContact CD2-CG2 3.91Å; Y142-V148 HydrophobicContact CE1-CG2 3.58Å; Y142-V148 HydrophobicContact CE2-CG2 3.58Å; Y142-V148 HydrophobicContact CG-CG2 4.06Å; Y142-V148 VanDerWaalsContact CZ-CG2 3.4Å; V148-D152 HydrophobicContact CG1-CB 4.4Å; V148-F153 HydrophobicContact CG1-CD2 4.43Å; V148-F153 HydrophobicContact CG1-CE1 4.41Å; V148-F153 HydrophobicContact CG1-CE2 3.51Å; V148-F153 HydrophobicContact CG1-CZ 3.5Å; V148-F153 VanDerWaalsContact CG1-CZ 3.5Å; V148-L186 HydrophobicContact CG2-CD1 4.38Å
149T98.3Very high96.8Very high6 Ų631 Ų314%0.03717%0.174CC..  trans-132.8161.8172.154.80000109.1I92 N144 P151 D152I92-T149 HydrophobicContact CD1-CG2 4.14Å; N144-T149 HydrophobicContact CB-CG2 3.78Å; T149-P151 VanDerWaalsContact C-N 3.31Å; T149-P151 WeakPolarHBondContact OG1-CD 3.46Å; T149-D152 PolarHBondContact N-OD2 2.86Å; T149-D152 VanDerWaalsContact O-CB 3.28Å; T149-D152 WeakPolarHBondContact O-CB 3.37Å; T149-D152 PolarHBondContact O-N 3.04Å; T149-D152 VanDerWaalsContact O-OD2 3.08Å; T149-D152 PolarHBondContact OG1-OD2 3.03Å
150H98.8Very high97.3Very high0 Ų023.8 Ų23.80%014%0.135CC..Hα-helixtrans-62.4-26-178.865.8-78.5000115.2L20 I72 A76 E96 D152 F153 M154L20-H150 HydrophobicContact CD1-CB 4.4Å; L20-H150 HydrophobicContact CD2-CB 3.87Å; I72-H150 HydrophobicContact CD1-CB 3.9Å; I72-H150 HydrophobicContact CG1-CB 3.9Å; A76-H150 HydrophobicContact CB-CB 4.3Å; A76-H150 WeakPolarHBondContact CB-ND1 3.38Å; E96-H150 VanDerWaalsContact CD-NE2 3.28Å; E96-H150 WeakPolarHBondContact CG-NE2 3.14Å; E96-H150 IonicContact OE1-CD2 2.84Å; E96-H150 IonicContact OE1-CE1 3.12Å; E96-H150 PolarHBondContact OE1-CE1 2.77Å; E96-H150 IonicContact OE1-NE2 3.54Å; E96-H150 PolarHBondContact OE1-NE2 2.9Å; H150-D152 PolarHBondContact O-N 2.62Å; H150-F153 PolarHBondContact O-N 3.32Å; H150-M154 WeakPolarHBondContact O-CG 3.45Å; H150-M154 PolarHBondContact O-N 3.11Å
151P98.8Very high97.4Very high0 Ų020.4 Ų20.40%012%0.12CC..Hα-helixtrans-61.3-23.4170.2-25.537.5000113.9I92 L95 E96 L143 T149 M154 L155I92-P151 HydrophobicContact CG2-CG 3.99Å; L95-P151 HydrophobicContact CB-CB 3.87Å; L95-P151 HydrophobicContact CB-CG 4.1Å; E96-P151 HydrophobicContact CG-CG 3.9Å; L143-P151 HydrophobicContact CD1-CB 4.05Å; T149-P151 VanDerWaalsContact C-N 3.31Å; T149-P151 WeakPolarHBondContact OG1-CD 3.46Å; P151-M154 PolarHBondContact O-N 2.68Å; P151-L155 WeakPolarHBondContact O-CB 3.29Å; P151-L155 PolarHBondContact O-N 3.08Å
152D98.9Very high97.6Very high0 Ų017.1 Ų17.10%010%0.1CC..Hα-helixtrans-65.4-43.8176.8-63.8-66.9000111.1Y142 L143 V148 T149 H150 M154 L155 Y156 F179 I183Y142-D152 WeakPolarHBondContact CB-OD1 3.43Å; L143-D152 WeakPolarHBondContact CB-OD1 3.47Å; L143-D152 VanDerWaalsContact CG-OD1 3.29Å; L143-D152 WeakPolarHBondContact CG-OD1 3.5Å; L143-D152 PolarHBondContact N-OD1 3.4Å; V148-D152 HydrophobicContact CG1-CB 4.4Å; T149-D152 PolarHBondContact N-OD2 2.86Å; T149-D152 VanDerWaalsContact O-CB 3.28Å; T149-D152 WeakPolarHBondContact O-CB 3.37Å; T149-D152 PolarHBondContact O-N 3.04Å; T149-D152 VanDerWaalsContact O-OD2 3.08Å; T149-D152 PolarHBondContact OG1-OD2 3.03Å; H150-D152 PolarHBondContact O-N 2.62Å; D152-M154 VanDerWaalsContact C-N 3.35Å; D152-L155 PolarHBondContact O-N 3.13Å; D152-Y156 WeakPolarHBondContact O-CB 3.46Å; D152-Y156 PolarHBondContact O-N 2.94Å; D152-F179 HydrophobicContact CB-CE2 4.19Å; D152-F179 HydrophobicContact CB-CZ 3.92Å; D152-F179 WeakPolarHBondContact O-CZ 3.47Å; D152-F179 WeakPolarHBondContact OD1-CE2 3.32Å; D152-I183 HydrophobicContact CB-CD1 4.04Å
153F98.9Very high97.6Very high0 Ų018 Ų180%011%0.106CC..Hα-helixtrans-69.8-32.3174.5-58.7-58.2000112.7P16 L19 L20 H23 V148 H150 D157 I183 L186 I189P16-F153 HydrophobicContact CB-CB 4.47Å; L19-F153 HydrophobicContact CB-CB 3.99Å; L19-F153 HydrophobicContact CB-CD1 3.77Å; L19-F153 HydrophobicContact CB-CG 3.95Å; L19-F153 HydrophobicContact CD1-CB 4.38Å; L20-F153 HydrophobicContact CB-CD2 3.9Å; L20-F153 HydrophobicContact CB-CE2 4.29Å; L20-F153 HydrophobicContact CD1-CD2 3.89Å; L20-F153 HydrophobicContact CD1-CE2 3.67Å; H23-F153 HydrophobicContact CB-CE1 4.14Å; H23-F153 HydrophobicContact CB-CE2 4Å; H23-F153 HydrophobicContact CB-CZ 3.42Å; H23-F153 VanDerWaalsContact CB-CZ 3.42Å; H23-F153 AromaticContact CD2-CE2 3.92Å; H23-F153 AromaticContact CD2-CZ 3.6Å; H23-F153 AromaticContact CG-CZ 3.42Å; H23-F153 VanDerWaalsContact CG-CZ 3.42Å; V148-F153 HydrophobicContact CG1-CD2 4.43Å; V148-F153 HydrophobicContact CG1-CE1 4.41Å; V148-F153 HydrophobicContact CG1-CE2 3.51Å; V148-F153 HydrophobicContact CG1-CZ 3.5Å; V148-F153 VanDerWaalsContact CG1-CZ 3.5Å; H150-F153 PolarHBondContact O-N 3.32Å; F153-D157 PolarHBondContact O-N 2.84Å; F153-D157 VanDerWaalsContact O-N 3.08Å; F153-I183 HydrophobicContact CD1-CG2 4.16Å; F153-I183 HydrophobicContact CE1-CG2 4.23Å; F153-L186 HydrophobicContact CE1-CD1 4.29Å; F153-I189 HydrophobicContact CD1-CD1 4.43Å; F153-I189 HydrophobicContact CE1-CD1 3.83Å; F153-I189 HydrophobicContact CE1-CG1 4.04Å
154M98.9Very high97.6Very high8 Ų822 Ų224%0.03912%0.122CC..Hα-helixtrans-65.1-45.2172.7-62.6171.461.800111P16 M69 I72 E96 V99 L100 H150 P151 D152 D157 A158P16-M154 HydrophobicContact CB-CB 4.36Å; P16-M154 HydrophobicContact CB-CG 3.76Å; P16-M154 HydrophobicContact CG-CB 4.43Å; P16-M154 HydrophobicContact CG-CG 4.19Å; M69-M154 HydrophobicContact CE-CE 3.64Å; M69-M154 HydrophobicContact CE-SD 3.86Å; M69-M154 HydrophobicContact SD-CE 3.65Å; M69-M154 HydrophobicContact SD-SD 4.27Å; I72-M154 HydrophobicContact CD1-CG 4.1Å; E96-M154 HydrophobicContact CB-CE 4.21Å; E96-M154 HydrophobicContact CB-SD 4.46Å; E96-M154 HydrophobicContact CG-SD 4.13Å; V99-M154 HydrophobicContact CB-CB 4.34Å; V99-M154 HydrophobicContact CB-CE 4.49Å; V99-M154 VanDerWaalsContact CG1-C 3.45Å; V99-M154 HydrophobicContact CG1-CB 3.63Å; V99-M154 HydrophobicContact CG1-CE 4.49Å; V99-M154 WeakPolarHBondContact CG1-O 3.32Å; L100-M154 HydrophobicContact CD1-CE 4.39Å; L100-M154 HydrophobicContact CD2-CE 4Å; L100-M154 HydrophobicContact CG-CE 3.84Å; H150-M154 WeakPolarHBondContact O-CG 3.45Å; H150-M154 PolarHBondContact O-N 3.11Å; P151-M154 PolarHBondContact O-N 2.68Å; D152-M154 VanDerWaalsContact C-N 3.35Å; M154-D157 PolarHBondContact O-N 2.95Å; M154-A158 WeakPolarHBondContact O-CB 3.19Å; M154-A158 PolarHBondContact O-N 3.05Å
155L98.9Very high97.6Very high0 Ų020.8 Ų20.80%012%0.115CC..Hα-helixtrans-66.7-41.2178.7179.560.1000110.3V99 F133 L143 P151 D152 D157 A158 L159 L176 F179V99-L155 HydrophobicContact CG1-CB 4.49Å; V99-L155 HydrophobicContact CG2-CB 3.89Å; V99-L155 HydrophobicContact CG2-CD1 4.32Å; F133-L155 HydrophobicContact CB-CD2 4.19Å; F133-L155 HydrophobicContact CD1-CD1 4.3Å; F133-L155 HydrophobicContact CD1-CD2 3.8Å; F133-L155 HydrophobicContact CD2-CD1 4.14Å; F133-L155 HydrophobicContact CE1-CD1 4.45Å; F133-L155 HydrophobicContact CE1-CD2 4.38Å; F133-L155 HydrophobicContact CE2-CD1 4.3Å; F133-L155 HydrophobicContact CG-CD1 4.14Å; F133-L155 HydrophobicContact CG-CD2 4.04Å; F133-L155 HydrophobicContact CZ-CD1 4.44Å; L143-L155 HydrophobicContact CD1-CB 4.03Å; L143-L155 HydrophobicContact CD1-CD2 3.85Å; L143-L155 HydrophobicContact CD2-CD2 3.78Å; L143-L155 HydrophobicContact CG-CD2 4.14Å; P151-L155 WeakPolarHBondContact O-CB 3.29Å; P151-L155 PolarHBondContact O-N 3.08Å; D152-L155 PolarHBondContact O-N 3.13Å; L155-D157 PolarHBondContact O-N 3.41Å; L155-A158 PolarHBondContact O-N 3.43Å; L155-L159 HydrophobicContact CD1-CD1 4.38Å; L155-L159 HydrophobicContact CD1-CD2 4.3Å; L155-L159 HydrophobicContact CD1-CG 4.02Å; L155-L159 HydrophobicContact CG-CD1 4.06Å; L155-L159 HydrophobicContact CG-CG 4.17Å; L155-L159 WeakPolarHBondContact O-CB 3.24Å; L155-L159 VanDerWaalsContact O-CG 3.26Å; L155-L159 WeakPolarHBondContact O-CG 3.21Å; L155-L159 PolarHBondContact O-N 3.36Å; L155-L176 HydrophobicContact CD2-CD2 4.1Å; L155-F179 HydrophobicContact CB-CE1 4.01Å; L155-F179 HydrophobicContact CB-CZ 4.27Å; L155-F179 HydrophobicContact CD2-CD1 4.09Å; L155-F179 HydrophobicContact CD2-CE1 3.71Å; L155-F179 HydrophobicContact CD2-CZ 4.06Å; L155-F179 HydrophobicContact CG-CD1 4.4Å; L155-F179 HydrophobicContact CG-CE1 3.8Å; L155-F179 HydrophobicContact CG-CZ 4.4Å
156Y98.9Very high97.8Very high7 Ų722.5 Ų22.53%0.02712%0.121CC..Hα-helixtrans-53.8-50.3173.6173.9-95.6000112.2L19 D152 A158 L159 D160 K180 I183 E184L19-Y156 HydrophobicContact CD1-CD1 3.47Å; L19-Y156 VanDerWaalsContact CD1-CD1 3.47Å; L19-Y156 HydrophobicContact CD1-CE1 3.91Å; L19-Y156 HydrophobicContact CD2-CE1 4.38Å; D152-Y156 WeakPolarHBondContact O-CB 3.46Å; D152-Y156 PolarHBondContact O-N 2.94Å; Y156-A158 PolarHBondContact O-N 3.4Å; Y156-L159 PolarHBondContact O-N 3.08Å; Y156-D160 WeakPolarHBondContact O-CB 3.45Å; Y156-D160 PolarHBondContact O-N 2.97Å; Y156-K180 HydrophobicContact CD2-CG 3.84Å; Y156-K180 HydrophobicContact CE2-CG 3.7Å; Y156-I183 HydrophobicContact CD1-CG2 4.38Å; Y156-I183 HydrophobicContact CD2-CB 3.84Å; Y156-I183 HydrophobicContact CD2-CG2 3.69Å; Y156-I183 HydrophobicContact CE2-CG2 4.32Å; Y156-I183 HydrophobicContact CG-CB 4.3Å; Y156-I183 HydrophobicContact CG-CG2 3.73Å; Y156-E184 HydrophobicContact CE2-CG 3.49Å; Y156-E184 VanDerWaalsContact CE2-CG 3.49Å; Y156-E184 WeakPolarHBondContact CE2-OE1 3.33Å; Y156-E184 WeakPolarHBondContact OH-CG 3.46Å; Y156-E184 PolarHBondContact OH-OE1 3.13Å
157D98.9Very high98.1Very high3 Ų320.6 Ų20.62%0.01612%0.118CC..Hα-helixtrans-60-45.3175.8178.375.1000111.6Q15 P16 R103 F153 M154 L155 L159 D160 V161Q15-D157 WeakPolarHBondContact CB-OD1 3.49Å; P16-D157 HydrophobicContact CG-CB 3.81Å; R103-D157 VanDerWaalsContact CD-OD2 3.3Å; R103-D157 WeakPolarHBondContact CD-OD2 3.48Å; R103-D157 IonicContact NE-OD2 3.15Å; R103-D157 PolarHBondContact NE-OD2 3.42Å; F153-D157 PolarHBondContact O-N 2.84Å; F153-D157 VanDerWaalsContact O-N 3.08Å; M154-D157 PolarHBondContact O-N 2.95Å; L155-D157 PolarHBondContact O-N 3.41Å; D157-L159 VanDerWaalsContact C-N 3.35Å; D157-L159 PolarHBondContact O-N 3.02Å; D157-D160 PolarHBondContact O-N 3.48Å; D157-V161 VanDerWaalsContact O-CG2 3.3Å; D157-V161 WeakPolarHBondContact O-CG2 3.3Å; D157-V161 PolarHBondContact O-N 3.21Å
158A98.9Very high98.4Very high2 Ų222.4 Ų22.42%0.01712%0.117CC..Hα-helixtrans-60.3-43.3179.100000112.1V99 I102 R103 M154 L155 Y156 V161 V162V99-A158 HydrophobicContact CG1-CB 4.07Å; I102-A158 HydrophobicContact CB-CB 4.45Å; I102-A158 HydrophobicContact CG2-CB 4.13Å; R103-A158 HydrophobicContact CB-CB 4.31Å; M154-A158 WeakPolarHBondContact O-CB 3.19Å; M154-A158 PolarHBondContact O-N 3.05Å; L155-A158 PolarHBondContact O-N 3.43Å; Y156-A158 PolarHBondContact O-N 3.4Å; A158-V161 PolarHBondContact O-N 3.08Å; A158-V162 WeakPolarHBondContact O-CG2 3.47Å; A158-V162 PolarHBondContact O-N 3.18Å
159L98.9Very high98.5Very high1 Ų122.2 Ų22.21%0.00512%0.117CC..Hα-helixtrans-64-45.6176.5-67.8175.5000111.6L130 L155 Y156 D157 V161 V162 L163 L170 L176 F179 K180L130-L159 HydrophobicContact CD2-CD2 3.92Å; L155-L159 HydrophobicContact CD1-CD1 4.38Å; L155-L159 HydrophobicContact CD1-CD2 4.3Å; L155-L159 HydrophobicContact CD1-CG 4.02Å; L155-L159 HydrophobicContact CG-CD1 4.06Å; L155-L159 HydrophobicContact CG-CG 4.17Å; L155-L159 WeakPolarHBondContact O-CB 3.24Å; L155-L159 VanDerWaalsContact O-CG 3.26Å; L155-L159 WeakPolarHBondContact O-CG 3.21Å; L155-L159 PolarHBondContact O-N 3.36Å; Y156-L159 PolarHBondContact O-N 3.08Å; D157-L159 VanDerWaalsContact C-N 3.35Å; D157-L159 PolarHBondContact O-N 3.02Å; L159-V161 VanDerWaalsContact C-N 3.29Å; L159-V161 PolarHBondContact O-N 3.13Å; L159-V162 WeakPolarHBondContact O-CG2 3.34Å; L159-V162 PolarHBondContact O-N 3.06Å; L159-L163 WeakPolarHBondContact O-CB 3.31Å; L159-L163 VanDerWaalsContact O-CG 3.31Å; L159-L163 WeakPolarHBondContact O-CG 3.41Å; L159-L163 PolarHBondContact O-N 3.42Å; L159-L170 HydrophobicContact CD2-CD1 4.12Å; L159-L170 HydrophobicContact CD2-CD2 3.84Å; L159-L176 HydrophobicContact CD1-CD2 4.21Å; L159-L176 HydrophobicContact CD2-CD1 4.25Å; L159-L176 HydrophobicContact CD2-CD2 4.34Å; L159-F179 HydrophobicContact CD1-CD1 3.87Å; L159-F179 HydrophobicContact CD1-CE1 4.28Å; L159-K180 HydrophobicContact CB-CD 4.46Å; L159-K180 HydrophobicContact CD1-CB 4.31Å
160D98.6Very high98.5Very high18 Ų1822.3 Ų22.310%0.09612%0.117CC..Hα-helixtrans-58.1-44.2176.9-167.960000111.1K11 Y156 D157 Y164 K180K11-D160 IonicContact NZ-OD2 3.44Å; K11-D160 PolarHBondContact NZ-OD2 3.1Å; Y156-D160 WeakPolarHBondContact O-CB 3.45Å; Y156-D160 PolarHBondContact O-N 2.97Å; D157-D160 PolarHBondContact O-N 3.48Å; D160-Y164 WeakPolarHBondContact O-CD2 3.42Å; D160-Y164 PolarHBondContact O-N 2.99Å; D160-K180 IonicContact OD1-NZ 2.62Å; D160-K180 PolarHBondContact OD1-NZ 2.88Å
161V98.6Very high98.5Very high0 Ų028.1 Ų28.10%015%0.148CC..Hα-helixtrans-66.2-46178.7171.50000112.6V106 D157 A158 L159 L163 Y164 M165 L203 F210V106-V161 HydrophobicContact CB-CG1 4.33Å; V106-V161 HydrophobicContact CG1-CG1 3.77Å; V106-V161 HydrophobicContact CG2-CG1 4.24Å; D157-V161 VanDerWaalsContact O-CG2 3.3Å; D157-V161 WeakPolarHBondContact O-CG2 3.3Å; D157-V161 PolarHBondContact O-N 3.21Å; A158-V161 PolarHBondContact O-N 3.08Å; L159-V161 VanDerWaalsContact C-N 3.29Å; L159-V161 PolarHBondContact O-N 3.13Å; V161-L163 VanDerWaalsContact C-N 3.29Å; V161-L163 PolarHBondContact O-N 3.04Å; V161-Y164 PolarHBondContact O-N 3.36Å; V161-M165 PolarHBondContact O-N 3.41Å; V161-L203 HydrophobicContact CG1-CD1 4.36Å; V161-L203 HydrophobicContact CG2-CB 4.38Å; V161-L203 HydrophobicContact CG2-CD1 4.49Å; V161-F210 HydrophobicContact CG1-CE1 4.14Å
162V98.6Very high98.5Very high0 Ų035.8 Ų35.80%018%0.184CC..Hα-helixtrans-70.4-26.3-178.8-62.40000112.6I102 V106 F122 L126 A158 L159 Y164 M165 D166I102-V162 HydrophobicContact CG2-CG1 3.84Å; V106-V162 HydrophobicContact CG2-CG1 3.91Å; F122-V162 HydrophobicContact CE1-CG1 4.07Å; F122-V162 HydrophobicContact CZ-CG1 4.08Å; L126-V162 HydrophobicContact CD1-CG1 4.27Å; L126-V162 HydrophobicContact CD2-CB 4.02Å; L126-V162 HydrophobicContact CD2-CG1 4.17Å; L126-V162 HydrophobicContact CD2-CG2 4.36Å; A158-V162 WeakPolarHBondContact O-CG2 3.47Å; A158-V162 PolarHBondContact O-N 3.18Å; L159-V162 WeakPolarHBondContact O-CG2 3.34Å; L159-V162 PolarHBondContact O-N 3.06Å; V162-Y164 VanDerWaalsContact C-N 3.29Å; V162-Y164 PolarHBondContact O-N 2.95Å; V162-M165 WeakPolarHBondContact O-CA 3.35Å; V162-M165 WeakPolarHBondContact O-CB 3.3Å; V162-M165 PolarHBondContact O-N 2.89Å; V162-D166 PolarHBondContact O-N 3.32Å
163L98.3Very high98.4Very high45 Ų4536.2 Ų36.224%0.23619%0.186CC..Hα-helixtrans-65.8-29.7172.6-78.6168.2000113L159 V161 M165 D166 S167 L170 K180L159-L163 WeakPolarHBondContact O-CB 3.31Å; L159-L163 VanDerWaalsContact O-CG 3.31Å; L159-L163 WeakPolarHBondContact O-CG 3.41Å; L159-L163 PolarHBondContact O-N 3.42Å; V161-L163 VanDerWaalsContact C-N 3.29Å; V161-L163 PolarHBondContact O-N 3.04Å; L163-M165 VanDerWaalsContact C-N 3.3Å; L163-D166 CarbonylContact O-C 3.55Å; L163-S167 VanDerWaalsContact O-CA 3.31Å; L163-S167 WeakPolarHBondContact O-CA 3.46Å; L163-S167 PolarHBondContact O-N 2.76Å; L163-L170 HydrophobicContact CD1-CD1 3.83Å; L163-L170 HydrophobicContact CD2-CB 4.4Å; L163-L170 HydrophobicContact CD2-CD1 3.91Å; L163-L170 HydrophobicContact CD2-CG 3.84Å; L163-L170 HydrophobicContact CG-CD1 3.93Å; L163-L170 HydrophobicContact CG-CG 4.23Å; L163-K180 HydrophobicContact CD1-CD 3.8Å
164Y97.8Very high98.4Very high83 Ų8340 Ų4033%0.32521%0.211SC..Hα-helixtrans-71.4-26.4169.2-85.6-83000112.7D160 V161 V162 W201 L203 P216D160-Y164 WeakPolarHBondContact O-CD2 3.42Å; D160-Y164 PolarHBondContact O-N 2.99Å; V161-Y164 PolarHBondContact O-N 3.36Å; V162-Y164 VanDerWaalsContact C-N 3.29Å; V162-Y164 PolarHBondContact O-N 2.95Å; Y164-W201 HydrophobicContact CD1-CH2 4.47Å; Y164-W201 AromaticContact CD1-CZ3 3.73Å; Y164-W201 HydrophobicContact CD1-CZ3 3.73Å; Y164-W201 HydrophobicContact CE1-CE3 4.23Å; Y164-W201 AromaticContact CE1-CZ3 3.73Å; Y164-W201 HydrophobicContact CE1-CZ3 3.73Å; Y164-W201 HydrophobicContact CG-CZ3 4.22Å; Y164-L203 HydrophobicContact CD2-CD1 3.85Å; Y164-L203 HydrophobicContact CD2-CD2 4.05Å; Y164-L203 HydrophobicContact CE2-CD2 4.15Å; Y164-L203 HydrophobicContact CG-CD1 3.81Å; Y164-P216 HydrophobicContact CE1-CB 4.33Å
165M97.6Very high98.4Very high7 Ų743.4 Ų43.43%0.03423%0.225CC..Hα-helixtrans-78.5-44.3178.1-176.3172.1-62.700111.5V106 I109 Y115 K119 F122 L123 V161 V162 L163 F210V106-M165 HydrophobicContact CB-CE 4.3Å; V106-M165 HydrophobicContact CG1-CE 3.65Å; V106-M165 HydrophobicContact CG2-CE 4Å; I109-M165 HydrophobicContact CD1-CE 4.3Å; Y115-M165 HydrophobicContact CE2-CE 3.95Å; Y115-M165 WeakPolarHBondContact OH-CG 3.43Å; K119-M165 HydrophobicContact CD-CG 4.21Å; K119-M165 WeakPolarHBondContact CE-O 3.44Å; K119-M165 HydrophobicContact CG-CG 3.98Å; K119-M165 HydrophobicContact CG-SD 4.03Å; K119-M165 PolarHBondContact NZ-O 2.77Å; F122-M165 HydrophobicContact CD1-CE 4.42Å; F122-M165 HydrophobicContact CD1-SD 3.45Å; F122-M165 WeakPolarHBondContact CD1-SD 3.44Å; F122-M165 HydrophobicContact CE1-CE 4.45Å; F122-M165 HydrophobicContact CE1-SD 3.7Å; F122-M165 HydrophobicContact CG-SD 4.44Å; L123-M165 HydrophobicContact CD2-CG 4.18Å; L123-M165 HydrophobicContact CD2-SD 4.11Å; L123-M165 HydrophobicContact CG-SD 4.34Å; V161-M165 PolarHBondContact O-N 3.41Å; V162-M165 WeakPolarHBondContact O-CA 3.35Å; V162-M165 WeakPolarHBondContact O-CB 3.3Å; V162-M165 PolarHBondContact O-N 2.89Å; L163-M165 VanDerWaalsContact C-N 3.3Å; M165-F210 HydrophobicContact CB-CE1 4.26Å; M165-F210 HydrophobicContact CB-CE2 3.94Å; M165-F210 HydrophobicContact CB-CZ 3.61Å; M165-F210 HydrophobicContact CE-CD1 3.71Å; M165-F210 HydrophobicContact CE-CE1 3.55Å; M165-F210 HydrophobicContact CE-CG 4.31Å; M165-F210 HydrophobicContact CE-CZ 4.03Å; M165-F210 HydrophobicContact CG-CZ 4.44Å
166D97.8Very high98.4Very high51 Ų5143.4 Ų43.427%0.27323%0.225SC..  trans-147.6108.2174.5173.812.7000109.6L123 V162 L163 Q168 C169L123-D166 HydrophobicContact CD1-CB 4Å; L123-D166 HydrophobicContact CD2-CB 3.87Å; V162-D166 PolarHBondContact O-N 3.32Å; L163-D166 CarbonylContact O-C 3.55Å; D166-Q168 PolarHBondContact O-N 2.95Å; D166-Q168 VanDerWaalsContact O-N 3.11Å; D166-Q168 PolarHBondContact OD1-N 2.86Å; D166-C169 HydrophobicContact CB-CB 4.1Å; D166-C169 WeakPolarHBondContact O-CB 3.38Å; D166-C169 PolarHBondContact O-N 3.45Å; D166-C169 PolarHBondContact O-SG 3.15Å
167S97.5Very high98.3Very high91 Ų9146.5 Ų46.564%0.63625%0.245SC*.THydrogen-bonded Turntrans-63.4-15.8-178.864.70000114.5L163L163-S167 VanDerWaalsContact O-CA 3.31Å; L163-S167 WeakPolarHBondContact O-CA 3.46Å; L163-S167 PolarHBondContact O-N 2.76Å
168Q98.2Very high98.3Very high128 Ų12850 Ų5060%0.59827%0.27SS*.THydrogen-bonded Turntrans-101.7-3.5-177.6-63.9-176.3-22.600113D166 L170 N171D166-Q168 PolarHBondContact O-N 2.95Å; D166-Q168 VanDerWaalsContact O-N 3.11Å; D166-Q168 PolarHBondContact OD1-N 2.86Å; Q168-L170 PolarHBondContact O-N 2.85Å; Q168-N171 WeakPolarHBondContact O-CB 3.41Å; Q168-N171 VanDerWaalsContact O-CG 3.28Å; Q168-N171 PolarHBondContact O-N 3.1Å
169C98.4Very high98.2Very high17 Ų1750.1 Ų50.112%0.11527%0.27CS..THydrogen-bonded Turntrans-62.9-15.8-172.669.40000114.5L126 D166 F173L126-C169 HydrophobicContact CD2-CB 4.03Å; D166-C169 HydrophobicContact CB-CB 4.1Å; D166-C169 WeakPolarHBondContact O-CB 3.38Å; D166-C169 PolarHBondContact O-N 3.45Å; D166-C169 PolarHBondContact O-SG 3.15Å; C169-F173 WeakPolarHBondContact O-CD2 3.49Å
170L98.6Very high98.2Very high8 Ų851.4 Ų51.44%0.04228%0.275CS..THydrogen-bonded Turntrans-99.80.8177.8-56.3-169.3000114.4L130 L159 L163 Q168 E172 F173 L176 V177L130-L170 HydrophobicContact CD1-CD2 3.72Å; L130-L170 HydrophobicContact CD2-CD2 4.21Å; L159-L170 HydrophobicContact CD2-CD1 4.12Å; L159-L170 HydrophobicContact CD2-CD2 3.84Å; L163-L170 HydrophobicContact CD1-CD1 3.83Å; L163-L170 HydrophobicContact CD2-CB 4.4Å; L163-L170 HydrophobicContact CD2-CD1 3.91Å; L163-L170 HydrophobicContact CD2-CG 3.84Å; L163-L170 HydrophobicContact CG-CD1 3.93Å; L163-L170 HydrophobicContact CG-CG 4.23Å; Q168-L170 PolarHBondContact O-N 2.85Å; L170-E172 PolarHBondContact O-N 3.08Å; L170-F173 PolarHBondContact O-N 3.03Å; L170-L176 HydrophobicContact CD2-CD1 4.44Å; L170-V177 HydrophobicContact CB-CG2 3.86Å
171N98.4Very high98.2Very high122 Ų12256.6 Ų56.665%0.65230%0.297SS*.THydrogen-bonded Turntrans-59.5-32.2-174.8-76.1-5.9000113.5Q168 F173Q168-N171 WeakPolarHBondContact O-CB 3.41Å; Q168-N171 VanDerWaalsContact O-CG 3.28Å; Q168-N171 PolarHBondContact O-N 3.1Å; N171-F173 VanDerWaalsContact C-N 3.34Å
172E98Very high98.2Very high160 Ų16058.4 Ų58.475%0.74831%0.309SS*.THydrogen-bonded Turntrans-891.5178.2-59.7-172.9161.400113.4L170 P174L170-E172 PolarHBondContact O-N 3.08Å; E172-P174 WeakPolarHBondContact O-CD 3.39Å
173F98.5Very high98.2Very high10 Ų1058.4 Ų58.44%0.04431%0.309CS..  trans-126.568.3-171-54.1-72.9000112.1P127 L130 K131 E134 C169 L170 N171 K175 L176 V177P127-F173 HydrophobicContact CB-CE2 4.47Å; P127-F173 HydrophobicContact CB-CZ 4.04Å; L130-F173 HydrophobicContact CB-CD1 4.23Å; L130-F173 HydrophobicContact CB-CD2 4.01Å; L130-F173 HydrophobicContact CB-CE1 4.03Å; L130-F173 HydrophobicContact CB-CE2 3.8Å; L130-F173 HydrophobicContact CB-CG 4.23Å; L130-F173 HydrophobicContact CB-CZ 3.81Å; L130-F173 HydrophobicContact CD1-CD2 3.85Å; L130-F173 HydrophobicContact CD1-CE2 3.71Å; L130-F173 HydrophobicContact CD1-CZ 4.49Å; L130-F173 HydrophobicContact CG-CE2 4.43Å; K131-F173 HydrophobicContact CB-CE1 4.06Å; K131-F173 HydrophobicContact CD-CE1 4.27Å; E134-F173 HydrophobicContact CB-CD1 3.8Å; E134-F173 HydrophobicContact CG-CD1 3.95Å; E134-F173 VanDerWaalsContact OE2-CA 3.32Å; E134-F173 WeakPolarHBondContact OE2-CA 3.01Å; E134-F173 WeakPolarHBondContact OE2-CB 3.49Å; C169-F173 WeakPolarHBondContact O-CD2 3.49Å; L170-F173 PolarHBondContact O-N 3.03Å; N171-F173 VanDerWaalsContact C-N 3.34Å; F173-K175 VanDerWaalsContact C-N 3.29Å; F173-K175 PolarHBondContact O-N 3.45Å; F173-L176 HydrophobicContact CB-CB 3.98Å; F173-L176 HydrophobicContact CB-CD1 3.79Å; F173-L176 HydrophobicContact CB-CG 4.14Å; F173-L176 HydrophobicContact CG-CD1 4.12Å; F173-L176 WeakPolarHBondContact O-CB 3.48Å; F173-L176 PolarHBondContact O-N 3.49Å; F173-L176 VanDerWaalsContact O-N 3.11Å; F173-V177 PolarHBondContact O-N 2.86Å; F173-V177 VanDerWaalsContact O-N 3.11Å
174P98.1Very high98.2Very high80 Ų8059 Ų5952%0.51931%0.311SS..Hα-helixtrans-64.2-27.3-17425.9-35.2000114E172 S178E172-P174 WeakPolarHBondContact O-CD 3.39Å; P174-S178 WeakPolarHBondContact O-CB 3.35Å; P174-S178 PolarHBondContact O-N 3.01Å; P174-S178 PolarHBondContact O-OG 3Å
175K98.4Very high98.2Very high78 Ų7859.1 Ų59.134%0.33932%0.317SS..Hα-helixtrans-73.9-34.3174.5-62-179.5-149.172.40111.3E134 L137 F173 S178 F179E134-K175 VanDerWaalsContact OE1-CB 3.31Å; E134-K175 WeakPolarHBondContact OE1-CB 3.36Å; E134-K175 VanDerWaalsContact OE1-CG 3.22Å; E134-K175 WeakPolarHBondContact OE1-CG 3.46Å; E134-K175 PolarHBondContact OE1-N 3.25Å; E134-K175 IonicContact OE1-NZ 3.18Å; E134-K175 PolarHBondContact OE1-NZ 3.02Å; E134-K175 WeakPolarHBondContact OE2-CA 3.39Å; E134-K175 WeakPolarHBondContact OE2-CB 3.45Å; E134-K175 PolarHBondContact OE2-N 2.83Å; L137-K175 HydrophobicContact CB-CB 4.23Å; L137-K175 HydrophobicContact CB-CD 4.46Å; F173-K175 VanDerWaalsContact C-N 3.29Å; F173-K175 PolarHBondContact O-N 3.45Å; K175-S178 PolarHBondContact O-N 3.2Å; K175-F179 WeakPolarHBondContact O-CB 3.17Å; K175-F179 PolarHBondContact O-N 3.43Å
176L98.7Very high98.2Very high0 Ų059.8 Ų59.80%032%0.321CS..Hα-helixtrans-64.4-40.1171.4-72.6178.6000112.5L130 F133 E134 L137 L155 L159 L170 F173 S178 F179 K180L130-L176 HydrophobicContact CB-CD1 3.78Å; L130-L176 HydrophobicContact CD2-CD1 3.85Å; L130-L176 HydrophobicContact CG-CD1 4.31Å; F133-L176 HydrophobicContact CB-CD2 3.75Å; E134-L176 HydrophobicContact CB-CG 4.46Å; E134-L176 PolarHBondContact OE2-N 3.29Å; L137-L176 HydrophobicContact CD1-CD2 3.73Å; L155-L176 HydrophobicContact CD2-CD2 4.1Å; L159-L176 HydrophobicContact CD1-CD2 4.21Å; L159-L176 HydrophobicContact CD2-CD1 4.25Å; L159-L176 HydrophobicContact CD2-CD2 4.34Å; L170-L176 HydrophobicContact CD2-CD1 4.44Å; F173-L176 HydrophobicContact CB-CB 3.98Å; F173-L176 HydrophobicContact CB-CD1 3.79Å; F173-L176 HydrophobicContact CB-CG 4.14Å; F173-L176 HydrophobicContact CG-CD1 4.12Å; F173-L176 WeakPolarHBondContact O-CB 3.48Å; F173-L176 PolarHBondContact O-N 3.49Å; F173-L176 VanDerWaalsContact O-N 3.11Å; L176-S178 VanDerWaalsContact C-N 3.33Å; L176-F179 PolarHBondContact O-N 3.43Å; L176-K180 PolarHBondContact O-N 3.23Å
177V98.4Very high98.3Very high73 Ų7361.3 Ų61.344%0.44233%0.333SS..Hα-helixtrans-60.3-46.4172.3175.30000110.6L170 F173 K180 K181L170-V177 HydrophobicContact CB-CG2 3.86Å; F173-V177 PolarHBondContact O-N 2.86Å; F173-V177 VanDerWaalsContact O-N 3.11Å; V177-K180 PolarHBondContact O-N 3.21Å; V177-K181 PolarHBondContact O-N 2.94Å
178S97.4Very high98.3Very high77 Ų7759.3 Ų59.354%0.53831%0.314SS..Hα-helixtrans-64.2-40.2178-57.50000112.2P174 K175 L176 K181 C182P174-S178 WeakPolarHBondContact O-CB 3.35Å; P174-S178 PolarHBondContact O-N 3.01Å; P174-S178 PolarHBondContact O-OG 3Å; K175-S178 PolarHBondContact O-N 3.2Å; L176-S178 VanDerWaalsContact C-N 3.33Å; S178-K181 PolarHBondContact O-N 2.85Å; S178-C182 WeakPolarHBondContact O-CB 3.18Å; S178-C182 PolarHBondContact O-N 3.26Å
179F98.6Very high98.3Very high4 Ų453.2 Ų53.22%0.01829%0.285CS..Hα-helixtrans-62.2-48.4176.5169.7-92000111.4L137 Y142 L143 D152 L155 L159 K175 L176 K181 C182 I183L137-F179 HydrophobicContact CD1-CB 3.73Å; L137-F179 HydrophobicContact CD1-CD2 4.11Å; L137-F179 HydrophobicContact CD1-CG 3.92Å; L137-F179 HydrophobicContact CD2-CD2 3.72Å; L137-F179 HydrophobicContact CD2-CE2 4.33Å; L137-F179 HydrophobicContact CD2-CG 4.37Å; Y142-F179 HydrophobicContact CD1-CE2 4.46Å; L143-F179 HydrophobicContact CG-CE2 4.41Å; D152-F179 HydrophobicContact CB-CE2 4.19Å; D152-F179 HydrophobicContact CB-CZ 3.92Å; D152-F179 WeakPolarHBondContact O-CZ 3.47Å; D152-F179 WeakPolarHBondContact OD1-CE2 3.32Å; L155-F179 HydrophobicContact CB-CE1 4.01Å; L155-F179 HydrophobicContact CB-CZ 4.27Å; L155-F179 HydrophobicContact CD2-CD1 4.09Å; L155-F179 HydrophobicContact CD2-CE1 3.71Å; L155-F179 HydrophobicContact CD2-CZ 4.06Å; L155-F179 HydrophobicContact CG-CD1 4.4Å; L155-F179 HydrophobicContact CG-CE1 3.8Å; L155-F179 HydrophobicContact CG-CZ 4.4Å; L159-F179 HydrophobicContact CD1-CD1 3.87Å; L159-F179 HydrophobicContact CD1-CE1 4.28Å; K175-F179 WeakPolarHBondContact O-CB 3.17Å; K175-F179 PolarHBondContact O-N 3.43Å; L176-F179 PolarHBondContact O-N 3.43Å; F179-K181 VanDerWaalsContact C-N 3.28Å; F179-K181 PolarHBondContact O-N 3.11Å; F179-C182 WeakPolarHBondContact O-CB 3.35Å; F179-C182 PolarHBondContact O-N 2.96Å; F179-C182 VanDerWaalsContact O-N 3.08Å; F179-I183 HydrophobicContact CE1-CG1 4.04Å; F179-I183 HydrophobicContact CE2-CD1 4.22Å; F179-I183 HydrophobicContact CE2-CG1 4.17Å; F179-I183 HydrophobicContact CZ-CD1 4.1Å; F179-I183 HydrophobicContact CZ-CG1 3.84Å; F179-I183 WeakPolarHBondContact O-CG1 3.34Å; F179-I183 PolarHBondContact O-N 3.45Å
180K98.7Very high98.4Very high28 Ų2857.5 Ų57.512%0.12230%0.302CS..Hα-helixtrans-56.2-46.4177.4-172.6177.5-168.4-75.10110.9Y156 L159 D160 L163 L176 V177 I183 E184Y156-K180 HydrophobicContact CD2-CG 3.84Å; Y156-K180 HydrophobicContact CE2-CG 3.7Å; L159-K180 HydrophobicContact CB-CD 4.46Å; L159-K180 HydrophobicContact CD1-CB 4.31Å; D160-K180 IonicContact OD1-NZ 2.62Å; D160-K180 PolarHBondContact OD1-NZ 2.88Å; L163-K180 HydrophobicContact CD1-CD 3.8Å; L176-K180 PolarHBondContact O-N 3.23Å; V177-K180 PolarHBondContact O-N 3.21Å; K180-I183 PolarHBondContact O-N 3.29Å; K180-E184 IonicContact NZ-OE1 2.94Å; K180-E184 PolarHBondContact NZ-OE1 3.44Å; K180-E184 WeakPolarHBondContact O-CG 3.31Å; K180-E184 PolarHBondContact O-N 3.02Å; K180-E184 VanDerWaalsContact O-N 3.11Å
181K98.2Very high98.4Very high127 Ų12762.6 Ų62.655%0.55233%0.329SS*.Hα-helixtrans-63.1-41.8176-177172.8-178.71770112.3V177 S178 F179 I183 E184 D185V177-K181 PolarHBondContact O-N 2.94Å; S178-K181 PolarHBondContact O-N 2.85Å; F179-K181 VanDerWaalsContact C-N 3.28Å; F179-K181 PolarHBondContact O-N 3.11Å; K181-I183 VanDerWaalsContact C-N 3.28Å; K181-I183 PolarHBondContact O-N 2.87Å; K181-E184 PolarHBondContact O-N 3.14Å; K181-E184 VanDerWaalsContact O-N 3.12Å; K181-D185 WeakPolarHBondContact CE-OD2 3.45Å; K181-D185 WeakPolarHBondContact CG-OD2 3.1Å; K181-D185 WeakPolarHBondContact O-CB 3.5Å; K181-D185 PolarHBondContact O-N 3.27Å
182C97.5Very high98.4Very high38 Ų3856.9 Ų56.926%0.25730%0.299SS..Hα-helixtrans-59.1-39.7177.7-170.50000112.1S178 F179 D185 L186S178-C182 WeakPolarHBondContact O-CB 3.18Å; S178-C182 PolarHBondContact O-N 3.26Å; F179-C182 WeakPolarHBondContact O-CB 3.35Å; F179-C182 PolarHBondContact O-N 2.96Å; F179-C182 VanDerWaalsContact O-N 3.08Å; C182-D185 PolarHBondContact O-N 3.42Å; C182-L186 PolarHBondContact O-N 2.93Å
183I98.7Very high98.4Very high0 Ų050.9 Ų50.90%027%0.271CS..Hα-helixtrans-67.4-41.3174.8-61.4-63.8000111.2Y142 D152 F153 Y156 F179 K180 K181 D185 L186 I189Y142-I183 HydrophobicContact CD1-CD1 4.04Å; Y142-I183 HydrophobicContact CE1-CD1 3.91Å; D152-I183 HydrophobicContact CB-CD1 4.04Å; F153-I183 HydrophobicContact CD1-CG2 4.16Å; F153-I183 HydrophobicContact CE1-CG2 4.23Å; Y156-I183 HydrophobicContact CD1-CG2 4.38Å; Y156-I183 HydrophobicContact CD2-CB 3.84Å; Y156-I183 HydrophobicContact CD2-CG2 3.69Å; Y156-I183 HydrophobicContact CE2-CG2 4.32Å; Y156-I183 HydrophobicContact CG-CB 4.3Å; Y156-I183 HydrophobicContact CG-CG2 3.73Å; F179-I183 HydrophobicContact CE1-CG1 4.04Å; F179-I183 HydrophobicContact CE2-CD1 4.22Å; F179-I183 HydrophobicContact CE2-CG1 4.17Å; F179-I183 HydrophobicContact CZ-CD1 4.1Å; F179-I183 HydrophobicContact CZ-CG1 3.84Å; F179-I183 WeakPolarHBondContact O-CG1 3.34Å; F179-I183 PolarHBondContact O-N 3.45Å; K180-I183 PolarHBondContact O-N 3.29Å; K181-I183 VanDerWaalsContact C-N 3.28Å; K181-I183 PolarHBondContact O-N 2.87Å; I183-D185 VanDerWaalsContact C-N 3.29Å; I183-D185 PolarHBondContact O-N 3.31Å; I183-L186 HydrophobicContact CD1-CD1 4.27Å; I183-L186 WeakPolarHBondContact O-CB 3.48Å; I183-L186 PolarHBondContact O-N 3.31Å; I183-I189 HydrophobicContact CG2-CG2 4.44Å; I183-I189 WeakPolarHBondContact O-CB 3.5Å; I183-I189 WeakPolarHBondContact O-CG2 3.46Å
184E98.6Very high98.4Very high58 Ų5856.8 Ų56.827%0.27130%0.303SS..Hα-helixtrans-67.1-28.4177.8-71.1170166.800113.5Y156 K180 K181 K190 L193Y156-E184 HydrophobicContact CE2-CG 3.49Å; Y156-E184 VanDerWaalsContact CE2-CG 3.49Å; Y156-E184 WeakPolarHBondContact CE2-OE1 3.33Å; Y156-E184 WeakPolarHBondContact OH-CG 3.46Å; Y156-E184 PolarHBondContact OH-OE1 3.13Å; K180-E184 IonicContact NZ-OE1 2.94Å; K180-E184 PolarHBondContact NZ-OE1 3.44Å; K180-E184 WeakPolarHBondContact O-CG 3.31Å; K180-E184 PolarHBondContact O-N 3.02Å; K180-E184 VanDerWaalsContact O-N 3.11Å; K181-E184 PolarHBondContact O-N 3.14Å; K181-E184 VanDerWaalsContact O-N 3.12Å; E184-K190 WeakPolarHBondContact O-CB 3.43Å; E184-L193 HydrophobicContact CG-CD1 4.06Å
185D98.3Very high98.4Very high84 Ų8454.8 Ų54.845%0.44929%0.291SS..THydrogen-bonded Turntrans-83.7-8.5179.3-77.6-28.6000113.1K181 C182 I183K181-D185 WeakPolarHBondContact CE-OD2 3.45Å; K181-D185 WeakPolarHBondContact CG-OD2 3.1Å; K181-D185 WeakPolarHBondContact O-CB 3.5Å; K181-D185 PolarHBondContact O-N 3.27Å; C182-D185 PolarHBondContact O-N 3.42Å; I183-D185 VanDerWaalsContact C-N 3.29Å; I183-D185 PolarHBondContact O-N 3.31Å
186L98.2Very high98.3Very high22 Ų2257.1 Ų57.112%0.11532%0.318CS..SBendtrans-59.3125.7169-71.6171.8000109.3V148 F153 C182 I183 Q188 I189 K190V148-L186 HydrophobicContact CG2-CD1 4.38Å; F153-L186 HydrophobicContact CE1-CD1 4.29Å; C182-L186 PolarHBondContact O-N 2.93Å; I183-L186 HydrophobicContact CD1-CD1 4.27Å; I183-L186 WeakPolarHBondContact O-CB 3.48Å; I183-L186 PolarHBondContact O-N 3.31Å; L186-Q188 VanDerWaalsContact C-N 3.31Å; L186-Q188 PolarHBondContact O-N 3.48Å; L186-I189 HydrophobicContact CB-CB 4.05Å; L186-I189 HydrophobicContact CB-CG1 3.87Å; L186-I189 HydrophobicContact CD1-CG1 4.08Å; L186-I189 PolarHBondContact O-N 3.35Å; L186-K190 WeakPolarHBondContact O-CB 3.42Å; L186-K190 PolarHBondContact O-N 2.88Å
187P98.5Very high98.2Very high83 Ų8363.8 Ų63.854%0.53934%0.343SS..Hα-helixtrans-53.9-44.5-172-28.935.2000114K190 N191P187-K190 PolarHBondContact O-N 3.1Å; P187-N191 WeakPolarHBondContact O-CB 3.39Å; P187-N191 PolarHBondContact O-N 3.3Å; P187-N191 PolarHBondContact O-ND2 3.3Å
188Q98.4Very high98.2Very high48 Ų4862.4 Ų62.422%0.22433%0.33CS..Hα-helixtrans-63.4-44.4178.7-6382.6-2.100111.9E22 E25 L186 N191 Y192E22-Q188 WeakPolarHBondContact O-CB 3.48Å; E25-Q188 HydrophobicContact CG-CG 3.59Å; E25-Q188 PolarHBondContact OE2-NE2 2.72Å; L186-Q188 VanDerWaalsContact C-N 3.31Å; L186-Q188 PolarHBondContact O-N 3.48Å; Q188-N191 PolarHBondContact O-N 2.81Å; Q188-Y192 WeakPolarHBondContact O-CB 3.32Å; Q188-Y192 PolarHBondContact O-N 2.93Å
189I98.7Very high98.2Very high0 Ų059.7 Ų59.70%031%0.309CS..Hα-helixtrans-67.7-45.7179.2-59.1-54.4000110.3L19 H23 F153 I183 L186 N191 Y192 L193L19-I189 HydrophobicContact CB-CD1 4.26Å; L19-I189 HydrophobicContact CD2-CD1 4.05Å; L19-I189 HydrophobicContact CD2-CG2 4.09Å; L19-I189 VanDerWaalsContact O-CD1 3.3Å; L19-I189 WeakPolarHBondContact O-CD1 3.45Å; H23-I189 HydrophobicContact CB-CD1 3.97Å; F153-I189 HydrophobicContact CD1-CD1 4.43Å; F153-I189 HydrophobicContact CE1-CD1 3.83Å; F153-I189 HydrophobicContact CE1-CG1 4.04Å; I183-I189 HydrophobicContact CG2-CG2 4.44Å; I183-I189 WeakPolarHBondContact O-CB 3.5Å; I183-I189 WeakPolarHBondContact O-CG2 3.46Å; L186-I189 HydrophobicContact CB-CB 4.05Å; L186-I189 HydrophobicContact CB-CG1 3.87Å; L186-I189 HydrophobicContact CD1-CG1 4.08Å; L186-I189 PolarHBondContact O-N 3.35Å; I189-N191 VanDerWaalsContact C-N 3.27Å; I189-N191 PolarHBondContact O-N 2.83Å; I189-Y192 PolarHBondContact O-N 3.11Å; I189-Y192 VanDerWaalsContact O-N 3.14Å; I189-L193 HydrophobicContact CG2-CD1 3.84Å; I189-L193 HydrophobicContact CG2-CG 4.06Å; I189-L193 WeakPolarHBondContact O-CB 3.3Å; I189-L193 VanDerWaalsContact O-CG 3.27Å; I189-L193 WeakPolarHBondContact O-CG 3.24Å; I189-L193 PolarHBondContact O-N 2.95Å
190K98.7Very high98.2Very high107 Ų10765.2 Ų65.247%0.46533%0.333SS..Hα-helixtrans-55.5-44.5175.4-169.5170.3-177.1167.30111.5E184 L186 P187 N194E184-K190 WeakPolarHBondContact O-CB 3.43Å; L186-K190 WeakPolarHBondContact O-CB 3.42Å; L186-K190 PolarHBondContact O-N 2.88Å; P187-K190 PolarHBondContact O-N 3.1Å; K190-N194 PolarHBondContact O-N 3.15Å; K190-N194 PolarHBondContact O-ND2 3.03Å
191N98.6Very high98.2Very high115 Ų11565.3 Ų65.362%0.61533%0.333SS*.Hα-helixtrans-64.1-46.5176.6-70.8-16.7000111.3P187 Q188 I189 L193 N194 S195P187-N191 WeakPolarHBondContact O-CB 3.39Å; P187-N191 PolarHBondContact O-N 3.3Å; P187-N191 PolarHBondContact O-ND2 3.3Å; Q188-N191 PolarHBondContact O-N 2.81Å; I189-N191 VanDerWaalsContact C-N 3.27Å; I189-N191 PolarHBondContact O-N 2.83Å; N191-L193 PolarHBondContact O-N 3.29Å; N191-N194 CarbonylContact O-C 3.41Å; N191-N194 PolarHBondContact O-N 3.02Å; N191-S195 PolarHBondContact O-N 2.9Å; N191-S195 VanDerWaalsContact O-N 3.11Å
192Y98.7Very high98.2Very high3 Ų359.4 Ų59.41%0.01231%0.307CS..Hα-helixtrans-59.1-48.8177.8169.3-120.1000112.3R18 L19 E22 Q188 I189 N194 S195 R197 Y198R18-Y192 HydrophobicContact CB-CE1 4.49Å; R18-Y192 WeakPolarHBondContact CB-OH 3.2Å; R18-Y192 VanDerWaalsContact CD-OH 3.25Å; R18-Y192 WeakPolarHBondContact CD-OH 3.37Å; L19-Y192 HydrophobicContact CD2-CD1 3.85Å; L19-Y192 HydrophobicContact CD2-CE1 3.83Å; L19-Y192 HydrophobicContact CG-CE1 4.42Å; E22-Y192 HydrophobicContact CB-CD1 4.42Å; E22-Y192 HydrophobicContact CB-CD2 4.49Å; E22-Y192 HydrophobicContact CB-CG 4.06Å; E22-Y192 VanDerWaalsContact CD-CD2 3.41Å; E22-Y192 HydrophobicContact CG-CD1 4.09Å; E22-Y192 HydrophobicContact CG-CD2 3.54Å; E22-Y192 HydrophobicContact CG-CE1 4.47Å; E22-Y192 HydrophobicContact CG-CE2 4Å; E22-Y192 HydrophobicContact CG-CG 3.58Å; E22-Y192 WeakPolarHBondContact OE1-CD2 3.4Å; Q188-Y192 WeakPolarHBondContact O-CB 3.32Å; Q188-Y192 PolarHBondContact O-N 2.93Å; I189-Y192 PolarHBondContact O-N 3.11Å; I189-Y192 VanDerWaalsContact O-N 3.14Å; Y192-N194 PolarHBondContact O-N 3.34Å; Y192-N194 VanDerWaalsContact O-N 3.17Å; Y192-S195 VanDerWaalsContact O-CB 3.3Å; Y192-S195 WeakPolarHBondContact O-CB 3.45Å; Y192-S195 PolarHBondContact O-N 2.86Å; Y192-S195 PolarHBondContact O-OG 3.06Å; Y192-R197 HydrophobicContact CD2-CB 4.43Å; Y192-R197 HydrophobicContact CE2-CB 4.08Å; Y192-Y198 AromaticContact CE1-CD2 3.89Å; Y192-Y198 HydrophobicContact CE1-CD2 3.89Å; Y192-Y198 WeakPolarHBondContact O-CB 3.09Å
193L98.6Very high98.3Very high33 Ų3357.6 Ų57.617%0.17330%0.295CS..Hα-helixtrans-61.7-23.9-179.8-66.7177.8000113.4E184 I189 N191 Y198E184-L193 HydrophobicContact CG-CD1 4.06Å; I189-L193 HydrophobicContact CG2-CD1 3.84Å; I189-L193 HydrophobicContact CG2-CG 4.06Å; I189-L193 WeakPolarHBondContact O-CB 3.3Å; I189-L193 VanDerWaalsContact O-CG 3.27Å; I189-L193 WeakPolarHBondContact O-CG 3.24Å; I189-L193 PolarHBondContact O-N 2.95Å; N191-L193 PolarHBondContact O-N 3.29Å; L193-Y198 HydrophobicContact CD2-CD1 4.35Å; L193-Y198 HydrophobicContact CD2-CD2 3.71Å; L193-Y198 HydrophobicContact CD2-CE1 4.1Å; L193-Y198 HydrophobicContact CD2-CE2 3.42Å; L193-Y198 VanDerWaalsContact CD2-CE2 3.42Å; L193-Y198 HydrophobicContact CD2-CG 4.17Å; L193-Y198 WeakPolarHBondContact O-CD1 3.35Å
194N98.4Very high98.2Very high134 Ų13457.7 Ų57.772%0.71730%0.295SS*.THydrogen-bonded Turntrans-97.30.6175.1-70.5-70.9000113.5K190 N191 Y192K190-N194 PolarHBondContact O-N 3.15Å; K190-N194 PolarHBondContact O-ND2 3.03Å; N191-N194 CarbonylContact O-C 3.41Å; N191-N194 PolarHBondContact O-N 3.02Å; Y192-N194 PolarHBondContact O-N 3.34Å; Y192-N194 VanDerWaalsContact O-N 3.17Å
195S98.1Very high98.2Very high38 Ų3855.7 Ų55.727%0.26629%0.29SS..SBendtrans-87.6163.2-179.780.60000112.3N191 Y192 R197 Y198N191-S195 PolarHBondContact O-N 2.9Å; N191-S195 VanDerWaalsContact O-N 3.11Å; Y192-S195 VanDerWaalsContact O-CB 3.3Å; Y192-S195 WeakPolarHBondContact O-CB 3.45Å; Y192-S195 PolarHBondContact O-N 2.86Å; Y192-S195 PolarHBondContact O-OG 3.06Å; S195-R197 PolarHBondContact O-N 3.49Å; S195-R197 PolarHBondContact OG-N 3.08Å; S195-Y198 PolarHBondContact O-N 3.31Å
196S97Very high98.2Very high128 Ų12853 Ų5390%0.89527%0.274SS*.THydrogen-bonded Turntrans-69.1-11.5171.860.50000114
197R96Very high98.1Very high140 Ų14057.9 Ų57.953%0.52830%0.3SS..THydrogen-bonded Turntrans-80.5-20.4176.8-61.6-162.6-64.9-116.41112.5E22 Y192 S195 I199E22-R197 IonicContact OE1-CZ 3.22Å; E22-R197 IonicContact OE1-NE 2.62Å; E22-R197 PolarHBondContact OE1-NE 3.36Å; E22-R197 IonicContact OE1-NH2 2.66Å; E22-R197 PolarHBondContact OE1-NH2 3.2Å; E22-R197 IonicContact OE2-CZ 3.71Å; E22-R197 IonicContact OE2-NH2 2.69Å; E22-R197 PolarHBondContact OE2-NH2 3.03Å; Y192-R197 HydrophobicContact CD2-CB 4.43Å; Y192-R197 HydrophobicContact CE2-CB 4.08Å; S195-R197 PolarHBondContact O-N 3.49Å; S195-R197 PolarHBondContact OG-N 3.08Å; R197-I199 PolarHBondContact O-N 3.07Å
198Y98.4Very high98.1Very high43 Ų4354.4 Ų54.417%0.16928%0.278CS..  trans-70.4115.2-176.4174.5-124000111.9K11 Y192 L193 S195 K200K11-Y198 WeakPolarHBondContact CE-OH 3.4Å; K11-Y198 PolarHBondContact NZ-OH 2.82Å; Y192-Y198 AromaticContact CE1-CD2 3.89Å; Y192-Y198 HydrophobicContact CE1-CD2 3.89Å; Y192-Y198 WeakPolarHBondContact O-CB 3.09Å; L193-Y198 HydrophobicContact CD2-CD1 4.35Å; L193-Y198 HydrophobicContact CD2-CD2 3.71Å; L193-Y198 HydrophobicContact CD2-CE1 4.1Å; L193-Y198 HydrophobicContact CD2-CE2 3.42Å; L193-Y198 VanDerWaalsContact CD2-CE2 3.42Å; L193-Y198 HydrophobicContact CD2-CG 4.17Å; L193-Y198 WeakPolarHBondContact O-CD1 3.35Å; S195-Y198 PolarHBondContact O-N 3.31Å; Y198-K200 HydrophobicContact CD1-CB 4.04Å; Y198-K200 HydrophobicContact CE1-CB 3.52Å; Y198-K200 HydrophobicContact CE1-CD 4.23Å; Y198-K200 HydrophobicContact CE1-CG 3.75Å; Y198-K200 PolarHBondContact O-N 2.78Å
199I98.2Very high98.1Very high20 Ų2055.9 Ų55.910%0.10329%0.291CS..  trans-84.999.3171-63.4161.3000108.3K9 K11 R197K9-I199 HydrophobicContact CG-CD1 3.9Å; K9-I199 HydrophobicContact CG-CG1 4.34Å; K11-I199 VanDerWaalsContact CE-O 3.29Å; K11-I199 WeakPolarHBondContact CE-O 3.49Å; K11-I199 VanDerWaalsContact CG-O 3.24Å; K11-I199 WeakPolarHBondContact CG-O 3.45Å; R197-I199 PolarHBondContact O-N 3.07Å
200K97.6Very high98.1Very high121 Ų12156.7 Ų56.753%0.52630%0.295SS..  trans-75.5-33.7178.5-170.5172.2-178.1176.30113.1K11 Y198K11-K200 WeakPolarHBondContact CE-O 3.4Å; K11-K200 PolarHBondContact NZ-O 3.01Å; K11-K200 VanDerWaalsContact NZ-O 3.13Å; Y198-K200 HydrophobicContact CD1-CB 4.04Å; Y198-K200 HydrophobicContact CE1-CB 3.52Å; Y198-K200 HydrophobicContact CE1-CD 4.23Å; Y198-K200 HydrophobicContact CE1-CG 3.75Å; Y198-K200 PolarHBondContact O-N 2.78Å
201W98.6Very high98Very high29 Ų2951.8 Ų51.811%0.1127%0.274CS..SBendtrans-151.1149.3-174.5-167.3-91000109.8Y164 L203 G212 G213 T215 P216Y164-W201 HydrophobicContact CD1-CH2 4.47Å; Y164-W201 AromaticContact CD1-CZ3 3.73Å; Y164-W201 HydrophobicContact CD1-CZ3 3.73Å; Y164-W201 HydrophobicContact CE1-CE3 4.23Å; Y164-W201 AromaticContact CE1-CZ3 3.73Å; Y164-W201 HydrophobicContact CE1-CZ3 3.73Å; Y164-W201 HydrophobicContact CG-CZ3 4.22Å; W201-L203 HydrophobicContact CE3-CD2 3.89Å; W201-L203 HydrophobicContact CE3-CG 3.8Å; W201-L203 HydrophobicContact CH2-CD1 4.3Å; W201-L203 HydrophobicContact CH2-CG 4.18Å; W201-L203 HydrophobicContact CZ3-CD1 3.79Å; W201-L203 HydrophobicContact CZ3-CD2 3.97Å; W201-L203 HydrophobicContact CZ3-CG 3.53Å; W201-G212 WeakPolarHBondContact CZ2-O 3.49Å; W201-G212 PolarHBondContact NE1-O 3.18Å; W201-G213 VanDerWaalsContact CD1-O 3.29Å; W201-G213 PolarHBondContact NE1-O 2.82Å; W201-T215 VanDerWaalsContact CD1-C 3.47Å; W201-T215 VanDerWaalsContact NE1-C 3.28Å; W201-T215 PolarHBondContact NE1-O 3.38Å; W201-P216 HydrophobicContact CB-CG 4.17Å; W201-P216 HydrophobicContact CD2-CB 4.13Å; W201-P216 HydrophobicContact CD2-CG 3.72Å; W201-P216 HydrophobicContact CE3-CB 3.98Å; W201-P216 HydrophobicContact CE3-CG 3.72Å; W201-P216 HydrophobicContact CG-CG 3.92Å; W201-P216 HydrophobicContact CH2-CB 4.38Å; W201-P216 HydrophobicContact CZ3-CB 4.1Å; W201-P216 HydrophobicContact CZ3-CG 4.34Å
202P98.6Very high98Very high3 Ų346.9 Ų46.92%0.01925%0.251CS..  cis-75.5161.1-2.628.6-32.1000114.6V10 K11 Q204 W206 G211V10-P202 HydrophobicContact CB-CG 3.88Å; V10-P202 HydrophobicContact CG1-CG 3.47Å; V10-P202 VanDerWaalsContact CG1-CG 3.47Å; K11-P202 PolarHBondContact N-O 3.21Å; P202-Q204 WeakPolarHBondContact CB-O 3.32Å; P202-Q204 WeakPolarHBondContact CG-O 3.27Å; P202-W206 HydrophobicContact CG-CD2 4.49Å; P202-W206 HydrophobicContact CG-CG 4.27Å; P202-G211 WeakPolarHBondContact CB-O 3.06Å
203L98.6Very high98Very high0 Ų048 Ų480%026%0.263CS..SBendtrans-74.3-38.7175.1-50.7-178000110.8K11 G12 R103 V161 Y164 W201 F210 G211K11-L203 HydrophobicContact CD-CD2 3.9Å; G12-L203 WeakPolarHBondContact CA-O 3.14Å; G12-L203 PolarHBondContact N-O 3.17Å; R103-L203 PolarHBondContact NH2-O 3.41Å; V161-L203 HydrophobicContact CG1-CD1 4.36Å; V161-L203 HydrophobicContact CG2-CB 4.38Å; V161-L203 HydrophobicContact CG2-CD1 4.49Å; Y164-L203 HydrophobicContact CD2-CD1 3.85Å; Y164-L203 HydrophobicContact CD2-CD2 4.05Å; Y164-L203 HydrophobicContact CE2-CD2 4.15Å; Y164-L203 HydrophobicContact CG-CD1 3.81Å; W201-L203 HydrophobicContact CE3-CD2 3.89Å; W201-L203 HydrophobicContact CE3-CG 3.8Å; W201-L203 HydrophobicContact CH2-CD1 4.3Å; W201-L203 HydrophobicContact CH2-CG 4.18Å; W201-L203 HydrophobicContact CZ3-CD1 3.79Å; W201-L203 HydrophobicContact CZ3-CD2 3.97Å; W201-L203 HydrophobicContact CZ3-CG 3.53Å; L203-F210 HydrophobicContact CD1-CE1 4.31Å; L203-F210 HydrophobicContact CD1-CZ 4.07Å; L203-G211 PolarHBondContact N-O 3.36Å
204Q98.4Very high97.9Very high2 Ų251.3 Ų51.31%0.00928%0.281CS..SBendtrans-114.2-162.6176.7-46.6-59.57.100109.8V10 R103 A110 Y111 P202 A208 F210 G211V10-Q204 WeakPolarHBondContact CB-O 3.38Å; V10-Q204 WeakPolarHBondContact CG1-O 3.24Å; R103-Q204 VanDerWaalsContact NH1-NE2 3.16Å; A110-Q204 HydrophobicContact CB-CG 3.93Å; Y111-Q204 HydrophobicContact CE2-CB 4.35Å; P202-Q204 WeakPolarHBondContact CB-O 3.32Å; P202-Q204 WeakPolarHBondContact CG-O 3.27Å; Q204-A208 HydrophobicContact CB-CB 3.71Å; Q204-A208 HydrophobicContact CG-CB 4.24Å; Q204-F210 WeakPolarHBondContact CG-O 3.44Å; Q204-G211 PolarHBondContact N-O 3.2Å
205G97.8Very high97.7Very high16 Ų1650 Ų5017%0.16528%0.278CS..  trans-69155166.900000111.4Y111 D207 A208 G212Y111-G205 WeakPolarHBondContact OH-CA 3.38Å; Y111-G205 PolarHBondContact OH-N 3.1Å; G205-D207 PolarHBondContact O-N 3.29Å; G205-D207 VanDerWaalsContact O-N 3.08Å; G205-A208 WeakPolarHBondContact O-CB 3.38Å; G205-A208 PolarHBondContact O-N 3.28Å; G205-G212 WeakPolarHBondContact O-CA 3.44Å
206W98.2Very high97.6Very high29 Ų2950.5 Ų50.511%0.1128%0.281CS..THydrogen-bonded Turntrans-56.1-28.9-174.6-61.6-90.4000114.6W8 K9 V10 Y33 R35 P202 A208 G213 D214W8-W206 HydrophobicContact CB-CH2 4.08Å; W8-W206 HydrophobicContact CB-CZ3 4.09Å; W8-W206 HydrophobicContact CD2-CZ3 4.38Å; W8-W206 HydrophobicContact CE3-CH2 4.42Å; W8-W206 HydrophobicContact CE3-CZ3 4.12Å; W8-W206 HydrophobicContact CG-CZ3 4.39Å; K9-W206 HydrophobicContact CB-CH2 4.4Å; K9-W206 HydrophobicContact CB-CZ2 4.19Å; V10-W206 HydrophobicContact CG1-CD2 4.13Å; V10-W206 HydrophobicContact CG1-CE3 4.16Å; V10-W206 HydrophobicContact CG1-CH2 3.7Å; V10-W206 HydrophobicContact CG1-CZ2 3.66Å; V10-W206 HydrophobicContact CG1-CZ3 3.95Å; Y33-W206 WeakPolarHBondContact O-CH2 3.43Å; R35-W206 HydrophobicContact CB-CD2 3.66Å; R35-W206 HydrophobicContact CB-CE3 3.99Å; R35-W206 HydrophobicContact CB-CG 4.03Å; R35-W206 HydrophobicContact CB-CH2 4.35Å; R35-W206 HydrophobicContact CB-CZ2 4.05Å; R35-W206 HydrophobicContact CB-CZ3 4.33Å; R35-W206 HydrophobicContact CG-CB 4.02Å; R35-W206 HydrophobicContact CG-CD2 3.72Å; R35-W206 HydrophobicContact CG-CE3 3.99Å; R35-W206 HydrophobicContact CG-CG 3.72Å; P202-W206 HydrophobicContact CG-CD2 4.49Å; P202-W206 HydrophobicContact CG-CG 4.27Å; W206-A208 VanDerWaalsContact C-N 3.32Å; W206-A208 PolarHBondContact O-N 3.37Å; W206-G213 PolarHBondContact O-N 3.18Å; W206-D214 VanDerWaalsContact CD1-OD1 3.24Å
207D96.6Very high97.2Very high123 Ų12349.4 Ų49.466%0.65827%0.27SS*.THydrogen-bonded Turntrans-90.68.5-177.2-53.5-41.6000113.6R35 G205R35-D207 IonicContact CZ-OD1 2.65Å; R35-D207 IonicContact NH2-OD1 3.98Å; R35-D207 PolarHBondContact NH2-OD1 3.01Å; R35-D207 VanDerWaalsContact NH2-OD1 3.07Å; G205-D207 PolarHBondContact O-N 3.29Å; G205-D207 VanDerWaalsContact O-N 3.08Å
208A98.2Very high96.4Very high10 Ų1056.3 Ų56.38%0.08330%0.304CS..  trans-71.3138.6174.100000111.7A110 Y111 Q204 G205 W206 F210 G212A110-A208 CarbonylContact O-C 3.58Å; Y111-A208 HydrophobicContact CD1-CB 3.76Å; Y111-A208 HydrophobicContact CD2-CB 4.47Å; Y111-A208 HydrophobicContact CE1-CB 3.62Å; Y111-A208 HydrophobicContact CE2-CB 4.35Å; Y111-A208 HydrophobicContact CG-CB 4.2Å; Q204-A208 HydrophobicContact CB-CB 3.71Å; Q204-A208 HydrophobicContact CG-CB 4.24Å; G205-A208 WeakPolarHBondContact O-CB 3.38Å; G205-A208 PolarHBondContact O-N 3.28Å; W206-A208 VanDerWaalsContact C-N 3.32Å; W206-A208 PolarHBondContact O-N 3.37Å; A208-F210 VanDerWaalsContact C-N 3.3Å; A208-F210 WeakPolarHBondContact CB-O 3.38Å; A208-F210 PolarHBondContact O-N 3.46Å; A208-G212 WeakPolarHBondContact O-CA 3.3Å
209T98Very high96.3Very high80 Ų8057 Ų5749%0.49131%0.311SS..THydrogen-bonded Turntrans-60-41.1170.6-46.60000111.3A110 N112 Y115A110-T209 WeakPolarHBondContact O-CA 3.31Å; A110-T209 WeakPolarHBondContact O-CB 3.46Å; A110-T209 PolarHBondContact O-N 3.36Å; N112-T209 PolarHBondContact O-OG1 3.07Å; Y115-T209 HydrophobicContact CD1-CG2 4.16Å; Y115-T209 HydrophobicContact CG-CG2 4.24Å
210F98.3Very high96.2Very high17 Ų1758.9 Ų58.98%0.07532%0.322CS..THydrogen-bonded Turntrans-111.9130.9174.8171.4-105.7000111.9V106 A110 Y115 V161 M165 L203 Q204 A208 G212V106-F210 HydrophobicContact CG1-CD1 3.86Å; V106-F210 HydrophobicContact CG1-CE1 3.68Å; A110-F210 HydrophobicContact CB-CB 4.28Å; A110-F210 HydrophobicContact CB-CD1 4.32Å; A110-F210 PolarHBondContact O-N 3.48Å; Y115-F210 HydrophobicContact CD1-CB 4.09Å; Y115-F210 HydrophobicContact CD2-CB 3.77Å; Y115-F210 HydrophobicContact CE1-CB 3.72Å; Y115-F210 HydrophobicContact CE1-CD2 4.2Å; Y115-F210 HydrophobicContact CE1-CG 4.22Å; Y115-F210 HydrophobicContact CE2-CB 3.36Å; Y115-F210 HydrophobicContact CE2-CD1 4.23Å; Y115-F210 HydrophobicContact CE2-CD2 4.34Å; Y115-F210 AromaticContact CE2-CG 3.72Å; Y115-F210 HydrophobicContact CE2-CG 3.72Å; Y115-F210 HydrophobicContact CG-CB 4.12Å; Y115-F210 AromaticContact CZ-CD2 3.66Å; Y115-F210 AromaticContact CZ-CG 3.5Å; Y115-F210 VanDerWaalsContact CZ-CG 3.5Å; Y115-F210 WeakPolarHBondContact OH-CD2 3.42Å; Y115-F210 VanDerWaalsContact OH-CG 3.27Å; Y115-F210 WeakPolarHBondContact OH-CG 3.2Å; V161-F210 HydrophobicContact CG1-CE1 4.14Å; M165-F210 HydrophobicContact CB-CE1 4.26Å; M165-F210 HydrophobicContact CB-CE2 3.94Å; M165-F210 HydrophobicContact CB-CZ 3.61Å; M165-F210 HydrophobicContact CE-CD1 3.71Å; M165-F210 HydrophobicContact CE-CE1 3.55Å; M165-F210 HydrophobicContact CE-CG 4.31Å; M165-F210 HydrophobicContact CE-CZ 4.03Å; M165-F210 HydrophobicContact CG-CZ 4.44Å; L203-F210 HydrophobicContact CD1-CE1 4.31Å; L203-F210 HydrophobicContact CD1-CZ 4.07Å; Q204-F210 WeakPolarHBondContact CG-O 3.44Å; A208-F210 VanDerWaalsContact C-N 3.3Å; A208-F210 WeakPolarHBondContact CB-O 3.38Å; A208-F210 PolarHBondContact O-N 3.46Å; F210-G212 PolarHBondContact O-N 2.91Å
211G98.3Very high96.1Very high4 Ų455.5 Ų55.54%0.04131%0.311CS..THydrogen-bonded Turntrans71.513.2176.700000114.1P202 L203 Q204P202-G211 WeakPolarHBondContact CB-O 3.06Å; L203-G211 PolarHBondContact N-O 3.36Å; Q204-G211 PolarHBondContact N-O 3.2Å
212G98Very high96Very high11 Ų1157.1 Ų57.111%0.11332%0.323CS..  trans-97.7-161.6173.700000112.7W201 G205 A208 F210W201-G212 WeakPolarHBondContact CZ2-O 3.49Å; W201-G212 PolarHBondContact NE1-O 3.18Å; G205-G212 WeakPolarHBondContact O-CA 3.44Å; A208-G212 WeakPolarHBondContact O-CA 3.3Å; F210-G212 PolarHBondContact O-N 2.91Å
213G97.6Very high95.8Very high27 Ų2760.4 Ų60.428%0.27834%0.341SS..SBendtrans69.9173.7-173.900000113.7W201 W206W201-G213 VanDerWaalsContact CD1-O 3.29Å; W201-G213 PolarHBondContact NE1-O 2.82Å; W206-G213 PolarHBondContact O-N 3.18Å
214D96.6Very high95.7Very high103 Ų10364.5 Ų64.555%0.55136%0.364SS*.SBendtrans-84.9-18.7-174.8-54.7-42.2000112.6R35 W206R35-D214 IonicContact NH1-OD1 3.07Å; R35-D214 PolarHBondContact NH1-OD1 3.37Å; R35-D214 IonicContact NH1-OD2 3.96Å; R35-D214 PolarHBondContact NH1-OD2 3.04Å; W206-D214 VanDerWaalsContact CD1-OD1 3.24Å
215T95.4Very high95.5Very high106 Ų10668.9 Ų68.965%0.6539%0.39SS*.SBendtrans-138.4151.7178.559.70000111.3W201W201-T215 VanDerWaalsContact CD1-C 3.47Å; W201-T215 VanDerWaalsContact NE1-C 3.28Å; W201-T215 PolarHBondContact NE1-O 3.38Å
216P94.7Very high95.3Very high49 Ų4973 Ų7332%0.31841%0.407SS..  trans-54.5146.8171.6-21.330.8000111.9Y164 W201Y164-P216 HydrophobicContact CE1-CB 4.33Å; W201-P216 HydrophobicContact CB-CG 4.17Å; W201-P216 HydrophobicContact CD2-CB 4.13Å; W201-P216 HydrophobicContact CD2-CG 3.72Å; W201-P216 HydrophobicContact CE3-CB 3.98Å; W201-P216 HydrophobicContact CE3-CG 3.72Å; W201-P216 HydrophobicContact CG-CG 3.92Å; W201-P216 HydrophobicContact CH2-CB 4.38Å; W201-P216 HydrophobicContact CZ3-CB 4.1Å; W201-P216 HydrophobicContact CZ3-CG 4.34Å
217P90.1Very high95Very high105 Ų10576.7 Ų76.768%0.68243%0.432SS*.  trans-59.9148.5170.127.1-33.2000110.1
218K78.7Confident94.9Very high285 Ų28572.5 Ų72.5100%1.23941%0.411SS*.  trans-73.80177.6-70.9-174.6179.5179.50112

Retrieved 218 of 218 residues in 172.7 ms (Link to these results)

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