A0A087YCW2_POEFO Loading...

Glutathione S-transferase omega

Exhibits glutathione-dependent thiol transferase activity. Has high dehydroascorbate reductase activity and may contribute to the recycling of ascorbic acid. Participates in the biotransformation of inorganic arsenic and reduces monomethylarsonic acid (MMA).

AlphaFold DB , UniProt , Accession A0A087YCW2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 239 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
1M59.2Low88.3Confident103 Ų10366.3 Ų66.351%0.50741%0.409SS..  0147.30-73.1-170.4-87.800109.1S3 M215 F216M1-S3 PolarHBondContact O-N 2.8Å; M1-M215 WeakPolarHBondContact CE-O 3.29Å; M1-F216 HydrophobicContact CE-CD1 3.73Å; M1-F216 HydrophobicContact CE-CD2 4.29Å; M1-F216 HydrophobicContact CE-CE1 3.48Å; M1-F216 VanDerWaalsContact CE-CE1 3.48Å; M1-F216 HydrophobicContact CE-CE2 4.06Å; M1-F216 HydrophobicContact CE-CG 4.15Å; M1-F216 HydrophobicContact CE-CZ 3.67Å; M1-F216 HydrophobicContact SD-CD1 4.34Å; M1-F216 HydrophobicContact SD-CD2 4.09Å; M1-F216 HydrophobicContact SD-CE1 3.71Å; M1-F216 HydrophobicContact SD-CE2 3.4Å; M1-F216 WeakPolarHBondContact SD-CE2 3.45Å; M1-F216 HydrophobicContact SD-CZ 3.2Å; M1-F216 WeakPolarHBondContact SD-CZ 3.46Å
2S69.4Low89Confident29 Ų2969.2 Ų69.220%0.20343%0.43CS..  trans-59.9133178.7168.60000111E4S2-E4 VanDerWaalsContact C-N 3.32Å; S2-E4 PolarHBondContact OG-N 3.06Å; S2-E4 VanDerWaalsContact OG-N 3.16Å
3S77.4Confident89.7Confident99 Ų9968.7 Ų68.769%0.69244%0.437SS*.  trans-91.25.4174.855.60000112.7M1M1-S3 PolarHBondContact O-N 2.8Å
4E87.1Confident90.1Very high108 Ų10865.8 Ų65.851%0.50542%0.418SS..SBendtrans-89.5142.6-178.4-61.9-175.6163.300111.5S2 N51 L239S2-E4 VanDerWaalsContact C-N 3.32Å; S2-E4 PolarHBondContact OG-N 3.06Å; S2-E4 VanDerWaalsContact OG-N 3.16Å; E4-N51 PolarHBondContact O-ND2 2.98Å; E4-L239 WeakPolarHBondContact O-CD1 3.5Å
5K94.3Very high90.5Very high140 Ų14064.5 Ų64.561%0.60942%0.423SS*.PPolyproline II helixtrans-62.5153.5173.5-69.9-174.2177.3-179.20111.1D236K5-D236 WeakPolarHBondContact CA-OD1 3.38Å
6S96.8Very high90.9Very high15 Ų1568.4 Ų68.411%0.10545%0.448CS..PPolyproline II helixtrans-66.4137176.665.40000111.7N51 D236S6-N51 CarbonylContact C-O 3.57Å; S6-N51 VanDerWaalsContact CA-O 3.29Å; S6-N51 WeakPolarHBondContact CA-O 3.42Å; S6-D236 WeakPolarHBondContact CB-OD1 3.49Å; S6-D236 PolarHBondContact N-OD1 3.39Å; S6-D236 PolarHBondContact N-OD2 3.45Å; S6-D236 PolarHBondContact OG-OD1 2.86Å; S6-D236 PolarHBondContact OG-OD2 3.47Å
7F98Very high91.3Very high46 Ų4665.1 Ų65.120%0.20243%0.426CS..BIsolated β-bridgetrans-76.6127172.5-74.9-113.9000108.5I50 N51 I52 H53 P58 W60F7-I50 HydrophobicContact CD2-CG2 3.63Å; F7-I50 HydrophobicContact CE2-CG2 3.93Å; F7-I50 HydrophobicContact CG-CG2 4.09Å; F7-N51 PolarHBondContact N-O 3.27Å; F7-I52 HydrophobicContact CB-CD1 4.41Å; F7-H53 WeakPolarHBondContact O-CB 2.92Å; F7-H53 PolarHBondContact O-N 3.42Å; F7-P58 HydrophobicContact CB-CG 3.95Å; F7-P58 WeakPolarHBondContact O-CD 3.44Å; F7-P58 WeakPolarHBondContact O-CG 3.4Å; F7-W60 HydrophobicContact CB-CZ2 3.92Å; F7-W60 AromaticContact CD1-CZ2 3.83Å; F7-W60 HydrophobicContact CD1-CZ2 3.83Å; F7-W60 HydrophobicContact CG-CZ2 4.12Å
8A97.4Very high91.6Very high19 Ų1964.1 Ų64.116%0.15742%0.419CS..  trans-118.3177.1179.500000111.9G10 S11 H53 Q56A8-G10 PolarHBondContact O-N 3.09Å; A8-S11 PolarHBondContact N-OG 3.17Å; A8-S11 WeakPolarHBondContact O-CB 3.34Å; A8-S11 PolarHBondContact O-N 3.16Å; A8-S11 PolarHBondContact O-OG 3.29Å; A8-H53 HydrophobicContact CB-CB 3.73Å; A8-Q56 CarbonylContact C-O 3.53Å; A8-Q56 WeakPolarHBondContact CA-O 3.28Å; A8-Q56 HydrophobicContact CB-CB 4.38Å
9A97.3Very high91.7Very high57 Ų5771.4 Ų71.447%0.47144%0.443SS..THydrogen-bonded Turntrans-46.5131.5172.400000111.3S11 Q56A9-S11 VanDerWaalsContact C-N 3.29Å; A9-S11 PolarHBondContact O-N 3.36Å; A9-Q56 HydrophobicContact CB-CB 4.3Å; A9-Q56 PolarHBondContact N-O 3.16Å
10G96.8Very high91.9Very high78 Ų7872.2 Ų72.280%0.80444%0.444SS*.THydrogen-bonded Turntrans81.5-7.4-174.800000115.9A8A8-G10 PolarHBondContact O-N 3.09Å
11S97.4Very high92.1Very high35 Ų3571.1 Ų71.125%0.24543%0.434CS..PPolyproline II helixtrans-68.5138.7172.6-55.30000110.3A8 A9 W60A8-S11 PolarHBondContact N-OG 3.17Å; A8-S11 WeakPolarHBondContact O-CB 3.34Å; A8-S11 PolarHBondContact O-N 3.16Å; A8-S11 PolarHBondContact O-OG 3.29Å; A9-S11 VanDerWaalsContact C-N 3.29Å; A9-S11 PolarHBondContact O-N 3.36Å; S11-W60 PolarHBondContact O-NE1 2.92Å
12P97.2Very high93.9Very high101 Ų10166.3 Ų66.366%0.65641%0.411SS*.PPolyproline II helixtrans-62.5147.3178.627.8-34.8000110.8
13A97.1Very high95.3Very high63 Ų6365.2 Ų65.252%0.52140%0.402SS..PPolyproline II helixtrans-62140.617200000109.7W60A13-W60 HydrophobicContact CB-CB 4.02Å; A13-W60 HydrophobicContact CB-CD2 4.1Å; A13-W60 HydrophobicContact CB-CG 3.72Å
14P96.3Very high96.3Very high28 Ų2860.5 Ų60.518%0.18237%0.369CS..PPolyproline II helixtrans-64.3155.4172.831.1-38.7000110.9Y25 I50 W60P14-Y25 HydrophobicContact CG-CE1 4.44Å; P14-I50 HydrophobicContact CB-CD1 3.29Å; P14-I50 HydrophobicContact CG-CD1 3.42Å; P14-I50 VanDerWaalsContact CG-CD1 3.42Å; P14-W60 HydrophobicContact CG-CH2 4.25Å; P14-W60 HydrophobicContact CG-CZ3 4.26Å
15G96.1Very high96.9Very high47 Ų4755.4 Ų55.449%0.48535%0.345SS..  trans-64179.8174.100000112.9R23G15-R23 VanDerWaalsContact O-CZ 3.22Å; G15-R23 PolarHBondContact O-NH1 3.16Å; G15-R23 PolarHBondContact O-NH2 3.07Å
16P95.9Very high97.1Very high126 Ų12648.7 Ų48.782%0.81832%0.316SS*.PPolyproline II helixtrans-56.1148.6175.7-23.433.8000112.5
17V97.8Very high97.1Very high13 Ų1348.6 Ų48.68%0.07931%0.314CS..PPolyproline II helixtrans-65.4129.8175.1-177.60000109.4Q21 R23 E74 P76V17-Q21 WeakPolarHBondContact CG1-O 3.49Å; V17-R23 HydrophobicContact CG1-CB 4.11Å; V17-R23 HydrophobicContact CG2-CB 3.65Å; V17-E74 HydrophobicContact CG2-CB 4.18Å; V17-E74 HydrophobicContact CG2-CG 3.73Å; V17-P76 HydrophobicContact CG1-CG 4.28Å
18P96.4Very high97Very high46 Ų4647.2 Ų47.230%0.29931%0.308SS..PPolyproline II helixtrans-57.3142.6177.3-25.134.1000112.5D20 Q21 E48 P76P18-D20 PolarHBondContact O-N 3.48Å; P18-Q21 HydrophobicContact CB-CB 4.32Å; P18-Q21 HydrophobicContact CB-CG 4.14Å; P18-Q21 PolarHBondContact O-N 3.05Å; P18-Q21 VanDerWaalsContact O-N 3.07Å; P18-E48 VanDerWaalsContact CD-OE1 3.29Å; P18-E48 WeakPolarHBondContact CD-OE1 3.46Å; P18-P76 WeakPolarHBondContact O-CG 3.38Å
19K94.9Very high97Very high203 Ų20346.3 Ų46.388%0.88330%0.3SS*.THydrogen-bonded Turntrans-57.3-27.2-173.3-70.9-173.4178.1-178.50115.1
20D94.3Very high97Very high87 Ų8744.1 Ų44.147%0.46528%0.281SS..THydrogen-bonded Turntrans-102.514-177.274.3-41.8000113.7P18 K46P18-D20 PolarHBondContact O-N 3.48Å; D20-K46 WeakPolarHBondContact OD2-CD 3.45Å; D20-K46 IonicContact OD2-NZ 2.8Å; D20-K46 PolarHBondContact OD2-NZ 3.41Å
21Q96.3Very high97Very high51 Ų5140.8 Ų40.824%0.23825%0.245CC..  trans-137.3161.1-174.9-52.2-171.421.700112.3V17 P18 K46 P76V17-Q21 WeakPolarHBondContact CG1-O 3.49Å; P18-Q21 HydrophobicContact CB-CB 4.32Å; P18-Q21 HydrophobicContact CB-CG 4.14Å; P18-Q21 PolarHBondContact O-N 3.05Å; P18-Q21 VanDerWaalsContact O-N 3.07Å; Q21-K46 WeakPolarHBondContact CA-O 3.22Å; Q21-K46 HydrophobicContact CG-CB 3.98Å; Q21-P76 WeakPolarHBondContact O-CD 3.2Å; Q21-P76 WeakPolarHBondContact O-CG 3.27Å
22V97.9Very high97.1Very high2 Ų242.5 Ų42.51%0.01225%0.249CC..EExtended strand (participates in β ladder)trans-105.3153.3160-66.10000109.8L40 I45 K46 F47 E48 I73 L91 Y95V22-L40 HydrophobicContact CG2-CD2 3.68Å; V22-I45 HydrophobicContact CG2-CG2 3.9Å; V22-K46 PolarHBondContact N-O 3.44Å; V22-K46 VanDerWaalsContact N-O 3.16Å; V22-F47 HydrophobicContact CG2-CB 3.8Å; V22-F47 WeakPolarHBondContact O-CA 3.42Å; V22-F47 WeakPolarHBondContact O-CB 3.26Å; V22-E48 PolarHBondContact O-N 2.97Å; V22-E48 VanDerWaalsContact O-N 3.09Å; V22-I73 HydrophobicContact CB-CG2 4.34Å; V22-L91 HydrophobicContact CG2-CD2 4.19Å; V22-Y95 HydrophobicContact CG1-CE2 4.36Å; V22-Y95 WeakPolarHBondContact CG1-OH 3.37Å
23R98.5Very high97.1Very high6 Ų637.7 Ų37.72%0.02322%0.217CC..EExtended strand (participates in β ladder)trans-100.2129.3172.2173.8174.3-69.6163.91.2110.2G15 V17 Y25 E48 I50 I73 E74G15-R23 VanDerWaalsContact O-CZ 3.22Å; G15-R23 PolarHBondContact O-NH1 3.16Å; G15-R23 PolarHBondContact O-NH2 3.07Å; V17-R23 HydrophobicContact CG1-CB 4.11Å; V17-R23 HydrophobicContact CG2-CB 3.65Å; R23-Y25 VanDerWaalsContact CD-OH 3.26Å; R23-Y25 WeakPolarHBondContact CD-OH 3.1Å; R23-Y25 HydrophobicContact CG-CE1 4.31Å; R23-Y25 HydrophobicContact CG-CE2 4.18Å; R23-E48 HydrophobicContact CB-CG 3.9Å; R23-E48 HydrophobicContact CG-CG 4.01Å; R23-E48 IonicContact CZ-OE1 3.87Å; R23-E48 VanDerWaalsContact NE-CD 3.32Å; R23-E48 IonicContact NE-OE1 2.8Å; R23-E48 PolarHBondContact NE-OE1 3.4Å; R23-E48 IonicContact NE-OE2 3.68Å; R23-E48 IonicContact NH2-OE1 3.94Å; R23-E48 PolarHBondContact NH2-OE1 2.88Å; R23-E48 IonicContact NH2-OE2 3.23Å; R23-E48 PolarHBondContact NH2-OE2 3.14Å; R23-I50 HydrophobicContact CG-CD1 4.28Å; R23-I50 HydrophobicContact CG-CG1 4.28Å; R23-I73 CarbonylContact O-C 3.56Å; R23-I73 VanDerWaalsContact O-CA 3.32Å; R23-I73 WeakPolarHBondContact O-CA 3.34Å; R23-E74 HydrophobicContact CB-CB 4.29Å; R23-E74 PolarHBondContact N-O 3.01Å; R23-E74 IonicContact NH1-OE2 3.47Å; R23-E74 PolarHBondContact O-N 2.85Å
24L98.7Very high97.2Very high0 Ų034.7 Ų34.70%019%0.192CC..EExtended strand (participates in β ladder)trans-102.9113.9170175.168.1000109.9T36 R37 L40 F47 E48 T49 I50 P71 I73L24-T36 HydrophobicContact CD1-CG2 3.82Å; L24-R37 HydrophobicContact CD2-CG 3.46Å; L24-R37 VanDerWaalsContact CD2-CG 3.46Å; L24-L40 HydrophobicContact CB-CD1 4.16Å; L24-L40 HydrophobicContact CD2-CD1 3.95Å; L24-L40 HydrophobicContact CG-CD1 4.48Å; L24-F47 HydrophobicContact CB-CD2 4.42Å; L24-E48 PolarHBondContact N-O 2.92Å; L24-T49 CarbonylContact O-C 3.09Å; L24-T49 WeakPolarHBondContact O-CA 3.43Å; L24-I50 PolarHBondContact O-N 3.17Å; L24-P71 HydrophobicContact CD1-CB 3.76Å; L24-I73 HydrophobicContact CB-CD1 4.1Å; L24-I73 HydrophobicContact CD1-CD1 3.81Å
25Y98.7Very high97.3Very high0 Ų034 Ų340%019%0.186CC..EExtended strand (participates in β ladder)trans-78.1118.7160.4-59.6-73.5000109.1P14 R23 I50 I52 W60 F61 K64 P71 T72 E74P14-Y25 HydrophobicContact CG-CE1 4.44Å; R23-Y25 VanDerWaalsContact CD-OH 3.26Å; R23-Y25 WeakPolarHBondContact CD-OH 3.1Å; R23-Y25 HydrophobicContact CG-CE1 4.31Å; R23-Y25 HydrophobicContact CG-CE2 4.18Å; Y25-I50 CarbonylContact C-O 3.29Å; Y25-I50 WeakPolarHBondContact CA-O 3.38Å; Y25-I50 HydrophobicContact CD1-CB 3.87Å; Y25-I50 HydrophobicContact CD1-CG2 4Å; Y25-I50 HydrophobicContact CE1-CB 4.11Å; Y25-I50 HydrophobicContact CE1-CD1 4.12Å; Y25-I50 HydrophobicContact CE1-CG2 4.15Å; Y25-I52 HydrophobicContact CD1-CD1 4.01Å; Y25-I52 HydrophobicContact CD1-CG1 4.36Å; Y25-W60 HydrophobicContact CD1-CH2 4.26Å; Y25-W60 HydrophobicContact CD1-CZ3 4.08Å; Y25-W60 AromaticContact CE1-CH2 3.79Å; Y25-W60 HydrophobicContact CE1-CH2 3.79Å; Y25-W60 AromaticContact CE1-CZ3 3.39Å; Y25-W60 HydrophobicContact CE1-CZ3 3.39Å; Y25-F61 HydrophobicContact CD1-CD2 4.02Å; Y25-F61 HydrophobicContact CD1-CE2 4.19Å; Y25-F61 HydrophobicContact CD2-CD2 4.4Å; Y25-F61 HydrophobicContact CD2-CE2 4.11Å; Y25-F61 AromaticContact CG-CD2 3.95Å; Y25-F61 HydrophobicContact CG-CD2 3.95Å; Y25-F61 AromaticContact CG-CE2 3.68Å; Y25-F61 HydrophobicContact CG-CE2 3.68Å; Y25-K64 HydrophobicContact CE2-CD 3.9Å; Y25-K64 WeakPolarHBondContact OH-CD 3.12Å; Y25-K64 VanDerWaalsContact OH-CE 3.31Å; Y25-K64 WeakPolarHBondContact OH-CE 3.06Å; Y25-P71 WeakPolarHBondContact O-CA 3.37Å; Y25-T72 HydrophobicContact CD2-CG2 4.07Å; Y25-T72 PolarHBondContact N-O 3.39Å; Y25-T72 PolarHBondContact O-N 2.76Å; Y25-T72 VanDerWaalsContact O-N 3.14Å; Y25-E74 HydrophobicContact CE2-CB 3.87Å; Y25-E74 WeakPolarHBondContact CE2-OE2 3.33Å; Y25-E74 PolarHBondContact OH-OE2 3.1Å
26S98.5Very high97.4Very high0 Ų031.7 Ų31.70%016%0.163CC..EExtended strand (participates in β ladder)trans-133.9178.3-168.2-161.90000112A33 I50 N51 I52S26-A33 WeakPolarHBondContact OG-CB 3.38Å; S26-I50 PolarHBondContact N-O 3.36Å; S26-N51 CarbonylContact O-C 3.6Å; S26-N51 WeakPolarHBondContact O-CA 3.29Å; S26-I52 PolarHBondContact O-N 3.38Å
27M97.7Very high97.6Very high13 Ų1326.3 Ų26.36%0.06413%0.126CC..  trans-142.8131.1157.3179.9-78.9-82.100106.6F29 C30 L54 V70 F224 Y235M27-F29 HydrophobicContact CE-CB 4.21Å; M27-F29 PolarHBondContact O-N 3.17Å; M27-F29 VanDerWaalsContact O-N 3.09Å; M27-F29 HydrophobicContact SD-CB 3.72Å; M27-F29 HydrophobicContact SD-CD2 4.03Å; M27-F29 HydrophobicContact SD-CG 4.34Å; M27-F29 PolarHBondContact SD-N 3.09Å; M27-C30 HydrophobicContact CB-CB 4.08Å; M27-C30 HydrophobicContact CE-CB 3.74Å; M27-C30 VanDerWaalsContact O-CB 3.31Å; M27-C30 WeakPolarHBondContact O-CB 3.4Å; M27-C30 PolarHBondContact O-N 2.92Å; M27-C30 HydrophobicContact SD-CB 4.3Å; M27-C30 PolarHBondContact SD-N 2.89Å; M27-C30 VanDerWaalsContact SD-N 3.45Å; M27-L54 HydrophobicContact CB-CD1 3.88Å; M27-L54 HydrophobicContact CB-CD2 4.26Å; M27-L54 HydrophobicContact CB-CG 4.09Å; M27-L54 HydrophobicContact CE-CD1 3.68Å; M27-L54 HydrophobicContact CG-CD1 3.82Å; M27-L54 HydrophobicContact CG-CG 4.01Å; M27-V70 HydrophobicContact CB-CG2 3.91Å; M27-F224 HydrophobicContact CE-CE1 4.37Å; M27-F224 HydrophobicContact CE-CZ 3.93Å; M27-F224 HydrophobicContact SD-CZ 4.23Å; M27-Y235 HydrophobicContact CE-CD1 4.15Å; M27-Y235 HydrophobicContact CE-CE1 4.16Å; M27-Y235 HydrophobicContact CG-CD1 3.59Å; M27-Y235 HydrophobicContact CG-CE1 4.22Å; M27-Y235 HydrophobicContact CG-CG 4.33Å; M27-Y235 HydrophobicContact SD-CD1 3.83Å; M27-Y235 HydrophobicContact SD-CE1 4.43Å
28R96.5Very high97.6Very high17 Ų1725.7 Ų25.76%0.06412%0.123CC..THydrogen-bonded Turntrans-48.4-44.1-168.5-70.717064.8-139.81.7113.5R37 F216 D236 F237R28-R37 PolarHBondContact O-NH1 2.96Å; R28-R37 PolarHBondContact O-NH2 2.8Å; R28-F216 HydrophobicContact CB-CE2 4.14Å; R28-F216 HydrophobicContact CB-CZ 3.99Å; R28-F216 WeakPolarHBondContact O-CE2 3.03Å; R28-D236 PolarHBondContact NH1-O 3.39Å; R28-F237 VanDerWaalsContact CZ-O 3.24Å; R28-F237 PolarHBondContact NH1-O 2.88Å; R28-F237 PolarHBondContact NH2-O 3.45Å
29F96.4Very high97.7Very high0 Ų023.5 Ų23.50%011%0.108CC..THydrogen-bonded Turntrans-93.2-2.8-175.9-50.2-70.4000114.2M27 P31 R182 F216 T220 Y221 F224 Y235 F237M27-F29 HydrophobicContact CE-CB 4.21Å; M27-F29 PolarHBondContact O-N 3.17Å; M27-F29 VanDerWaalsContact O-N 3.09Å; M27-F29 HydrophobicContact SD-CB 3.72Å; M27-F29 HydrophobicContact SD-CD2 4.03Å; M27-F29 HydrophobicContact SD-CG 4.34Å; M27-F29 PolarHBondContact SD-N 3.09Å; F29-P31 WeakPolarHBondContact O-CD 3.26Å; F29-R182 PolarHBondContact O-NH2 3.42Å; F29-F216 AromaticContact CD1-CD2 3.92Å; F29-F216 HydrophobicContact CD1-CD2 3.92Å; F29-F216 AromaticContact CD1-CE2 3.94Å; F29-F216 HydrophobicContact CD1-CE2 3.94Å; F29-F216 HydrophobicContact CD1-CG 4.49Å; F29-F216 HydrophobicContact CE1-CD1 4.34Å; F29-F216 AromaticContact CE1-CD2 3.96Å; F29-F216 HydrophobicContact CE1-CD2 3.96Å; F29-F216 HydrophobicContact CE1-CE1 4.28Å; F29-F216 AromaticContact CE1-CE2 3.89Å; F29-F216 HydrophobicContact CE1-CE2 3.89Å; F29-F216 HydrophobicContact CE1-CG 4.17Å; F29-F216 HydrophobicContact CE1-CZ 4.04Å; F29-T220 HydrophobicContact CE1-CG2 3.77Å; F29-T220 HydrophobicContact CZ-CG2 4.37Å; F29-Y221 HydrophobicContact CD1-CD1 4.14Å; F29-Y221 HydrophobicContact CD1-CE1 4.11Å; F29-F224 HydrophobicContact CB-CD1 3.4Å; F29-F224 VanDerWaalsContact CB-CD1 3.4Å; F29-F224 HydrophobicContact CB-CD2 4.41Å; F29-F224 HydrophobicContact CB-CE1 3.43Å; F29-F224 VanDerWaalsContact CB-CE1 3.43Å; F29-F224 HydrophobicContact CB-CE2 4.44Å; F29-F224 HydrophobicContact CB-CG 3.92Å; F29-F224 HydrophobicContact CB-CZ 3.97Å; F29-F224 HydrophobicContact CD1-CB 4.08Å; F29-F224 HydrophobicContact CD1-CD1 4.27Å; F29-F224 HydrophobicContact CD1-CG 4.12Å; F29-F224 HydrophobicContact CD2-CB 3.96Å; F29-F224 AromaticContact CD2-CD1 3.8Å; F29-F224 HydrophobicContact CD2-CD1 3.8Å; F29-F224 AromaticContact CD2-CD2 3.25Å; F29-F224 HydrophobicContact CD2-CD2 3.25Å; F29-F224 HydrophobicContact CD2-CE1 4.1Å; F29-F224 AromaticContact CD2-CE2 3.59Å; F29-F224 HydrophobicContact CD2-CE2 3.59Å; F29-F224 AromaticContact CD2-CG 3.36Å; F29-F224 HydrophobicContact CD2-CG 3.36Å; F29-F224 AromaticContact CD2-CZ 3.99Å; F29-F224 HydrophobicContact CD2-CZ 3.99Å; F29-F224 HydrophobicContact CE1-CB 4.19Å; F29-F224 HydrophobicContact CE2-CB 4.04Å; F29-F224 AromaticContact CE2-CD2 3.63Å; F29-F224 HydrophobicContact CE2-CD2 3.63Å; F29-F224 HydrophobicContact CE2-CE2 4.27Å; F29-F224 AromaticContact CE2-CG 3.86Å; F29-F224 HydrophobicContact CE2-CG 3.86Å; F29-F224 HydrophobicContact CG-CB 3.97Å; F29-F224 AromaticContact CG-CD1 3.54Å; F29-F224 HydrophobicContact CG-CD1 3.54Å; F29-F224 AromaticContact CG-CD2 3.91Å; F29-F224 HydrophobicContact CG-CD2 3.91Å; F29-F224 AromaticContact CG-CE1 3.97Å; F29-F224 HydrophobicContact CG-CE1 3.97Å; F29-F224 HydrophobicContact CG-CE2 4.3Å; F29-F224 AromaticContact CG-CG 3.5Å; F29-F224 HydrophobicContact CG-CG 3.5Å; F29-F224 VanDerWaalsContact CG-CG 3.5Å; F29-F224 HydrophobicContact CG-CZ 4.32Å; F29-F224 HydrophobicContact CZ-CB 4.16Å; F29-F224 HydrophobicContact CZ-CG 4.43Å; F29-Y235 WeakPolarHBondContact CE2-O 3.34Å; F29-F237 HydrophobicContact CE2-CB 4.26Å; F29-F237 HydrophobicContact CZ-CB 4.05Å
30C97.2Very high97.9Very high10 Ų1013.8 Ų13.87%0.0687%0.066CC..  trans-69.7120.1-178.2-177.80000111.3M27 F32 A33 Q34 V70M27-C30 HydrophobicContact CB-CB 4.08Å; M27-C30 HydrophobicContact CE-CB 3.74Å; M27-C30 VanDerWaalsContact O-CB 3.31Å; M27-C30 WeakPolarHBondContact O-CB 3.4Å; M27-C30 PolarHBondContact O-N 2.92Å; M27-C30 HydrophobicContact SD-CB 4.3Å; M27-C30 PolarHBondContact SD-N 2.89Å; M27-C30 VanDerWaalsContact SD-N 3.45Å; C30-F32 VanDerWaalsContact C-N 3.33Å; C30-F32 PolarHBondContact O-N 2.7Å; C30-A33 HydrophobicContact CB-CB 3.86Å; C30-A33 PolarHBondContact O-N 2.73Å; C30-A33 PolarHBondContact SG-N 2.82Å; C30-A33 VanDerWaalsContact SG-N 3.38Å; C30-Q34 PolarHBondContact O-N 2.76Å; C30-V70 HydrophobicContact CB-CG2 4.21Å
31P97.4Very high98.1Very high8 Ų812.7 Ų12.75%0.0526%0.058CC..Hα-helixtrans-67.7-33.8177.426.4-33.1000112.1F29 Q34 R35 F126 P178 F179F29-P31 WeakPolarHBondContact O-CD 3.26Å; P31-Q34 WeakPolarHBondContact O-CB 3.38Å; P31-Q34 PolarHBondContact O-N 2.82Å; P31-R35 PolarHBondContact O-N 3.23Å; P31-F126 HydrophobicContact CG-CZ 4.49Å; P31-P178 HydrophobicContact CB-CB 3.68Å; P31-P178 WeakPolarHBondContact O-CB 3.49Å; P31-P178 WeakPolarHBondContact O-CG 3.3Å; P31-F179 HydrophobicContact CB-CD1 4.45Å; P31-F179 HydrophobicContact CB-CE1 4.01Å; P31-F179 HydrophobicContact CB-CE2 4.47Å; P31-F179 HydrophobicContact CB-CZ 4.03Å; P31-F179 HydrophobicContact CG-CE1 3.91Å; P31-F179 HydrophobicContact CG-CZ 4.14Å
32F98.4Very high98.2Very high71 Ų7110.5 Ų10.531%0.3115%0.048SC..Hα-helixtrans-66.6-43.1176.6-62.3-76.1000111.5C30 Q34 R35 S84 T122 F126 F179C30-F32 VanDerWaalsContact C-N 3.33Å; C30-F32 PolarHBondContact O-N 2.7Å; F32-Q34 VanDerWaalsContact C-N 3.27Å; F32-Q34 PolarHBondContact O-N 3.27Å; F32-R35 VanDerWaalsContact O-CB 3.32Å; F32-R35 WeakPolarHBondContact O-CB 3.4Å; F32-R35 PolarHBondContact O-N 2.86Å; F32-S84 WeakPolarHBondContact O-CB 3.47Å; F32-T122 HydrophobicContact CE1-CG2 4.45Å; F32-T122 HydrophobicContact CZ-CG2 3.97Å; F32-F126 HydrophobicContact CE2-CE2 4.48Å; F32-F179 HydrophobicContact CD1-CZ 4.11Å; F32-F179 HydrophobicContact CE1-CE2 4.43Å; F32-F179 AromaticContact CE1-CZ 3.68Å; F32-F179 HydrophobicContact CE1-CZ 3.68Å; F32-F179 HydrophobicContact CE2-CZ 4.26Å; F32-F179 HydrophobicContact CZ-CE1 4.31Å; F32-F179 AromaticContact CZ-CZ 3.77Å; F32-F179 HydrophobicContact CZ-CZ 3.77Å
33A98.6Very high98.1Very high0 Ų011.6 Ų11.60%05%0.053CC..Hα-helixtrans-71.8-23.3175.700000112.6S26 C30 R35 T36 R37 V70 P71S26-A33 WeakPolarHBondContact OG-CB 3.38Å; C30-A33 HydrophobicContact CB-CB 3.86Å; C30-A33 PolarHBondContact O-N 2.73Å; C30-A33 PolarHBondContact SG-N 2.82Å; C30-A33 VanDerWaalsContact SG-N 3.38Å; A33-R35 VanDerWaalsContact C-N 3.3Å; A33-R35 PolarHBondContact O-N 2.74Å; A33-T36 PolarHBondContact O-N 3.39Å; A33-R37 WeakPolarHBondContact O-CG 3.22Å; A33-R37 PolarHBondContact O-N 3.31Å; A33-R37 VanDerWaalsContact O-N 3.11Å; A33-V70 HydrophobicContact CB-CB 4.5Å; A33-V70 HydrophobicContact CB-CG2 4.36Å; A33-P71 HydrophobicContact CB-CB 3.96Å; A33-P71 HydrophobicContact CB-CG 4.43Å
34Q98.6Very high98Very high0 Ų014.3 Ų14.30%08%0.083CC..Hα-helixtrans-64.2-33.6171.4-166178.3-2.400112.2C30 P31 F32 T36 R37 L38 P178 E181 R182 T214C30-Q34 PolarHBondContact O-N 2.76Å; P31-Q34 WeakPolarHBondContact O-CB 3.38Å; P31-Q34 PolarHBondContact O-N 2.82Å; F32-Q34 VanDerWaalsContact C-N 3.27Å; F32-Q34 PolarHBondContact O-N 3.27Å; Q34-T36 VanDerWaalsContact C-N 3.34Å; Q34-T36 PolarHBondContact O-N 2.97Å; Q34-R37 PolarHBondContact O-N 3.39Å; Q34-L38 HydrophobicContact CG-CD1 4.23Å; Q34-L38 HydrophobicContact CG-CG 4.3Å; Q34-L38 VanDerWaalsContact O-CG 3.28Å; Q34-L38 WeakPolarHBondContact O-CG 3.23Å; Q34-L38 PolarHBondContact O-N 2.7Å; Q34-P178 HydrophobicContact CB-CB 4.08Å; Q34-P178 HydrophobicContact CB-CG 3.86Å; Q34-P178 HydrophobicContact CG-CB 4.44Å; Q34-P178 HydrophobicContact CG-CG 4.06Å; Q34-E181 PolarHBondContact NE2-OE1 3.37Å; Q34-E181 PolarHBondContact NE2-OE2 2.91Å; Q34-R182 VanDerWaalsContact OE1-NH2 3.09Å; Q34-T214 PolarHBondContact NE2-OG1 3.06Å
35R98.8Very high98Very high13 Ų1314.9 Ų14.95%0.0499%0.086CC..Hα-helixtrans-53.4-51.5173.4-65.8176.3164.9170.5-8.2111.6P31 F32 A33 L38 V39 S84 M175 P178P31-R35 PolarHBondContact O-N 3.23Å; F32-R35 VanDerWaalsContact O-CB 3.32Å; F32-R35 WeakPolarHBondContact O-CB 3.4Å; F32-R35 PolarHBondContact O-N 2.86Å; A33-R35 VanDerWaalsContact C-N 3.3Å; A33-R35 PolarHBondContact O-N 2.74Å; R35-L38 WeakPolarHBondContact O-CB 3.29Å; R35-L38 PolarHBondContact O-N 3.35Å; R35-V39 PolarHBondContact O-N 3.06Å; R35-V39 VanDerWaalsContact O-N 3.09Å; R35-S84 PolarHBondContact NH1-OG 3.38Å; R35-S84 VanDerWaalsContact NH1-OG 3.13Å; R35-M175 HydrophobicContact CB-CE 3.78Å; R35-M175 HydrophobicContact CB-SD 3.94Å; R35-M175 HydrophobicContact CG-CE 4.32Å; R35-M175 HydrophobicContact CG-SD 4.11Å; R35-M175 VanDerWaalsContact CZ-O 3.25Å; R35-M175 PolarHBondContact NE-O 3.37Å; R35-M175 PolarHBondContact NH2-O 2.96Å; R35-P178 HydrophobicContact CG-CG 4.06Å
36T98.8Very high97.9Very high0 Ų020.9 Ų20.90%011%0.112CC..Hα-helixtrans-66.7-39.1179.7-45.10000111.5L24 A33 Q34 L38 V39 L40 P71 I73 T87 L91L24-T36 HydrophobicContact CD1-CG2 3.82Å; A33-T36 PolarHBondContact O-N 3.39Å; Q34-T36 VanDerWaalsContact C-N 3.34Å; Q34-T36 PolarHBondContact O-N 2.97Å; T36-L38 PolarHBondContact O-N 3.31Å; T36-V39 PolarHBondContact O-N 2.75Å; T36-L40 HydrophobicContact CG2-CD1 4.23Å; T36-L40 VanDerWaalsContact O-CG 3.29Å; T36-L40 WeakPolarHBondContact O-CG 3.08Å; T36-L40 PolarHBondContact O-N 3.31Å; T36-P71 WeakPolarHBondContact OG1-CB 3.39Å; T36-P71 WeakPolarHBondContact OG1-CG 3.13Å; T36-I73 HydrophobicContact CG2-CD1 3.85Å; T36-I73 HydrophobicContact CG2-CG1 4.04Å; T36-T87 PolarHBondContact OG1-OG1 2.72Å; T36-L91 HydrophobicContact CG2-CD1 3.57Å
37R98.6Very high97.9Very high12 Ų1223 Ų235%0.04512%0.121CC..Hα-helixtrans-59.7-43.8173.2-72.4-176.7-75.2157.1-7.1112.3L24 R28 A33 Q34 V39 L40 H41 T214L24-R37 HydrophobicContact CD2-CG 3.46Å; L24-R37 VanDerWaalsContact CD2-CG 3.46Å; R28-R37 PolarHBondContact O-NH1 2.96Å; R28-R37 PolarHBondContact O-NH2 2.8Å; A33-R37 WeakPolarHBondContact O-CG 3.22Å; A33-R37 PolarHBondContact O-N 3.31Å; A33-R37 VanDerWaalsContact O-N 3.11Å; Q34-R37 PolarHBondContact O-N 3.39Å; R37-V39 VanDerWaalsContact C-N 3.34Å; R37-V39 PolarHBondContact O-N 2.73Å; R37-L40 PolarHBondContact O-N 2.68Å; R37-H41 WeakPolarHBondContact O-CB 3.22Å; R37-H41 PolarHBondContact O-CD2 3.33Å; R37-H41 PolarHBondContact O-N 3.01Å; R37-T214 HydrophobicContact CB-CG2 4.1Å
38L98.8Very high97.8Very high0 Ų024.8 Ų24.80%013%0.129CC..Hα-helixtrans-59.4-46.3176.5-71.5161.5000110.3Q34 R35 T36 H41 A42 Y174 W177 P178 T210 V211 T214Q34-L38 HydrophobicContact CG-CD1 4.23Å; Q34-L38 HydrophobicContact CG-CG 4.3Å; Q34-L38 VanDerWaalsContact O-CG 3.28Å; Q34-L38 WeakPolarHBondContact O-CG 3.23Å; Q34-L38 PolarHBondContact O-N 2.7Å; R35-L38 WeakPolarHBondContact O-CB 3.29Å; R35-L38 PolarHBondContact O-N 3.35Å; T36-L38 PolarHBondContact O-N 3.31Å; L38-H41 PolarHBondContact O-N 3.49Å; L38-A42 WeakPolarHBondContact O-CB 3.37Å; L38-A42 PolarHBondContact O-N 3.01Å; L38-Y174 HydrophobicContact CB-CD1 3.93Å; L38-Y174 HydrophobicContact CB-CG 3.97Å; L38-Y174 HydrophobicContact CD1-CD1 4.08Å; L38-Y174 HydrophobicContact CD1-CG 4.47Å; L38-Y174 WeakPolarHBondContact CD1-O 3.16Å; L38-Y174 HydrophobicContact CD2-CD1 3.91Å; L38-Y174 HydrophobicContact CD2-CE1 4.14Å; L38-Y174 HydrophobicContact CG-CD1 4.19Å; L38-W177 HydrophobicContact CD1-CB 4.44Å; L38-P178 HydrophobicContact CD1-CG 3.96Å; L38-T210 HydrophobicContact CB-CG2 4.32Å; L38-T210 HydrophobicContact CD2-CG2 3.82Å; L38-T210 VanDerWaalsContact O-CG2 3.26Å; L38-T210 WeakPolarHBondContact O-CG2 3.45Å; L38-V211 HydrophobicContact CD2-CG2 4.09Å; L38-T214 HydrophobicContact CD2-CG2 4.2Å; L38-T214 WeakPolarHBondContact CD2-OG1 3.48Å
39V98.7Very high97.9Very high0 Ų025 Ų250%013%0.133CC..Hα-helixtrans-62.4-47.7177.6172.20000112.1R35 T36 R37 H41 A42 K43 L91 L100 M175R35-V39 PolarHBondContact O-N 3.06Å; R35-V39 VanDerWaalsContact O-N 3.09Å; T36-V39 PolarHBondContact O-N 2.75Å; R37-V39 VanDerWaalsContact C-N 3.34Å; R37-V39 PolarHBondContact O-N 2.73Å; V39-H41 PolarHBondContact O-N 3.31Å; V39-A42 PolarHBondContact O-N 3.26Å; V39-K43 HydrophobicContact CG1-CD 3.68Å; V39-K43 HydrophobicContact CG1-CG 4.41Å; V39-K43 WeakPolarHBondContact O-CB 3.49Å; V39-K43 VanDerWaalsContact O-CG 3.32Å; V39-K43 WeakPolarHBondContact O-CG 3.42Å; V39-K43 PolarHBondContact O-N 3.29Å; V39-L91 HydrophobicContact CG1-CB 3.89Å; V39-L91 HydrophobicContact CG1-CD1 4.32Å; V39-L100 HydrophobicContact CB-CD1 4.2Å; V39-L100 HydrophobicContact CG1-CD1 3.98Å; V39-L100 HydrophobicContact CG2-CD1 3.85Å; V39-M175 HydrophobicContact CG2-CE 3.83Å
40L98.4Very high98Very high0 Ų025.2 Ų25.20%013%0.134CC..Hα-helixtrans-55.9-49.3177.7-72.1164.2000111.5V22 L24 T36 R37 G44 I45 F47 I73 L91V22-L40 HydrophobicContact CG2-CD2 3.68Å; L24-L40 HydrophobicContact CB-CD1 4.16Å; L24-L40 HydrophobicContact CD2-CD1 3.95Å; L24-L40 HydrophobicContact CG-CD1 4.48Å; T36-L40 HydrophobicContact CG2-CD1 4.23Å; T36-L40 VanDerWaalsContact O-CG 3.29Å; T36-L40 WeakPolarHBondContact O-CG 3.08Å; T36-L40 PolarHBondContact O-N 3.31Å; R37-L40 PolarHBondContact O-N 2.68Å; L40-G44 PolarHBondContact O-N 3.19Å; L40-G44 VanDerWaalsContact O-N 3.09Å; L40-I45 HydrophobicContact CD2-CB 3.91Å; L40-I45 HydrophobicContact CD2-CD1 4.17Å; L40-I45 HydrophobicContact CD2-CG2 3.71Å; L40-I45 PolarHBondContact O-N 3.35Å; L40-F47 HydrophobicContact CB-CD1 3.75Å; L40-F47 HydrophobicContact CB-CE1 3.66Å; L40-F47 HydrophobicContact CB-CG 4.32Å; L40-F47 HydrophobicContact CB-CZ 4.14Å; L40-F47 HydrophobicContact CD1-CB 4.33Å; L40-F47 HydrophobicContact CD1-CD1 4.12Å; L40-F47 HydrophobicContact CD1-CD2 3.78Å; L40-F47 HydrophobicContact CD1-CE1 4.39Å; L40-F47 HydrophobicContact CD1-CE2 4.04Å; L40-F47 HydrophobicContact CD1-CG 3.82Å; L40-F47 HydrophobicContact CD1-CZ 4.35Å; L40-F47 HydrophobicContact CD2-CB 4.19Å; L40-F47 HydrophobicContact CD2-CD1 4.19Å; L40-F47 HydrophobicContact CD2-CG 4.23Å; L40-F47 HydrophobicContact CG-CD1 4.24Å; L40-F47 HydrophobicContact CG-CG 4.35Å; L40-I73 HydrophobicContact CD1-CD1 4.45Å; L40-L91 HydrophobicContact CD1-CD1 4.46Å; L40-L91 HydrophobicContact CD2-CD1 3.61Å; L40-L91 HydrophobicContact CD2-CD2 3.86Å; L40-L91 HydrophobicContact CD2-CG 4.36Å; L40-L91 HydrophobicContact CG-CD1 3.74Å
41H98.1Very high98Very high64 Ų6425 Ų2530%0.29613%0.132SC..Hα-helixtrans-68.1-43.8178.9-80.3-66.3000112.8R37 L38 V39 K43 G44 F47 T210 T214R37-H41 WeakPolarHBondContact O-CB 3.22Å; R37-H41 PolarHBondContact O-CD2 3.33Å; R37-H41 PolarHBondContact O-N 3.01Å; L38-H41 PolarHBondContact O-N 3.49Å; V39-H41 PolarHBondContact O-N 3.31Å; H41-K43 PolarHBondContact O-N 3.2Å; H41-G44 PolarHBondContact O-N 2.8Å; H41-G44 VanDerWaalsContact O-N 3.16Å; H41-F47 AromaticContact CE1-CZ 3.83Å; H41-F47 AromaticContact NE2-CZ 3.58Å; H41-T210 HydrophobicContact CB-CG2 3.72Å; H41-T214 VanDerWaalsContact CD2-CG2 3.49Å; H41-T214 WeakPolarHBondContact CD2-CG2 3.32Å
42A98Very high98.1Very high4 Ų424.6 Ų24.63%0.03313%0.129CC..Hα-helixtrans-60.6-36.7-179.600000111.3L38 V39 K98 L100 Y174 T210L38-A42 WeakPolarHBondContact O-CB 3.37Å; L38-A42 PolarHBondContact O-N 3.01Å; V39-A42 PolarHBondContact O-N 3.26Å; A42-K98 VanDerWaalsContact O-CD 3.22Å; A42-K98 WeakPolarHBondContact O-CD 3.21Å; A42-K98 VanDerWaalsContact O-CE 3.23Å; A42-K98 WeakPolarHBondContact O-CE 3.5Å; A42-K98 PolarHBondContact O-NZ 3.49Å; A42-L100 HydrophobicContact CB-CD1 4.25Å; A42-L100 HydrophobicContact CB-CD2 4.18Å; A42-Y174 HydrophobicContact CB-CD2 4.36Å; A42-Y174 HydrophobicContact CB-CE2 3.51Å; A42-T210 HydrophobicContact CB-CG2 4.06Å
43K97.5Very high98Very high25 Ų2522.7 Ų22.711%0.10912%0.121CC..Hα-helixtrans-88.5-6.3-179.7-63.4179.169.280.30113.8V39 H41 I45 L91 D92 Y95 K98 L100V39-K43 HydrophobicContact CG1-CD 3.68Å; V39-K43 HydrophobicContact CG1-CG 4.41Å; V39-K43 WeakPolarHBondContact O-CB 3.49Å; V39-K43 VanDerWaalsContact O-CG 3.32Å; V39-K43 WeakPolarHBondContact O-CG 3.42Å; V39-K43 PolarHBondContact O-N 3.29Å; H41-K43 PolarHBondContact O-N 3.2Å; K43-I45 HydrophobicContact CB-CD1 3.83Å; K43-I45 HydrophobicContact CB-CG1 3.81Å; K43-I45 HydrophobicContact CD-CD1 3.97Å; K43-I45 PolarHBondContact O-N 3.25Å; K43-L91 WeakPolarHBondContact CE-O 3.47Å; K43-D92 PolarHBondContact NZ-O 3.12Å; K43-D92 IonicContact NZ-OD1 3.87Å; K43-D92 PolarHBondContact NZ-OD1 3.36Å; K43-Y95 WeakPolarHBondContact CE-O 3.39Å; K43-Y95 PolarHBondContact NZ-O 2.92Å; K43-K98 PolarHBondContact NZ-O 2.93Å; K43-L100 HydrophobicContact CD-CD1 4.2Å; K43-L100 HydrophobicContact CD-CG 4.49Å; K43-L100 HydrophobicContact CG-CD1 4.05Å; K43-L100 HydrophobicContact CG-CG 4.22Å
44G96.7Very high98Very high63 Ų6324.8 Ų24.865%0.64913%0.132SC*.THydrogen-bonded Turntrans6525.8-177.400000113.5L40 H41L40-G44 PolarHBondContact O-N 3.19Å; L40-G44 VanDerWaalsContact O-N 3.09Å; H41-G44 PolarHBondContact O-N 2.8Å; H41-G44 VanDerWaalsContact O-N 3.16Å
45I97.3Very high97.8Very high13 Ų1330.8 Ų30.87%0.06716%0.158CC..  trans-67.9137.5178.1-64166.9000107.8V22 L40 K43 F47 L91 Y95V22-I45 HydrophobicContact CG2-CG2 3.9Å; L40-I45 HydrophobicContact CD2-CB 3.91Å; L40-I45 HydrophobicContact CD2-CD1 4.17Å; L40-I45 HydrophobicContact CD2-CG2 3.71Å; L40-I45 PolarHBondContact O-N 3.35Å; K43-I45 HydrophobicContact CB-CD1 3.83Å; K43-I45 HydrophobicContact CB-CG1 3.81Å; K43-I45 HydrophobicContact CD-CD1 3.97Å; K43-I45 PolarHBondContact O-N 3.25Å; I45-F47 VanDerWaalsContact O-CD1 3.28Å; I45-F47 WeakPolarHBondContact O-CD1 3.24Å; I45-L91 HydrophobicContact CD1-CB 4.15Å; I45-L91 HydrophobicContact CD1-CD2 4.17Å; I45-Y95 HydrophobicContact CD1-CD1 4.46Å; I45-Y95 HydrophobicContact CD1-CD2 3.48Å; I45-Y95 VanDerWaalsContact CD1-CD2 3.48Å; I45-Y95 HydrophobicContact CD1-CE2 4.07Å; I45-Y95 HydrophobicContact CD1-CG 3.71Å; I45-Y95 HydrophobicContact CG1-CD1 4.06Å; I45-Y95 HydrophobicContact CG1-CD2 3.97Å; I45-Y95 HydrophobicContact CG1-CE1 4.5Å; I45-Y95 HydrophobicContact CG1-CE2 4.41Å; I45-Y95 HydrophobicContact CG1-CG 3.77Å; I45-Y95 HydrophobicContact CG2-CE1 4.26Å; I45-Y95 HydrophobicContact CG2-CE2 4.12Å
46K97.1Very high97.7Very high126 Ų12635.6 Ų35.655%0.54818%0.182SC..  trans-77.7130.2170.7-67.6177.2170.7179.20109.4D20 Q21 V22D20-K46 WeakPolarHBondContact OD2-CD 3.45Å; D20-K46 IonicContact OD2-NZ 2.8Å; D20-K46 PolarHBondContact OD2-NZ 3.41Å; Q21-K46 WeakPolarHBondContact CA-O 3.22Å; Q21-K46 HydrophobicContact CG-CB 3.98Å; V22-K46 PolarHBondContact N-O 3.44Å; V22-K46 VanDerWaalsContact N-O 3.16Å
47F97.6Very high97.7Very high43 Ų4338.2 Ų38.219%0.18919%0.193CC..EExtended strand (participates in β ladder)trans-151.8153.9179.967.3-78.6000111.9V22 L24 L40 H41 I45 T49V22-F47 HydrophobicContact CG2-CB 3.8Å; V22-F47 WeakPolarHBondContact O-CA 3.42Å; V22-F47 WeakPolarHBondContact O-CB 3.26Å; L24-F47 HydrophobicContact CB-CD2 4.42Å; L40-F47 HydrophobicContact CB-CD1 3.75Å; L40-F47 HydrophobicContact CB-CE1 3.66Å; L40-F47 HydrophobicContact CB-CG 4.32Å; L40-F47 HydrophobicContact CB-CZ 4.14Å; L40-F47 HydrophobicContact CD1-CB 4.33Å; L40-F47 HydrophobicContact CD1-CD1 4.12Å; L40-F47 HydrophobicContact CD1-CD2 3.78Å; L40-F47 HydrophobicContact CD1-CE1 4.39Å; L40-F47 HydrophobicContact CD1-CE2 4.04Å; L40-F47 HydrophobicContact CD1-CG 3.82Å; L40-F47 HydrophobicContact CD1-CZ 4.35Å; L40-F47 HydrophobicContact CD2-CB 4.19Å; L40-F47 HydrophobicContact CD2-CD1 4.19Å; L40-F47 HydrophobicContact CD2-CG 4.23Å; L40-F47 HydrophobicContact CG-CD1 4.24Å; L40-F47 HydrophobicContact CG-CG 4.35Å; H41-F47 AromaticContact CE1-CZ 3.83Å; H41-F47 AromaticContact NE2-CZ 3.58Å; I45-F47 VanDerWaalsContact O-CD1 3.28Å; I45-F47 WeakPolarHBondContact O-CD1 3.24Å; F47-T49 VanDerWaalsContact CE2-OG1 3.27Å; F47-T49 WeakPolarHBondContact CE2-OG1 3.22Å
48E97.3Very high97.6Very high51 Ų5137.7 Ų37.724%0.23819%0.191CC..EExtended strand (participates in β ladder)trans-101.8152163.166.2-175.8154.500110P18 V22 R23 L24P18-E48 VanDerWaalsContact CD-OE1 3.29Å; P18-E48 WeakPolarHBondContact CD-OE1 3.46Å; V22-E48 PolarHBondContact O-N 2.97Å; V22-E48 VanDerWaalsContact O-N 3.09Å; R23-E48 HydrophobicContact CB-CG 3.9Å; R23-E48 HydrophobicContact CG-CG 4.01Å; R23-E48 IonicContact CZ-OE1 3.87Å; R23-E48 VanDerWaalsContact NE-CD 3.32Å; R23-E48 IonicContact NE-OE1 2.8Å; R23-E48 PolarHBondContact NE-OE1 3.4Å; R23-E48 IonicContact NE-OE2 3.68Å; R23-E48 IonicContact NH2-OE1 3.94Å; R23-E48 PolarHBondContact NH2-OE1 2.88Å; R23-E48 IonicContact NH2-OE2 3.23Å; R23-E48 PolarHBondContact NH2-OE2 3.14Å; L24-E48 PolarHBondContact N-O 2.92Å
49T97.8Very high97.6Very high22 Ų2243.1 Ų43.114%0.13522%0.22CC..EExtended strand (participates in β ladder)trans-118.5122177.3-59.50000110.1L24 F47L24-T49 CarbonylContact O-C 3.09Å; L24-T49 WeakPolarHBondContact O-CA 3.43Å; F47-T49 VanDerWaalsContact CE2-OG1 3.27Å; F47-T49 WeakPolarHBondContact CE2-OG1 3.22Å
50I98.1Very high97.6Very high5 Ų544.5 Ų44.53%0.02623%0.225CC..EExtended strand (participates in β ladder)trans-106.5110.5171.1-60.2-165.1000108.3F7 P14 R23 L24 Y25 S26 I52 W60F7-I50 HydrophobicContact CD2-CG2 3.63Å; F7-I50 HydrophobicContact CE2-CG2 3.93Å; F7-I50 HydrophobicContact CG-CG2 4.09Å; P14-I50 HydrophobicContact CB-CD1 3.29Å; P14-I50 HydrophobicContact CG-CD1 3.42Å; P14-I50 VanDerWaalsContact CG-CD1 3.42Å; R23-I50 HydrophobicContact CG-CD1 4.28Å; R23-I50 HydrophobicContact CG-CG1 4.28Å; L24-I50 PolarHBondContact O-N 3.17Å; Y25-I50 CarbonylContact C-O 3.29Å; Y25-I50 WeakPolarHBondContact CA-O 3.38Å; Y25-I50 HydrophobicContact CD1-CB 3.87Å; Y25-I50 HydrophobicContact CD1-CG2 4Å; Y25-I50 HydrophobicContact CE1-CB 4.11Å; Y25-I50 HydrophobicContact CE1-CD1 4.12Å; Y25-I50 HydrophobicContact CE1-CG2 4.15Å; S26-I50 PolarHBondContact N-O 3.36Å; I50-I52 HydrophobicContact CG2-CD1 4.05Å; I50-W60 HydrophobicContact CG2-CH2 4.13Å
51N98.4Very high97.6Very high4 Ų444.5 Ų44.52%0.02123%0.225CC..EExtended strand (participates in β ladder)trans-76134.4175.9-68.4-51.9000109.7E4 S6 F7 S26E4-N51 PolarHBondContact O-ND2 2.98Å; S6-N51 CarbonylContact C-O 3.57Å; S6-N51 VanDerWaalsContact CA-O 3.29Å; S6-N51 WeakPolarHBondContact CA-O 3.42Å; F7-N51 PolarHBondContact N-O 3.27Å; S26-N51 CarbonylContact O-C 3.6Å; S26-N51 WeakPolarHBondContact O-CA 3.29Å
52I98.5Very high97.6Very high0 Ų044.4 Ų44.40%023%0.227CC..BIsolated β-bridgetrans-108.6132.6179.3-57.8-60.1000110.1F7 Y25 S26 I50 L54 K57 W60 F61 V70F7-I52 HydrophobicContact CB-CD1 4.41Å; Y25-I52 HydrophobicContact CD1-CD1 4.01Å; Y25-I52 HydrophobicContact CD1-CG1 4.36Å; S26-I52 PolarHBondContact O-N 3.38Å; I50-I52 HydrophobicContact CG2-CD1 4.05Å; I52-L54 HydrophobicContact CB-CD2 4.27Å; I52-L54 HydrophobicContact CG2-CD2 4.22Å; I52-L54 PolarHBondContact O-N 2.84Å; I52-K57 HydrophobicContact CG2-CG 4.45Å; I52-W60 HydrophobicContact CD1-CH2 3.64Å; I52-W60 HydrophobicContact CD1-CZ2 4.35Å; I52-W60 HydrophobicContact CD1-CZ3 4.33Å; I52-F61 HydrophobicContact CD1-CB 4.32Å; I52-F61 HydrophobicContact CD1-CD1 4.47Å; I52-F61 HydrophobicContact CD1-CD2 4.14Å; I52-F61 HydrophobicContact CD1-CG 4.04Å; I52-F61 HydrophobicContact CG1-CD1 4.24Å; I52-F61 HydrophobicContact CG1-CD2 4.2Å; I52-F61 HydrophobicContact CG1-CE1 4.26Å; I52-F61 HydrophobicContact CG1-CE2 4.26Å; I52-F61 HydrophobicContact CG1-CG 4.2Å; I52-F61 HydrophobicContact CG1-CZ 4.28Å; I52-F61 HydrophobicContact CG2-CD1 3.82Å; I52-F61 HydrophobicContact CG2-CE1 4.04Å; I52-F61 HydrophobicContact CG2-CG 4.41Å; I52-V70 HydrophobicContact CB-CG1 4.24Å; I52-V70 HydrophobicContact CG1-CG1 4.22Å
53H97.5Very high97.6Very high31 Ų3151.8 Ų51.814%0.14426%0.26CS..  trans-74.6104.1172.4-174.8-78.8000110F7 A8 K55 Q56 K57 Y235F7-H53 WeakPolarHBondContact O-CB 2.92Å; F7-H53 PolarHBondContact O-N 3.42Å; A8-H53 HydrophobicContact CB-CB 3.73Å; H53-K55 VanDerWaalsContact C-N 3.26Å; H53-K55 PolarHBondContact O-N 3.27Å; H53-K55 VanDerWaalsContact O-N 3.13Å; H53-Q56 WeakPolarHBondContact ND1-CB 3.4Å; H53-Q56 PolarHBondContact ND1-N 3.13Å; H53-Q56 CarbonylContact O-C 3.26Å; H53-Q56 VanDerWaalsContact O-C 3.29Å; H53-Q56 PolarHBondContact O-N 3.47Å; H53-K57 WeakPolarHBondContact O-CA 3.38Å; H53-K57 PolarHBondContact O-N 3.11Å; H53-Y235 HydrophobicContact CB-CD2 4.44Å; H53-Y235 AromaticContact CD2-CD2 3.39Å; H53-Y235 WeakPolarHBondContact CD2-CD2 3.29Å; H53-Y235 AromaticContact CD2-CE2 3.9Å; H53-Y235 AromaticContact CE1-CE2 3.83Å; H53-Y235 AromaticContact CG-CD2 3.79Å; H53-Y235 AromaticContact NE2-CD2 3.59Å; H53-Y235 AromaticContact NE2-CE2 3.72Å
54L96.9Very high97.5Very high44 Ų4453.8 Ų53.823%0.2327%0.269CS..THydrogen-bonded Turntrans-73.1-10.9-164.8-54.8-179.7000115.3M27 I52 K57 V70 Y235M27-L54 HydrophobicContact CB-CD1 3.88Å; M27-L54 HydrophobicContact CB-CD2 4.26Å; M27-L54 HydrophobicContact CB-CG 4.09Å; M27-L54 HydrophobicContact CE-CD1 3.68Å; M27-L54 HydrophobicContact CG-CD1 3.82Å; M27-L54 HydrophobicContact CG-CG 4.01Å; I52-L54 HydrophobicContact CB-CD2 4.27Å; I52-L54 HydrophobicContact CG2-CD2 4.22Å; I52-L54 PolarHBondContact O-N 2.84Å; L54-K57 WeakPolarHBondContact O-CE 3.2Å; L54-V70 HydrophobicContact CD1-CG2 4.27Å; L54-V70 HydrophobicContact CD2-CG1 4.1Å; L54-V70 HydrophobicContact CD2-CG2 3.85Å; L54-Y235 HydrophobicContact CB-CE1 4.03Å; L54-Y235 HydrophobicContact CB-CE2 4.42Å; L54-Y235 HydrophobicContact CD1-CE1 4.16Å; L54-Y235 HydrophobicContact CG-CE1 4.12Å
55K95.8Very high97.6Very high126 Ų12650.9 Ų50.955%0.54824%0.239SC..THydrogen-bonded Turntrans-97.3-22.7172.7-79.7-162.1177.7-170.50114.5H53 G231 P233H53-K55 VanDerWaalsContact C-N 3.26Å; H53-K55 PolarHBondContact O-N 3.27Å; H53-K55 VanDerWaalsContact O-N 3.13Å; K55-G231 PolarHBondContact NZ-O 3.35Å; K55-P233 HydrophobicContact CD-CG 4.17Å
56Q96.6Very high97.5Very high115 Ų11555.2 Ų55.254%0.53727%0.268SS..SBendtrans-133.266.9-176.5-62.5175.226.600105.3A8 A9 H53A8-Q56 CarbonylContact C-O 3.53Å; A8-Q56 WeakPolarHBondContact CA-O 3.28Å; A8-Q56 HydrophobicContact CB-CB 4.38Å; A9-Q56 HydrophobicContact CB-CB 4.3Å; A9-Q56 PolarHBondContact N-O 3.16Å; H53-Q56 WeakPolarHBondContact ND1-CB 3.4Å; H53-Q56 PolarHBondContact ND1-N 3.13Å; H53-Q56 CarbonylContact O-C 3.26Å; H53-Q56 VanDerWaalsContact O-C 3.29Å; H53-Q56 PolarHBondContact O-N 3.47Å
57K97.4Very high97.5Very high55 Ų5553.9 Ų53.924%0.23927%0.267CS..  trans-69.7140.7-171.3-60.7174.5-170.8176.70108.8I52 H53 L54 L62 D67 G68I52-K57 HydrophobicContact CG2-CG 4.45Å; H53-K57 WeakPolarHBondContact O-CA 3.38Å; H53-K57 PolarHBondContact O-N 3.11Å; L54-K57 WeakPolarHBondContact O-CE 3.2Å; K57-L62 HydrophobicContact CB-CD2 4.26Å; K57-L62 HydrophobicContact CB-CG 4.35Å; K57-L62 HydrophobicContact CD-CD2 3.86Å; K57-D67 PolarHBondContact NZ-O 2.52Å; K57-G68 WeakPolarHBondContact CD-O 3.49Å; K57-G68 WeakPolarHBondContact CE-O 3.47Å; K57-G68 PolarHBondContact NZ-O 3.35Å
58P98.3Very high97.5Very high1 Ų151.9 Ų51.91%0.00626%0.258CS..  trans-65.1141.8171.2-14.726.7000111.5F7 W60 F61 L62F7-P58 HydrophobicContact CB-CG 3.95Å; F7-P58 WeakPolarHBondContact O-CD 3.44Å; F7-P58 WeakPolarHBondContact O-CG 3.4Å; P58-W60 VanDerWaalsContact C-N 3.32Å; P58-W60 HydrophobicContact CB-CD2 3.98Å; P58-W60 HydrophobicContact CB-CG 4.12Å; P58-W60 HydrophobicContact CB-CZ2 3.81Å; P58-W60 HydrophobicContact CG-CH2 4.42Å; P58-W60 HydrophobicContact CG-CZ2 3.7Å; P58-W60 PolarHBondContact O-N 3.22Å; P58-F61 HydrophobicContact CB-CB 4.42Å; P58-F61 WeakPolarHBondContact O-CB 3.46Å; P58-F61 PolarHBondContact O-N 3.23Å; P58-L62 PolarHBondContact O-N 2.78Å
59D98.3Very high97.5Very high114 Ų11453.9 Ų53.961%0.6127%0.27SS*.Hα-helixtrans-61.1-41.3-179.7-62-32.5000111.9F61 L62 E63D59-F61 PolarHBondContact O-N 2.91Å; D59-F61 VanDerWaalsContact O-N 3.12Å; D59-L62 WeakPolarHBondContact O-CA 3.35Å; D59-L62 WeakPolarHBondContact O-CB 3.4Å; D59-L62 PolarHBondContact O-N 3.41Å; D59-E63 PolarHBondContact O-N 2.81Å
60W98.1Very high97.5Very high28 Ų2853.4 Ų53.411%0.10627%0.267CS..Hα-helixtrans-60.7-24.4176.861.6-106.4000113.2F7 S11 A13 P14 Y25 I50 I52 P58F7-W60 HydrophobicContact CB-CZ2 3.92Å; F7-W60 AromaticContact CD1-CZ2 3.83Å; F7-W60 HydrophobicContact CD1-CZ2 3.83Å; F7-W60 HydrophobicContact CG-CZ2 4.12Å; S11-W60 PolarHBondContact O-NE1 2.92Å; A13-W60 HydrophobicContact CB-CB 4.02Å; A13-W60 HydrophobicContact CB-CD2 4.1Å; A13-W60 HydrophobicContact CB-CG 3.72Å; P14-W60 HydrophobicContact CG-CH2 4.25Å; P14-W60 HydrophobicContact CG-CZ3 4.26Å; Y25-W60 HydrophobicContact CD1-CH2 4.26Å; Y25-W60 HydrophobicContact CD1-CZ3 4.08Å; Y25-W60 AromaticContact CE1-CH2 3.79Å; Y25-W60 HydrophobicContact CE1-CH2 3.79Å; Y25-W60 AromaticContact CE1-CZ3 3.39Å; Y25-W60 HydrophobicContact CE1-CZ3 3.39Å; I50-W60 HydrophobicContact CG2-CH2 4.13Å; I52-W60 HydrophobicContact CD1-CH2 3.64Å; I52-W60 HydrophobicContact CD1-CZ2 4.35Å; I52-W60 HydrophobicContact CD1-CZ3 4.33Å; P58-W60 VanDerWaalsContact C-N 3.32Å; P58-W60 HydrophobicContact CB-CD2 3.98Å; P58-W60 HydrophobicContact CB-CG 4.12Å; P58-W60 HydrophobicContact CB-CZ2 3.81Å; P58-W60 HydrophobicContact CG-CH2 4.42Å; P58-W60 HydrophobicContact CG-CZ2 3.7Å; P58-W60 PolarHBondContact O-N 3.22Å
61F98.5Very high97.6Very high0 Ų053.4 Ų53.40%027%0.267CS..Hα-helixtrans-78.2-37.8174.9176.5-114.9000110.8Y25 I52 P58 D59 E63 K64 N65 L69 V70Y25-F61 HydrophobicContact CD1-CD2 4.02Å; Y25-F61 HydrophobicContact CD1-CE2 4.19Å; Y25-F61 HydrophobicContact CD2-CD2 4.4Å; Y25-F61 HydrophobicContact CD2-CE2 4.11Å; Y25-F61 AromaticContact CG-CD2 3.95Å; Y25-F61 HydrophobicContact CG-CD2 3.95Å; Y25-F61 AromaticContact CG-CE2 3.68Å; Y25-F61 HydrophobicContact CG-CE2 3.68Å; I52-F61 HydrophobicContact CD1-CB 4.32Å; I52-F61 HydrophobicContact CD1-CD1 4.47Å; I52-F61 HydrophobicContact CD1-CD2 4.14Å; I52-F61 HydrophobicContact CD1-CG 4.04Å; I52-F61 HydrophobicContact CG1-CD1 4.24Å; I52-F61 HydrophobicContact CG1-CD2 4.2Å; I52-F61 HydrophobicContact CG1-CE1 4.26Å; I52-F61 HydrophobicContact CG1-CE2 4.26Å; I52-F61 HydrophobicContact CG1-CG 4.2Å; I52-F61 HydrophobicContact CG1-CZ 4.28Å; I52-F61 HydrophobicContact CG2-CD1 3.82Å; I52-F61 HydrophobicContact CG2-CE1 4.04Å; I52-F61 HydrophobicContact CG2-CG 4.41Å; P58-F61 HydrophobicContact CB-CB 4.42Å; P58-F61 WeakPolarHBondContact O-CB 3.46Å; P58-F61 PolarHBondContact O-N 3.23Å; D59-F61 PolarHBondContact O-N 2.91Å; D59-F61 VanDerWaalsContact O-N 3.12Å; F61-E63 VanDerWaalsContact C-N 3.28Å; F61-E63 PolarHBondContact O-N 3.28Å; F61-K64 PolarHBondContact O-N 3.11Å; F61-K64 VanDerWaalsContact O-N 3.11Å; F61-N65 HydrophobicContact CE2-CB 4.46Å; F61-N65 HydrophobicContact CZ-CB 4.36Å; F61-N65 PolarHBondContact O-N 2.95Å; F61-L69 WeakPolarHBondContact CZ-O 3.47Å; F61-V70 HydrophobicContact CE1-CG1 4.36Å; F61-V70 HydrophobicContact CZ-CG1 3.88Å
62L98.3Very high97.6Very high63 Ų6353.2 Ų53.233%0.3327%0.266SS..Hα-helixtrans-66.1-31.7175.7-62.6175.7000112K57 P58 D59 K64 N65 P66K57-L62 HydrophobicContact CB-CD2 4.26Å; K57-L62 HydrophobicContact CB-CG 4.35Å; K57-L62 HydrophobicContact CD-CD2 3.86Å; P58-L62 PolarHBondContact O-N 2.78Å; D59-L62 WeakPolarHBondContact O-CA 3.35Å; D59-L62 WeakPolarHBondContact O-CB 3.4Å; D59-L62 PolarHBondContact O-N 3.41Å; L62-K64 VanDerWaalsContact C-N 3.26Å; L62-K64 PolarHBondContact O-N 2.85Å; L62-N65 CarbonylContact O-C 3.56Å; L62-N65 VanDerWaalsContact O-C 3.26Å; L62-P66 WeakPolarHBondContact O-CA 3.42Å
63E97.5Very high97.6Very high158 Ų15853.2 Ų53.274%0.73827%0.266SS*.Hα-helixtrans-62.3-33.6171.1-69.6173.5-176.300112.5D59 F61D59-E63 PolarHBondContact O-N 2.81Å; F61-E63 VanDerWaalsContact C-N 3.28Å; F61-E63 PolarHBondContact O-N 3.28Å
64K96.1Very high97.6Very high67 Ų6752.5 Ų52.529%0.29126%0.263SS..Hα-helixtrans-81.9-44.6178-66.1177.8-174-69.40112.3Y25 F61 L62 E74 V80Y25-K64 HydrophobicContact CE2-CD 3.9Å; Y25-K64 WeakPolarHBondContact OH-CD 3.12Å; Y25-K64 VanDerWaalsContact OH-CE 3.31Å; Y25-K64 WeakPolarHBondContact OH-CE 3.06Å; F61-K64 PolarHBondContact O-N 3.11Å; F61-K64 VanDerWaalsContact O-N 3.11Å; L62-K64 VanDerWaalsContact C-N 3.26Å; L62-K64 PolarHBondContact O-N 2.85Å; K64-E74 IonicContact NZ-OE1 3.54Å; K64-E74 PolarHBondContact NZ-OE1 3.46Å; K64-E74 IonicContact NZ-OE2 3.66Å; K64-E74 PolarHBondContact NZ-OE2 2.85Å; K64-V80 HydrophobicContact CB-CG2 4.36Å
65N97.6Very high97.7Very high2 Ų250.9 Ų50.91%0.01126%0.255CS..  trans-130.597.9177.7-175.113000109.4F61 L62 D67 G68 L69 T72 N82F61-N65 HydrophobicContact CE2-CB 4.46Å; F61-N65 HydrophobicContact CZ-CB 4.36Å; F61-N65 PolarHBondContact O-N 2.95Å; L62-N65 CarbonylContact O-C 3.56Å; L62-N65 VanDerWaalsContact O-C 3.26Å; N65-D67 PolarHBondContact O-N 3.49Å; N65-G68 VanDerWaalsContact O-CA 3.3Å; N65-G68 WeakPolarHBondContact O-CA 3.44Å; N65-G68 PolarHBondContact O-N 2.68Å; N65-L69 PolarHBondContact ND2-N 3.09Å; N65-L69 PolarHBondContact ND2-O 3.19Å; N65-T72 HydrophobicContact CB-CG2 4.4Å; N65-T72 PolarHBondContact ND2-OG1 3.39Å; N65-T72 VanDerWaalsContact ND2-OG1 3.16Å; N65-N82 PolarHBondContact OD1-ND2 3.01Å
66P96.8Very high97.8Very high104 Ų10447.9 Ų47.968%0.67525%0.248SC*.THydrogen-bonded Turntrans-58.7-28.2-177.8-28.636.8000114.7L62 G68L62-P66 WeakPolarHBondContact O-CA 3.42Å; P66-G68 PolarHBondContact O-N 2.98Å
67D96.8Very high97.8Very high99 Ų9946.3 Ų46.353%0.52926%0.255SS..THydrogen-bonded Turntrans-69.2-18.8173.7-61-42.3000111.9K57 N65 L69K57-D67 PolarHBondContact NZ-O 2.52Å; N65-D67 PolarHBondContact O-N 3.49Å; D67-L69 HydrophobicContact CB-CD1 4.15Å; D67-L69 HydrophobicContact CB-CG 3.98Å; D67-L69 PolarHBondContact O-N 3.45Å
68G96.7Very high97.7Very high1 Ų145.8 Ų45.81%0.0127%0.265CS..  trans58.829.8-178.400000112.4K57 N65 P66K57-G68 WeakPolarHBondContact CD-O 3.49Å; K57-G68 WeakPolarHBondContact CE-O 3.47Å; K57-G68 PolarHBondContact NZ-O 3.35Å; N65-G68 VanDerWaalsContact O-CA 3.3Å; N65-G68 WeakPolarHBondContact O-CA 3.44Å; N65-G68 PolarHBondContact O-N 2.68Å; P66-G68 PolarHBondContact O-N 2.98Å
69L97.9Very high97.6Very high92 Ų9251.2 Ų51.248%0.48229%0.291SS..  trans-95.7152.4179.7-61.5179.5000110.4F61 N65 D67 T72F61-L69 WeakPolarHBondContact CZ-O 3.47Å; N65-L69 PolarHBondContact ND2-N 3.09Å; N65-L69 PolarHBondContact ND2-O 3.19Å; D67-L69 HydrophobicContact CB-CD1 4.15Å; D67-L69 HydrophobicContact CB-CG 3.98Å; D67-L69 PolarHBondContact O-N 3.45Å; L69-T72 PolarHBondContact O-OG1 2.8Å
70V98.4Very high97.6Very high13 Ų1348.5 Ų48.58%0.07928%0.278CS..SBendtrans-114.5144.1170.1-63.90000108.7M27 C30 A33 I52 L54 F61M27-V70 HydrophobicContact CB-CG2 3.91Å; C30-V70 HydrophobicContact CB-CG2 4.21Å; A33-V70 HydrophobicContact CB-CB 4.5Å; A33-V70 HydrophobicContact CB-CG2 4.36Å; I52-V70 HydrophobicContact CB-CG1 4.24Å; I52-V70 HydrophobicContact CG1-CG1 4.22Å; L54-V70 HydrophobicContact CD1-CG2 4.27Å; L54-V70 HydrophobicContact CD2-CG1 4.1Å; L54-V70 HydrophobicContact CD2-CG2 3.85Å; F61-V70 HydrophobicContact CE1-CG1 4.36Å; F61-V70 HydrophobicContact CZ-CG1 3.88Å
71P98.7Very high97.7Very high4 Ų448.2 Ų48.23%0.02628%0.279CS..  cis-82.6153.29.932.9-32.8000114.2L24 Y25 A33 T36L24-P71 HydrophobicContact CD1-CB 3.76Å; Y25-P71 WeakPolarHBondContact O-CA 3.37Å; A33-P71 HydrophobicContact CB-CB 3.96Å; A33-P71 HydrophobicContact CB-CG 4.43Å; T36-P71 WeakPolarHBondContact OG1-CB 3.39Å; T36-P71 WeakPolarHBondContact OG1-CG 3.13Å
72T98.8Very high97.6Very high0 Ų050.7 Ų50.70%029%0.293CS..EExtended strand (participates in β ladder)trans-133.9133.9165-59.20000108.7Y25 N65 L69 V80 V81Y25-T72 HydrophobicContact CD2-CG2 4.07Å; Y25-T72 PolarHBondContact N-O 3.39Å; Y25-T72 PolarHBondContact O-N 2.76Å; Y25-T72 VanDerWaalsContact O-N 3.14Å; N65-T72 HydrophobicContact CB-CG2 4.4Å; N65-T72 PolarHBondContact ND2-OG1 3.39Å; N65-T72 VanDerWaalsContact ND2-OG1 3.16Å; L69-T72 PolarHBondContact O-OG1 2.8Å; T72-V80 HydrophobicContact CG2-CG1 3.35Å; T72-V81 CarbonylContact C-O 3.5Å; T72-V81 WeakPolarHBondContact CA-O 3.46Å
73I98.7Very high97.6Very high0 Ų052 Ų520%030%0.297CS..EExtended strand (participates in β ladder)trans-100.3137.3173.2-68.2-67.1000109.3V22 R23 L24 T36 L40 V80 V81 T87 F90 L91V22-I73 HydrophobicContact CB-CG2 4.34Å; R23-I73 CarbonylContact O-C 3.56Å; R23-I73 VanDerWaalsContact O-CA 3.32Å; R23-I73 WeakPolarHBondContact O-CA 3.34Å; L24-I73 HydrophobicContact CB-CD1 4.1Å; L24-I73 HydrophobicContact CD1-CD1 3.81Å; T36-I73 HydrophobicContact CG2-CD1 3.85Å; T36-I73 HydrophobicContact CG2-CG1 4.04Å; L40-I73 HydrophobicContact CD1-CD1 4.45Å; I73-V80 WeakPolarHBondContact O-CA 3.31Å; I73-V81 HydrophobicContact CB-CB 4.45Å; I73-V81 PolarHBondContact N-O 2.78Å; I73-V81 PolarHBondContact O-N 2.85Å; I73-T87 HydrophobicContact CB-CG2 4.27Å; I73-T87 HydrophobicContact CG1-CG2 3.88Å; I73-F90 HydrophobicContact CG2-CE1 4.26Å; I73-L91 HydrophobicContact CD1-CD1 4.15Å; I73-L91 HydrophobicContact CG1-CD1 4.32Å
74E98.5Very high97.7Very high16 Ų1644.8 Ų44.88%0.07526%0.264CS..EExtended strand (participates in β ladder)trans-121.4128.8167.7-179.1179.3-156.600109.9V17 R23 Y25 K64 E79V17-E74 HydrophobicContact CG2-CB 4.18Å; V17-E74 HydrophobicContact CG2-CG 3.73Å; R23-E74 HydrophobicContact CB-CB 4.29Å; R23-E74 PolarHBondContact N-O 3.01Å; R23-E74 IonicContact NH1-OE2 3.47Å; R23-E74 PolarHBondContact O-N 2.85Å; Y25-E74 HydrophobicContact CE2-CB 3.87Å; Y25-E74 WeakPolarHBondContact CE2-OE2 3.33Å; Y25-E74 PolarHBondContact OH-OE2 3.1Å; K64-E74 IonicContact NZ-OE1 3.54Å; K64-E74 PolarHBondContact NZ-OE1 3.46Å; K64-E74 IonicContact NZ-OE2 3.66Å; K64-E74 PolarHBondContact NZ-OE2 2.85Å; E74-E79 VanDerWaalsContact CA-O 3.29Å; E74-E79 WeakPolarHBondContact CA-O 3.47Å
75T98.1Very high97.8Very high11 Ų1143.2 Ų43.27%0.06726%0.26CS..  trans-86.5163.9179.176.10000111.2A77 G78 E79 F90T75-A77 PolarHBondContact O-N 3.14Å; T75-A77 VanDerWaalsContact O-N 3.11Å; T75-A77 PolarHBondContact OG1-N 3.15Å; T75-G78 PolarHBondContact O-N 3.21Å; T75-E79 HydrophobicContact CG2-CB 4.06Å; T75-E79 PolarHBondContact N-O 3.31Å; T75-E79 WeakPolarHBondContact OG1-CB 3.32Å; T75-E79 PolarHBondContact OG1-N 3.09Å; T75-E79 PolarHBondContact OG1-OE2 2.9Å; T75-F90 HydrophobicContact CG2-CE1 4.07Å; T75-F90 HydrophobicContact CG2-CZ 3.87Å
76P97.3Very high97.8Very high62 Ų6247.6 Ų47.640%0.40328%0.282SS..THydrogen-bonded Turntrans-57-22170.7-27.637000114.8V17 P18 Q21 G78V17-P76 HydrophobicContact CG1-CG 4.28Å; P18-P76 WeakPolarHBondContact O-CG 3.38Å; Q21-P76 WeakPolarHBondContact O-CD 3.2Å; Q21-P76 WeakPolarHBondContact O-CG 3.27Å; P76-G78 VanDerWaalsContact C-N 3.27Å
77A96.4Very high97.9Very high83 Ų8342.6 Ų42.669%0.68625%0.25SS*.THydrogen-bonded Turntrans-83-2.9175.800000113.1T75 E79T75-A77 PolarHBondContact O-N 3.14Å; T75-A77 VanDerWaalsContact O-N 3.11Å; T75-A77 PolarHBondContact OG1-N 3.15Å; A77-E79 VanDerWaalsContact C-N 3.35Å; A77-E79 HydrophobicContact CB-CG 4.26Å
78G96.1Very high98Very high43 Ų4337.9 Ų37.944%0.44323%0.225SC..  trans81.211.7-176.600000114T75 P76T75-G78 PolarHBondContact O-N 3.21Å; P76-G78 VanDerWaalsContact C-N 3.27Å
79E97.3Very high98.1Very high116 Ų11639.4 Ų39.454%0.54223%0.232SC..  trans-74.4138.7175-56.5159.9124.200109.6E74 T75 A77E74-E79 VanDerWaalsContact CA-O 3.29Å; E74-E79 WeakPolarHBondContact CA-O 3.47Å; T75-E79 HydrophobicContact CG2-CB 4.06Å; T75-E79 PolarHBondContact N-O 3.31Å; T75-E79 WeakPolarHBondContact OG1-CB 3.32Å; T75-E79 PolarHBondContact OG1-N 3.09Å; T75-E79 PolarHBondContact OG1-OE2 2.9Å; A77-E79 VanDerWaalsContact C-N 3.35Å; A77-E79 HydrophobicContact CB-CG 4.26Å
80V98.3Very high98.1Very high56 Ų5637.5 Ų37.534%0.33922%0.219SC..EExtended strand (participates in β ladder)trans-116.1129.5-177.3-1790000110.1K64 T72 I73K64-V80 HydrophobicContact CB-CG2 4.36Å; T72-V80 HydrophobicContact CG2-CG1 3.35Å; I73-V80 WeakPolarHBondContact O-CA 3.31Å
81V98.5Very high98.1Very high23 Ų2336.9 Ų36.914%0.13922%0.216CC..EExtended strand (participates in β ladder)trans-124.6125176.1-174.30000108.4T72 I73 I86 T87 F90T72-V81 CarbonylContact C-O 3.5Å; T72-V81 WeakPolarHBondContact CA-O 3.46Å; I73-V81 HydrophobicContact CB-CB 4.45Å; I73-V81 PolarHBondContact N-O 2.78Å; I73-V81 PolarHBondContact O-N 2.85Å; V81-I86 HydrophobicContact CG1-CG2 3.77Å; V81-T87 HydrophobicContact CB-CG2 4.28Å; V81-T87 HydrophobicContact CG1-CG2 3.97Å; V81-T87 WeakPolarHBondContact O-CG2 3.5Å; V81-F90 HydrophobicContact CG1-CB 4.25Å; V81-F90 HydrophobicContact CG1-CG 4.41Å; V81-F90 HydrophobicContact CG2-CD1 4.09Å; V81-F90 HydrophobicContact CG2-CD2 4.17Å; V81-F90 HydrophobicContact CG2-CE1 4.17Å; V81-F90 HydrophobicContact CG2-CE2 4.24Å; V81-F90 HydrophobicContact CG2-CG 4.09Å; V81-F90 HydrophobicContact CG2-CZ 4.23Å
82N97.7Very high98.1Very high52 Ų5237 Ų3728%0.27822%0.216SC..EExtended strand (participates in β ladder)trans-113.6-179176.960.211.2000110.7N65 I86N65-N82 PolarHBondContact OD1-ND2 3.01Å; N82-I86 WeakPolarHBondContact O-CB 3.29Å
83E97.9Very high97.9Very high90 Ų9042.8 Ų42.842%0.42124%0.243SC..SBendtrans69.4128.7-170.9-62.9-59.6143.700115.1V85 I86 T87E83-V85 VanDerWaalsContact C-N 3.3Å; E83-V85 PolarHBondContact O-N 2.88Å; E83-I86 HydrophobicContact CB-CB 4.04Å; E83-I86 HydrophobicContact CB-CD1 3.84Å; E83-I86 HydrophobicContact CB-CG1 3.88Å; E83-I86 HydrophobicContact CG-CD1 4.14Å; E83-I86 PolarHBondContact O-N 3.44Å; E83-T87 WeakPolarHBondContact O-CB 3.39Å; E83-T87 WeakPolarHBondContact O-CG2 3.45Å; E83-T87 PolarHBondContact O-N 3.33Å; E83-T87 PolarHBondContact O-OG1 2.85Å
84S98.4Very high97.7Very high6 Ų646.3 Ų46.34%0.04227%0.265CS..Hα-helixtrans-61.1-34.8-172.861.10000114.8F32 R35 T87 S88F32-S84 WeakPolarHBondContact O-CB 3.47Å; R35-S84 PolarHBondContact NH1-OG 3.38Å; R35-S84 VanDerWaalsContact NH1-OG 3.13Å; S84-T87 WeakPolarHBondContact CA-OG1 3.39Å; S84-T87 PolarHBondContact O-OG1 3.47Å; S84-T87 VanDerWaalsContact O-OG1 3.11Å; S84-S88 VanDerWaalsContact O-CB 3.24Å; S84-S88 WeakPolarHBondContact O-CB 3.14Å; S84-S88 PolarHBondContact O-N 3.35Å; S84-S88 PolarHBondContact O-OG 3.24Å
85V98.5Very high97.5Very high35 Ų3548.5 Ų48.521%0.21227%0.273CS..Hα-helixtrans-77.5-45.1178.4-176.30000109.8E83 S88 E89 L115 F171E83-V85 VanDerWaalsContact C-N 3.3Å; E83-V85 PolarHBondContact O-N 2.88Å; V85-S88 WeakPolarHBondContact O-CB 3.31Å; V85-S88 PolarHBondContact O-N 2.87Å; V85-E89 HydrophobicContact CG1-CG 4.36Å; V85-E89 WeakPolarHBondContact O-CG 3.49Å; V85-E89 PolarHBondContact O-N 2.97Å; V85-L115 HydrophobicContact CB-CD2 4.35Å; V85-L115 HydrophobicContact CG1-CD2 3.6Å; V85-L115 HydrophobicContact CG2-CD2 3.74Å; V85-F171 HydrophobicContact CG1-CE1 4.47Å; V85-F171 HydrophobicContact CG1-CZ 4.35Å
86I98.6Very high97Very high93 Ų9351.3 Ų51.348%0.47729%0.291SS..Hα-helixtrans-64.4-48.1-178.8-57.8-179.1000110.7V81 N82 E83 S88 E89 F90V81-I86 HydrophobicContact CG1-CG2 3.77Å; N82-I86 WeakPolarHBondContact O-CB 3.29Å; E83-I86 HydrophobicContact CB-CB 4.04Å; E83-I86 HydrophobicContact CB-CD1 3.84Å; E83-I86 HydrophobicContact CB-CG1 3.88Å; E83-I86 HydrophobicContact CG-CD1 4.14Å; E83-I86 PolarHBondContact O-N 3.44Å; I86-S88 VanDerWaalsContact C-N 3.26Å; I86-S88 PolarHBondContact O-N 2.96Å; I86-E89 PolarHBondContact O-N 3.4Å; I86-F90 VanDerWaalsContact O-CB 3.27Å; I86-F90 WeakPolarHBondContact O-CB 3.34Å; I86-F90 PolarHBondContact O-N 3.11Å
87T98.7Very high96.7Very high0 Ų056 Ų560%031%0.308CS..Hα-helixtrans-56-41.8173.651.20000112.1T36 I73 V81 E83 S84 L91T36-T87 PolarHBondContact OG1-OG1 2.72Å; I73-T87 HydrophobicContact CB-CG2 4.27Å; I73-T87 HydrophobicContact CG1-CG2 3.88Å; V81-T87 HydrophobicContact CB-CG2 4.28Å; V81-T87 HydrophobicContact CG1-CG2 3.97Å; V81-T87 WeakPolarHBondContact O-CG2 3.5Å; E83-T87 WeakPolarHBondContact O-CB 3.39Å; E83-T87 WeakPolarHBondContact O-CG2 3.45Å; E83-T87 PolarHBondContact O-N 3.33Å; E83-T87 PolarHBondContact O-OG1 2.85Å; S84-T87 WeakPolarHBondContact CA-OG1 3.39Å; S84-T87 PolarHBondContact O-OG1 3.47Å; S84-T87 VanDerWaalsContact O-OG1 3.11Å; T87-L91 WeakPolarHBondContact O-CB 3.45Å; T87-L91 WeakPolarHBondContact O-CG 3.46Å; T87-L91 PolarHBondContact O-N 3.38Å
88S98.6Very high96.5Very high0 Ų057.5 Ų57.50%030%0.299CS..Hα-helixtrans-68-42.3179-64.60000112.2S84 V85 I86 D92S84-S88 VanDerWaalsContact O-CB 3.24Å; S84-S88 WeakPolarHBondContact O-CB 3.14Å; S84-S88 PolarHBondContact O-N 3.35Å; S84-S88 PolarHBondContact O-OG 3.24Å; V85-S88 WeakPolarHBondContact O-CB 3.31Å; V85-S88 PolarHBondContact O-N 2.87Å; I86-S88 VanDerWaalsContact C-N 3.26Å; I86-S88 PolarHBondContact O-N 2.96Å; S88-D92 PolarHBondContact O-N 3.28Å; S88-D92 VanDerWaalsContact O-N 3.11Å
89E98.3Very high96.4Very high33 Ų3361.9 Ų61.915%0.15431%0.306CS..Hα-helixtrans-64.9-46.6175.4-69.5-171171.900110.9V85 I86 L91 D92 E93 L101 K112 F171V85-E89 HydrophobicContact CG1-CG 4.36Å; V85-E89 WeakPolarHBondContact O-CG 3.49Å; V85-E89 PolarHBondContact O-N 2.97Å; I86-E89 PolarHBondContact O-N 3.4Å; E89-L91 VanDerWaalsContact C-N 3.34Å; E89-L91 PolarHBondContact O-N 3.02Å; E89-D92 WeakPolarHBondContact O-CA 3.41Å; E89-D92 PolarHBondContact O-N 3.23Å; E89-E93 WeakPolarHBondContact O-CG 3.46Å; E89-E93 PolarHBondContact O-N 2.99Å; E89-L101 HydrophobicContact CG-CD1 4.26Å; E89-K112 VanDerWaalsContact CD-NZ 3.27Å; E89-K112 WeakPolarHBondContact OE1-CE 3.14Å; E89-K112 IonicContact OE1-NZ 2.73Å; E89-K112 PolarHBondContact OE1-NZ 2.74Å; E89-K112 IonicContact OE2-NZ 3.73Å; E89-K112 PolarHBondContact OE2-NZ 3.39Å; E89-F171 HydrophobicContact CG-CE1 4.24Å; E89-F171 HydrophobicContact CG-CE2 4.04Å; E89-F171 HydrophobicContact CG-CZ 3.54Å
90F98.4Very high96.5Very high51 Ų5156.9 Ų56.922%0.22428%0.283CS..Hα-helixtrans-54.1-49.2176.4171.4-101.4000111.8I73 T75 V81 I86 D92 E93 V94I73-F90 HydrophobicContact CG2-CE1 4.26Å; T75-F90 HydrophobicContact CG2-CE1 4.07Å; T75-F90 HydrophobicContact CG2-CZ 3.87Å; V81-F90 HydrophobicContact CG1-CB 4.25Å; V81-F90 HydrophobicContact CG1-CG 4.41Å; V81-F90 HydrophobicContact CG2-CD1 4.09Å; V81-F90 HydrophobicContact CG2-CD2 4.17Å; V81-F90 HydrophobicContact CG2-CE1 4.17Å; V81-F90 HydrophobicContact CG2-CE2 4.24Å; V81-F90 HydrophobicContact CG2-CG 4.09Å; V81-F90 HydrophobicContact CG2-CZ 4.23Å; I86-F90 VanDerWaalsContact O-CB 3.27Å; I86-F90 WeakPolarHBondContact O-CB 3.34Å; I86-F90 PolarHBondContact O-N 3.11Å; F90-D92 VanDerWaalsContact C-N 3.3Å; F90-D92 PolarHBondContact O-N 3.47Å; F90-E93 PolarHBondContact O-N 3.4Å; F90-V94 HydrophobicContact CD2-CG2 3.91Å; F90-V94 HydrophobicContact CE1-CG2 4.23Å; F90-V94 HydrophobicContact CE2-CG2 3.56Å; F90-V94 HydrophobicContact CG-CG2 4.4Å; F90-V94 HydrophobicContact CZ-CG2 3.74Å; F90-V94 WeakPolarHBondContact O-CB 3.26Å; F90-V94 WeakPolarHBondContact O-CG2 3.45Å; F90-V94 PolarHBondContact O-N 2.94Å
91L98.3Very high96.4Very high0 Ų054.7 Ų54.70%027%0.269CS..Hα-helixtrans-63-36.5176.8-69.5168.7000112.1V22 T36 V39 L40 K43 I45 I73 T87 E89 E93 Y95V22-L91 HydrophobicContact CG2-CD2 4.19Å; T36-L91 HydrophobicContact CG2-CD1 3.57Å; V39-L91 HydrophobicContact CG1-CB 3.89Å; V39-L91 HydrophobicContact CG1-CD1 4.32Å; L40-L91 HydrophobicContact CD1-CD1 4.46Å; L40-L91 HydrophobicContact CD2-CD1 3.61Å; L40-L91 HydrophobicContact CD2-CD2 3.86Å; L40-L91 HydrophobicContact CD2-CG 4.36Å; L40-L91 HydrophobicContact CG-CD1 3.74Å; K43-L91 WeakPolarHBondContact CE-O 3.47Å; I45-L91 HydrophobicContact CD1-CB 4.15Å; I45-L91 HydrophobicContact CD1-CD2 4.17Å; I73-L91 HydrophobicContact CD1-CD1 4.15Å; I73-L91 HydrophobicContact CG1-CD1 4.32Å; T87-L91 WeakPolarHBondContact O-CB 3.45Å; T87-L91 WeakPolarHBondContact O-CG 3.46Å; T87-L91 PolarHBondContact O-N 3.38Å; E89-L91 VanDerWaalsContact C-N 3.34Å; E89-L91 PolarHBondContact O-N 3.02Å; L91-E93 VanDerWaalsContact C-N 3.32Å; L91-Y95 HydrophobicContact CD2-CD2 4.44Å; L91-Y95 HydrophobicContact CD2-CE2 4.16Å; L91-Y95 PolarHBondContact O-N 3.07Å
92D97.9Very high96.3Very high7 Ų755.2 Ų55.24%0.03727%0.273CS..Hα-helixtrans-67.5-33.3177.7-162.549.2000112.9K43 S88 E89 F90 L100 L101K43-D92 PolarHBondContact NZ-O 3.12Å; K43-D92 IonicContact NZ-OD1 3.87Å; K43-D92 PolarHBondContact NZ-OD1 3.36Å; S88-D92 PolarHBondContact O-N 3.28Å; S88-D92 VanDerWaalsContact O-N 3.11Å; E89-D92 WeakPolarHBondContact O-CA 3.41Å; E89-D92 PolarHBondContact O-N 3.23Å; F90-D92 VanDerWaalsContact C-N 3.3Å; F90-D92 PolarHBondContact O-N 3.47Å; D92-L100 PolarHBondContact OD1-N 3.09Å; D92-L100 PolarHBondContact OD2-N 3.27Å; D92-L101 HydrophobicContact CB-CD1 4.44Å; D92-L101 VanDerWaalsContact OD2-CB 3.24Å; D92-L101 WeakPolarHBondContact OD2-CB 3.27Å; D92-L101 WeakPolarHBondContact OD2-CG 3.36Å; D92-L101 PolarHBondContact OD2-N 3.05Å
93E96.3Very high96.1Very high121 Ų12156.8 Ų56.857%0.56529%0.293SS*.Hα-helixtrans-80.2-41.4179.9-69.1-173.3163.400113.2E89 F90 L91 K108E89-E93 WeakPolarHBondContact O-CG 3.46Å; E89-E93 PolarHBondContact O-N 2.99Å; F90-E93 PolarHBondContact O-N 3.4Å; L91-E93 VanDerWaalsContact C-N 3.32Å; E93-K108 IonicContact OE1-NZ 3.08Å
94V94.2Very high96Very high75 Ų7556.4 Ų56.446%0.45530%0.297SS..Hα-helixtrans-72.3-29.3-177.81730000112.7F90 P96F90-V94 HydrophobicContact CD2-CG2 3.91Å; F90-V94 HydrophobicContact CE1-CG2 4.23Å; F90-V94 HydrophobicContact CE2-CG2 3.56Å; F90-V94 HydrophobicContact CG-CG2 4.4Å; F90-V94 HydrophobicContact CZ-CG2 3.74Å; F90-V94 WeakPolarHBondContact O-CB 3.26Å; F90-V94 WeakPolarHBondContact O-CG2 3.45Å; F90-V94 PolarHBondContact O-N 2.94Å; V94-P96 VanDerWaalsContact O-CD 3.29Å; V94-P96 WeakPolarHBondContact O-CD 3.45Å
95Y94.3Very high96Very high62 Ų6261.5 Ų61.524%0.24333%0.33CS..  trans-114.683.5-178.4-64-88.4000110.7V22 K43 I45 L91 E97V22-Y95 HydrophobicContact CG1-CE2 4.36Å; V22-Y95 WeakPolarHBondContact CG1-OH 3.37Å; K43-Y95 WeakPolarHBondContact CE-O 3.39Å; K43-Y95 PolarHBondContact NZ-O 2.92Å; I45-Y95 HydrophobicContact CD1-CD1 4.46Å; I45-Y95 HydrophobicContact CD1-CD2 3.48Å; I45-Y95 VanDerWaalsContact CD1-CD2 3.48Å; I45-Y95 HydrophobicContact CD1-CE2 4.07Å; I45-Y95 HydrophobicContact CD1-CG 3.71Å; I45-Y95 HydrophobicContact CG1-CD1 4.06Å; I45-Y95 HydrophobicContact CG1-CD2 3.97Å; I45-Y95 HydrophobicContact CG1-CE1 4.5Å; I45-Y95 HydrophobicContact CG1-CE2 4.41Å; I45-Y95 HydrophobicContact CG1-CG 3.77Å; I45-Y95 HydrophobicContact CG2-CE1 4.26Å; I45-Y95 HydrophobicContact CG2-CE2 4.12Å; L91-Y95 HydrophobicContact CD2-CD2 4.44Å; L91-Y95 HydrophobicContact CD2-CE2 4.16Å; L91-Y95 PolarHBondContact O-N 3.07Å; Y95-E97 VanDerWaalsContact C-N 3.33Å; Y95-E97 PolarHBondContact O-N 3.35Å
96P87.9Confident95.9Very high70 Ų7066.4 Ų66.446%0.45535%0.348SS..THydrogen-bonded Turntrans-79.1-6.2-16432.5-38000115.5V94 K98V94-P96 VanDerWaalsContact O-CD 3.29Å; V94-P96 WeakPolarHBondContact O-CD 3.45Å; P96-K98 VanDerWaalsContact C-N 3.33Å; P96-K98 PolarHBondContact O-N 3.47Å
97E90.4Very high95.8Very high160 Ų16062.3 Ų62.375%0.74833%0.329SS*.THydrogen-bonded Turntrans-61.8-39.2-170.3-62.279.2-175.700112.6Y95Y95-E97 VanDerWaalsContact C-N 3.33Å; Y95-E97 PolarHBondContact O-N 3.35Å
98K91.9Very high95.8Very high114 Ų11465.4 Ų65.450%0.49634%0.342SS..SBendtrans-128.897.5176.2-178.3174.2171-172.90109.9A42 K43 P96A42-K98 VanDerWaalsContact O-CD 3.22Å; A42-K98 WeakPolarHBondContact O-CD 3.21Å; A42-K98 VanDerWaalsContact O-CE 3.23Å; A42-K98 WeakPolarHBondContact O-CE 3.5Å; A42-K98 PolarHBondContact O-NZ 3.49Å; K43-K98 PolarHBondContact NZ-O 2.93Å; P96-K98 VanDerWaalsContact C-N 3.33Å; P96-K98 PolarHBondContact O-N 3.47Å
99K95Very high95.8Very high136 Ų13667.4 Ų67.459%0.59136%0.359SS*.  trans-77.9131.5-179.1-62.9-166.8176.9-174.80112
100L97.8Very high95.7Very high11 Ų1168.6 Ų68.66%0.05837%0.365CS..SBendtrans-95.9-33.3171.7-62.1177.2000111.5V39 A42 K43 D92 T170 F171 Y174V39-L100 HydrophobicContact CB-CD1 4.2Å; V39-L100 HydrophobicContact CG1-CD1 3.98Å; V39-L100 HydrophobicContact CG2-CD1 3.85Å; A42-L100 HydrophobicContact CB-CD1 4.25Å; A42-L100 HydrophobicContact CB-CD2 4.18Å; K43-L100 HydrophobicContact CD-CD1 4.2Å; K43-L100 HydrophobicContact CD-CG 4.49Å; K43-L100 HydrophobicContact CG-CD1 4.05Å; K43-L100 HydrophobicContact CG-CG 4.22Å; D92-L100 PolarHBondContact OD1-N 3.09Å; D92-L100 PolarHBondContact OD2-N 3.27Å; L100-T170 WeakPolarHBondContact O-CB 3.37Å; L100-F171 HydrophobicContact CB-CB 3.88Å; L100-F171 HydrophobicContact CB-CD2 4.44Å; L100-F171 PolarHBondContact O-N 2.68Å; L100-Y174 HydrophobicContact CD1-CD2 4.2Å; L100-Y174 HydrophobicContact CD1-CE2 4.44Å; L100-Y174 HydrophobicContact CD2-CD2 4.41Å; L100-Y174 HydrophobicContact CD2-CE2 4.04Å
101L97.4Very high95.7Very high10 Ų1066.6 Ų66.65%0.05236%0.356CS..SBendtrans-81149.3172.6-73165.7000111.4E89 D92 K108 F171E89-L101 HydrophobicContact CG-CD1 4.26Å; D92-L101 HydrophobicContact CB-CD1 4.44Å; D92-L101 VanDerWaalsContact OD2-CB 3.24Å; D92-L101 WeakPolarHBondContact OD2-CB 3.27Å; D92-L101 WeakPolarHBondContact OD2-CG 3.36Å; D92-L101 PolarHBondContact OD2-N 3.05Å; L101-K108 HydrophobicContact CB-CG 4.44Å; L101-F171 HydrophobicContact CD1-CD2 4.48Å; L101-F171 HydrophobicContact CD2-CB 3.74Å; L101-F171 HydrophobicContact CD2-CD1 3.68Å; L101-F171 HydrophobicContact CD2-CD2 4.23Å; L101-F171 HydrophobicContact CD2-CE1 4.32Å; L101-F171 HydrophobicContact CD2-CG 3.63Å; L101-F171 HydrophobicContact CG-CB 3.92Å; L101-F171 HydrophobicContact CG-CD1 4.36Å; L101-F171 HydrophobicContact CG-CD2 4Å; L101-F171 HydrophobicContact CG-CG 3.85Å
102P95.9Very high95.7Very high34 Ų3471.2 Ų71.222%0.22138%0.376CS..  trans-62.9151.6173.4-22.937.1000111.9K108 Q111P102-K108 VanDerWaalsContact O-CE 3.25Å; P102-K108 WeakPolarHBondContact O-CE 3.47Å; P102-K108 WeakPolarHBondContact O-CG 3.38Å; P102-Q111 VanDerWaalsContact CD-NE2 3.31Å; P102-Q111 HydrophobicContact CG-CG 4.29Å; P102-Q111 VanDerWaalsContact CG-NE2 3.3Å
103A93.8Very high95.7Very high85 Ų8577.3 Ų77.370%0.70241%0.406SS*.SBendtrans-71.4-32.217800000113
104T96.1Very high95.8Very high81 Ų8172.2 Ų72.250%0.49738%0.382SS..SBendtrans-81.7141.4-175.864.90000111.4F106 G107 K108T104-F106 PolarHBondContact O-N 3.21Å; T104-G107 PolarHBondContact O-N 3.33Å; T104-G107 VanDerWaalsContact O-N 3.08Å; T104-G107 PolarHBondContact OG1-N 2.75Å; T104-G107 VanDerWaalsContact OG1-N 3.1Å; T104-K108 PolarHBondContact O-N 3.32Å
105P97.5Very high96Very high113 Ų11369.6 Ų69.673%0.73437%0.366SS*.Hα-helixtrans-53.8-41175.4-28.335.3000112.8K108 A109P105-K108 PolarHBondContact O-N 3.25Å; P105-A109 WeakPolarHBondContact O-CB 3.28Å; P105-A109 PolarHBondContact O-N 2.8Å
106F97.3Very high96.1Very high138 Ų13871.8 Ų71.861%0.60538%0.378SS*.Hα-helixtrans-64.1-43.9177-177.4-113.1000112.4T104 K108 A109 Q110T104-F106 PolarHBondContact O-N 3.21Å; F106-K108 VanDerWaalsContact C-N 3.34Å; F106-K108 PolarHBondContact O-N 3.5Å; F106-A109 WeakPolarHBondContact O-CB 3.46Å; F106-A109 PolarHBondContact O-N 3.11Å; F106-Q110 HydrophobicContact CD1-CG 4.29Å; F106-Q110 HydrophobicContact CE1-CG 3.93Å; F106-Q110 VanDerWaalsContact CE1-NE2 3.3Å; F106-Q110 HydrophobicContact CE2-CG 4.23Å; F106-Q110 HydrophobicContact CZ-CG 3.9Å; F106-Q110 WeakPolarHBondContact O-CG 3.47Å; F106-Q110 PolarHBondContact O-N 2.79Å
107G96.8Very high96.5Very high7 Ų771.4 Ų71.47%0.07237%0.37CS..Hα-helixtrans-62.4-40.4177.100000112.5T104 Q110 Q111T104-G107 PolarHBondContact O-N 3.33Å; T104-G107 VanDerWaalsContact O-N 3.08Å; T104-G107 PolarHBondContact OG1-N 2.75Å; T104-G107 VanDerWaalsContact OG1-N 3.1Å; G107-Q110 PolarHBondContact O-N 2.81Å; G107-Q111 PolarHBondContact O-N 3.34Å
108K97.6Very high96.8Very high65 Ų6563.9 Ų63.928%0.28334%0.335SS..Hα-helixtrans-59.7-47.7171.9-66.3-171.4177.9-169.40111.1E93 L101 P102 T104 P105 F106 Q110 Q111 K112E93-K108 IonicContact OE1-NZ 3.08Å; L101-K108 HydrophobicContact CB-CG 4.44Å; P102-K108 VanDerWaalsContact O-CE 3.25Å; P102-K108 WeakPolarHBondContact O-CE 3.47Å; P102-K108 WeakPolarHBondContact O-CG 3.38Å; T104-K108 PolarHBondContact O-N 3.32Å; P105-K108 PolarHBondContact O-N 3.25Å; F106-K108 VanDerWaalsContact C-N 3.34Å; F106-K108 PolarHBondContact O-N 3.5Å; K108-Q110 VanDerWaalsContact C-N 3.32Å; K108-Q110 PolarHBondContact O-N 3.41Å; K108-Q111 PolarHBondContact O-N 2.98Å; K108-K112 WeakPolarHBondContact O-CG 3.17Å; K108-K112 PolarHBondContact O-N 3.43Å
109A98.2Very high97Very high42 Ų4260.6 Ų60.635%0.34733%0.326SS..Hα-helixtrans-60.1-40.3178.500000112.2P105 F106 Q111 K112 M113P105-A109 WeakPolarHBondContact O-CB 3.28Å; P105-A109 PolarHBondContact O-N 2.8Å; F106-A109 WeakPolarHBondContact O-CB 3.46Å; F106-A109 PolarHBondContact O-N 3.11Å; A109-Q111 VanDerWaalsContact C-N 3.34Å; A109-Q111 PolarHBondContact O-N 2.9Å; A109-K112 PolarHBondContact O-N 3.03Å; A109-M113 VanDerWaalsContact O-CG 3.28Å; A109-M113 WeakPolarHBondContact O-CG 3.41Å; A109-M113 PolarHBondContact O-N 2.99Å
110Q97.6Very high96.9Very high58 Ų5859.5 Ų59.527%0.27132%0.321SS..Hα-helixtrans-59.6-43176-73-176.7-5400112.4F106 G107 K108 M113 M114F106-Q110 HydrophobicContact CD1-CG 4.29Å; F106-Q110 HydrophobicContact CE1-CG 3.93Å; F106-Q110 VanDerWaalsContact CE1-NE2 3.3Å; F106-Q110 HydrophobicContact CE2-CG 4.23Å; F106-Q110 HydrophobicContact CZ-CG 3.9Å; F106-Q110 WeakPolarHBondContact O-CG 3.47Å; F106-Q110 PolarHBondContact O-N 2.79Å; G107-Q110 PolarHBondContact O-N 2.81Å; K108-Q110 VanDerWaalsContact C-N 3.32Å; K108-Q110 PolarHBondContact O-N 3.41Å; Q110-M113 PolarHBondContact O-N 3.27Å; Q110-M114 PolarHBondContact O-N 3.43Å; Q110-M114 VanDerWaalsContact O-N 3.08Å
111Q98.1Very high96.7Very high10 Ų1059 Ų595%0.04732%0.319CS..Hα-helixtrans-67.9-39176.3-69.8-161.322.300112P102 G107 K108 A109 M114 L115 T170 I172P102-Q111 VanDerWaalsContact CD-NE2 3.31Å; P102-Q111 HydrophobicContact CG-CG 4.29Å; P102-Q111 VanDerWaalsContact CG-NE2 3.3Å; G107-Q111 PolarHBondContact O-N 3.34Å; K108-Q111 PolarHBondContact O-N 2.98Å; A109-Q111 VanDerWaalsContact C-N 3.34Å; A109-Q111 PolarHBondContact O-N 2.9Å; Q111-M114 PolarHBondContact O-N 3.03Å; Q111-L115 PolarHBondContact O-N 3.48Å; Q111-T170 PolarHBondContact NE2-OG1 2.5Å; Q111-T170 PolarHBondContact OE1-OG1 3.28Å; Q111-I172 HydrophobicContact CB-CB 4.07Å; Q111-I172 HydrophobicContact CB-CG2 4.47Å; Q111-I172 HydrophobicContact CG-CB 4.04Å; Q111-I172 HydrophobicContact CG-CG2 3.9Å; Q111-I172 WeakPolarHBondContact O-CD1 3.34Å
112K98.1Very high96.5Very high97 Ų9759 Ų5942%0.42232%0.32SS..Hα-helixtrans-63.7-40.9174.7-67.6-174.5-176.8-1370112.4E89 K108 A109 M114 L115 E116E89-K112 VanDerWaalsContact CD-NZ 3.27Å; E89-K112 WeakPolarHBondContact OE1-CE 3.14Å; E89-K112 IonicContact OE1-NZ 2.73Å; E89-K112 PolarHBondContact OE1-NZ 2.74Å; E89-K112 IonicContact OE2-NZ 3.73Å; E89-K112 PolarHBondContact OE2-NZ 3.39Å; K108-K112 WeakPolarHBondContact O-CG 3.17Å; K108-K112 PolarHBondContact O-N 3.43Å; A109-K112 PolarHBondContact O-N 3.03Å; K112-M114 VanDerWaalsContact C-N 3.34Å; K112-M114 PolarHBondContact O-N 3.38Å; K112-L115 WeakPolarHBondContact O-CB 3.39Å; K112-L115 PolarHBondContact O-N 3.14Å; K112-E116 PolarHBondContact O-N 3.22Å
113M97.8Very high96.3Very high135 Ų13561.1 Ų61.167%0.66533%0.333SS*.Hα-helixtrans-62.8-40.2174.8-71.317267.800112.1A109 Q110 E116 H117A109-M113 VanDerWaalsContact O-CG 3.28Å; A109-M113 WeakPolarHBondContact O-CG 3.41Å; A109-M113 PolarHBondContact O-N 2.99Å; Q110-M113 PolarHBondContact O-N 3.27Å; M113-E116 PolarHBondContact O-N 3.43Å; M113-H117 PolarHBondContact O-N 3.49Å
114M98.1Very high96.3Very high14 Ų1458.5 Ų58.57%0.06931%0.306CS..Hα-helixtrans-65.2-40.6174.21795364.700111.4Q110 Q111 K112 E116 H117 F118 L152 Y155 F164 I172 M176Q110-M114 PolarHBondContact O-N 3.43Å; Q110-M114 VanDerWaalsContact O-N 3.08Å; Q111-M114 PolarHBondContact O-N 3.03Å; K112-M114 VanDerWaalsContact C-N 3.34Å; K112-M114 PolarHBondContact O-N 3.38Å; M114-E116 VanDerWaalsContact C-N 3.32Å; M114-E116 PolarHBondContact O-N 2.89Å; M114-H117 WeakPolarHBondContact O-CB 3.32Å; M114-H117 PolarHBondContact O-N 3.12Å; M114-F118 WeakPolarHBondContact O-CB 3.24Å; M114-F118 PolarHBondContact O-N 2.9Å; M114-L152 HydrophobicContact SD-CD2 3.61Å; M114-Y155 HydrophobicContact CE-CD1 3.58Å; M114-Y155 HydrophobicContact CE-CD2 3.23Å; M114-Y155 HydrophobicContact CE-CE1 3.73Å; M114-Y155 HydrophobicContact CE-CE2 3.39Å; M114-Y155 HydrophobicContact CE-CG 3.33Å; M114-F164 HydrophobicContact CE-CD1 3.91Å; M114-F164 HydrophobicContact CE-CE1 4.18Å; M114-F164 HydrophobicContact CG-CD1 4.1Å; M114-F164 HydrophobicContact SD-CD1 3.94Å; M114-F164 HydrophobicContact SD-CE1 4.06Å; M114-I172 HydrophobicContact CB-CD1 4.03Å; M114-I172 HydrophobicContact CB-CG1 3.92Å; M114-I172 HydrophobicContact CG-CD1 3.87Å; M114-I172 HydrophobicContact CG-CG1 3.58Å; M114-M176 HydrophobicContact CG-CE 4.46Å; M114-M176 HydrophobicContact CG-SD 4.26Å
115L98.1Very high96.2Very high19 Ų1954.8 Ų54.810%0.09928%0.283CS..Hα-helixtrans-62.9-39.8176-174.855.2000112V85 Q111 K112 H117 F118 S119 I172 M175V85-L115 HydrophobicContact CB-CD2 4.35Å; V85-L115 HydrophobicContact CG1-CD2 3.6Å; V85-L115 HydrophobicContact CG2-CD2 3.74Å; Q111-L115 PolarHBondContact O-N 3.48Å; K112-L115 WeakPolarHBondContact O-CB 3.39Å; K112-L115 PolarHBondContact O-N 3.14Å; L115-H117 VanDerWaalsContact C-N 3.35Å; L115-F118 HydrophobicContact CD1-CD1 4.42Å; L115-F118 CarbonylContact O-C 3.58Å; L115-F118 PolarHBondContact O-N 3.11Å; L115-S119 WeakPolarHBondContact O-CB 3.36Å; L115-S119 PolarHBondContact O-N 3.16Å; L115-I172 HydrophobicContact CB-CD1 3.71Å; L115-I172 HydrophobicContact CD1-CD1 4.31Å; L115-M175 HydrophobicContact CD1-CB 3.8Å; L115-M175 HydrophobicContact CD2-CB 4.5Å; L115-M175 HydrophobicContact CD2-CG 4.34Å
116E97.5Very high96Very high109 Ų10953 Ų5351%0.50926%0.264SS..Hα-helixtrans-68.9-32.7175.2177.351.4-15300112.6K112 M113 M114 S119K112-E116 PolarHBondContact O-N 3.22Å; M113-E116 PolarHBondContact O-N 3.43Å; M114-E116 VanDerWaalsContact C-N 3.32Å; M114-E116 PolarHBondContact O-N 2.89Å; E116-S119 PolarHBondContact O-OG 3.45Å; E116-S119 PolarHBondContact OE2-OG 2.94Å
117H95.9Very high95.9Very high62 Ų6252 Ų5229%0.28726%0.26SS..Hα-helixtrans-64.9-45.6169.6-177.185.2000111M113 M114 L115 S119 K120 S151M113-H117 PolarHBondContact O-N 3.49Å; M114-H117 WeakPolarHBondContact O-CB 3.32Å; M114-H117 PolarHBondContact O-N 3.12Å; L115-H117 VanDerWaalsContact C-N 3.35Å; H117-S119 PolarHBondContact O-N 3.09Å; H117-K120 PolarHBondContact O-N 3.47Å; H117-S151 PolarHBondContact CE1-OG 3.22Å; H117-S151 VanDerWaalsContact CE1-OG 3.3Å; H117-S151 PolarHBondContact NE2-OG 3.13Å
118F96.7Very high95.8Very high1 Ų151.7 Ų51.70%0.00426%0.256CS..Hα-helixtrans-67.9-30178.7177.8-95.7000113.8M114 L115 K120 I121 T122 L152 M176 F179 F180M114-F118 WeakPolarHBondContact O-CB 3.24Å; M114-F118 PolarHBondContact O-N 2.9Å; L115-F118 HydrophobicContact CD1-CD1 4.42Å; L115-F118 CarbonylContact O-C 3.58Å; L115-F118 PolarHBondContact O-N 3.11Å; F118-K120 PolarHBondContact O-N 3.42Å; F118-I121 HydrophobicContact CD2-CB 4.35Å; F118-I121 HydrophobicContact CD2-CD1 3.91Å; F118-I121 HydrophobicContact CD2-CG1 4.45Å; F118-I121 HydrophobicContact CE2-CB 4.3Å; F118-I121 HydrophobicContact CE2-CD1 4.37Å; F118-I121 HydrophobicContact CE2-CG2 4.46Å; F118-I121 WeakPolarHBondContact O-CB 3.41Å; F118-I121 PolarHBondContact O-N 3.3Å; F118-T122 WeakPolarHBondContact CE1-OG1 3.41Å; F118-L152 HydrophobicContact CD2-CD1 4.42Å; F118-M176 HydrophobicContact CB-CG 4.03Å; F118-M176 HydrophobicContact CB-SD 3.79Å; F118-M176 HydrophobicContact CD1-CB 4.4Å; F118-M176 HydrophobicContact CD1-CG 3.77Å; F118-M176 HydrophobicContact CD2-CB 4.14Å; F118-M176 HydrophobicContact CD2-CG 3.73Å; F118-M176 HydrophobicContact CD2-SD 3.72Å; F118-M176 HydrophobicContact CE1-CB 4.37Å; F118-M176 HydrophobicContact CE1-CG 4.22Å; F118-M176 HydrophobicContact CE2-CB 4.12Å; F118-M176 HydrophobicContact CE2-CG 4.2Å; F118-M176 HydrophobicContact CG-CB 4.31Å; F118-M176 HydrophobicContact CG-CG 3.52Å; F118-M176 HydrophobicContact CG-SD 3.75Å; F118-M176 HydrophobicContact CZ-CB 4.25Å; F118-M176 HydrophobicContact CZ-CG 4.43Å; F118-F179 AromaticContact CE1-CD2 3.61Å; F118-F179 HydrophobicContact CE1-CD2 3.61Å; F118-F179 HydrophobicContact CE1-CE2 4.15Å; F118-F179 HydrophobicContact CE1-CG 4.23Å; F118-F179 HydrophobicContact CZ-CB 3.73Å; F118-F179 AromaticContact CZ-CD2 3.64Å; F118-F179 HydrophobicContact CZ-CD2 3.64Å; F118-F179 AromaticContact CZ-CG 3.86Å; F118-F179 HydrophobicContact CZ-CG 3.86Å; F118-F180 HydrophobicContact CD2-CE2 4.17Å; F118-F180 HydrophobicContact CE2-CD2 4.2Å; F118-F180 AromaticContact CE2-CE2 3.58Å; F118-F180 HydrophobicContact CE2-CE2 3.58Å; F118-F180 HydrophobicContact CE2-CZ 4.38Å; F118-F180 HydrophobicContact CZ-CE2 4.47Å
119S94.9Very high95.5Very high45 Ų4549.3 Ų49.332%0.31525%0.248SC..Hα-helixtrans-56-28-179.876.40000111.9L115 E116 H117 I121 P123L115-S119 WeakPolarHBondContact O-CB 3.36Å; L115-S119 PolarHBondContact O-N 3.16Å; E116-S119 PolarHBondContact O-OG 3.45Å; E116-S119 PolarHBondContact OE2-OG 2.94Å; H117-S119 PolarHBondContact O-N 3.09Å; S119-I121 VanDerWaalsContact C-N 3.29Å; S119-I121 PolarHBondContact O-N 2.83Å; S119-P123 WeakPolarHBondContact O-CD 3.37Å
120K93.5Very high95.2Very high113 Ų11349.2 Ų49.249%0.49125%0.245SC..THydrogen-bonded Turntrans-78.6-4.6177.4-57.4170.8-172.4174.90114.5H117 F118 H124 K148H117-K120 PolarHBondContact O-N 3.47Å; F118-K120 PolarHBondContact O-N 3.42Å; K120-H124 PolarHBondContact O-ND1 3.34Å; K120-K148 PolarHBondContact O-NZ 3.41Å
121I94.9Very high95.1Very high1 Ų147 Ų471%0.00524%0.237CC..THydrogen-bonded Turntrans-96.6-36.3176.6-53.9-175.4000110.2F118 S119 H124 L125 L145 K148 F149 L152F118-I121 HydrophobicContact CD2-CB 4.35Å; F118-I121 HydrophobicContact CD2-CD1 3.91Å; F118-I121 HydrophobicContact CD2-CG1 4.45Å; F118-I121 HydrophobicContact CE2-CB 4.3Å; F118-I121 HydrophobicContact CE2-CD1 4.37Å; F118-I121 HydrophobicContact CE2-CG2 4.46Å; F118-I121 WeakPolarHBondContact O-CB 3.41Å; F118-I121 PolarHBondContact O-N 3.3Å; S119-I121 VanDerWaalsContact C-N 3.29Å; S119-I121 PolarHBondContact O-N 2.83Å; I121-H124 WeakPolarHBondContact O-CB 3.31Å; I121-H124 PolarHBondContact O-N 3.23Å; I121-L125 HydrophobicContact CG2-CG 4.47Å; I121-L125 PolarHBondContact O-N 3.39Å; I121-L145 HydrophobicContact CG2-CD1 3.73Å; I121-K148 HydrophobicContact CD1-CB 4.03Å; I121-K148 HydrophobicContact CG1-CB 3.99Å; I121-K148 HydrophobicContact CG1-CD 4.13Å; I121-K148 HydrophobicContact CG1-CG 4.38Å; I121-F149 HydrophobicContact CD1-CD1 4.45Å; I121-F149 HydrophobicContact CG2-CE1 3.95Å; I121-L152 HydrophobicContact CD1-CD1 3.55Å; I121-L152 HydrophobicContact CD1-CG 4.11Å
122T92Very high94.8Very high11 Ų1150.5 Ų50.57%0.06725%0.249CC..Hα-helixtrans-56.8-48.9-175-65.70000112.9F32 F118 H124 L125 F126 F179F32-T122 HydrophobicContact CE1-CG2 4.45Å; F32-T122 HydrophobicContact CZ-CG2 3.97Å; F118-T122 WeakPolarHBondContact CE1-OG1 3.41Å; T122-H124 VanDerWaalsContact C-N 3.29Å; T122-H124 PolarHBondContact O-N 3.21Å; T122-L125 PolarHBondContact O-N 2.93Å; T122-F126 HydrophobicContact CG2-CD2 4.16Å; T122-F126 HydrophobicContact CG2-CE2 3.67Å; T122-F126 WeakPolarHBondContact O-CD2 3.24Å; T122-F179 HydrophobicContact CG2-CD1 3.93Å; T122-F179 HydrophobicContact CG2-CE1 3.28Å; T122-F179 HydrophobicContact CG2-CE2 4.37Å; T122-F179 HydrophobicContact CG2-CZ 3.54Å
123P92.3Very high94.3Very high77 Ų7752.5 Ų52.550%0.525%0.254SS..Hα-helixtrans-62.1-33.5175.7-23.834.3000113.7S119 L125 F126 K127S119-P123 WeakPolarHBondContact O-CD 3.37Å; P123-L125 PolarHBondContact O-N 3.06Å; P123-F126 PolarHBondContact O-N 3Å; P123-K127 WeakPolarHBondContact O-CB 3.41Å; P123-K127 PolarHBondContact O-N 3.44Å
124H93.3Very high94.1Very high31 Ų3153.3 Ų53.314%0.14425%0.254CS..Hα-helixtrans-62.2-42.3178.4-85.660.9000111.7K120 I121 T122 F126 K127 I128 E144 K148K120-H124 PolarHBondContact O-ND1 3.34Å; I121-H124 WeakPolarHBondContact O-CB 3.31Å; I121-H124 PolarHBondContact O-N 3.23Å; T122-H124 VanDerWaalsContact C-N 3.29Å; T122-H124 PolarHBondContact O-N 3.21Å; H124-F126 PolarHBondContact O-N 3.35Å; H124-K127 PolarHBondContact O-N 3.09Å; H124-I128 WeakPolarHBondContact O-CG1 3.26Å; H124-I128 PolarHBondContact O-N 3.27Å; H124-E144 IonicContact CD2-OE2 2.82Å; H124-E144 IonicContact CE1-OE2 3.81Å; H124-E144 IonicContact NE2-OE2 2.93Å; H124-E144 PolarHBondContact NE2-OE2 2.97Å; H124-K148 VanDerWaalsContact CE1-CE 3.49Å; H124-K148 WeakPolarHBondContact CE1-CE 3.35Å; H124-K148 WeakPolarHBondContact NE2-CE 3.18Å
125L94.5Very high93.8Very high2 Ų255.9 Ų55.91%0.0128%0.284CS..Hα-helixtrans-59.6-46.6176.9-62.2176.4000111.8I121 T122 P123 I128 S129 L145 F179 L183 F186 V188I121-L125 HydrophobicContact CG2-CG 4.47Å; I121-L125 PolarHBondContact O-N 3.39Å; T122-L125 PolarHBondContact O-N 2.93Å; P123-L125 PolarHBondContact O-N 3.06Å; L125-I128 PolarHBondContact O-N 3.12Å; L125-S129 WeakPolarHBondContact O-CB 3.4Å; L125-S129 PolarHBondContact O-N 3.39Å; L125-S129 VanDerWaalsContact O-N 3.08Å; L125-L145 HydrophobicContact CD2-CD1 4.01Å; L125-L145 HydrophobicContact CD2-CD2 3.83Å; L125-F179 HydrophobicContact CD1-CB 3.82Å; L125-F179 HydrophobicContact CD1-CD1 4.17Å; L125-F179 HydrophobicContact CD1-CG 4.41Å; L125-L183 HydrophobicContact CD1-CD2 4.26Å; L125-L183 HydrophobicContact CD2-CD2 3.62Å; L125-F186 HydrophobicContact CB-CD2 3.99Å; L125-F186 HydrophobicContact CB-CE2 3.93Å; L125-F186 HydrophobicContact CB-CG 4.45Å; L125-F186 HydrophobicContact CB-CZ 4.31Å; L125-F186 HydrophobicContact CD1-CD2 4.29Å; L125-F186 HydrophobicContact CD1-CE2 4.09Å; L125-F186 HydrophobicContact CD2-CD2 4.41Å; L125-F186 HydrophobicContact CG-CD2 4.46Å; L125-V188 HydrophobicContact CD2-CG2 3.91Å
126F92.8Very high93.8Very high76 Ų7659.1 Ų59.133%0.33330%0.302SS..Hα-helixtrans-66.5-37.3177.1-67.4-64.6000112.5P31 F32 T122 P123 H124 S129 S130 F179 F186P31-F126 HydrophobicContact CG-CZ 4.49Å; F32-F126 HydrophobicContact CE2-CE2 4.48Å; T122-F126 HydrophobicContact CG2-CD2 4.16Å; T122-F126 HydrophobicContact CG2-CE2 3.67Å; T122-F126 WeakPolarHBondContact O-CD2 3.24Å; P123-F126 PolarHBondContact O-N 3Å; H124-F126 PolarHBondContact O-N 3.35Å; F126-S129 PolarHBondContact O-N 2.85Å; F126-S130 VanDerWaalsContact O-CB 3.31Å; F126-S130 WeakPolarHBondContact O-CB 3.41Å; F126-S130 PolarHBondContact O-N 3.08Å; F126-F179 HydrophobicContact CE2-CE1 4.02Å; F126-F179 HydrophobicContact CZ-CE1 4.13Å; F126-F186 HydrophobicContact CD1-CE1 4.17Å; F126-F186 HydrophobicContact CD1-CZ 4.23Å; F126-F186 HydrophobicContact CE1-CE1 4.29Å; F126-F186 HydrophobicContact CE1-CZ 4.01Å
127K94.8Very high93.7Very high117 Ų11760.2 Ų60.251%0.50931%0.311SS..Hα-helixtrans-63.4-47.3177.3-171.6179.5176.4-170.70111.3P123 H124 S130 A131 L141P123-K127 WeakPolarHBondContact O-CB 3.41Å; P123-K127 PolarHBondContact O-N 3.44Å; H124-K127 PolarHBondContact O-N 3.09Å; K127-S130 PolarHBondContact O-N 3.29Å; K127-A131 WeakPolarHBondContact O-CB 3.29Å; K127-A131 PolarHBondContact O-N 3.18Å; K127-L141 HydrophobicContact CD-CD1 4.3Å; K127-L141 HydrophobicContact CD-CD2 3.77Å; K127-L141 HydrophobicContact CG-CD1 4.01Å; K127-L141 HydrophobicContact CG-CD2 4.38Å
128I95.4Very high93.8Very high0 Ų057.9 Ų57.90%030%0.301CS..Hα-helixtrans-59.1-50.3176.2-68.4163.6000110.5H124 L125 S130 A131 R132 V138 L141 L145 V188H124-I128 WeakPolarHBondContact O-CG1 3.26Å; H124-I128 PolarHBondContact O-N 3.27Å; L125-I128 PolarHBondContact O-N 3.12Å; I128-S130 VanDerWaalsContact C-N 3.28Å; I128-S130 PolarHBondContact O-N 2.6Å; I128-A131 PolarHBondContact O-N 3.2Å; I128-R132 WeakPolarHBondContact O-CB 3.4Å; I128-R132 PolarHBondContact O-N 2.97Å; I128-V138 HydrophobicContact CG2-CB 4.25Å; I128-V138 HydrophobicContact CG2-CG1 4.29Å; I128-V138 HydrophobicContact CG2-CG2 4.48Å; I128-L141 HydrophobicContact CD1-CB 4.12Å; I128-L141 HydrophobicContact CG1-CB 3.5Å; I128-L141 VanDerWaalsContact CG1-CB 3.5Å; I128-L141 HydrophobicContact CG1-CD1 4.05Å; I128-L141 HydrophobicContact CG1-CG 4.4Å; I128-L145 HydrophobicContact CD1-CB 4.15Å; I128-L145 HydrophobicContact CD1-CD2 3.76Å; I128-V188 HydrophobicContact CB-CG1 4.48Å; I128-V188 HydrophobicContact CD1-CG1 4.11Å; I128-V188 HydrophobicContact CG2-CG1 3.65Å
129S92.1Very high93.8Very high15 Ų1561 Ų6111%0.10532%0.323CS..Hα-helixtrans-58.1-39.9178.8-175.90000112.7L125 F126 R133L125-S129 WeakPolarHBondContact O-CB 3.4Å; L125-S129 PolarHBondContact O-N 3.39Å; L125-S129 VanDerWaalsContact O-N 3.08Å; F126-S129 PolarHBondContact O-N 2.85Å; S129-R133 WeakPolarHBondContact O-CG 3.33Å; S129-R133 PolarHBondContact O-N 3.42Å; S129-R133 PolarHBondContact O-NH1 3.47Å; S129-R133 PolarHBondContact OG-NH1 3.05Å
130S91.8Very high93.9Very high41 Ų4160.9 Ų60.929%0.28733%0.329SS..Hα-helixtrans-69.5-47178.1-168.60000112.7F126 K127 I128 R132 R133 K134F126-S130 VanDerWaalsContact O-CB 3.31Å; F126-S130 WeakPolarHBondContact O-CB 3.41Å; F126-S130 PolarHBondContact O-N 3.08Å; K127-S130 PolarHBondContact O-N 3.29Å; I128-S130 VanDerWaalsContact C-N 3.28Å; I128-S130 PolarHBondContact O-N 2.6Å; S130-R132 VanDerWaalsContact C-N 3.35Å; S130-R132 PolarHBondContact O-N 3.33Å; S130-R133 PolarHBondContact O-N 2.85Å; S130-K134 WeakPolarHBondContact O-CG 3.42Å; S130-K134 PolarHBondContact O-N 2.8Å
131A94.5Very high94.1Very high12 Ų1256.5 Ų56.510%0.09931%0.311CS..Hα-helixtrans-59.3-45.9177.500000111.1K127 I128 R133 K134 G135 D136 V138 L141K127-A131 WeakPolarHBondContact O-CB 3.29Å; K127-A131 PolarHBondContact O-N 3.18Å; I128-A131 PolarHBondContact O-N 3.2Å; A131-R133 PolarHBondContact O-N 3.48Å; A131-K134 WeakPolarHBondContact O-CA 3.46Å; A131-K134 WeakPolarHBondContact O-CB 3.46Å; A131-K134 PolarHBondContact O-N 3.32Å; A131-G135 PolarHBondContact O-N 3.39Å; A131-D136 HydrophobicContact CB-CB 4.03Å; A131-D136 WeakPolarHBondContact O-CB 3.47Å; A131-D136 PolarHBondContact O-N 3.13Å; A131-V138 HydrophobicContact CB-CG1 3.7Å; A131-L141 HydrophobicContact CB-CD1 4.21Å
132R92.2Very high94.2Very high83 Ų8357.6 Ų57.631%0.31332%0.316SS..Hα-helixtrans-61.1-41178.1-165.5-179.9-77.4-128.3-0.9112.9I128 S130 K134 G135 V138 E142 E187I128-R132 WeakPolarHBondContact O-CB 3.4Å; I128-R132 PolarHBondContact O-N 2.97Å; S130-R132 VanDerWaalsContact C-N 3.35Å; S130-R132 PolarHBondContact O-N 3.33Å; R132-K134 PolarHBondContact O-N 3.2Å; R132-G135 PolarHBondContact O-N 3.15Å; R132-V138 HydrophobicContact CB-CG1 4.22Å; R132-E142 IonicContact NH2-OE1 3.81Å; R132-E142 PolarHBondContact NH2-OE1 3.42Å; R132-E187 WeakPolarHBondContact CD-OE2 3.49Å; R132-E187 IonicContact CZ-OE2 3.59Å; R132-E187 IonicContact NE-OE2 3.53Å; R132-E187 IonicContact NH1-OE1 2.73Å; R132-E187 IonicContact NH1-OE2 2.78Å; R132-E187 PolarHBondContact NH1-OE2 3.45Å; R132-E187 PolarHBondContact NH2-O 3.05Å
133R87.8Confident94.5Very high138 Ų13859.5 Ų59.552%0.52133%0.333SS..Hα-helixtrans-62.6-26.4174.1-77.7-166.6-57.7-84-2.8113.6S129 S130 A131 G135S129-R133 WeakPolarHBondContact O-CG 3.33Å; S129-R133 PolarHBondContact O-N 3.42Å; S129-R133 PolarHBondContact O-NH1 3.47Å; S129-R133 PolarHBondContact OG-NH1 3.05Å; S130-R133 PolarHBondContact O-N 2.85Å; A131-R133 PolarHBondContact O-N 3.48Å; R133-G135 VanDerWaalsContact C-N 3.31Å
134K92.2Very high94.7Very high152 Ų15260.3 Ų60.366%0.66133%0.33SS*.Hα-helixtrans-84.6-7.1175.6-66.4174.9-178.3-176.30112.9S130 A131 R132 D136S130-K134 WeakPolarHBondContact O-CG 3.42Å; S130-K134 PolarHBondContact O-N 2.8Å; A131-K134 WeakPolarHBondContact O-CA 3.46Å; A131-K134 WeakPolarHBondContact O-CB 3.46Å; A131-K134 PolarHBondContact O-N 3.32Å; R132-K134 PolarHBondContact O-N 3.2Å; K134-D136 VanDerWaalsContact C-N 3.33Å
135G93.6Very high94.9Very high69 Ų6958.8 Ų58.871%0.71132%0.323SS*.THydrogen-bonded Turntrans78.816.4-173.600000113.6A131 R132 R133A131-G135 PolarHBondContact O-N 3.39Å; R132-G135 PolarHBondContact O-N 3.15Å; R133-G135 VanDerWaalsContact C-N 3.31Å
136D96.6Very high95.1Very high86 Ų8662.1 Ų62.146%0.4634%0.337SS..  trans-75.6151.9178.5-57.9-30.6000110.8A131 K134 V138A131-D136 HydrophobicContact CB-CB 4.03Å; A131-D136 WeakPolarHBondContact O-CB 3.47Å; A131-D136 PolarHBondContact O-N 3.13Å; K134-D136 VanDerWaalsContact C-N 3.33Å; D136-V138 PolarHBondContact O-N 2.92Å
137D96.4Very high95.3Very high132 Ų13264.8 Ų64.871%0.70635%0.35SS*.  trans-67.4128168.4179.123.1000110.6S139D137-S139 VanDerWaalsContact CG-OG 3.29Å; D137-S139 VanDerWaalsContact OD1-CB 3.23Å; D137-S139 WeakPolarHBondContact OD1-CB 3.35Å; D137-S139 PolarHBondContact OD1-N 3.05Å; D137-S139 PolarHBondContact OD1-OG 2.86Å; D137-S139 VanDerWaalsContact OD1-OG 3.14Å; D137-S139 PolarHBondContact OD2-OG 2.71Å
138V97.3Very high95.5Very high13 Ų1361.4 Ų61.48%0.07934%0.336CS..  trans-108.41.9-180-61.30000113.3I128 A131 R132 D136 G140 L141 E142I128-V138 HydrophobicContact CG2-CB 4.25Å; I128-V138 HydrophobicContact CG2-CG1 4.29Å; I128-V138 HydrophobicContact CG2-CG2 4.48Å; A131-V138 HydrophobicContact CB-CG1 3.7Å; R132-V138 HydrophobicContact CB-CG1 4.22Å; D136-V138 PolarHBondContact O-N 2.92Å; V138-G140 VanDerWaalsContact C-N 3.32Å; V138-G140 PolarHBondContact O-N 3.03Å; V138-L141 WeakPolarHBondContact O-CB 3.4Å; V138-L141 PolarHBondContact O-N 2.92Å; V138-E142 HydrophobicContact CG2-CG 4.22Å; V138-E142 PolarHBondContact O-N 3.31Å
139S96.9Very high95.6Very high67 Ų6761.5 Ų61.547%0.46934%0.336SS..Hα-helixtrans-51.9-46.2-175.1660000113.3D137 E142 A143D137-S139 VanDerWaalsContact CG-OG 3.29Å; D137-S139 VanDerWaalsContact OD1-CB 3.23Å; D137-S139 WeakPolarHBondContact OD1-CB 3.35Å; D137-S139 PolarHBondContact OD1-N 3.05Å; D137-S139 PolarHBondContact OD1-OG 2.86Å; D137-S139 VanDerWaalsContact OD1-OG 3.14Å; D137-S139 PolarHBondContact OD2-OG 2.71Å; S139-E142 PolarHBondContact O-N 3.2Å; S139-A143 PolarHBondContact O-N 2.84Å
140G97.5Very high95.9Very high42 Ų4262.2 Ų62.243%0.43334%0.34SS..Hα-helixtrans-65.4-39.1176.400000113.4V138 A143 E144V138-G140 VanDerWaalsContact C-N 3.32Å; V138-G140 PolarHBondContact O-N 3.03Å; G140-A143 PolarHBondContact O-N 3.42Å; G140-E144 WeakPolarHBondContact O-CG 3.48Å; G140-E144 PolarHBondContact O-N 3.32Å
141L97.1Very high96.2Very high21 Ų2162.5 Ų62.511%0.1134%0.342CS..Hα-helixtrans-68.8-37.1176.9-62.3174.9000111.9K127 I128 A131 V138 E144 L145K127-L141 HydrophobicContact CD-CD1 4.3Å; K127-L141 HydrophobicContact CD-CD2 3.77Å; K127-L141 HydrophobicContact CG-CD1 4.01Å; K127-L141 HydrophobicContact CG-CD2 4.38Å; I128-L141 HydrophobicContact CD1-CB 4.12Å; I128-L141 HydrophobicContact CG1-CB 3.5Å; I128-L141 VanDerWaalsContact CG1-CB 3.5Å; I128-L141 HydrophobicContact CG1-CD1 4.05Å; I128-L141 HydrophobicContact CG1-CG 4.4Å; A131-L141 HydrophobicContact CB-CD1 4.21Å; V138-L141 WeakPolarHBondContact O-CB 3.4Å; V138-L141 PolarHBondContact O-N 2.92Å; L141-E144 PolarHBondContact O-N 3.16Å; L141-L145 WeakPolarHBondContact O-CB 3.11Å; L141-L145 PolarHBondContact O-N 3.24Å
142E97.4Very high96.4Very high25 Ų2562 Ų6212%0.11734%0.337CS..Hα-helixtrans-67-39.2173.8-72.3-171.8-176.300111.3R132 V138 S139 L145 K146 V188 H190R132-E142 IonicContact NH2-OE1 3.81Å; R132-E142 PolarHBondContact NH2-OE1 3.42Å; V138-E142 HydrophobicContact CG2-CG 4.22Å; V138-E142 PolarHBondContact O-N 3.31Å; S139-E142 PolarHBondContact O-N 3.2Å; E142-L145 PolarHBondContact O-N 3.03Å; E142-K146 WeakPolarHBondContact O-CB 3.35Å; E142-K146 VanDerWaalsContact O-CG 3.25Å; E142-K146 WeakPolarHBondContact O-CG 3.47Å; E142-K146 PolarHBondContact O-N 2.64Å; E142-V188 HydrophobicContact CG-CG1 4.46Å; E142-H190 IonicContact OE1-CE1 3.88Å; E142-H190 IonicContact OE1-NE2 3.83Å; E142-H190 IonicContact OE2-CD2 3.49Å; E142-H190 IonicContact OE2-CE1 2.71Å; E142-H190 IonicContact OE2-NE2 2.68Å; E142-H190 PolarHBondContact OE2-NE2 3.33Å
143A97.8Very high96.7Very high51 Ų5158.8 Ų58.842%0.42133%0.327SS..Hα-helixtrans-59.7-47.117300000111.4S139 G140 L145 K146 E147S139-A143 PolarHBondContact O-N 2.84Å; G140-A143 PolarHBondContact O-N 3.42Å; A143-L145 VanDerWaalsContact C-N 3.31Å; A143-L145 PolarHBondContact O-N 2.97Å; A143-K146 WeakPolarHBondContact O-CB 3.38Å; A143-K146 PolarHBondContact O-N 3.03Å; A143-E147 PolarHBondContact O-N 2.94Å; A143-E147 VanDerWaalsContact O-N 3.09Å
144E97.1Very high97.2Very high93 Ų9357.8 Ų57.844%0.43533%0.328SS..Hα-helixtrans-61.4-37.4174.8-71.7178.2-159.200112.8H124 G140 L141 E147 K148H124-E144 IonicContact CD2-OE2 2.82Å; H124-E144 IonicContact CE1-OE2 3.81Å; H124-E144 IonicContact NE2-OE2 2.93Å; H124-E144 PolarHBondContact NE2-OE2 2.97Å; G140-E144 WeakPolarHBondContact O-CG 3.48Å; G140-E144 PolarHBondContact O-N 3.32Å; L141-E144 PolarHBondContact O-N 3.16Å; E144-E147 PolarHBondContact O-N 3.25Å; E144-K148 WeakPolarHBondContact O-CG 3.39Å; E144-K148 PolarHBondContact O-N 3.24Å; E144-K148 VanDerWaalsContact O-N 3.14Å
145L97.8Very high97.4Very high0 Ų053.3 Ų53.30%031%0.307CS..Hα-helixtrans-66.4-41.7176.1-178.462.3000111.5I121 L125 I128 L141 E142 A143 E147 K148 F149 V188 C191I121-L145 HydrophobicContact CG2-CD1 3.73Å; L125-L145 HydrophobicContact CD2-CD1 4.01Å; L125-L145 HydrophobicContact CD2-CD2 3.83Å; I128-L145 HydrophobicContact CD1-CB 4.15Å; I128-L145 HydrophobicContact CD1-CD2 3.76Å; L141-L145 WeakPolarHBondContact O-CB 3.11Å; L141-L145 PolarHBondContact O-N 3.24Å; E142-L145 PolarHBondContact O-N 3.03Å; A143-L145 VanDerWaalsContact C-N 3.31Å; A143-L145 PolarHBondContact O-N 2.97Å; L145-E147 VanDerWaalsContact C-N 3.32Å; L145-E147 PolarHBondContact O-N 3.49Å; L145-K148 WeakPolarHBondContact O-CB 3.48Å; L145-K148 PolarHBondContact O-N 3.48Å; L145-F149 HydrophobicContact CD1-CD1 4.34Å; L145-F149 HydrophobicContact CD1-CD2 4.45Å; L145-F149 HydrophobicContact CD1-CE1 3.86Å; L145-F149 HydrophobicContact CD1-CE2 3.99Å; L145-F149 HydrophobicContact CD1-CZ 3.66Å; L145-F149 HydrophobicContact CD2-CE2 3.98Å; L145-F149 HydrophobicContact CD2-CZ 4.21Å; L145-F149 HydrophobicContact CG-CD2 4.13Å; L145-F149 HydrophobicContact CG-CE2 3.77Å; L145-F149 HydrophobicContact CG-CZ 3.98Å; L145-F149 PolarHBondContact O-N 3.24Å; L145-V188 HydrophobicContact CD2-CB 3.83Å; L145-V188 HydrophobicContact CD2-CG1 4.12Å; L145-V188 HydrophobicContact CD2-CG2 3.91Å; L145-C191 HydrophobicContact CD2-CB 4.15Å; L145-C191 HydrophobicContact CG-CB 4.39Å
146K98.3Very high97.7Very high72 Ų7250.2 Ų50.231%0.31327%0.274SS..Hα-helixtrans-59.6-42.3176.2-73.8176.4179.8176.70111.4E142 A143 F149 T150 C191 H194E142-K146 WeakPolarHBondContact O-CB 3.35Å; E142-K146 VanDerWaalsContact O-CG 3.25Å; E142-K146 WeakPolarHBondContact O-CG 3.47Å; E142-K146 PolarHBondContact O-N 2.64Å; A143-K146 WeakPolarHBondContact O-CB 3.38Å; A143-K146 PolarHBondContact O-N 3.03Å; K146-F149 PolarHBondContact O-N 3.01Å; K146-T150 PolarHBondContact O-N 2.85Å; K146-T150 PolarHBondContact O-OG1 2.96Å; K146-C191 HydrophobicContact CG-CB 3.88Å; K146-H194 WeakPolarHBondContact CB-CE1 3.33Å; K146-H194 VanDerWaalsContact CG-CE1 3.49Å; K146-H194 WeakPolarHBondContact CG-CE1 3.48Å; K146-H194 PolarHBondContact O-NE2 3.4Å
147E97.8Very high97.8Very high131 Ų13149.8 Ų49.861%0.61228%0.275SS*.Hα-helixtrans-63-41.6174.6-68.1-52.213200112.6A143 E144 L145 F149 T150 S151A143-E147 PolarHBondContact O-N 2.94Å; A143-E147 VanDerWaalsContact O-N 3.09Å; E144-E147 PolarHBondContact O-N 3.25Å; L145-E147 VanDerWaalsContact C-N 3.32Å; L145-E147 PolarHBondContact O-N 3.49Å; E147-F149 VanDerWaalsContact C-N 3.34Å; E147-F149 PolarHBondContact O-N 3.17Å; E147-T150 WeakPolarHBondContact O-CB 3.25Å; E147-T150 PolarHBondContact O-N 2.91Å; E147-S151 PolarHBondContact O-N 2.95Å; E147-S151 VanDerWaalsContact O-N 3.08Å
148K97.3Very high97.8Very high47 Ų4752.2 Ų52.220%0.20428%0.279CS..Hα-helixtrans-62.6-41.2175-69164.1-172.2-76.70111.7K120 I121 H124 E144 L145 S151 L152K120-K148 PolarHBondContact O-NZ 3.41Å; I121-K148 HydrophobicContact CD1-CB 4.03Å; I121-K148 HydrophobicContact CG1-CB 3.99Å; I121-K148 HydrophobicContact CG1-CD 4.13Å; I121-K148 HydrophobicContact CG1-CG 4.38Å; H124-K148 VanDerWaalsContact CE1-CE 3.49Å; H124-K148 WeakPolarHBondContact CE1-CE 3.35Å; H124-K148 WeakPolarHBondContact NE2-CE 3.18Å; E144-K148 WeakPolarHBondContact O-CG 3.39Å; E144-K148 PolarHBondContact O-N 3.24Å; E144-K148 VanDerWaalsContact O-N 3.14Å; L145-K148 WeakPolarHBondContact O-CB 3.48Å; L145-K148 PolarHBondContact O-N 3.48Å; K148-S151 PolarHBondContact O-N 2.92Å; K148-L152 PolarHBondContact O-N 2.83Å
149F98.4Very high97.8Very high1 Ų156.5 Ų56.50%0.00429%0.294CS..Hα-helixtrans-68.7-34.6175.1-70.6-18.4000112.7I121 L145 K146 E147 S151 L152 N153 F180 L183 C191 L192 T195 L198I121-F149 HydrophobicContact CD1-CD1 4.45Å; I121-F149 HydrophobicContact CG2-CE1 3.95Å; L145-F149 HydrophobicContact CD1-CD1 4.34Å; L145-F149 HydrophobicContact CD1-CD2 4.45Å; L145-F149 HydrophobicContact CD1-CE1 3.86Å; L145-F149 HydrophobicContact CD1-CE2 3.99Å; L145-F149 HydrophobicContact CD1-CZ 3.66Å; L145-F149 HydrophobicContact CD2-CE2 3.98Å; L145-F149 HydrophobicContact CD2-CZ 4.21Å; L145-F149 HydrophobicContact CG-CD2 4.13Å; L145-F149 HydrophobicContact CG-CE2 3.77Å; L145-F149 HydrophobicContact CG-CZ 3.98Å; L145-F149 PolarHBondContact O-N 3.24Å; K146-F149 PolarHBondContact O-N 3.01Å; E147-F149 VanDerWaalsContact C-N 3.34Å; E147-F149 PolarHBondContact O-N 3.17Å; F149-S151 VanDerWaalsContact C-N 3.31Å; F149-S151 PolarHBondContact O-N 2.83Å; F149-L152 HydrophobicContact CD1-CD1 4.32Å; F149-L152 PolarHBondContact O-N 3.24Å; F149-N153 WeakPolarHBondContact O-CB 3.24Å; F149-N153 PolarHBondContact O-N 3.23Å; F149-F180 HydrophobicContact CD1-CE1 4.37Å; F149-F180 HydrophobicContact CD1-CZ 4.42Å; F149-F180 AromaticContact CE1-CE1 3.9Å; F149-F180 HydrophobicContact CE1-CE1 3.9Å; F149-F180 HydrophobicContact CE1-CZ 4.02Å; F149-F180 HydrophobicContact CZ-CE1 4.29Å; F149-L183 HydrophobicContact CE2-CD1 4.3Å; F149-L183 HydrophobicContact CE2-CD2 4.35Å; F149-L183 HydrophobicContact CZ-CD1 4.06Å; F149-L183 HydrophobicContact CZ-CD2 3.78Å; F149-C191 HydrophobicContact CD2-CB 3.95Å; F149-C191 WeakPolarHBondContact CD2-O 3.44Å; F149-C191 HydrophobicContact CE2-CB 3.93Å; F149-L192 HydrophobicContact CB-CD2 4.48Å; F149-L192 HydrophobicContact CD2-CD2 3.58Å; F149-L192 HydrophobicContact CD2-CG 4.24Å; F149-L192 HydrophobicContact CE2-CD2 3.76Å; F149-L192 HydrophobicContact CE2-CG 4.16Å; F149-L192 HydrophobicContact CG-CD2 3.98Å; F149-L192 HydrophobicContact CZ-CD2 4.31Å; F149-T195 HydrophobicContact CB-CG2 4.03Å; F149-L198 HydrophobicContact CB-CD2 3.89Å; F149-L198 HydrophobicContact CD1-CD2 4.13Å; F149-L198 HydrophobicContact CG-CD2 4.09Å
150T98.4Very high97.8Very high30 Ų3062.1 Ų62.118%0.18431%0.31CS..Hα-helixtrans-56.2-47.2170.6-60.20000110.6K146 E147 L152 N153 E154 H194K146-T150 PolarHBondContact O-N 2.85Å; K146-T150 PolarHBondContact O-OG1 2.96Å; E147-T150 WeakPolarHBondContact O-CB 3.25Å; E147-T150 PolarHBondContact O-N 2.91Å; T150-L152 PolarHBondContact O-N 2.96Å; T150-N153 WeakPolarHBondContact O-CB 3.31Å; T150-N153 PolarHBondContact O-N 3.31Å; T150-N153 VanDerWaalsContact O-N 3.12Å; T150-E154 HydrophobicContact CG2-CG 4.31Å; T150-E154 WeakPolarHBondContact O-CG 3.47Å; T150-E154 PolarHBondContact O-N 3.23Å; T150-H194 PolarHBondContact OG1-CD2 3.19Å; T150-H194 PolarHBondContact OG1-NE2 2.73Å
151S97.9Very high97.8Very high47 Ų4761.2 Ų61.233%0.32930%0.296SS..Hα-helixtrans-60.5-41.3178.9-167.40000113.1H117 E147 K148 F149 Y155H117-S151 PolarHBondContact CE1-OG 3.22Å; H117-S151 VanDerWaalsContact CE1-OG 3.3Å; H117-S151 PolarHBondContact NE2-OG 3.13Å; E147-S151 PolarHBondContact O-N 2.95Å; E147-S151 VanDerWaalsContact O-N 3.08Å; K148-S151 PolarHBondContact O-N 2.92Å; F149-S151 VanDerWaalsContact C-N 3.31Å; F149-S151 PolarHBondContact O-N 2.83Å; S151-Y155 PolarHBondContact O-N 3.07Å; S151-Y155 VanDerWaalsContact O-N 3.08Å
152L98.3Very high97.8Very high1 Ų165.4 Ų65.41%0.00531%0.313CS..Hα-helixtrans-65.8-39.8174.2-69.4-176.4000112.7M114 F118 I121 K148 F149 T150 Y155 L156 F164 F180 L198M114-L152 HydrophobicContact SD-CD2 3.61Å; F118-L152 HydrophobicContact CD2-CD1 4.42Å; I121-L152 HydrophobicContact CD1-CD1 3.55Å; I121-L152 HydrophobicContact CD1-CG 4.11Å; K148-L152 PolarHBondContact O-N 2.83Å; F149-L152 HydrophobicContact CD1-CD1 4.32Å; F149-L152 PolarHBondContact O-N 3.24Å; T150-L152 PolarHBondContact O-N 2.96Å; L152-Y155 WeakPolarHBondContact O-CB 3.45Å; L152-Y155 PolarHBondContact O-N 3.43Å; L152-L156 PolarHBondContact O-N 2.96Å; L152-F164 HydrophobicContact CB-CE1 4.28Å; L152-F164 HydrophobicContact CB-CZ 4.11Å; L152-F164 HydrophobicContact CD2-CE1 3.96Å; L152-F164 HydrophobicContact CD2-CZ 4.26Å; L152-F180 HydrophobicContact CD1-CE2 4.36Å; L152-F180 HydrophobicContact CD1-CZ 3.72Å; L152-L198 HydrophobicContact CB-CD1 4.31Å; L152-L198 HydrophobicContact CB-CD2 4.09Å; L152-L198 HydrophobicContact CD1-CD2 4.45Å
153N98.6Very high97.9Very high17 Ų1765.1 Ų65.19%0.09131%0.312CS..Hα-helixtrans-64.7-45.2176.6-178.883.1000111.6F149 T150 Y155 L156 V157 T195 E197 L198F149-N153 WeakPolarHBondContact O-CB 3.24Å; F149-N153 PolarHBondContact O-N 3.23Å; T150-N153 WeakPolarHBondContact O-CB 3.31Å; T150-N153 PolarHBondContact O-N 3.31Å; T150-N153 VanDerWaalsContact O-N 3.12Å; N153-Y155 VanDerWaalsContact C-N 3.25Å; N153-Y155 PolarHBondContact O-N 3.21Å; N153-L156 PolarHBondContact O-N 3.44Å; N153-L156 VanDerWaalsContact O-N 3.11Å; N153-V157 WeakPolarHBondContact O-CG2 3.32Å; N153-V157 PolarHBondContact O-N 3.1Å; N153-T195 HydrophobicContact CB-CG2 3.83Å; N153-T195 WeakPolarHBondContact OD1-CA 3.4Å; N153-E197 PolarHBondContact OD1-N 3.11Å; N153-L198 HydrophobicContact CB-CB 4.2Å; N153-L198 PolarHBondContact OD1-N 3.12Å
154E98.4Very high97.9Very high116 Ų11662.9 Ų62.954%0.54229%0.292SS..Hα-helixtrans-59.9-36.5175.6-73.7178.3166.200112.1T150 V157 K158T150-E154 HydrophobicContact CG2-CG 4.31Å; T150-E154 WeakPolarHBondContact O-CG 3.47Å; T150-E154 PolarHBondContact O-N 3.23Å; E154-V157 PolarHBondContact O-N 3.3Å; E154-K158 VanDerWaalsContact O-CB 3.31Å; E154-K158 WeakPolarHBondContact O-CB 3.45Å; E154-K158 PolarHBondContact O-N 3Å
155Y97.8Very high97.8Very high58 Ų5859.6 Ų59.623%0.22728%0.284CS..Hα-helixtrans-57.4-49.8172.4-175.9-88000111.3M114 S151 L152 N153 K158 R159 F164M114-Y155 HydrophobicContact CE-CD1 3.58Å; M114-Y155 HydrophobicContact CE-CD2 3.23Å; M114-Y155 HydrophobicContact CE-CE1 3.73Å; M114-Y155 HydrophobicContact CE-CE2 3.39Å; M114-Y155 HydrophobicContact CE-CG 3.33Å; S151-Y155 PolarHBondContact O-N 3.07Å; S151-Y155 VanDerWaalsContact O-N 3.08Å; L152-Y155 WeakPolarHBondContact O-CB 3.45Å; L152-Y155 PolarHBondContact O-N 3.43Å; N153-Y155 VanDerWaalsContact C-N 3.25Å; N153-Y155 PolarHBondContact O-N 3.21Å; Y155-K158 PolarHBondContact O-N 2.85Å; Y155-R159 HydrophobicContact CD1-CG 3.97Å; Y155-R159 HydrophobicContact CE1-CG 3.67Å; Y155-R159 HydrophobicContact CE2-CG 4.36Å; Y155-R159 HydrophobicContact CG-CG 4.43Å; Y155-R159 WeakPolarHBondContact O-CB 3.36Å; Y155-R159 WeakPolarHBondContact O-CG 3.46Å; Y155-R159 PolarHBondContact O-N 3.21Å; Y155-F164 AromaticContact CD1-CD1 3.57Å; Y155-F164 HydrophobicContact CD1-CD1 3.57Å; Y155-F164 AromaticContact CD1-CE1 3.96Å; Y155-F164 HydrophobicContact CD1-CE1 3.96Å; Y155-F164 AromaticContact CE1-CD1 3.85Å; Y155-F164 HydrophobicContact CE1-CD1 3.85Å; Y155-F164 HydrophobicContact CG-CD1 4.47Å
156L98.3Very high97.7Very high4 Ų460.3 Ų60.32%0.02129%0.291CS..Hα-helixtrans-64.6-42.8178.1-69.3170.6000112.2L152 N153 K158 R159 K160 F164 E197 L198 W201L152-L156 PolarHBondContact O-N 2.96Å; N153-L156 PolarHBondContact O-N 3.44Å; N153-L156 VanDerWaalsContact O-N 3.11Å; L156-K158 VanDerWaalsContact C-N 3.34Å; L156-K158 PolarHBondContact O-N 3.33Å; L156-R159 PolarHBondContact O-N 3Å; L156-K160 PolarHBondContact O-N 2.78Å; L156-F164 HydrophobicContact CD1-CE1 4.45Å; L156-F164 HydrophobicContact CD1-CE2 4Å; L156-F164 HydrophobicContact CD1-CZ 3.87Å; L156-F164 HydrophobicContact CD2-CD1 4.26Å; L156-F164 HydrophobicContact CD2-CD2 4.22Å; L156-F164 HydrophobicContact CD2-CE1 4.33Å; L156-F164 HydrophobicContact CD2-CE2 4.31Å; L156-F164 HydrophobicContact CD2-CG 4.21Å; L156-F164 HydrophobicContact CD2-CZ 4.36Å; L156-F164 HydrophobicContact CG-CD1 4.49Å; L156-F164 HydrophobicContact CG-CE1 4.09Å; L156-F164 HydrophobicContact CG-CE2 4.34Å; L156-F164 HydrophobicContact CG-CZ 4.01Å; L156-E197 HydrophobicContact CB-CB 3.93Å; L156-E197 HydrophobicContact CD1-CB 4.4Å; L156-L198 HydrophobicContact CD1-CD1 4.28Å; L156-W201 HydrophobicContact CD1-CB 3.91Å; L156-W201 HydrophobicContact CD1-CG 4.42Å
157V98.4Very high97.7Very high77 Ų7761.6 Ų61.647%0.46730%0.301SS..Hα-helixtrans-57.9-46.21761700000111.2N153 E154 K160 E197N153-V157 WeakPolarHBondContact O-CG2 3.32Å; N153-V157 PolarHBondContact O-N 3.1Å; E154-V157 PolarHBondContact O-N 3.3Å; V157-K160 WeakPolarHBondContact O-CG 3.24Å; V157-E197 HydrophobicContact CG2-CB 4.31Å; V157-E197 HydrophobicContact CG2-CG 3.69Å
158K97.8Very high97.7Very high184 Ų18460.1 Ų60.180%0.830%0.302SS*.Hα-helixtrans-68.4-40.4-179.7-177.2175.8-179.9176.20112E154 Y155 L156E154-K158 VanDerWaalsContact O-CB 3.31Å; E154-K158 WeakPolarHBondContact O-CB 3.45Å; E154-K158 PolarHBondContact O-N 3Å; Y155-K158 PolarHBondContact O-N 2.85Å; L156-K158 VanDerWaalsContact C-N 3.34Å; L156-K158 PolarHBondContact O-N 3.33Å
159R95.9Very high97.7Very high102 Ų10259.5 Ų59.539%0.38530%0.3SS..Hα-helixtrans-74.2-29.1-178.6-68.5-75-73.4173.1-3.4112.4Y155 L156 T161Y155-R159 HydrophobicContact CD1-CG 3.97Å; Y155-R159 HydrophobicContact CE1-CG 3.67Å; Y155-R159 HydrophobicContact CE2-CG 4.36Å; Y155-R159 HydrophobicContact CG-CG 4.43Å; Y155-R159 WeakPolarHBondContact O-CB 3.36Å; Y155-R159 WeakPolarHBondContact O-CG 3.46Å; Y155-R159 PolarHBondContact O-N 3.21Å; L156-R159 PolarHBondContact O-N 3Å; R159-T161 HydrophobicContact CB-CG2 4.27Å; R159-T161 WeakPolarHBondContact CB-OG1 3.48Å; R159-T161 PolarHBondContact O-N 3.41Å
160K97.3Very high97.7Very high186 Ų18660.3 Ų60.381%0.80931%0.305SS*.THydrogen-bonded Turntrans55.437.7-175-56.4-178.2179-178.80112.4L156 V157L156-K160 PolarHBondContact O-N 2.78Å; V157-K160 WeakPolarHBondContact O-CG 3.24Å
161T97.7Very high97.7Very high23 Ų2359 Ų5914%0.14130%0.297CS..  trans-113.3154.4-179.9530000110.6R159 F163 G166R159-T161 HydrophobicContact CB-CG2 4.27Å; R159-T161 WeakPolarHBondContact CB-OG1 3.48Å; R159-T161 PolarHBondContact O-N 3.41Å; T161-F163 VanDerWaalsContact C-N 3.33Å; T161-F163 WeakPolarHBondContact CB-O 3.28Å; T161-F163 PolarHBondContact OG1-O 3.29Å; T161-G166 WeakPolarHBondContact CB-O 3.32Å
162K98.2Very high97.7Very high108 Ų10856.9 Ų56.947%0.4728%0.282SS..SBendtrans-69.4-31.1178.7-65.3178-176.1175.90113.8G166 D167 R204K162-G166 PolarHBondContact N-O 3.43Å; K162-D167 PolarHBondContact N-OD1 2.96Å; K162-D167 VanDerWaalsContact N-OD1 3.15Å; K162-R204 PolarHBondContact O-NH1 3.34Å
163F98.6Very high97.8Very high20 Ų2056.9 Ų56.99%0.08828%0.282CS..SBendtrans-130.5169.2-176.8-58.5-80.4000110.8T161 G165 G166 I169 D173 W201 R204 M205T161-F163 VanDerWaalsContact C-N 3.33Å; T161-F163 WeakPolarHBondContact CB-O 3.28Å; T161-F163 PolarHBondContact OG1-O 3.29Å; F163-G165 VanDerWaalsContact C-N 3.27Å; F163-G165 PolarHBondContact O-N 3.18Å; F163-G166 CarbonylContact C-O 3.36Å; F163-G166 WeakPolarHBondContact CA-O 3.22Å; F163-G166 WeakPolarHBondContact CB-O 3.44Å; F163-G166 PolarHBondContact N-O 3.06Å; F163-G166 PolarHBondContact O-N 2.74Å; F163-G166 VanDerWaalsContact O-O 3.14Å; F163-I169 HydrophobicContact CD1-CG1 3.58Å; F163-I169 HydrophobicContact CD2-CG1 4.26Å; F163-I169 HydrophobicContact CE1-CD1 3.86Å; F163-I169 HydrophobicContact CE1-CG1 3.28Å; F163-I169 HydrophobicContact CE2-CG1 3.99Å; F163-I169 HydrophobicContact CG-CG1 4.07Å; F163-I169 HydrophobicContact CZ-CD1 4.06Å; F163-I169 HydrophobicContact CZ-CG1 3.5Å; F163-I169 VanDerWaalsContact CZ-CG1 3.5Å; F163-D173 WeakPolarHBondContact CB-OD1 3.39Å; F163-W201 AromaticContact CD1-CD1 3.71Å; F163-W201 AromaticContact CD1-NE1 3.87Å; F163-R204 HydrophobicContact CE1-CB 3.78Å; F163-R204 HydrophobicContact CZ-CB 3.87Å; F163-M205 HydrophobicContact CD1-SD 4Å; F163-M205 HydrophobicContact CE1-SD 3.89Å
164F98.1Very high97.8Very high3 Ų356.4 Ų56.41%0.01328%0.279CS..SBendtrans-69.5-27.8-177.4-76.9-91.3000112.5M114 L152 Y155 L156 I172 D173 M176 L198 W201M114-F164 HydrophobicContact CE-CD1 3.91Å; M114-F164 HydrophobicContact CE-CE1 4.18Å; M114-F164 HydrophobicContact CG-CD1 4.1Å; M114-F164 HydrophobicContact SD-CD1 3.94Å; M114-F164 HydrophobicContact SD-CE1 4.06Å; L152-F164 HydrophobicContact CB-CE1 4.28Å; L152-F164 HydrophobicContact CB-CZ 4.11Å; L152-F164 HydrophobicContact CD2-CE1 3.96Å; L152-F164 HydrophobicContact CD2-CZ 4.26Å; Y155-F164 AromaticContact CD1-CD1 3.57Å; Y155-F164 HydrophobicContact CD1-CD1 3.57Å; Y155-F164 AromaticContact CD1-CE1 3.96Å; Y155-F164 HydrophobicContact CD1-CE1 3.96Å; Y155-F164 AromaticContact CE1-CD1 3.85Å; Y155-F164 HydrophobicContact CE1-CD1 3.85Å; Y155-F164 HydrophobicContact CG-CD1 4.47Å; L156-F164 HydrophobicContact CD1-CE1 4.45Å; L156-F164 HydrophobicContact CD1-CE2 4Å; L156-F164 HydrophobicContact CD1-CZ 3.87Å; L156-F164 HydrophobicContact CD2-CD1 4.26Å; L156-F164 HydrophobicContact CD2-CD2 4.22Å; L156-F164 HydrophobicContact CD2-CE1 4.33Å; L156-F164 HydrophobicContact CD2-CE2 4.31Å; L156-F164 HydrophobicContact CD2-CG 4.21Å; L156-F164 HydrophobicContact CD2-CZ 4.36Å; L156-F164 HydrophobicContact CG-CD1 4.49Å; L156-F164 HydrophobicContact CG-CE1 4.09Å; L156-F164 HydrophobicContact CG-CE2 4.34Å; L156-F164 HydrophobicContact CG-CZ 4.01Å; F164-I172 HydrophobicContact CB-CG1 4.43Å; F164-I172 HydrophobicContact CB-CG2 3.75Å; F164-D173 PolarHBondContact N-OD1 3.24Å; F164-M176 HydrophobicContact CB-CE 4.02Å; F164-M176 HydrophobicContact CD1-CE 3.97Å; F164-M176 HydrophobicContact CD2-CE 3.23Å; F164-M176 HydrophobicContact CE1-CE 4.23Å; F164-M176 HydrophobicContact CE2-CE 3.53Å; F164-M176 HydrophobicContact CG-CE 3.47Å; F164-M176 VanDerWaalsContact CG-CE 3.47Å; F164-M176 HydrophobicContact CZ-CE 4.02Å; F164-L198 HydrophobicContact CE2-CD1 4.09Å; F164-L198 HydrophobicContact CZ-CD1 3.85Å; F164-W201 AromaticContact CD2-CD1 3.95Å; F164-W201 HydrophobicContact CD2-CD2 4.22Å; F164-W201 AromaticContact CD2-CE2 3.77Å; F164-W201 HydrophobicContact CD2-CG 4.32Å; F164-W201 HydrophobicContact CD2-CZ2 4.25Å; F164-W201 AromaticContact CD2-NE1 3.54Å; F164-W201 AromaticContact CE2-CD2 3.74Å; F164-W201 HydrophobicContact CE2-CD2 3.74Å; F164-W201 AromaticContact CE2-CE2 3.7Å; F164-W201 HydrophobicContact CE2-CE3 4.24Å; F164-W201 HydrophobicContact CE2-CG 4Å; F164-W201 HydrophobicContact CE2-CZ2 4.17Å; F164-W201 AromaticContact CE2-NE1 3.87Å
165G94.9Very high97.8Very high25 Ų2550.9 Ų50.926%0.25825%0.253SS..SBendtrans-85.5-16.6174.700000115.9F163 T170F163-G165 VanDerWaalsContact C-N 3.27Å; F163-G165 PolarHBondContact O-N 3.18Å; G165-T170 WeakPolarHBondContact CA-OG1 3.42Å
166G96.1Very high97.8Very high15 Ų1548.1 Ų48.116%0.15524%0.242CC..SBendtrans148.6-151.9-169.400000112.5T161 K162 F163 T168T161-G166 WeakPolarHBondContact CB-O 3.32Å; K162-G166 PolarHBondContact N-O 3.43Å; F163-G166 CarbonylContact C-O 3.36Å; F163-G166 WeakPolarHBondContact CA-O 3.22Å; F163-G166 WeakPolarHBondContact CB-O 3.44Å; F163-G166 PolarHBondContact N-O 3.06Å; F163-G166 PolarHBondContact O-N 2.74Å; F163-G166 VanDerWaalsContact O-O 3.14Å; G166-T168 VanDerWaalsContact C-N 3.32Å
167D97.4Very high97.9Very high98 Ų9848.1 Ų48.152%0.52424%0.242SC..SBendtrans-87.4-1.4179.5-71.2-36.5000114.6K162K162-D167 PolarHBondContact N-OD1 2.96Å; K162-D167 VanDerWaalsContact N-OD1 3.15Å
168T96.9Very high97.8Very high101 Ų10144.4 Ų44.462%0.6222%0.22SC*.SBendtrans-124.3152.5172.158.30000109.7G166 T170G166-T168 VanDerWaalsContact C-N 3.32Å; T168-T170 PolarHBondContact O-N 3.01Å
169I98.4Very high97.8Very high33 Ų3335.7 Ų35.717%0.16918%0.182CC..  trans-58.4135.2173.7-66.9175.1000109.8F163 D173 Y174 M205 D208F163-I169 HydrophobicContact CD1-CG1 3.58Å; F163-I169 HydrophobicContact CD2-CG1 4.26Å; F163-I169 HydrophobicContact CE1-CD1 3.86Å; F163-I169 HydrophobicContact CE1-CG1 3.28Å; F163-I169 HydrophobicContact CE2-CG1 3.99Å; F163-I169 HydrophobicContact CG-CG1 4.07Å; F163-I169 HydrophobicContact CZ-CD1 4.06Å; F163-I169 HydrophobicContact CZ-CG1 3.5Å; F163-I169 VanDerWaalsContact CZ-CG1 3.5Å; I169-D173 HydrophobicContact CG2-CB 4.05Å; I169-Y174 HydrophobicContact CG2-CD1 4.18Å; I169-Y174 HydrophobicContact CG2-CD2 4.09Å; I169-Y174 HydrophobicContact CG2-CE1 3.74Å; I169-Y174 HydrophobicContact CG2-CE2 3.64Å; I169-Y174 HydrophobicContact CG2-CG 4.35Å; I169-Y174 VanDerWaalsContact CG2-CZ 3.45Å; I169-M205 HydrophobicContact CD1-CE 4.48Å; I169-M205 HydrophobicContact CD1-SD 3.73Å; I169-M205 HydrophobicContact CG1-SD 3.9Å; I169-D208 HydrophobicContact CD1-CB 3.54Å
170T98.2Very high97.9Very high18 Ų1831.2 Ų31.211%0.1117%0.165CC..  trans-129.2-177.2173.769.80000111.2L100 Q111 G165 T168 I172 D173 Y174L100-T170 WeakPolarHBondContact O-CB 3.37Å; Q111-T170 PolarHBondContact NE2-OG1 2.5Å; Q111-T170 PolarHBondContact OE1-OG1 3.28Å; G165-T170 WeakPolarHBondContact CA-OG1 3.42Å; T168-T170 PolarHBondContact O-N 3.01Å; T170-I172 VanDerWaalsContact C-N 3.29Å; T170-I172 PolarHBondContact O-N 3.32Å; T170-I172 WeakPolarHBondContact OG1-CG2 3.35Å; T170-D173 PolarHBondContact N-OD2 3.41Å; T170-D173 PolarHBondContact O-N 2.79Å; T170-D173 VanDerWaalsContact O-N 3.16Å; T170-D173 PolarHBondContact OG1-OD2 3.03Å; T170-Y174 PolarHBondContact O-N 2.97Å
171F98.6Very high97.9Very high4 Ų423 Ų232%0.01813%0.13CC..Hα-helixtrans-48.4-47179.9-178.6-88.7000113.3V85 E89 L100 L101 D173 Y174 M175V85-F171 HydrophobicContact CG1-CE1 4.47Å; V85-F171 HydrophobicContact CG1-CZ 4.35Å; E89-F171 HydrophobicContact CG-CE1 4.24Å; E89-F171 HydrophobicContact CG-CE2 4.04Å; E89-F171 HydrophobicContact CG-CZ 3.54Å; L100-F171 HydrophobicContact CB-CB 3.88Å; L100-F171 HydrophobicContact CB-CD2 4.44Å; L100-F171 PolarHBondContact O-N 2.68Å; L101-F171 HydrophobicContact CD1-CD2 4.48Å; L101-F171 HydrophobicContact CD2-CB 3.74Å; L101-F171 HydrophobicContact CD2-CD1 3.68Å; L101-F171 HydrophobicContact CD2-CD2 4.23Å; L101-F171 HydrophobicContact CD2-CE1 4.32Å; L101-F171 HydrophobicContact CD2-CG 3.63Å; L101-F171 HydrophobicContact CG-CB 3.92Å; L101-F171 HydrophobicContact CG-CD1 4.36Å; L101-F171 HydrophobicContact CG-CD2 4Å; L101-F171 HydrophobicContact CG-CG 3.85Å; F171-D173 VanDerWaalsContact C-N 3.31Å; F171-D173 PolarHBondContact O-N 3.38Å; F171-Y174 PolarHBondContact O-N 2.86Å; F171-M175 HydrophobicContact CD1-CG 3.65Å; F171-M175 HydrophobicContact CD2-CE 4.42Å; F171-M175 HydrophobicContact CE1-CE 4.48Å; F171-M175 HydrophobicContact CE1-CG 3.32Å; F171-M175 HydrophobicContact CE1-SD 3.87Å; F171-M175 HydrophobicContact CE2-CE 4.09Å; F171-M175 HydrophobicContact CE2-SD 4.29Å; F171-M175 HydrophobicContact CG-CG 4.39Å; F171-M175 HydrophobicContact CZ-CE 4.11Å; F171-M175 HydrophobicContact CZ-CG 3.81Å; F171-M175 HydrophobicContact CZ-SD 3.7Å; F171-M175 WeakPolarHBondContact O-CG 3.4Å; F171-M175 PolarHBondContact O-N 3.32Å
172I98.6Very high97.8Very high2 Ų222 Ų221%0.0112%0.123CC..Hα-helixtrans-60.8-37-177.5-173.954.9000113.3Q111 M114 L115 F164 T170 M175 M176Q111-I172 HydrophobicContact CB-CB 4.07Å; Q111-I172 HydrophobicContact CB-CG2 4.47Å; Q111-I172 HydrophobicContact CG-CB 4.04Å; Q111-I172 HydrophobicContact CG-CG2 3.9Å; Q111-I172 WeakPolarHBondContact O-CD1 3.34Å; M114-I172 HydrophobicContact CB-CD1 4.03Å; M114-I172 HydrophobicContact CB-CG1 3.92Å; M114-I172 HydrophobicContact CG-CD1 3.87Å; M114-I172 HydrophobicContact CG-CG1 3.58Å; L115-I172 HydrophobicContact CB-CD1 3.71Å; L115-I172 HydrophobicContact CD1-CD1 4.31Å; F164-I172 HydrophobicContact CB-CG1 4.43Å; F164-I172 HydrophobicContact CB-CG2 3.75Å; T170-I172 VanDerWaalsContact C-N 3.29Å; T170-I172 PolarHBondContact O-N 3.32Å; T170-I172 WeakPolarHBondContact OG1-CG2 3.35Å; I172-M175 PolarHBondContact O-N 3.22Å; I172-M176 HydrophobicContact CD1-CE 4.41Å; I172-M176 HydrophobicContact CD1-CG 4.22Å; I172-M176 HydrophobicContact CD1-SD 4.26Å; I172-M176 HydrophobicContact CG1-CE 3.92Å; I172-M176 HydrophobicContact CG1-SD 4.37Å; I172-M176 WeakPolarHBondContact O-CG 3.43Å; I172-M176 PolarHBondContact O-N 3.17Å
173D98.8Very high97.7Very high0 Ų016.9 Ų16.90%010%0.101CC..Hα-helixtrans-64.4-45.5179.2-59-74.1000110.5F163 F164 I169 T170 F171 M175 M176 W177 W201 M205F163-D173 WeakPolarHBondContact CB-OD1 3.39Å; F164-D173 PolarHBondContact N-OD1 3.24Å; I169-D173 HydrophobicContact CG2-CB 4.05Å; T170-D173 PolarHBondContact N-OD2 3.41Å; T170-D173 PolarHBondContact O-N 2.79Å; T170-D173 VanDerWaalsContact O-N 3.16Å; T170-D173 PolarHBondContact OG1-OD2 3.03Å; F171-D173 VanDerWaalsContact C-N 3.31Å; F171-D173 PolarHBondContact O-N 3.38Å; D173-M175 VanDerWaalsContact C-N 3.31Å; D173-M175 PolarHBondContact O-N 3.1Å; D173-M176 PolarHBondContact O-N 3.39Å; D173-W177 VanDerWaalsContact O-CB 3.32Å; D173-W177 WeakPolarHBondContact O-CB 3.32Å; D173-W177 PolarHBondContact O-N 3.08Å; D173-W201 HydrophobicContact CB-CZ2 4.44Å; D173-W201 PolarHBondContact OD1-NE1 3.47Å; D173-M205 HydrophobicContact CB-CE 3.93Å; D173-M205 HydrophobicContact CB-SD 3.92Å
174Y98.8Very high97.3Very high7 Ų717.1 Ų17.13%0.02711%0.109CC..Hα-helixtrans-66.4-29.2175.2-68.7-42.4000113.5L38 A42 L100 I169 T170 F171 M176 P178 M205 D208 T210 V211L38-Y174 HydrophobicContact CB-CD1 3.93Å; L38-Y174 HydrophobicContact CB-CG 3.97Å; L38-Y174 HydrophobicContact CD1-CD1 4.08Å; L38-Y174 HydrophobicContact CD1-CG 4.47Å; L38-Y174 WeakPolarHBondContact CD1-O 3.16Å; L38-Y174 HydrophobicContact CD2-CD1 3.91Å; L38-Y174 HydrophobicContact CD2-CE1 4.14Å; L38-Y174 HydrophobicContact CG-CD1 4.19Å; A42-Y174 HydrophobicContact CB-CD2 4.36Å; A42-Y174 HydrophobicContact CB-CE2 3.51Å; L100-Y174 HydrophobicContact CD1-CD2 4.2Å; L100-Y174 HydrophobicContact CD1-CE2 4.44Å; L100-Y174 HydrophobicContact CD2-CD2 4.41Å; L100-Y174 HydrophobicContact CD2-CE2 4.04Å; I169-Y174 HydrophobicContact CG2-CD1 4.18Å; I169-Y174 HydrophobicContact CG2-CD2 4.09Å; I169-Y174 HydrophobicContact CG2-CE1 3.74Å; I169-Y174 HydrophobicContact CG2-CE2 3.64Å; I169-Y174 HydrophobicContact CG2-CG 4.35Å; I169-Y174 VanDerWaalsContact CG2-CZ 3.45Å; T170-Y174 PolarHBondContact O-N 2.97Å; F171-Y174 PolarHBondContact O-N 2.86Å; Y174-M176 VanDerWaalsContact C-N 3.33Å; Y174-P178 VanDerWaalsContact O-CD 3.28Å; Y174-P178 WeakPolarHBondContact O-CD 3.32Å; Y174-M205 HydrophobicContact CD1-CE 4Å; Y174-M205 HydrophobicContact CE1-CE 4.25Å; Y174-D208 WeakPolarHBondContact CE1-OD1 3.39Å; Y174-D208 PolarHBondContact OH-OD1 3.42Å; Y174-D208 VanDerWaalsContact OH-OD1 3.06Å; Y174-D208 PolarHBondContact OH-OD2 3Å; Y174-T210 HydrophobicContact CE1-CG2 4.17Å; Y174-V211 HydrophobicContact CE1-CG2 4.18Å
175M98.8Very high96.9Very high0 Ų018 Ų180%011%0.113CC..Hα-helixtrans-70.7-29.8175.7-67.4-5299.900112.7R35 V39 L115 F171 I172 D173R35-M175 HydrophobicContact CB-CE 3.78Å; R35-M175 HydrophobicContact CB-SD 3.94Å; R35-M175 HydrophobicContact CG-CE 4.32Å; R35-M175 HydrophobicContact CG-SD 4.11Å; R35-M175 VanDerWaalsContact CZ-O 3.25Å; R35-M175 PolarHBondContact NE-O 3.37Å; R35-M175 PolarHBondContact NH2-O 2.96Å; V39-M175 HydrophobicContact CG2-CE 3.83Å; L115-M175 HydrophobicContact CD1-CB 3.8Å; L115-M175 HydrophobicContact CD2-CB 4.5Å; L115-M175 HydrophobicContact CD2-CG 4.34Å; F171-M175 HydrophobicContact CD1-CG 3.65Å; F171-M175 HydrophobicContact CD2-CE 4.42Å; F171-M175 HydrophobicContact CE1-CE 4.48Å; F171-M175 HydrophobicContact CE1-CG 3.32Å; F171-M175 HydrophobicContact CE1-SD 3.87Å; F171-M175 HydrophobicContact CE2-CE 4.09Å; F171-M175 HydrophobicContact CE2-SD 4.29Å; F171-M175 HydrophobicContact CG-CG 4.39Å; F171-M175 HydrophobicContact CZ-CE 4.11Å; F171-M175 HydrophobicContact CZ-CG 3.81Å; F171-M175 HydrophobicContact CZ-SD 3.7Å; F171-M175 WeakPolarHBondContact O-CG 3.4Å; F171-M175 PolarHBondContact O-N 3.32Å; I172-M175 PolarHBondContact O-N 3.22Å; D173-M175 VanDerWaalsContact C-N 3.31Å; D173-M175 PolarHBondContact O-N 3.1Å
176M98.7Very high96.7Very high0 Ų016.9 Ų16.90%010%0.102CC..Hα-helixtrans-90.6-34.3179.8-63.4-172.1-6200112.5M114 F118 F164 I172 D173 Y174 P178 F179 F180 W201M114-M176 HydrophobicContact CG-CE 4.46Å; M114-M176 HydrophobicContact CG-SD 4.26Å; F118-M176 HydrophobicContact CB-CG 4.03Å; F118-M176 HydrophobicContact CB-SD 3.79Å; F118-M176 HydrophobicContact CD1-CB 4.4Å; F118-M176 HydrophobicContact CD1-CG 3.77Å; F118-M176 HydrophobicContact CD2-CB 4.14Å; F118-M176 HydrophobicContact CD2-CG 3.73Å; F118-M176 HydrophobicContact CD2-SD 3.72Å; F118-M176 HydrophobicContact CE1-CB 4.37Å; F118-M176 HydrophobicContact CE1-CG 4.22Å; F118-M176 HydrophobicContact CE2-CB 4.12Å; F118-M176 HydrophobicContact CE2-CG 4.2Å; F118-M176 HydrophobicContact CG-CB 4.31Å; F118-M176 HydrophobicContact CG-CG 3.52Å; F118-M176 HydrophobicContact CG-SD 3.75Å; F118-M176 HydrophobicContact CZ-CB 4.25Å; F118-M176 HydrophobicContact CZ-CG 4.43Å; F164-M176 HydrophobicContact CB-CE 4.02Å; F164-M176 HydrophobicContact CD1-CE 3.97Å; F164-M176 HydrophobicContact CD2-CE 3.23Å; F164-M176 HydrophobicContact CE1-CE 4.23Å; F164-M176 HydrophobicContact CE2-CE 3.53Å; F164-M176 HydrophobicContact CG-CE 3.47Å; F164-M176 VanDerWaalsContact CG-CE 3.47Å; F164-M176 HydrophobicContact CZ-CE 4.02Å; I172-M176 HydrophobicContact CD1-CE 4.41Å; I172-M176 HydrophobicContact CD1-CG 4.22Å; I172-M176 HydrophobicContact CD1-SD 4.26Å; I172-M176 HydrophobicContact CG1-CE 3.92Å; I172-M176 HydrophobicContact CG1-SD 4.37Å; I172-M176 WeakPolarHBondContact O-CG 3.43Å; I172-M176 PolarHBondContact O-N 3.17Å; D173-M176 PolarHBondContact O-N 3.39Å; Y174-M176 VanDerWaalsContact C-N 3.33Å; M176-P178 VanDerWaalsContact C-CD 3.48Å; M176-F179 PolarHBondContact O-N 3.01Å; M176-F180 HydrophobicContact CB-CD2 4.23Å; M176-F180 HydrophobicContact CB-CE2 4.13Å; M176-W201 HydrophobicContact CB-CH2 4.33Å; M176-W201 HydrophobicContact CE-CZ2 4.36Å
177W98.7Very high96.5Very high4 Ų421.5 Ų21.52%0.01512%0.119CC..Hα-helixtrans-47.6-48-170.2175-104.3000116.1L38 D173 F179 F180 E181 W201 M205 L206 V211L38-W177 HydrophobicContact CD1-CB 4.44Å; D173-W177 VanDerWaalsContact O-CB 3.32Å; D173-W177 WeakPolarHBondContact O-CB 3.32Å; D173-W177 PolarHBondContact O-N 3.08Å; W177-F179 PolarHBondContact O-N 3.21Å; W177-F180 HydrophobicContact CE3-CB 4.26Å; W177-F180 HydrophobicContact CZ3-CB 4.34Å; W177-F180 PolarHBondContact O-N 3.4Å; W177-E181 HydrophobicContact CZ2-CB 3.86Å; W177-E181 HydrophobicContact CZ2-CG 4Å; W177-E181 PolarHBondContact NE1-OE2 3.04Å; W177-E181 PolarHBondContact O-N 3.44Å; W177-W201 HydrophobicContact CE3-CH2 4.2Å; W177-M205 HydrophobicContact CB-CE 3.75Å; W177-M205 HydrophobicContact CD2-CB 3.91Å; W177-M205 HydrophobicContact CD2-CE 4.17Å; W177-M205 HydrophobicContact CD2-CG 4.49Å; W177-M205 HydrophobicContact CE3-CB 3.24Å; W177-M205 HydrophobicContact CE3-CE 4.27Å; W177-M205 HydrophobicContact CE3-CG 3.74Å; W177-M205 HydrophobicContact CG-CE 3.94Å; W177-M205 HydrophobicContact CH2-CB 3.98Å; W177-M205 HydrophobicContact CZ3-CB 3.28Å; W177-M205 HydrophobicContact CZ3-CG 4.14Å; W177-L206 HydrophobicContact CH2-CD2 3.52Å; W177-L206 HydrophobicContact CH2-CG 3.61Å; W177-L206 HydrophobicContact CZ2-CD2 3.61Å; W177-L206 HydrophobicContact CZ2-CG 4.17Å; W177-V211 HydrophobicContact CD2-CG1 4.33Å; W177-V211 HydrophobicContact CD2-CG2 4.21Å; W177-V211 HydrophobicContact CG-CG2 4.07Å; W177-V211 HydrophobicContact CZ2-CG1 3.48Å; W177-V211 VanDerWaalsContact CZ2-CG1 3.48Å; W177-V211 VanDerWaalsContact NE1-CG1 3.28Å
178P98.1Very high96.4Very high0 Ų016.8 Ų16.80%09%0.094CC..Hα-helixtrans-55.7-27.7-175.2-29.938000114.8P31 Q34 R35 L38 Y174 M176 R182P31-P178 HydrophobicContact CB-CB 3.68Å; P31-P178 WeakPolarHBondContact O-CB 3.49Å; P31-P178 WeakPolarHBondContact O-CG 3.3Å; Q34-P178 HydrophobicContact CB-CB 4.08Å; Q34-P178 HydrophobicContact CB-CG 3.86Å; Q34-P178 HydrophobicContact CG-CB 4.44Å; Q34-P178 HydrophobicContact CG-CG 4.06Å; R35-P178 HydrophobicContact CG-CG 4.06Å; L38-P178 HydrophobicContact CD1-CG 3.96Å; Y174-P178 VanDerWaalsContact O-CD 3.28Å; Y174-P178 WeakPolarHBondContact O-CD 3.32Å; M176-P178 VanDerWaalsContact C-CD 3.48Å; P178-R182 WeakPolarHBondContact O-CD 3.18Å; P178-R182 WeakPolarHBondContact O-CG 3.44Å; P178-R182 PolarHBondContact O-NH1 2.93Å
179F97.8Very high96.4Very high1 Ų116.1 Ų16.10%0.0048%0.084CC..Hα-helixtrans-83.1-36178.5-63.6-79.5000112.4P31 F32 F118 T122 L125 F126 M176 W177 R182 L183P31-F179 HydrophobicContact CB-CD1 4.45Å; P31-F179 HydrophobicContact CB-CE1 4.01Å; P31-F179 HydrophobicContact CB-CE2 4.47Å; P31-F179 HydrophobicContact CB-CZ 4.03Å; P31-F179 HydrophobicContact CG-CE1 3.91Å; P31-F179 HydrophobicContact CG-CZ 4.14Å; F32-F179 HydrophobicContact CD1-CZ 4.11Å; F32-F179 HydrophobicContact CE1-CE2 4.43Å; F32-F179 AromaticContact CE1-CZ 3.68Å; F32-F179 HydrophobicContact CE1-CZ 3.68Å; F32-F179 HydrophobicContact CE2-CZ 4.26Å; F32-F179 HydrophobicContact CZ-CE1 4.31Å; F32-F179 AromaticContact CZ-CZ 3.77Å; F32-F179 HydrophobicContact CZ-CZ 3.77Å; F118-F179 AromaticContact CE1-CD2 3.61Å; F118-F179 HydrophobicContact CE1-CD2 3.61Å; F118-F179 HydrophobicContact CE1-CE2 4.15Å; F118-F179 HydrophobicContact CE1-CG 4.23Å; F118-F179 HydrophobicContact CZ-CB 3.73Å; F118-F179 AromaticContact CZ-CD2 3.64Å; F118-F179 HydrophobicContact CZ-CD2 3.64Å; F118-F179 AromaticContact CZ-CG 3.86Å; F118-F179 HydrophobicContact CZ-CG 3.86Å; T122-F179 HydrophobicContact CG2-CD1 3.93Å; T122-F179 HydrophobicContact CG2-CE1 3.28Å; T122-F179 HydrophobicContact CG2-CE2 4.37Å; T122-F179 HydrophobicContact CG2-CZ 3.54Å; L125-F179 HydrophobicContact CD1-CB 3.82Å; L125-F179 HydrophobicContact CD1-CD1 4.17Å; L125-F179 HydrophobicContact CD1-CG 4.41Å; F126-F179 HydrophobicContact CE2-CE1 4.02Å; F126-F179 HydrophobicContact CZ-CE1 4.13Å; M176-F179 PolarHBondContact O-N 3.01Å; W177-F179 PolarHBondContact O-N 3.21Å; F179-R182 PolarHBondContact O-N 3.42Å; F179-L183 PolarHBondContact O-N 3.21Å
180F97.9Very high96.3Very high7 Ų717.8 Ų17.83%0.0319%0.091CC..Hα-helixtrans-66.4-39.8173.1-78.6-86.1000111.8F118 F149 L152 M176 W177 R182 L183 L192 L198 W201 T202F118-F180 HydrophobicContact CD2-CE2 4.17Å; F118-F180 HydrophobicContact CE2-CD2 4.2Å; F118-F180 AromaticContact CE2-CE2 3.58Å; F118-F180 HydrophobicContact CE2-CE2 3.58Å; F118-F180 HydrophobicContact CE2-CZ 4.38Å; F118-F180 HydrophobicContact CZ-CE2 4.47Å; F149-F180 HydrophobicContact CD1-CE1 4.37Å; F149-F180 HydrophobicContact CD1-CZ 4.42Å; F149-F180 AromaticContact CE1-CE1 3.9Å; F149-F180 HydrophobicContact CE1-CE1 3.9Å; F149-F180 HydrophobicContact CE1-CZ 4.02Å; F149-F180 HydrophobicContact CZ-CE1 4.29Å; L152-F180 HydrophobicContact CD1-CE2 4.36Å; L152-F180 HydrophobicContact CD1-CZ 3.72Å; M176-F180 HydrophobicContact CB-CD2 4.23Å; M176-F180 HydrophobicContact CB-CE2 4.13Å; W177-F180 HydrophobicContact CE3-CB 4.26Å; W177-F180 HydrophobicContact CZ3-CB 4.34Å; W177-F180 PolarHBondContact O-N 3.4Å; F180-R182 PolarHBondContact O-N 3.29Å; F180-R182 VanDerWaalsContact O-N 3.12Å; F180-L183 HydrophobicContact CB-CD1 4.49Å; F180-L183 HydrophobicContact CD1-CD1 3.64Å; F180-L183 HydrophobicContact CE1-CD1 4.31Å; F180-L183 HydrophobicContact CG-CD1 4.39Å; F180-L183 WeakPolarHBondContact O-CG 3.04Å; F180-L183 PolarHBondContact O-N 2.82Å; F180-L192 HydrophobicContact CE1-CD2 4.12Å; F180-L198 HydrophobicContact CE1-CD1 3.95Å; F180-L198 HydrophobicContact CE1-CD2 3.95Å; F180-L198 HydrophobicContact CE1-CG 4.06Å; F180-L198 HydrophobicContact CZ-CD1 3.97Å; F180-L198 HydrophobicContact CZ-CD2 4.26Å; F180-L198 HydrophobicContact CZ-CG 4.48Å; F180-W201 HydrophobicContact CB-CH2 4.22Å; F180-W201 HydrophobicContact CB-CZ3 3.92Å; F180-W201 AromaticContact CD1-CZ3 3.7Å; F180-W201 HydrophobicContact CD1-CZ3 3.7Å; F180-W201 AromaticContact CD2-CH2 3.49Å; F180-W201 HydrophobicContact CD2-CH2 3.49Å; F180-W201 VanDerWaalsContact CD2-CH2 3.49Å; F180-W201 AromaticContact CD2-CZ3 3.46Å; F180-W201 HydrophobicContact CD2-CZ3 3.46Å; F180-W201 VanDerWaalsContact CD2-CZ3 3.46Å; F180-W201 HydrophobicContact CE1-CZ3 4.01Å; F180-W201 AromaticContact CE2-CH2 3.88Å; F180-W201 HydrophobicContact CE2-CH2 3.88Å; F180-W201 AromaticContact CE2-CZ3 3.76Å; F180-W201 HydrophobicContact CE2-CZ3 3.76Å; F180-W201 AromaticContact CG-CH2 3.85Å; F180-W201 HydrophobicContact CG-CH2 3.85Å; F180-W201 AromaticContact CG-CZ3 3.42Å; F180-W201 HydrophobicContact CG-CZ3 3.42Å; F180-W201 VanDerWaalsContact CG-CZ3 3.42Å; F180-W201 HydrophobicContact CZ-CZ3 4.03Å; F180-T202 HydrophobicContact CB-CG2 4.37Å; F180-T202 HydrophobicContact CD1-CG2 3.85Å; F180-T202 HydrophobicContact CG-CG2 4.42Å
181E97Very high96.3Very high15 Ų1517 Ų177%0.079%0.085CC..THydrogen-bonded Turntrans-55.7-29.3173.2-169.2-178.4110.100112.4Q34 W177 M215 Y221Q34-E181 PolarHBondContact NE2-OE1 3.37Å; Q34-E181 PolarHBondContact NE2-OE2 2.91Å; W177-E181 HydrophobicContact CZ2-CB 3.86Å; W177-E181 HydrophobicContact CZ2-CG 4Å; W177-E181 PolarHBondContact NE1-OE2 3.04Å; W177-E181 PolarHBondContact O-N 3.44Å; E181-M215 HydrophobicContact CG-CB 4.48Å; E181-M215 WeakPolarHBondContact OE2-CB 3.18Å; E181-Y221 HydrophobicContact CG-CE2 4.36Å; E181-Y221 VanDerWaalsContact OE1-CE2 3.24Å; E181-Y221 WeakPolarHBondContact OE1-CE2 3.45Å; E181-Y221 VanDerWaalsContact OE1-CZ 3.22Å; E181-Y221 PolarHBondContact OE1-OH 2.94Å
182R95.1Very high96.2Very high0 Ų016.9 Ų16.90%09%0.085CC..THydrogen-bonded Turntrans-99.34.3-174.5-72.3168.6-179.265.4-0.3114.1F29 Q34 P178 F179 F180 G184 M185 F186 Y221F29-R182 PolarHBondContact O-NH2 3.42Å; Q34-R182 VanDerWaalsContact OE1-NH2 3.09Å; P178-R182 WeakPolarHBondContact O-CD 3.18Å; P178-R182 WeakPolarHBondContact O-CG 3.44Å; P178-R182 PolarHBondContact O-NH1 2.93Å; F179-R182 PolarHBondContact O-N 3.42Å; F180-R182 PolarHBondContact O-N 3.29Å; F180-R182 VanDerWaalsContact O-N 3.12Å; R182-G184 VanDerWaalsContact C-N 3.28Å; R182-G184 PolarHBondContact O-N 2.71Å; R182-M185 HydrophobicContact CB-CE 3.95Å; R182-M185 HydrophobicContact CG-CE 4.3Å; R182-M185 WeakPolarHBondContact O-CA 3.41Å; R182-M185 WeakPolarHBondContact O-CB 3.34Å; R182-M185 PolarHBondContact O-N 3.14Å; R182-F186 HydrophobicContact CB-CD2 4.05Å; R182-F186 HydrophobicContact CB-CE2 3.69Å; R182-F186 HydrophobicContact CB-CZ 4.42Å; R182-F186 WeakPolarHBondContact O-CD2 3.43Å; R182-F186 PolarHBondContact O-N 3.08Å; R182-Y221 PolarHBondContact NH1-OH 3.02Å; R182-Y221 PolarHBondContact NH2-OH 3.28Å
183L95.2Very high96.2Very high1 Ų122.1 Ų22.11%0.00511%0.113CC..THydrogen-bonded Turntrans-60.7-37.5-178-66.4175000112.8L125 F149 F179 F180 M185 F186 E187 V188 Q189 L192L125-L183 HydrophobicContact CD1-CD2 4.26Å; L125-L183 HydrophobicContact CD2-CD2 3.62Å; F149-L183 HydrophobicContact CE2-CD1 4.3Å; F149-L183 HydrophobicContact CE2-CD2 4.35Å; F149-L183 HydrophobicContact CZ-CD1 4.06Å; F149-L183 HydrophobicContact CZ-CD2 3.78Å; F179-L183 PolarHBondContact O-N 3.21Å; F180-L183 HydrophobicContact CB-CD1 4.49Å; F180-L183 HydrophobicContact CD1-CD1 3.64Å; F180-L183 HydrophobicContact CE1-CD1 4.31Å; F180-L183 HydrophobicContact CG-CD1 4.39Å; F180-L183 WeakPolarHBondContact O-CG 3.04Å; F180-L183 PolarHBondContact O-N 2.82Å; L183-M185 VanDerWaalsContact C-N 3.29Å; L183-M185 PolarHBondContact O-N 3.13Å; L183-F186 CarbonylContact O-C 3.54Å; L183-F186 PolarHBondContact O-N 2.93Å; L183-E187 PolarHBondContact O-N 2.9Å; L183-E187 VanDerWaalsContact O-N 3.1Å; L183-V188 HydrophobicContact CB-CG2 4.31Å; L183-V188 HydrophobicContact CD2-CG2 3.71Å; L183-V188 PolarHBondContact O-N 3.32Å; L183-Q189 PolarHBondContact O-N 3.33Å; L183-L192 HydrophobicContact CD1-CD1 3.49Å; L183-L192 VanDerWaalsContact CD1-CD1 3.49Å; L183-L192 HydrophobicContact CD1-CD2 4.35Å; L183-L192 HydrophobicContact CD1-CG 3.96Å
184G92.2Very high96.1Very high25 Ų2525.9 Ų25.926%0.25813%0.131SC..THydrogen-bonded Turntrans-63.4-32.2172.600000113.6R182 E187R182-G184 VanDerWaalsContact C-N 3.28Å; R182-G184 PolarHBondContact O-N 2.71Å; G184-E187 PolarHBondContact O-N 3.13Å
185M89.6Confident96.1Very high21 Ų2125.6 Ų25.610%0.10313%0.13CC..THydrogen-bonded Turntrans-73.9-36.9176.5177.1-81-5900111.1R182 L183 E187 M218 Y225R182-M185 HydrophobicContact CB-CE 3.95Å; R182-M185 HydrophobicContact CG-CE 4.3Å; R182-M185 WeakPolarHBondContact O-CA 3.41Å; R182-M185 WeakPolarHBondContact O-CB 3.34Å; R182-M185 PolarHBondContact O-N 3.14Å; L183-M185 VanDerWaalsContact C-N 3.29Å; L183-M185 PolarHBondContact O-N 3.13Å; M185-E187 PolarHBondContact O-N 3.2Å; M185-M218 HydrophobicContact CB-CE 3.91Å; M185-M218 VanDerWaalsContact N-CE 3.34Å; M185-Y225 HydrophobicContact CE-CD1 4.12Å; M185-Y225 HydrophobicContact CE-CD2 3.81Å; M185-Y225 HydrophobicContact CE-CE1 3.68Å; M185-Y225 HydrophobicContact CE-CE2 3.36Å; M185-Y225 HydrophobicContact CE-CG 4.17Å; M185-Y225 HydrophobicContact CG-CD2 3.54Å; M185-Y225 HydrophobicContact CG-CE2 3.98Å; M185-Y225 HydrophobicContact CG-CG 3.96Å; M185-Y225 HydrophobicContact SD-CD1 3.72Å; M185-Y225 HydrophobicContact SD-CD2 3.56Å; M185-Y225 VanDerWaalsContact SD-CD2 3.56Å; M185-Y225 HydrophobicContact SD-CE1 3.94Å; M185-Y225 HydrophobicContact SD-CE2 3.8Å; M185-Y225 HydrophobicContact SD-CG 3.52Å; M185-Y225 VanDerWaalsContact SD-CG 3.52Å
186F90Very high96Very high3 Ų329 Ų291%0.01315%0.152CC..THydrogen-bonded Turntrans-75.7-2.1173.4-64.6-50.7000113.6L125 F126 R182 L183 V188L125-F186 HydrophobicContact CB-CD2 3.99Å; L125-F186 HydrophobicContact CB-CE2 3.93Å; L125-F186 HydrophobicContact CB-CG 4.45Å; L125-F186 HydrophobicContact CB-CZ 4.31Å; L125-F186 HydrophobicContact CD1-CD2 4.29Å; L125-F186 HydrophobicContact CD1-CE2 4.09Å; L125-F186 HydrophobicContact CD2-CD2 4.41Å; L125-F186 HydrophobicContact CG-CD2 4.46Å; F126-F186 HydrophobicContact CD1-CE1 4.17Å; F126-F186 HydrophobicContact CD1-CZ 4.23Å; F126-F186 HydrophobicContact CE1-CE1 4.29Å; F126-F186 HydrophobicContact CE1-CZ 4.01Å; R182-F186 HydrophobicContact CB-CD2 4.05Å; R182-F186 HydrophobicContact CB-CE2 3.69Å; R182-F186 HydrophobicContact CB-CZ 4.42Å; R182-F186 WeakPolarHBondContact O-CD2 3.43Å; R182-F186 PolarHBondContact O-N 3.08Å; L183-F186 CarbonylContact O-C 3.54Å; L183-F186 PolarHBondContact O-N 2.93Å; F186-V188 HydrophobicContact CB-CG2 3.73Å; F186-V188 PolarHBondContact O-N 3.48Å
187E91.9Very high96Very high111 Ų11131.3 Ų31.352%0.51916%0.163SC..THydrogen-bonded Turntrans55.935.6-176.1-55.8-174.8105.400113.5R132 L183 G184 M185 H190R132-E187 WeakPolarHBondContact CD-OE2 3.49Å; R132-E187 IonicContact CZ-OE2 3.59Å; R132-E187 IonicContact NE-OE2 3.53Å; R132-E187 IonicContact NH1-OE1 2.73Å; R132-E187 IonicContact NH1-OE2 2.78Å; R132-E187 PolarHBondContact NH1-OE2 3.45Å; R132-E187 PolarHBondContact NH2-O 3.05Å; L183-E187 PolarHBondContact O-N 2.9Å; L183-E187 VanDerWaalsContact O-N 3.1Å; G184-E187 PolarHBondContact O-N 3.13Å; M185-E187 PolarHBondContact O-N 3.2Å; E187-H190 PolarHBondContact O-CE1 3.29Å; E187-H190 PolarHBondContact O-ND1 3.19Å
188V95.8Very high96Very high0 Ų031.1 Ų31.10%016%0.162CC..  trans-124.917.2179.7-63.50000112.9L125 I128 E142 L145 L183 F186 H190 C191L125-V188 HydrophobicContact CD2-CG2 3.91Å; I128-V188 HydrophobicContact CB-CG1 4.48Å; I128-V188 HydrophobicContact CD1-CG1 4.11Å; I128-V188 HydrophobicContact CG2-CG1 3.65Å; E142-V188 HydrophobicContact CG-CG1 4.46Å; L145-V188 HydrophobicContact CD2-CB 3.83Å; L145-V188 HydrophobicContact CD2-CG1 4.12Å; L145-V188 HydrophobicContact CD2-CG2 3.91Å; L183-V188 HydrophobicContact CB-CG2 4.31Å; L183-V188 HydrophobicContact CD2-CG2 3.71Å; L183-V188 PolarHBondContact O-N 3.32Å; F186-V188 HydrophobicContact CB-CG2 3.73Å; F186-V188 PolarHBondContact O-N 3.48Å; V188-H190 PolarHBondContact O-N 3.46Å; V188-C191 VanDerWaalsContact O-CB 3.27Å; V188-C191 WeakPolarHBondContact O-CB 3.35Å; V188-C191 PolarHBondContact O-N 3.5Å
189Q96.1Very high96.1Very high87 Ų8735.4 Ų35.441%0.40718%0.181SC..G310 helixtrans-57.8-36.2177.6-170.974.137.700111.8L183 C191 L192L183-Q189 PolarHBondContact O-N 3.33Å; Q189-C191 PolarHBondContact O-N 3.08Å; Q189-L192 WeakPolarHBondContact O-CB 3.49Å; Q189-L192 PolarHBondContact O-N 3.23Å; Q189-L192 VanDerWaalsContact O-N 3.08Å
190H96.6Very high96.1Very high68 Ų6839.4 Ų39.432%0.31520%0.198SC..G310 helixtrans-63.4-19177.663.5-73000113.3E142 E187 V188 L192 D193E142-H190 IonicContact OE1-CE1 3.88Å; E142-H190 IonicContact OE1-NE2 3.83Å; E142-H190 IonicContact OE2-CD2 3.49Å; E142-H190 IonicContact OE2-CE1 2.71Å; E142-H190 IonicContact OE2-NE2 2.68Å; E142-H190 PolarHBondContact OE2-NE2 3.33Å; E187-H190 PolarHBondContact O-CE1 3.29Å; E187-H190 PolarHBondContact O-ND1 3.19Å; V188-H190 PolarHBondContact O-N 3.46Å; H190-L192 PolarHBondContact O-N 2.85Å; H190-L192 VanDerWaalsContact O-N 3.13Å; H190-D193 WeakPolarHBondContact CA-OD2 3.05Å; H190-D193 WeakPolarHBondContact O-CB 3.47Å; H190-D193 PolarHBondContact O-N 3.35Å; H190-D193 VanDerWaalsContact O-N 3.13Å
191C97.4Very high96.1Very high0 Ų039 Ų390%020%0.196CC..G310 helixtrans-66.7-8.8173.4-64.80000112.9L145 K146 F149 V188 Q189 H194L145-C191 HydrophobicContact CD2-CB 4.15Å; L145-C191 HydrophobicContact CG-CB 4.39Å; K146-C191 HydrophobicContact CG-CB 3.88Å; F149-C191 HydrophobicContact CD2-CB 3.95Å; F149-C191 WeakPolarHBondContact CD2-O 3.44Å; F149-C191 HydrophobicContact CE2-CB 3.93Å; V188-C191 VanDerWaalsContact O-CB 3.27Å; V188-C191 WeakPolarHBondContact O-CB 3.35Å; V188-C191 PolarHBondContact O-N 3.5Å; Q189-C191 PolarHBondContact O-N 3.08Å; C191-H194 PolarHBondContact O-CE1 3.4Å; C191-H194 PolarHBondContact O-ND1 2.9Å
192L97.3Very high96.2Very high3 Ų338.9 Ų38.92%0.01620%0.196CC..G310 helixtrans-89.7-9.5173.4-67.1176000114.1F149 F180 L183 Q189 H190 H194 T195 L198 T202F149-L192 HydrophobicContact CB-CD2 4.48Å; F149-L192 HydrophobicContact CD2-CD2 3.58Å; F149-L192 HydrophobicContact CD2-CG 4.24Å; F149-L192 HydrophobicContact CE2-CD2 3.76Å; F149-L192 HydrophobicContact CE2-CG 4.16Å; F149-L192 HydrophobicContact CG-CD2 3.98Å; F149-L192 HydrophobicContact CZ-CD2 4.31Å; F180-L192 HydrophobicContact CE1-CD2 4.12Å; L183-L192 HydrophobicContact CD1-CD1 3.49Å; L183-L192 VanDerWaalsContact CD1-CD1 3.49Å; L183-L192 HydrophobicContact CD1-CD2 4.35Å; L183-L192 HydrophobicContact CD1-CG 3.96Å; Q189-L192 WeakPolarHBondContact O-CB 3.49Å; Q189-L192 PolarHBondContact O-N 3.23Å; Q189-L192 VanDerWaalsContact O-N 3.08Å; H190-L192 PolarHBondContact O-N 2.85Å; H190-L192 VanDerWaalsContact O-N 3.13Å; L192-H194 PolarHBondContact O-N 3.24Å; L192-H194 VanDerWaalsContact O-N 3.14Å; L192-T195 WeakPolarHBondContact CA-OG1 3.44Å; L192-T195 WeakPolarHBondContact O-CA 3.44Å; L192-T195 PolarHBondContact O-N 2.9Å; L192-T195 PolarHBondContact O-OG1 2.84Å; L192-L198 HydrophobicContact CD2-CD2 3.54Å; L192-L198 HydrophobicContact CD2-CG 3.92Å; L192-T202 HydrophobicContact CD1-CG2 4.18Å
193D97.5Very high96.4Very high111 Ų11143.3 Ų43.359%0.59422%0.217SC*.THydrogen-bonded Turntrans-63.4-27.4-167.3-71.5-25.1000113.6H190 T195H190-D193 WeakPolarHBondContact CA-OD2 3.05Å; H190-D193 WeakPolarHBondContact O-CB 3.47Å; H190-D193 PolarHBondContact O-N 3.35Å; H190-D193 VanDerWaalsContact O-N 3.13Å; D193-T195 VanDerWaalsContact C-N 3.34Å
194H97.1Very high96.5Very high80 Ų8046.3 Ų46.337%0.3723%0.228SC..THydrogen-bonded Turntrans-89.67175.267-73.6000113.9K146 T150 C191 L192 P196K146-H194 WeakPolarHBondContact CB-CE1 3.33Å; K146-H194 VanDerWaalsContact CG-CE1 3.49Å; K146-H194 WeakPolarHBondContact CG-CE1 3.48Å; K146-H194 PolarHBondContact O-NE2 3.4Å; T150-H194 PolarHBondContact OG1-CD2 3.19Å; T150-H194 PolarHBondContact OG1-NE2 2.73Å; C191-H194 PolarHBondContact O-CE1 3.4Å; C191-H194 PolarHBondContact O-ND1 2.9Å; L192-H194 PolarHBondContact O-N 3.24Å; L192-H194 VanDerWaalsContact O-N 3.14Å; H194-P196 WeakPolarHBondContact O-CD 3.34Å
195T98.5Very high96.8Very high0 Ų045.1 Ų45.10%022%0.216CC..  trans-12275.4-17460.10000112.7F149 N153 L192 D193 E197 L198 K199F149-T195 HydrophobicContact CB-CG2 4.03Å; N153-T195 HydrophobicContact CB-CG2 3.83Å; N153-T195 WeakPolarHBondContact OD1-CA 3.4Å; L192-T195 WeakPolarHBondContact CA-OG1 3.44Å; L192-T195 WeakPolarHBondContact O-CA 3.44Å; L192-T195 PolarHBondContact O-N 2.9Å; L192-T195 PolarHBondContact O-OG1 2.84Å; D193-T195 VanDerWaalsContact C-N 3.34Å; T195-E197 PolarHBondContact O-N 3.36Å; T195-L198 PolarHBondContact O-N 2.97Å; T195-K199 WeakPolarHBondContact O-CB 3.48Å; T195-K199 PolarHBondContact O-N 2.88Å
196P98.4Very high97.2Very high72 Ų7247.8 Ų47.847%0.46823%0.23SC..Hα-helixtrans-64-38.1-169.324.4-34.7000114.5H194 K200H194-P196 WeakPolarHBondContact O-CD 3.34Å; P196-K200 VanDerWaalsContact O-CG 3.31Å; P196-K200 WeakPolarHBondContact O-CG 3.27Å; P196-K200 PolarHBondContact O-N 3.2Å
197E98.6Very high97.6Very high49 Ų4954.1 Ų54.123%0.22926%0.26CS..Hα-helixtrans-75.8-34.9179.7-66.3-51.9129.500111.7N153 L156 V157 T195 K200 W201N153-E197 PolarHBondContact OD1-N 3.11Å; L156-E197 HydrophobicContact CB-CB 3.93Å; L156-E197 HydrophobicContact CD1-CB 4.4Å; V157-E197 HydrophobicContact CG2-CB 4.31Å; V157-E197 HydrophobicContact CG2-CG 3.69Å; T195-E197 PolarHBondContact O-N 3.36Å; E197-K200 PolarHBondContact O-N 3.26Å; E197-K200 IonicContact OE1-NZ 2.7Å; E197-K200 PolarHBondContact OE1-NZ 3.08Å; E197-K200 IonicContact OE2-NZ 2.73Å; E197-W201 PolarHBondContact O-N 3.48Å
198L98.8Very high97.9Very high0 Ų050 Ų500%024%0.242CC..Hα-helixtrans-65.7-40.2172.9-171.858.2000111.4F149 L152 N153 L156 F164 F180 L192 T195 W201 T202F149-L198 HydrophobicContact CB-CD2 3.89Å; F149-L198 HydrophobicContact CD1-CD2 4.13Å; F149-L198 HydrophobicContact CG-CD2 4.09Å; L152-L198 HydrophobicContact CB-CD1 4.31Å; L152-L198 HydrophobicContact CB-CD2 4.09Å; L152-L198 HydrophobicContact CD1-CD2 4.45Å; N153-L198 HydrophobicContact CB-CB 4.2Å; N153-L198 PolarHBondContact OD1-N 3.12Å; L156-L198 HydrophobicContact CD1-CD1 4.28Å; F164-L198 HydrophobicContact CE2-CD1 4.09Å; F164-L198 HydrophobicContact CZ-CD1 3.85Å; F180-L198 HydrophobicContact CE1-CD1 3.95Å; F180-L198 HydrophobicContact CE1-CD2 3.95Å; F180-L198 HydrophobicContact CE1-CG 4.06Å; F180-L198 HydrophobicContact CZ-CD1 3.97Å; F180-L198 HydrophobicContact CZ-CD2 4.26Å; F180-L198 HydrophobicContact CZ-CG 4.48Å; L192-L198 HydrophobicContact CD2-CD2 3.54Å; L192-L198 HydrophobicContact CD2-CG 3.92Å; T195-L198 PolarHBondContact O-N 2.97Å; L198-W201 HydrophobicContact CD1-CD2 4.46Å; L198-W201 HydrophobicContact CD1-CE3 3.78Å; L198-W201 HydrophobicContact CD1-CZ3 4.31Å; L198-W201 WeakPolarHBondContact O-CB 3.44Å; L198-W201 PolarHBondContact O-N 2.94Å; L198-T202 PolarHBondContact O-N 2.84Å
199K98.5Very high98Very high90 Ų9054 Ų5439%0.39127%0.268SS..Hα-helixtrans-61.3-47.6173.6-172.6172.4-179.9170.90111.7T195 W201 T202 E203T195-K199 WeakPolarHBondContact O-CB 3.48Å; T195-K199 PolarHBondContact O-N 2.88Å; K199-W201 VanDerWaalsContact C-N 3.26Å; K199-W201 PolarHBondContact O-N 3.4Å; K199-T202 PolarHBondContact O-N 2.88Å; K199-T202 PolarHBondContact O-OG1 3.37Å; K199-E203 WeakPolarHBondContact O-CG 3.31Å; K199-E203 PolarHBondContact O-N 2.85Å
200K98.6Very high98.1Very high84 Ų8450.6 Ų50.637%0.36525%0.253SS..Hα-helixtrans-58.1-38.1173.3-71.5170.9-172170.20112.5P196 E197 E203 R204P196-K200 VanDerWaalsContact O-CG 3.31Å; P196-K200 WeakPolarHBondContact O-CG 3.27Å; P196-K200 PolarHBondContact O-N 3.2Å; E197-K200 PolarHBondContact O-N 3.26Å; E197-K200 IonicContact OE1-NZ 2.7Å; E197-K200 PolarHBondContact OE1-NZ 3.08Å; E197-K200 IonicContact OE2-NZ 2.73Å; K200-E203 PolarHBondContact O-N 3.35Å; K200-R204 VanDerWaalsContact O-CG 3.31Å; K200-R204 WeakPolarHBondContact O-CG 3.14Å; K200-R204 PolarHBondContact O-N 3.08Å
201W98.8Very high98.2Very high0 Ų047.4 Ų47.40%024%0.238CC..Hα-helixtrans-63-43.7173.4169.884000111.7L156 F163 F164 D173 M176 W177 F180 E197 L198 K199 E203 R204 M205L156-W201 HydrophobicContact CD1-CB 3.91Å; L156-W201 HydrophobicContact CD1-CG 4.42Å; F163-W201 AromaticContact CD1-CD1 3.71Å; F163-W201 AromaticContact CD1-NE1 3.87Å; F164-W201 AromaticContact CD2-CD1 3.95Å; F164-W201 HydrophobicContact CD2-CD2 4.22Å; F164-W201 AromaticContact CD2-CE2 3.77Å; F164-W201 HydrophobicContact CD2-CG 4.32Å; F164-W201 HydrophobicContact CD2-CZ2 4.25Å; F164-W201 AromaticContact CD2-NE1 3.54Å; F164-W201 AromaticContact CE2-CD2 3.74Å; F164-W201 HydrophobicContact CE2-CD2 3.74Å; F164-W201 AromaticContact CE2-CE2 3.7Å; F164-W201 HydrophobicContact CE2-CE3 4.24Å; F164-W201 HydrophobicContact CE2-CG 4Å; F164-W201 HydrophobicContact CE2-CZ2 4.17Å; F164-W201 AromaticContact CE2-NE1 3.87Å; D173-W201 HydrophobicContact CB-CZ2 4.44Å; D173-W201 PolarHBondContact OD1-NE1 3.47Å; M176-W201 HydrophobicContact CB-CH2 4.33Å; M176-W201 HydrophobicContact CE-CZ2 4.36Å; W177-W201 HydrophobicContact CE3-CH2 4.2Å; F180-W201 HydrophobicContact CB-CH2 4.22Å; F180-W201 HydrophobicContact CB-CZ3 3.92Å; F180-W201 AromaticContact CD1-CZ3 3.7Å; F180-W201 HydrophobicContact CD1-CZ3 3.7Å; F180-W201 AromaticContact CD2-CH2 3.49Å; F180-W201 HydrophobicContact CD2-CH2 3.49Å; F180-W201 VanDerWaalsContact CD2-CH2 3.49Å; F180-W201 AromaticContact CD2-CZ3 3.46Å; F180-W201 HydrophobicContact CD2-CZ3 3.46Å; F180-W201 VanDerWaalsContact CD2-CZ3 3.46Å; F180-W201 HydrophobicContact CE1-CZ3 4.01Å; F180-W201 AromaticContact CE2-CH2 3.88Å; F180-W201 HydrophobicContact CE2-CH2 3.88Å; F180-W201 AromaticContact CE2-CZ3 3.76Å; F180-W201 HydrophobicContact CE2-CZ3 3.76Å; F180-W201 AromaticContact CG-CH2 3.85Å; F180-W201 HydrophobicContact CG-CH2 3.85Å; F180-W201 AromaticContact CG-CZ3 3.42Å; F180-W201 HydrophobicContact CG-CZ3 3.42Å; F180-W201 VanDerWaalsContact CG-CZ3 3.42Å; F180-W201 HydrophobicContact CZ-CZ3 4.03Å; E197-W201 PolarHBondContact O-N 3.48Å; L198-W201 HydrophobicContact CD1-CD2 4.46Å; L198-W201 HydrophobicContact CD1-CE3 3.78Å; L198-W201 HydrophobicContact CD1-CZ3 4.31Å; L198-W201 WeakPolarHBondContact O-CB 3.44Å; L198-W201 PolarHBondContact O-N 2.94Å; K199-W201 VanDerWaalsContact C-N 3.26Å; K199-W201 PolarHBondContact O-N 3.4Å; W201-E203 VanDerWaalsContact C-N 3.32Å; W201-E203 PolarHBondContact O-N 3.25Å; W201-R204 PolarHBondContact O-N 3.26Å; W201-M205 HydrophobicContact CD2-CG 4.07Å; W201-M205 HydrophobicContact CG-CG 4.5Å; W201-M205 HydrophobicContact CH2-CG 4.34Å; W201-M205 HydrophobicContact CZ2-CG 3.74Å; W201-M205 HydrophobicContact CZ2-SD 4.37Å; W201-M205 WeakPolarHBondContact O-CG 3.37Å; W201-M205 PolarHBondContact O-N 3.27Å
202T98.5Very high98.1Very high12 Ų1252.8 Ų52.87%0.07426%0.261CS..Hα-helixtrans-61.3-39.7175.861.50000112.4F180 L192 L198 K199 M205 L206F180-T202 HydrophobicContact CB-CG2 4.37Å; F180-T202 HydrophobicContact CD1-CG2 3.85Å; F180-T202 HydrophobicContact CG-CG2 4.42Å; L192-T202 HydrophobicContact CD1-CG2 4.18Å; L198-T202 PolarHBondContact O-N 2.84Å; K199-T202 PolarHBondContact O-N 2.88Å; K199-T202 PolarHBondContact O-OG1 3.37Å; T202-M205 PolarHBondContact O-N 3.12Å; T202-L206 WeakPolarHBondContact O-CG 2.91Å; T202-L206 PolarHBondContact O-N 2.9Å; T202-L206 VanDerWaalsContact O-N 3.07Å
203E98.3Very high98Very high93 Ų9357.1 Ų57.144%0.43529%0.285SS..Hα-helixtrans-63-45.5176.9-69.2164.1178.800111.2K199 K200 W201 M205 L206 E207K199-E203 WeakPolarHBondContact O-CG 3.31Å; K199-E203 PolarHBondContact O-N 2.85Å; K200-E203 PolarHBondContact O-N 3.35Å; W201-E203 VanDerWaalsContact C-N 3.32Å; W201-E203 PolarHBondContact O-N 3.25Å; E203-M205 PolarHBondContact O-N 3.44Å; E203-L206 WeakPolarHBondContact O-CB 3.44Å; E203-L206 PolarHBondContact O-N 3.28Å; E203-E207 PolarHBondContact O-N 3.21Å
204R98.6Very high97.9Very high64 Ų6451.9 Ų51.924%0.24226%0.256CS..Hα-helixtrans-64.2-38.6175.8-69.2174-164.4123.16.3112.9K162 F163 K200 W201 L206 E207K162-R204 PolarHBondContact O-NH1 3.34Å; F163-R204 HydrophobicContact CE1-CB 3.78Å; F163-R204 HydrophobicContact CZ-CB 3.87Å; K200-R204 VanDerWaalsContact O-CG 3.31Å; K200-R204 WeakPolarHBondContact O-CG 3.14Å; K200-R204 PolarHBondContact O-N 3.08Å; W201-R204 PolarHBondContact O-N 3.26Å; R204-L206 VanDerWaalsContact C-N 3.29Å; R204-L206 PolarHBondContact O-N 2.88Å; R204-E207 WeakPolarHBondContact O-CB 3.45Å; R204-E207 PolarHBondContact O-N 2.86Å; R204-E207 VanDerWaalsContact O-N 3.12Å
205M98.7Very high97.7Very high0 Ų050.7 Ų50.70%025%0.252CS..Hα-helixtrans-64.2-36.7176.4-72.7-58.8-7200111.4F163 I169 D173 Y174 W177 W201 T202 E203 E207 D208 V211F163-M205 HydrophobicContact CD1-SD 4Å; F163-M205 HydrophobicContact CE1-SD 3.89Å; I169-M205 HydrophobicContact CD1-CE 4.48Å; I169-M205 HydrophobicContact CD1-SD 3.73Å; I169-M205 HydrophobicContact CG1-SD 3.9Å; D173-M205 HydrophobicContact CB-CE 3.93Å; D173-M205 HydrophobicContact CB-SD 3.92Å; Y174-M205 HydrophobicContact CD1-CE 4Å; Y174-M205 HydrophobicContact CE1-CE 4.25Å; W177-M205 HydrophobicContact CB-CE 3.75Å; W177-M205 HydrophobicContact CD2-CB 3.91Å; W177-M205 HydrophobicContact CD2-CE 4.17Å; W177-M205 HydrophobicContact CD2-CG 4.49Å; W177-M205 HydrophobicContact CE3-CB 3.24Å; W177-M205 HydrophobicContact CE3-CE 4.27Å; W177-M205 HydrophobicContact CE3-CG 3.74Å; W177-M205 HydrophobicContact CG-CE 3.94Å; W177-M205 HydrophobicContact CH2-CB 3.98Å; W177-M205 HydrophobicContact CZ3-CB 3.28Å; W177-M205 HydrophobicContact CZ3-CG 4.14Å; W201-M205 HydrophobicContact CD2-CG 4.07Å; W201-M205 HydrophobicContact CG-CG 4.5Å; W201-M205 HydrophobicContact CH2-CG 4.34Å; W201-M205 HydrophobicContact CZ2-CG 3.74Å; W201-M205 HydrophobicContact CZ2-SD 4.37Å; W201-M205 WeakPolarHBondContact O-CG 3.37Å; W201-M205 PolarHBondContact O-N 3.27Å; T202-M205 PolarHBondContact O-N 3.12Å; E203-M205 PolarHBondContact O-N 3.44Å; M205-E207 PolarHBondContact O-N 3.45Å; M205-D208 WeakPolarHBondContact O-CB 3.37Å; M205-D208 PolarHBondContact O-N 2.91Å; M205-V211 HydrophobicContact CE-CG2 3.89Å; M205-V211 VanDerWaalsContact O-CB 3.24Å; M205-V211 WeakPolarHBondContact O-CB 3.5Å; M205-V211 VanDerWaalsContact O-CG1 3.26Å; M205-V211 WeakPolarHBondContact O-CG1 3.38Å; M205-V211 WeakPolarHBondContact O-CG2 3.48Å
206L97.6Very high97.5Very high77 Ų7751.7 Ų51.740%0.40326%0.256SS..Hα-helixtrans-65.2-19.9174-71.2168.6000113.5W177 T202 E203 R204 K212 M215W177-L206 HydrophobicContact CH2-CD2 3.52Å; W177-L206 HydrophobicContact CH2-CG 3.61Å; W177-L206 HydrophobicContact CZ2-CD2 3.61Å; W177-L206 HydrophobicContact CZ2-CG 4.17Å; T202-L206 WeakPolarHBondContact O-CG 2.91Å; T202-L206 PolarHBondContact O-N 2.9Å; T202-L206 VanDerWaalsContact O-N 3.07Å; E203-L206 WeakPolarHBondContact O-CB 3.44Å; E203-L206 PolarHBondContact O-N 3.28Å; R204-L206 VanDerWaalsContact C-N 3.29Å; R204-L206 PolarHBondContact O-N 2.88Å; L206-K212 WeakPolarHBondContact O-CE 3.49Å; L206-M215 HydrophobicContact CD2-CE 4.25Å
207E98.1Very high97.2Very high135 Ų13552.4 Ų52.463%0.63126%0.256SS*.Hα-helixtrans-80.2-24.2176.7-66.9173.517800112.8E203 R204 M205 K212E203-E207 PolarHBondContact O-N 3.21Å; R204-E207 WeakPolarHBondContact O-CB 3.45Å; R204-E207 PolarHBondContact O-N 2.86Å; R204-E207 VanDerWaalsContact O-N 3.12Å; M205-E207 PolarHBondContact O-N 3.45Å; E207-K212 WeakPolarHBondContact O-CE 3.45Å; E207-K212 PolarHBondContact O-NZ 2.86Å
208D98.4Very high96.8Very high26 Ų2653.2 Ų53.214%0.13926%0.261CS..  trans-62.7128-175.9177.6-115.7000112.4I169 Y174 M205 T210 V211 K212I169-D208 HydrophobicContact CD1-CB 3.54Å; Y174-D208 WeakPolarHBondContact CE1-OD1 3.39Å; Y174-D208 PolarHBondContact OH-OD1 3.42Å; Y174-D208 VanDerWaalsContact OH-OD1 3.06Å; Y174-D208 PolarHBondContact OH-OD2 3Å; M205-D208 WeakPolarHBondContact O-CB 3.37Å; M205-D208 PolarHBondContact O-N 2.91Å; D208-T210 VanDerWaalsContact C-N 3.27Å; D208-T210 PolarHBondContact O-N 2.79Å; D208-T210 WeakPolarHBondContact OD1-CA 3.43Å; D208-T210 VanDerWaalsContact OD1-CB 3.22Å; D208-T210 WeakPolarHBondContact OD1-CB 3.39Å; D208-T210 PolarHBondContact OD1-N 2.92Å; D208-V211 HydrophobicContact CB-CB 4.04Å; D208-V211 HydrophobicContact CB-CG2 4Å; D208-V211 PolarHBondContact O-N 3.23Å; D208-V211 PolarHBondContact OD1-N 3.28Å; D208-K212 WeakPolarHBondContact O-CG 3.28Å; D208-K212 PolarHBondContact O-N 3.29Å
209P97.6Very high96.5Very high84 Ų8458.8 Ų58.855%0.54529%0.29SS..Hα-helixtrans-59.4-35.6179.3-25.934.8000113.7K212 N213P209-K212 PolarHBondContact O-N 3.35Å; P209-N213 WeakPolarHBondContact O-CB 3.5Å; P209-N213 PolarHBondContact O-N 3.06Å; P209-N213 PolarHBondContact O-ND2 3.49Å
210T97.7Very high96.2Very high15 Ų1555.7 Ų55.79%0.09228%0.279CS..Hα-helixtrans-69.9-41.1179.5-69.90000111.4L38 H41 A42 Y174 D208 N213 T214L38-T210 HydrophobicContact CB-CG2 4.32Å; L38-T210 HydrophobicContact CD2-CG2 3.82Å; L38-T210 VanDerWaalsContact O-CG2 3.26Å; L38-T210 WeakPolarHBondContact O-CG2 3.45Å; H41-T210 HydrophobicContact CB-CG2 3.72Å; A42-T210 HydrophobicContact CB-CG2 4.06Å; Y174-T210 HydrophobicContact CE1-CG2 4.17Å; D208-T210 VanDerWaalsContact C-N 3.27Å; D208-T210 PolarHBondContact O-N 2.79Å; D208-T210 WeakPolarHBondContact OD1-CA 3.43Å; D208-T210 VanDerWaalsContact OD1-CB 3.22Å; D208-T210 WeakPolarHBondContact OD1-CB 3.39Å; D208-T210 PolarHBondContact OD1-N 2.92Å; T210-N213 PolarHBondContact O-N 3.4Å; T210-T214 WeakPolarHBondContact O-CG2 3.44Å; T210-T214 PolarHBondContact O-N 3.48Å; T210-T214 PolarHBondContact O-OG1 3.33Å
211V98.1Very high96Very high0 Ų051.7 Ų51.70%026%0.262CS..Hα-helixtrans-56.7-54.3170.2164.20000111.1L38 Y174 W177 M205 D208 N213 T214 M215L38-V211 HydrophobicContact CD2-CG2 4.09Å; Y174-V211 HydrophobicContact CE1-CG2 4.18Å; W177-V211 HydrophobicContact CD2-CG1 4.33Å; W177-V211 HydrophobicContact CD2-CG2 4.21Å; W177-V211 HydrophobicContact CG-CG2 4.07Å; W177-V211 HydrophobicContact CZ2-CG1 3.48Å; W177-V211 VanDerWaalsContact CZ2-CG1 3.48Å; W177-V211 VanDerWaalsContact NE1-CG1 3.28Å; M205-V211 HydrophobicContact CE-CG2 3.89Å; M205-V211 VanDerWaalsContact O-CB 3.24Å; M205-V211 WeakPolarHBondContact O-CB 3.5Å; M205-V211 VanDerWaalsContact O-CG1 3.26Å; M205-V211 WeakPolarHBondContact O-CG1 3.38Å; M205-V211 WeakPolarHBondContact O-CG2 3.48Å; D208-V211 HydrophobicContact CB-CB 4.04Å; D208-V211 HydrophobicContact CB-CG2 4Å; D208-V211 PolarHBondContact O-N 3.23Å; D208-V211 PolarHBondContact OD1-N 3.28Å; V211-N213 PolarHBondContact O-N 3.04Å; V211-N213 VanDerWaalsContact O-N 3.17Å; V211-T214 PolarHBondContact O-N 3.36Å; V211-T214 PolarHBondContact O-OG1 3.22Å; V211-M215 PolarHBondContact O-N 3.19Å; V211-M215 VanDerWaalsContact O-N 3.13Å
212K96.8Very high95.6Very high113 Ų11357.2 Ų57.249%0.49129%0.286SS..Hα-helixtrans-55.3-36.8-179.9-71.6176.1-177.9167.60113.1L206 E207 D208 P209 T214 M215L206-K212 WeakPolarHBondContact O-CE 3.49Å; E207-K212 WeakPolarHBondContact O-CE 3.45Å; E207-K212 PolarHBondContact O-NZ 2.86Å; D208-K212 WeakPolarHBondContact O-CG 3.28Å; D208-K212 PolarHBondContact O-N 3.29Å; P209-K212 PolarHBondContact O-N 3.35Å; K212-T214 VanDerWaalsContact C-N 3.28Å; K212-T214 PolarHBondContact O-N 3.45Å; K212-M215 WeakPolarHBondContact O-CG 3.37Å
213N94.9Very high95.4Very high95 Ų9558 Ų5851%0.50829%0.294SS..Hα-helixtrans-73.7-15.5-179.5-75.5-17.7000114.4P209 T210 V211P209-N213 WeakPolarHBondContact O-CB 3.5Å; P209-N213 PolarHBondContact O-N 3.06Å; P209-N213 PolarHBondContact O-ND2 3.49Å; T210-N213 PolarHBondContact O-N 3.4Å; V211-N213 PolarHBondContact O-N 3.04Å; V211-N213 VanDerWaalsContact O-N 3.17Å
214T95.5Very high95.2Very high0 Ų053.9 Ų53.90%027%0.274CS..Hα-helixtrans-113.8-11.1-175.664.90000114.5Q34 R37 L38 H41 T210 V211 K212Q34-T214 PolarHBondContact NE2-OG1 3.06Å; R37-T214 HydrophobicContact CB-CG2 4.1Å; L38-T214 HydrophobicContact CD2-CG2 4.2Å; L38-T214 WeakPolarHBondContact CD2-OG1 3.48Å; H41-T214 VanDerWaalsContact CD2-CG2 3.49Å; H41-T214 WeakPolarHBondContact CD2-CG2 3.32Å; T210-T214 WeakPolarHBondContact O-CG2 3.44Å; T210-T214 PolarHBondContact O-N 3.48Å; T210-T214 PolarHBondContact O-OG1 3.33Å; V211-T214 PolarHBondContact O-N 3.36Å; V211-T214 PolarHBondContact O-OG1 3.22Å; K212-T214 VanDerWaalsContact C-N 3.28Å; K212-T214 PolarHBondContact O-N 3.45Å
215M93.7Very high94.8Very high56 Ų5652.8 Ų52.828%0.27627%0.271SS..  trans-82.7157-179.170.4-179.2-65.600112.6M1 E181 L206 V211 K212M1-M215 WeakPolarHBondContact CE-O 3.29Å; E181-M215 HydrophobicContact CG-CB 4.48Å; E181-M215 WeakPolarHBondContact OE2-CB 3.18Å; L206-M215 HydrophobicContact CD2-CE 4.25Å; V211-M215 PolarHBondContact O-N 3.19Å; V211-M215 VanDerWaalsContact O-N 3.13Å; K212-M215 WeakPolarHBondContact O-CG 3.37Å
216F93.3Very high94.4Very high20 Ų2059.3 Ų59.39%0.08830%0.299CS..  trans-108.2159162.8-69.5-81000109.9M1 R28 F29 T220 Y221M1-F216 HydrophobicContact CE-CD1 3.73Å; M1-F216 HydrophobicContact CE-CD2 4.29Å; M1-F216 HydrophobicContact CE-CE1 3.48Å; M1-F216 VanDerWaalsContact CE-CE1 3.48Å; M1-F216 HydrophobicContact CE-CE2 4.06Å; M1-F216 HydrophobicContact CE-CG 4.15Å; M1-F216 HydrophobicContact CE-CZ 3.67Å; M1-F216 HydrophobicContact SD-CD1 4.34Å; M1-F216 HydrophobicContact SD-CD2 4.09Å; M1-F216 HydrophobicContact SD-CE1 3.71Å; M1-F216 HydrophobicContact SD-CE2 3.4Å; M1-F216 WeakPolarHBondContact SD-CE2 3.45Å; M1-F216 HydrophobicContact SD-CZ 3.2Å; M1-F216 WeakPolarHBondContact SD-CZ 3.46Å; R28-F216 HydrophobicContact CB-CE2 4.14Å; R28-F216 HydrophobicContact CB-CZ 3.99Å; R28-F216 WeakPolarHBondContact O-CE2 3.03Å; F29-F216 AromaticContact CD1-CD2 3.92Å; F29-F216 HydrophobicContact CD1-CD2 3.92Å; F29-F216 AromaticContact CD1-CE2 3.94Å; F29-F216 HydrophobicContact CD1-CE2 3.94Å; F29-F216 HydrophobicContact CD1-CG 4.49Å; F29-F216 HydrophobicContact CE1-CD1 4.34Å; F29-F216 AromaticContact CE1-CD2 3.96Å; F29-F216 HydrophobicContact CE1-CD2 3.96Å; F29-F216 HydrophobicContact CE1-CE1 4.28Å; F29-F216 AromaticContact CE1-CE2 3.89Å; F29-F216 HydrophobicContact CE1-CE2 3.89Å; F29-F216 HydrophobicContact CE1-CG 4.17Å; F29-F216 HydrophobicContact CE1-CZ 4.04Å; F216-T220 HydrophobicContact CB-CG2 3.84Å; F216-T220 HydrophobicContact CD1-CG2 3.57Å; F216-T220 HydrophobicContact CE1-CG2 4.33Å; F216-T220 HydrophobicContact CG-CG2 3.86Å; F216-Y221 HydrophobicContact CB-CD1 4.5Å; F216-Y221 HydrophobicContact CB-CD2 4.08Å; F216-Y221 HydrophobicContact CB-CE1 4.2Å; F216-Y221 HydrophobicContact CB-CE2 3.79Å; F216-Y221 HydrophobicContact CB-CG 4.42Å; F216-Y221 AromaticContact CD2-CE1 4Å; F216-Y221 HydrophobicContact CD2-CE1 4Å; F216-Y221 AromaticContact CD2-CZ 3.97Å; F216-Y221 WeakPolarHBondContact O-CE2 3.32Å
217D91.9Very high94.3Very high87 Ų8756.2 Ų56.247%0.46528%0.284SS..  trans-66.2161.2167.267.775.2000111.1D219 T220 Y221D217-D219 VanDerWaalsContact C-N 3.29Å; D217-D219 PolarHBondContact O-N 2.9Å; D217-D219 WeakPolarHBondContact OD1-CA 3.25Å; D217-D219 WeakPolarHBondContact OD1-CB 3.43Å; D217-D219 PolarHBondContact OD1-N 3.47Å; D217-T220 PolarHBondContact O-N 2.8Å; D217-T220 WeakPolarHBondContact OD1-CB 3.35Å; D217-T220 PolarHBondContact OD1-N 2.78Å; D217-T220 PolarHBondContact OD1-OG1 3.31Å; D217-T220 PolarHBondContact OD2-OG1 2.93Å; D217-Y221 PolarHBondContact O-N 2.91Å; D217-Y221 VanDerWaalsContact O-N 3.09Å
218M90.3Very high94Very high67 Ų6752.4 Ų52.433%0.3327%0.269SS..Hα-helixtrans-65.2-30.8-175.6-73.5-54-51.300113.5M185 Y221 K222M185-M218 HydrophobicContact CB-CE 3.91Å; M185-M218 VanDerWaalsContact N-CE 3.34Å; M218-Y221 PolarHBondContact O-N 3.49Å; M218-K222 WeakPolarHBondContact O-CB 3.34Å; M218-K222 VanDerWaalsContact O-CG 3.24Å; M218-K222 WeakPolarHBondContact O-CG 3.2Å; M218-K222 PolarHBondContact O-N 3.23Å
219D91.9Very high93.5Very high116 Ų11654.2 Ų54.262%0.6229%0.288SS*.Hα-helixtrans-73.5-39.6-178.9-68.3-25.2000110.6D217 K222 A223D217-D219 VanDerWaalsContact C-N 3.29Å; D217-D219 PolarHBondContact O-N 2.9Å; D217-D219 WeakPolarHBondContact OD1-CA 3.25Å; D217-D219 WeakPolarHBondContact OD1-CB 3.43Å; D217-D219 PolarHBondContact OD1-N 3.47Å; D219-K222 PolarHBondContact O-N 3.36Å; D219-A223 WeakPolarHBondContact O-CB 3.35Å; D219-A223 PolarHBondContact O-N 3.49Å
220T93.8Very high93.3Very high25 Ų2556 Ų5615%0.15329%0.289CS..Hα-helixtrans-59.2-46170.7-67.80000111.2F29 F216 D217 A223 F224 F237F29-T220 HydrophobicContact CE1-CG2 3.77Å; F29-T220 HydrophobicContact CZ-CG2 4.37Å; F216-T220 HydrophobicContact CB-CG2 3.84Å; F216-T220 HydrophobicContact CD1-CG2 3.57Å; F216-T220 HydrophobicContact CE1-CG2 4.33Å; F216-T220 HydrophobicContact CG-CG2 3.86Å; D217-T220 PolarHBondContact O-N 2.8Å; D217-T220 WeakPolarHBondContact OD1-CB 3.35Å; D217-T220 PolarHBondContact OD1-N 2.78Å; D217-T220 PolarHBondContact OD1-OG1 3.31Å; D217-T220 PolarHBondContact OD2-OG1 2.93Å; T220-A223 PolarHBondContact O-N 2.92Å; T220-F224 PolarHBondContact O-N 3.49Å; T220-F224 VanDerWaalsContact O-N 3.1Å; T220-F237 HydrophobicContact CG2-CD1 4.12Å; T220-F237 HydrophobicContact CG2-CE1 4.35Å
221Y92.7Very high93Very high0 Ų057.1 Ų57.10%030%0.304CS..Hα-helixtrans-61-51173.8-82.7-50.7000111.9F29 E181 R182 F216 D217 M218 A223 F224 Y225F29-Y221 HydrophobicContact CD1-CD1 4.14Å; F29-Y221 HydrophobicContact CD1-CE1 4.11Å; E181-Y221 HydrophobicContact CG-CE2 4.36Å; E181-Y221 VanDerWaalsContact OE1-CE2 3.24Å; E181-Y221 WeakPolarHBondContact OE1-CE2 3.45Å; E181-Y221 VanDerWaalsContact OE1-CZ 3.22Å; E181-Y221 PolarHBondContact OE1-OH 2.94Å; R182-Y221 PolarHBondContact NH1-OH 3.02Å; R182-Y221 PolarHBondContact NH2-OH 3.28Å; F216-Y221 HydrophobicContact CB-CD1 4.5Å; F216-Y221 HydrophobicContact CB-CD2 4.08Å; F216-Y221 HydrophobicContact CB-CE1 4.2Å; F216-Y221 HydrophobicContact CB-CE2 3.79Å; F216-Y221 HydrophobicContact CB-CG 4.42Å; F216-Y221 AromaticContact CD2-CE1 4Å; F216-Y221 HydrophobicContact CD2-CE1 4Å; F216-Y221 AromaticContact CD2-CZ 3.97Å; F216-Y221 WeakPolarHBondContact O-CE2 3.32Å; D217-Y221 PolarHBondContact O-N 2.91Å; D217-Y221 VanDerWaalsContact O-N 3.09Å; M218-Y221 PolarHBondContact O-N 3.49Å; Y221-A223 VanDerWaalsContact C-N 3.27Å; Y221-A223 PolarHBondContact O-N 3.26Å; Y221-F224 PolarHBondContact O-N 3.3Å; Y221-Y225 HydrophobicContact CD1-CE2 4.28Å; Y221-Y225 VanDerWaalsContact O-CD2 3.26Å; Y221-Y225 WeakPolarHBondContact O-CD2 3.37Å; Y221-Y225 PolarHBondContact O-N 3.28Å
222K91Very high92.8Very high116 Ų11665.3 Ų65.350%0.50434%0.339SS..Hα-helixtrans-56.8-41.7179.6-76.2171.3-178.8175.80111.9M218 D219 Y225 K226M218-K222 WeakPolarHBondContact O-CB 3.34Å; M218-K222 VanDerWaalsContact O-CG 3.24Å; M218-K222 WeakPolarHBondContact O-CG 3.2Å; M218-K222 PolarHBondContact O-N 3.23Å; D219-K222 PolarHBondContact O-N 3.36Å; K222-Y225 PolarHBondContact O-N 3.22Å; K222-K226 VanDerWaalsContact O-CB 3.29Å; K222-K226 WeakPolarHBondContact O-CB 3.35Å; K222-K226 PolarHBondContact O-N 2.99Å
223A93.4Very high92.7Very high30 Ų3060.7 Ų60.725%0.24832%0.321CS..Hα-helixtrans-65.1-44.517900000112.4D219 T220 Y221 K226 S227 F237D219-A223 WeakPolarHBondContact O-CB 3.35Å; D219-A223 PolarHBondContact O-N 3.49Å; T220-A223 PolarHBondContact O-N 2.92Å; Y221-A223 VanDerWaalsContact C-N 3.27Å; Y221-A223 PolarHBondContact O-N 3.26Å; A223-K226 PolarHBondContact O-N 3.36Å; A223-S227 PolarHBondContact O-N 2.98Å; A223-F237 HydrophobicContact CB-CD1 4.11Å; A223-F237 HydrophobicContact CB-CD2 4.06Å; A223-F237 HydrophobicContact CB-CE1 3.54Å; A223-F237 HydrophobicContact CB-CE2 3.48Å; A223-F237 VanDerWaalsContact CB-CE2 3.48Å; A223-F237 HydrophobicContact CB-CG 4.35Å; A223-F237 HydrophobicContact CB-CZ 3.19Å
224F94.6Very high92.8Very high6 Ų659.5 Ų59.53%0.02631%0.314CS..Hα-helixtrans-59.3-50.6172.4170.8-108.1000111.4M27 F29 T220 Y221 K226 S227 V228 P233 N234 Y235M27-F224 HydrophobicContact CE-CE1 4.37Å; M27-F224 HydrophobicContact CE-CZ 3.93Å; M27-F224 HydrophobicContact SD-CZ 4.23Å; F29-F224 HydrophobicContact CB-CD1 3.4Å; F29-F224 VanDerWaalsContact CB-CD1 3.4Å; F29-F224 HydrophobicContact CB-CD2 4.41Å; F29-F224 HydrophobicContact CB-CE1 3.43Å; F29-F224 VanDerWaalsContact CB-CE1 3.43Å; F29-F224 HydrophobicContact CB-CE2 4.44Å; F29-F224 HydrophobicContact CB-CG 3.92Å; F29-F224 HydrophobicContact CB-CZ 3.97Å; F29-F224 HydrophobicContact CD1-CB 4.08Å; F29-F224 HydrophobicContact CD1-CD1 4.27Å; F29-F224 HydrophobicContact CD1-CG 4.12Å; F29-F224 HydrophobicContact CD2-CB 3.96Å; F29-F224 AromaticContact CD2-CD1 3.8Å; F29-F224 HydrophobicContact CD2-CD1 3.8Å; F29-F224 AromaticContact CD2-CD2 3.25Å; F29-F224 HydrophobicContact CD2-CD2 3.25Å; F29-F224 HydrophobicContact CD2-CE1 4.1Å; F29-F224 AromaticContact CD2-CE2 3.59Å; F29-F224 HydrophobicContact CD2-CE2 3.59Å; F29-F224 AromaticContact CD2-CG 3.36Å; F29-F224 HydrophobicContact CD2-CG 3.36Å; F29-F224 AromaticContact CD2-CZ 3.99Å; F29-F224 HydrophobicContact CD2-CZ 3.99Å; F29-F224 HydrophobicContact CE1-CB 4.19Å; F29-F224 HydrophobicContact CE2-CB 4.04Å; F29-F224 AromaticContact CE2-CD2 3.63Å; F29-F224 HydrophobicContact CE2-CD2 3.63Å; F29-F224 HydrophobicContact CE2-CE2 4.27Å; F29-F224 AromaticContact CE2-CG 3.86Å; F29-F224 HydrophobicContact CE2-CG 3.86Å; F29-F224 HydrophobicContact CG-CB 3.97Å; F29-F224 AromaticContact CG-CD1 3.54Å; F29-F224 HydrophobicContact CG-CD1 3.54Å; F29-F224 AromaticContact CG-CD2 3.91Å; F29-F224 HydrophobicContact CG-CD2 3.91Å; F29-F224 AromaticContact CG-CE1 3.97Å; F29-F224 HydrophobicContact CG-CE1 3.97Å; F29-F224 HydrophobicContact CG-CE2 4.3Å; F29-F224 AromaticContact CG-CG 3.5Å; F29-F224 HydrophobicContact CG-CG 3.5Å; F29-F224 VanDerWaalsContact CG-CG 3.5Å; F29-F224 HydrophobicContact CG-CZ 4.32Å; F29-F224 HydrophobicContact CZ-CB 4.16Å; F29-F224 HydrophobicContact CZ-CG 4.43Å; T220-F224 PolarHBondContact O-N 3.49Å; T220-F224 VanDerWaalsContact O-N 3.1Å; Y221-F224 PolarHBondContact O-N 3.3Å; F224-K226 VanDerWaalsContact C-N 3.3Å; F224-K226 PolarHBondContact O-N 3.31Å; F224-S227 WeakPolarHBondContact O-CB 3.42Å; F224-S227 PolarHBondContact O-N 3.05Å; F224-S227 VanDerWaalsContact O-N 3.08Å; F224-S227 PolarHBondContact O-OG 3.08Å; F224-V228 HydrophobicContact CD1-CG2 4.35Å; F224-V228 HydrophobicContact CD2-CG2 4.5Å; F224-V228 HydrophobicContact CE1-CG2 3.83Å; F224-V228 HydrophobicContact CE2-CG2 4.01Å; F224-V228 HydrophobicContact CZ-CG2 3.66Å; F224-V228 PolarHBondContact O-N 3.09Å; F224-V228 VanDerWaalsContact O-N 3.09Å; F224-P233 HydrophobicContact CE2-CB 4.35Å; F224-N234 WeakPolarHBondContact CD2-O 3.31Å; F224-Y235 AromaticContact CE2-CD1 3.72Å; F224-Y235 HydrophobicContact CE2-CD1 3.72Å; F224-Y235 HydrophobicContact CE2-CE1 4.12Å; F224-Y235 HydrophobicContact CE2-CG 4.49Å; F224-Y235 AromaticContact CZ-CD1 3.98Å; F224-Y235 HydrophobicContact CZ-CD1 3.98Å; F224-Y235 HydrophobicContact CZ-CE1 4.05Å
225Y90.6Very high92.8Very high41 Ų4160.4 Ų60.416%0.16132%0.318CS..Hα-helixtrans-67.6-29.1-177.4-82-81.7000113.4M185 Y221 K222 V228 A229M185-Y225 HydrophobicContact CE-CD1 4.12Å; M185-Y225 HydrophobicContact CE-CD2 3.81Å; M185-Y225 HydrophobicContact CE-CE1 3.68Å; M185-Y225 HydrophobicContact CE-CE2 3.36Å; M185-Y225 HydrophobicContact CE-CG 4.17Å; M185-Y225 HydrophobicContact CG-CD2 3.54Å; M185-Y225 HydrophobicContact CG-CE2 3.98Å; M185-Y225 HydrophobicContact CG-CG 3.96Å; M185-Y225 HydrophobicContact SD-CD1 3.72Å; M185-Y225 HydrophobicContact SD-CD2 3.56Å; M185-Y225 VanDerWaalsContact SD-CD2 3.56Å; M185-Y225 HydrophobicContact SD-CE1 3.94Å; M185-Y225 HydrophobicContact SD-CE2 3.8Å; M185-Y225 HydrophobicContact SD-CG 3.52Å; M185-Y225 VanDerWaalsContact SD-CG 3.52Å; Y221-Y225 HydrophobicContact CD1-CE2 4.28Å; Y221-Y225 VanDerWaalsContact O-CD2 3.26Å; Y221-Y225 WeakPolarHBondContact O-CD2 3.37Å; Y221-Y225 PolarHBondContact O-N 3.28Å; K222-Y225 PolarHBondContact O-N 3.22Å; Y225-V228 WeakPolarHBondContact O-CB 3.36Å; Y225-V228 PolarHBondContact O-N 3.49Å; Y225-A229 PolarHBondContact O-N 2.86Å
226K91.4Very high92.9Very high136 Ų13659.2 Ų59.259%0.59131%0.313SS*.Hα-helixtrans-59.7-47.8168.8-176.8-178.9176.3-175.30110.9K222 A223 F224 V228 A229 E230K222-K226 VanDerWaalsContact O-CB 3.29Å; K222-K226 WeakPolarHBondContact O-CB 3.35Å; K222-K226 PolarHBondContact O-N 2.99Å; A223-K226 PolarHBondContact O-N 3.36Å; F224-K226 VanDerWaalsContact C-N 3.3Å; F224-K226 PolarHBondContact O-N 3.31Å; K226-V228 PolarHBondContact O-N 3.14Å; K226-A229 WeakPolarHBondContact O-CB 3.38Å; K226-A229 PolarHBondContact O-N 3.03Å; K226-E230 WeakPolarHBondContact CE-OE1 3.47Å; K226-E230 WeakPolarHBondContact O-CG 3.47Å; K226-E230 PolarHBondContact O-N 3.01Å
227S94.7Very high92.9Very high12 Ų1261.4 Ų61.48%0.08432%0.322CS..Hα-helixtrans-61.9-32.7176.877.60000112.8A223 F224 E230 G231 K232 P233 N234A223-S227 PolarHBondContact O-N 2.98Å; F224-S227 WeakPolarHBondContact O-CB 3.42Å; F224-S227 PolarHBondContact O-N 3.05Å; F224-S227 VanDerWaalsContact O-N 3.08Å; F224-S227 PolarHBondContact O-OG 3.08Å; S227-E230 PolarHBondContact O-N 3.36Å; S227-G231 PolarHBondContact O-N 3.42Å; S227-K232 WeakPolarHBondContact CB-O 3.47Å; S227-K232 CarbonylContact O-C 3.51Å; S227-K232 PolarHBondContact O-N 3.3Å; S227-P233 WeakPolarHBondContact OG-CA 3.44Å; S227-N234 PolarHBondContact OG-N 3.46Å
228V91.8Very high92.8Very high55 Ų5560.5 Ų60.533%0.33333%0.334SS..Hα-helixtrans-65.6-45.2172.6176.70000110.9F224 Y225 K226 E230 G231 P233F224-V228 HydrophobicContact CD1-CG2 4.35Å; F224-V228 HydrophobicContact CD2-CG2 4.5Å; F224-V228 HydrophobicContact CE1-CG2 3.83Å; F224-V228 HydrophobicContact CE2-CG2 4.01Å; F224-V228 HydrophobicContact CZ-CG2 3.66Å; F224-V228 PolarHBondContact O-N 3.09Å; F224-V228 VanDerWaalsContact O-N 3.09Å; Y225-V228 WeakPolarHBondContact O-CB 3.36Å; Y225-V228 PolarHBondContact O-N 3.49Å; K226-V228 PolarHBondContact O-N 3.14Å; V228-E230 VanDerWaalsContact C-N 3.28Å; V228-E230 PolarHBondContact O-N 2.96Å; V228-G231 PolarHBondContact O-N 3.21Å; V228-P233 HydrophobicContact CG2-CB 3.9Å; V228-P233 HydrophobicContact CG2-CG 4.12Å
229A88.5Confident92.8Very high64 Ų6462.2 Ų62.253%0.52934%0.343SS..Hα-helixtrans-63.5-33.2178.100000112.5Y225 K226 G231Y225-A229 PolarHBondContact O-N 2.86Å; K226-A229 WeakPolarHBondContact O-CB 3.38Å; K226-A229 PolarHBondContact O-N 3.03Å; A229-G231 PolarHBondContact O-N 3.37Å
230E92.1Very high92.8Very high122 Ų12259.5 Ų59.557%0.5733%0.329SS*.THydrogen-bonded Turntrans-75.3-0.6173.9-67.8169.3176.800113.4K226 S227 V228 K232K226-E230 WeakPolarHBondContact CE-OE1 3.47Å; K226-E230 WeakPolarHBondContact O-CG 3.47Å; K226-E230 PolarHBondContact O-N 3.01Å; S227-E230 PolarHBondContact O-N 3.36Å; V228-E230 VanDerWaalsContact C-N 3.28Å; V228-E230 PolarHBondContact O-N 2.96Å; E230-K232 PolarHBondContact O-N 3.46Å
231G91.8Very high92.8Very high39 Ų3961.3 Ų61.340%0.40234%0.339SS..THydrogen-bonded Turntrans79.10.2178.600000114.5K55 S227 V228 A229 P233K55-G231 PolarHBondContact NZ-O 3.35Å; S227-G231 PolarHBondContact O-N 3.42Å; V228-G231 PolarHBondContact O-N 3.21Å; A229-G231 PolarHBondContact O-N 3.37Å; G231-P233 WeakPolarHBondContact O-CD 3.49Å
232K93.6Very high92.8Very high172 Ų17264.7 Ų64.775%0.74836%0.358SS*.  trans-123.270.8180-62.8178.8-176.8176.60110.8S227 E230 N234S227-K232 WeakPolarHBondContact CB-O 3.47Å; S227-K232 CarbonylContact O-C 3.51Å; S227-K232 PolarHBondContact O-N 3.3Å; E230-K232 PolarHBondContact O-N 3.46Å; K232-N234 PolarHBondContact O-N 2.94Å
233P94.9Very high92.9Very high15 Ų1561.7 Ų61.710%0.09735%0.349CS..  trans-54.8123.8-178.9-22.631.2000112.2K55 F224 S227 V228 G231 Y235K55-P233 HydrophobicContact CD-CG 4.17Å; F224-P233 HydrophobicContact CE2-CB 4.35Å; S227-P233 WeakPolarHBondContact OG-CA 3.44Å; V228-P233 HydrophobicContact CG2-CB 3.9Å; V228-P233 HydrophobicContact CG2-CG 4.12Å; G231-P233 WeakPolarHBondContact O-CD 3.49Å; P233-Y235 HydrophobicContact CB-CD1 4.45Å; P233-Y235 HydrophobicContact CB-CD2 4.37Å; P233-Y235 HydrophobicContact CB-CE1 3.91Å; P233-Y235 HydrophobicContact CB-CE2 3.84Å; P233-Y235 HydrophobicContact CG-CE2 4.49Å; P233-Y235 PolarHBondContact O-N 3.23Å
234N96.2Very high92.8Very high70 Ų7063.7 Ų63.737%0.37436%0.355SS..  trans-92.382.5172.7-175.31.3000109.7F224 S227 K232 D236 F237F224-N234 WeakPolarHBondContact CD2-O 3.31Å; S227-N234 PolarHBondContact OG-N 3.46Å; K232-N234 PolarHBondContact O-N 2.94Å; N234-D236 PolarHBondContact O-N 2.94Å; N234-D236 VanDerWaalsContact O-N 3.09Å; N234-D236 PolarHBondContact OD1-N 2.73Å; N234-F237 HydrophobicContact CB-CB 4.37Å; N234-F237 WeakPolarHBondContact O-CB 3.23Å; N234-F237 PolarHBondContact O-N 2.99Å; N234-F237 VanDerWaalsContact O-N 3.15Å; N234-F237 PolarHBondContact OD1-N 3.24Å; N234-F237 VanDerWaalsContact OD1-N 3.14Å
235Y95.9Very high92.7Very high20 Ų2067.5 Ų67.58%0.07838%0.377CS..THydrogen-bonded Turntrans-61.6-16.3178.7-58.9-68.5000113.6M27 F29 H53 L54 F224 P233M27-Y235 HydrophobicContact CE-CD1 4.15Å; M27-Y235 HydrophobicContact CE-CE1 4.16Å; M27-Y235 HydrophobicContact CG-CD1 3.59Å; M27-Y235 HydrophobicContact CG-CE1 4.22Å; M27-Y235 HydrophobicContact CG-CG 4.33Å; M27-Y235 HydrophobicContact SD-CD1 3.83Å; M27-Y235 HydrophobicContact SD-CE1 4.43Å; F29-Y235 WeakPolarHBondContact CE2-O 3.34Å; H53-Y235 HydrophobicContact CB-CD2 4.44Å; H53-Y235 AromaticContact CD2-CD2 3.39Å; H53-Y235 WeakPolarHBondContact CD2-CD2 3.29Å; H53-Y235 AromaticContact CD2-CE2 3.9Å; H53-Y235 AromaticContact CE1-CE2 3.83Å; H53-Y235 AromaticContact CG-CD2 3.79Å; H53-Y235 AromaticContact NE2-CD2 3.59Å; H53-Y235 AromaticContact NE2-CE2 3.72Å; L54-Y235 HydrophobicContact CB-CE1 4.03Å; L54-Y235 HydrophobicContact CB-CE2 4.42Å; L54-Y235 HydrophobicContact CD1-CE1 4.16Å; L54-Y235 HydrophobicContact CG-CE1 4.12Å; F224-Y235 AromaticContact CE2-CD1 3.72Å; F224-Y235 HydrophobicContact CE2-CD1 3.72Å; F224-Y235 HydrophobicContact CE2-CE1 4.12Å; F224-Y235 HydrophobicContact CE2-CG 4.49Å; F224-Y235 AromaticContact CZ-CD1 3.98Å; F224-Y235 HydrophobicContact CZ-CD1 3.98Å; F224-Y235 HydrophobicContact CZ-CE1 4.05Å; P233-Y235 HydrophobicContact CB-CD1 4.45Å; P233-Y235 HydrophobicContact CB-CD2 4.37Å; P233-Y235 HydrophobicContact CB-CE1 3.91Å; P233-Y235 HydrophobicContact CB-CE2 3.84Å; P233-Y235 HydrophobicContact CG-CE2 4.49Å; P233-Y235 PolarHBondContact O-N 3.23Å
236D96Very high92.9Very high30 Ų3069.4 Ų69.416%0.1639%0.393CS..THydrogen-bonded Turntrans-104.814.3-178.3-61.7-42.7000112.8K5 S6 R28 N234 G238 L239K5-D236 WeakPolarHBondContact CA-OD1 3.38Å; S6-D236 WeakPolarHBondContact CB-OD1 3.49Å; S6-D236 PolarHBondContact N-OD1 3.39Å; S6-D236 PolarHBondContact N-OD2 3.45Å; S6-D236 PolarHBondContact OG-OD1 2.86Å; S6-D236 PolarHBondContact OG-OD2 3.47Å; R28-D236 PolarHBondContact NH1-O 3.39Å; N234-D236 PolarHBondContact O-N 2.94Å; N234-D236 VanDerWaalsContact O-N 3.09Å; N234-D236 PolarHBondContact OD1-N 2.73Å; D236-G238 PolarHBondContact O-N 2.73Å; D236-L239 WeakPolarHBondContact O-CB 3.47Å; D236-L239 PolarHBondContact O-N 3.14Å
237F94.6Very high93Very high67 Ų6764.3 Ų64.329%0.29438%0.377SS..THydrogen-bonded Turntrans-51.9127-179.3-176.6-90.4000112.5R28 F29 T220 A223 N234R28-F237 VanDerWaalsContact CZ-O 3.24Å; R28-F237 PolarHBondContact NH1-O 2.88Å; R28-F237 PolarHBondContact NH2-O 3.45Å; F29-F237 HydrophobicContact CE2-CB 4.26Å; F29-F237 HydrophobicContact CZ-CB 4.05Å; T220-F237 HydrophobicContact CG2-CD1 4.12Å; T220-F237 HydrophobicContact CG2-CE1 4.35Å; A223-F237 HydrophobicContact CB-CD1 4.11Å; A223-F237 HydrophobicContact CB-CD2 4.06Å; A223-F237 HydrophobicContact CB-CE1 3.54Å; A223-F237 HydrophobicContact CB-CE2 3.48Å; A223-F237 VanDerWaalsContact CB-CE2 3.48Å; A223-F237 HydrophobicContact CB-CG 4.35Å; A223-F237 HydrophobicContact CB-CZ 3.19Å; N234-F237 HydrophobicContact CB-CB 4.37Å; N234-F237 WeakPolarHBondContact O-CB 3.23Å; N234-F237 PolarHBondContact O-N 2.99Å; N234-F237 VanDerWaalsContact O-N 3.15Å; N234-F237 PolarHBondContact OD1-N 3.24Å; N234-F237 VanDerWaalsContact OD1-N 3.14Å
238G89.6Confident92.8Very high68 Ų6868.7 Ų68.770%0.70140%0.402SS*.THydrogen-bonded Turntrans81.113.3-176.800000115.5D236D236-G238 PolarHBondContact O-N 2.73Å
239L88.8Confident92.9Very high102 Ų10269.9 Ų69.953%0.53441%0.408SS..  trans-115.70167.7-57.3177.6000111.4E4 D236E4-L239 WeakPolarHBondContact O-CD1 3.5Å; D236-L239 WeakPolarHBondContact O-CB 3.47Å; D236-L239 PolarHBondContact O-N 3.14Å

Retrieved 239 of 239 residues in 141.9 ms (Link to these results)

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