A0A087YK15_POEFO Loading...

beta-N-acetylhexosaminidase

AlphaFold DB , UniProt , Accession A0A087YK15, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 479 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
1M38.2Very low74Confident240 Ų24087.3 Ų87.3100%1.18246%0.464SS*.  0109.40-62.9173.5-162.200106.7
2N33.1Very low76.1Confident165 Ų16580 Ų8088%0.88243%0.425SS*.  trans-126.8137170.7-91.9-8000105.2
3P48.1Very low77.8Confident97 Ų9773.9 Ų73.963%0.6339%0.393SS*.  -115.3179.3-85.727.1-12.7000111.7
4P69.2Low79.3Confident55 Ų5569.2 Ų69.236%0.35737%0.368SS..SBendtrans-35.4172151.511.9-30.3000115.3L328 N329P4-L328 CarbonylContact C-O 3.43Å; P4-L328 WeakPolarHBondContact CA-O 3.36Å; P4-L328 WeakPolarHBondContact CB-O 3.49Å; P4-N329 VanDerWaalsContact CB-C 3.47Å; P4-N329 WeakPolarHBondContact CB-O 3.4Å; P4-N329 WeakPolarHBondContact CG-O 3.49Å
5W84.7Confident80.5Confident20 Ų2064.7 Ų64.78%0.07634%0.343CS..SBendtrans-28.4126.6178.3178.8-93.9000111.9A253 W280 L281 A284 M293 I296 L328W5-A253 HydrophobicContact CH2-CB 3.6Å; W5-A253 HydrophobicContact CZ2-CB 3.85Å; W5-W280 HydrophobicContact CH2-CE3 4.24Å; W5-W280 HydrophobicContact CZ3-CB 4Å; W5-L281 HydrophobicContact CB-CD2 4.25Å; W5-L281 HydrophobicContact CE3-CD2 4.2Å; W5-A284 HydrophobicContact CE3-CB 4.16Å; W5-A284 HydrophobicContact CH2-CB 4.15Å; W5-A284 HydrophobicContact CZ3-CB 3.78Å; W5-M293 HydrophobicContact CZ2-CE 4.23Å; W5-I296 HydrophobicContact CD2-CB 4.29Å; W5-I296 HydrophobicContact CD2-CD1 4.47Å; W5-I296 HydrophobicContact CD2-CG2 3.9Å; W5-I296 HydrophobicContact CE3-CD1 4.17Å; W5-I296 HydrophobicContact CG-CG2 4.15Å; W5-I296 HydrophobicContact CH2-CB 4.11Å; W5-I296 HydrophobicContact CH2-CD1 3.83Å; W5-I296 HydrophobicContact CH2-CG1 4.4Å; W5-I296 HydrophobicContact CZ2-CB 3.55Å; W5-I296 HydrophobicContact CZ2-CD1 4.16Å; W5-I296 HydrophobicContact CZ2-CG1 4.32Å; W5-I296 HydrophobicContact CZ2-CG2 4.07Å; W5-I296 HydrophobicContact CZ3-CD1 3.84Å; W5-L328 HydrophobicContact CB-CB 4.02Å; W5-L328 HydrophobicContact CB-CD2 4.04Å; W5-L328 HydrophobicContact CD2-CD2 4.08Å; W5-L328 HydrophobicContact CE3-CD2 3.66Å; W5-L328 HydrophobicContact CG-CD2 4.25Å; W5-L328 PolarHBondContact N-O 2.84Å
6P77.5Confident81.6Confident43 Ų4360.8 Ų60.828%0.27932%0.323SS..  trans-51.6155.4-170.1-5.81.2000112G8 A284P6-G8 PolarHBondContact O-N 2.77Å; P6-G8 VanDerWaalsContact O-N 3.12Å; P6-A284 HydrophobicContact CG-CB 3.53Å
7K80.6Confident82.2Confident201 Ų20157.4 Ų57.487%0.87430%0.304SS*.SBendtrans-41.1124.1177.9-68.7-177.3178.7179.60110.3M293K7-M293 VanDerWaalsContact O-O 3.07Å
8G90.3Very high82.7Confident36 Ų3655.1 Ų55.137%0.37130%0.297SS..SBendtrans157.8170.2-173.300000110.1P6 R294P6-G8 PolarHBondContact O-N 2.77Å; P6-G8 VanDerWaalsContact O-N 3.12Å; G8-R294 CarbonylContact C-O 3.6Å; G8-R294 WeakPolarHBondContact CA-O 3.46Å
9K95.9Very high83.4Confident74 Ų7452.2 Ų52.232%0.32228%0.281SS..EExtended strand (participates in β ladder)trans-84.4142.1-177.6-58.2-173.1-171.6178.50111.3L11 D39 E84 W252 R294 G295 I296K9-L11 HydrophobicContact CB-CD2 4.17Å; K9-D39 HydrophobicContact CB-CB 3.96Å; K9-D39 HydrophobicContact CG-CB 4.32Å; K9-E84 WeakPolarHBondContact CD-OE1 3.47Å; K9-E84 WeakPolarHBondContact CE-OE1 3.02Å; K9-E84 IonicContact NZ-OE1 3.46Å; K9-E84 PolarHBondContact NZ-OE1 3.49Å; K9-E84 IonicContact NZ-OE2 3.28Å; K9-E84 PolarHBondContact NZ-OE2 3.37Å; K9-W252 HydrophobicContact CB-CH2 4.34Å; K9-W252 HydrophobicContact CB-CZ3 4.26Å; K9-W252 HydrophobicContact CD-CH2 4.37Å; K9-R294 PolarHBondContact N-O 2.94Å; K9-G295 CarbonylContact O-C 3.55Å; K9-G295 WeakPolarHBondContact O-CA 3.38Å; K9-I296 PolarHBondContact O-N 3.25Å
10K97.9Very high84.1Confident29 Ų2949.7 Ų49.713%0.12627%0.268CS..EExtended strand (participates in β ladder)trans-99.6111.6164.6-69.2162.7-76.6161.60108.5G37 D39 G40 I296 I298 L325 L328 N329K10-G37 PolarHBondContact NZ-O 2.98Å; K10-D39 WeakPolarHBondContact CE-OD2 3.34Å; K10-D39 PolarHBondContact N-OD2 2.99Å; K10-D39 PolarHBondContact O-N 3.15Å; K10-G40 PolarHBondContact O-N 3.13Å; K10-I296 WeakPolarHBondContact CA-O 3.44Å; K10-I296 HydrophobicContact CG-CG2 4.05Å; K10-I298 HydrophobicContact CB-CD1 4.02Å; K10-I298 HydrophobicContact CG-CD1 4.5Å; K10-L325 HydrophobicContact CB-CD2 4.29Å; K10-L325 HydrophobicContact CD-CD2 4.34Å; K10-L328 HydrophobicContact CD-CB 4.47Å; K10-L328 HydrophobicContact CD-CD1 4.5Å; K10-L328 HydrophobicContact CG-CD1 4.33Å; K10-N329 PolarHBondContact NZ-OD1 2.65Å
11L98.7Very high84.8Confident0 Ų047.3 Ų47.30%026%0.255CS..EExtended strand (participates in β ladder)trans-100.9134.9179-53.3176.8000109.6K9 G40 L42 I86 W252 I296 A297 I298K9-L11 HydrophobicContact CB-CD2 4.17Å; L11-G40 CarbonylContact C-O 3.4Å; L11-G40 VanDerWaalsContact CA-O 3.26Å; L11-G40 WeakPolarHBondContact CA-O 3.35Å; L11-L42 HydrophobicContact CB-CB 4.46Å; L11-I86 HydrophobicContact CD1-CD1 3.82Å; L11-I86 HydrophobicContact CD2-CD1 4.41Å; L11-W252 HydrophobicContact CD1-CE3 4.28Å; L11-W252 HydrophobicContact CD1-CH2 4.09Å; L11-W252 HydrophobicContact CD1-CZ3 3.6Å; L11-W252 HydrophobicContact CG-CZ3 4.12Å; L11-I296 PolarHBondContact N-O 2.63Å; L11-A297 HydrophobicContact CB-CB 4.32Å; L11-A297 CarbonylContact O-C 3.3Å; L11-A297 WeakPolarHBondContact O-CA 3.28Å; L11-I298 VanDerWaalsContact O-CD1 3.3Å; L11-I298 WeakPolarHBondContact O-CD1 3.24Å; L11-I298 PolarHBondContact O-N 3.13Å
12V98.8Very high87.6Confident0 Ų040.8 Ų40.80%022%0.217CC..EExtended strand (participates in β ladder)trans-93.7126.6166.9174.10000108.7F33 V38 G40 L41 L42 F257 L321 L325V12-F33 HydrophobicContact CB-CD2 4.36Å; V12-F33 HydrophobicContact CB-CE2 4.42Å; V12-F33 HydrophobicContact CG1-CD2 4.22Å; V12-F33 HydrophobicContact CG1-CE1 4.39Å; V12-F33 HydrophobicContact CG1-CE2 3.82Å; V12-F33 HydrophobicContact CG1-CZ 3.91Å; V12-V38 HydrophobicContact CB-CG1 4.24Å; V12-V38 HydrophobicContact CG2-CB 4.29Å; V12-V38 HydrophobicContact CG2-CG1 3.75Å; V12-V38 HydrophobicContact CG2-CG2 3.47Å; V12-V38 VanDerWaalsContact CG2-CG2 3.47Å; V12-G40 PolarHBondContact N-O 3Å; V12-L41 HydrophobicContact CB-CD2 4.46Å; V12-L41 CarbonylContact O-C 3.57Å; V12-L41 WeakPolarHBondContact O-CA 3.41Å; V12-L42 PolarHBondContact O-N 3.48Å; V12-F257 HydrophobicContact CG1-CE1 4.34Å; V12-L321 HydrophobicContact CG1-CD1 4.33Å; V12-L321 HydrophobicContact CG1-CD2 4.1Å; V12-L321 HydrophobicContact CG2-CD1 3.93Å; V12-L321 HydrophobicContact CG2-CD2 4.4Å; V12-L325 HydrophobicContact CG2-CD1 4.43Å
13H98.8Very high90.7Very high1 Ų133.6 Ų33.61%0.00518%0.179CC..EExtended strand (participates in β ladder)trans-79.1131.7173.9-173.9-136.4000110.8L42 E44 I298 T299 W301H13-L42 CarbonylContact C-O 3.46Å; H13-L42 VanDerWaalsContact CA-O 3.24Å; H13-L42 WeakPolarHBondContact CA-O 3.48Å; H13-L42 PolarHBondContact CD2-O 3.45Å; H13-L42 VanDerWaalsContact CD2-O 3.29Å; H13-E44 IonicContact CE1-OE2 2.8Å; H13-I298 PolarHBondContact N-O 3.32Å; H13-T299 VanDerWaalsContact CB-CA 3.49Å; H13-T299 HydrophobicContact CB-CG2 4.21Å; H13-W301 AromaticContact CE1-CE3 3.58Å; H13-W301 AromaticContact CE1-CH2 3.9Å; H13-W301 AromaticContact CE1-CZ3 3.48Å; H13-W301 VanDerWaalsContact CE1-CZ3 3.48Å; H13-W301 WeakPolarHBondContact CE1-CZ3 3.5Å
14L98.4Very high93Very high8 Ų834.7 Ų34.74%0.04218%0.175CC..EExtended strand (participates in β ladder)trans-11599.8168-68.6175.1000107.9L16 L26 F33 L41 L42 V43 E44 L314L14-L16 HydrophobicContact CB-CD2 4.05Å; L14-L16 HydrophobicContact CB-CG 4.5Å; L14-L26 HydrophobicContact CD1-CD2 4.31Å; L14-F33 HydrophobicContact CD1-CE2 4.45Å; L14-F33 HydrophobicContact CD2-CE2 4Å; L14-F33 HydrophobicContact CD2-CZ 4.26Å; L14-F33 HydrophobicContact CG-CE2 4.45Å; L14-L41 HydrophobicContact CD1-CD1 4.19Å; L14-L42 PolarHBondContact N-O 2.9Å; L14-V43 HydrophobicContact CB-CG2 4.45Å; L14-V43 HydrophobicContact CD1-CG2 4.46Å; L14-E44 PolarHBondContact O-N 3.1Å; L14-L314 HydrophobicContact CD2-CD2 4.25Å
15D98Very high94.4Very high1 Ų132.2 Ų32.21%0.00516%0.159CC..EExtended strand (participates in β ladder)trans-80.5118.2164.4-177.56.2000108.4K17 Q302D15-K17 WeakPolarHBondContact OD1-CD 3.33Å; D15-K17 WeakPolarHBondContact OD1-CG 3.28Å; D15-K17 PolarHBondContact OD1-N 3.17Å; D15-K17 IonicContact OD1-NZ 3.59Å; D15-K17 PolarHBondContact OD1-NZ 3.22Å; D15-K17 VanDerWaalsContact OD2-CE 3.22Å; D15-K17 WeakPolarHBondContact OD2-CE 3.37Å; D15-K17 IonicContact OD2-NZ 3.91Å; D15-K17 PolarHBondContact OD2-NZ 2.97Å; D15-Q302 HydrophobicContact CB-CG 3.99Å; D15-Q302 WeakPolarHBondContact O-CG 3.49Å; D15-Q302 PolarHBondContact O-NE2 2.9Å; D15-Q302 PolarHBondContact OD2-N 2.7Å
16L97Very high95Very high2 Ų231.3 Ų31.31%0.0116%0.156CC..  trans-103.3-1.5-172.9-56.5-178.6000112.9L14 P20 V43 E44 Y45 M48 Y66L14-L16 HydrophobicContact CB-CD2 4.05Å; L14-L16 HydrophobicContact CB-CG 4.5Å; L16-P20 WeakPolarHBondContact O-CB 3.46Å; L16-V43 HydrophobicContact CD1-CG1 3.54Å; L16-V43 HydrophobicContact CG-CG1 4.21Å; L16-E44 WeakPolarHBondContact CB-O 3.4Å; L16-E44 PolarHBondContact N-O 3Å; L16-Y45 HydrophobicContact CD1-CD1 3.65Å; L16-Y45 HydrophobicContact CD1-CE1 3.91Å; L16-Y45 HydrophobicContact CD1-CG 4.41Å; L16-M48 HydrophobicContact CB-CB 4.5Å; L16-M48 VanDerWaalsContact O-CG 3.3Å; L16-M48 WeakPolarHBondContact O-CG 3.34Å; L16-Y66 HydrophobicContact CB-CE2 4.29Å; L16-Y66 HydrophobicContact CD1-CD2 4.46Å; L16-Y66 HydrophobicContact CD1-CE2 3.72Å; L16-Y66 HydrophobicContact CG-CE2 4.46Å
17K92.3Very high96Very high3 Ų331.9 Ų31.91%0.01315%0.154CC..SBendtrans-72138.6-179.676.2-162.8161.9-105.30112.2D15 A19 E44 E46 R303D15-K17 WeakPolarHBondContact OD1-CD 3.33Å; D15-K17 WeakPolarHBondContact OD1-CG 3.28Å; D15-K17 PolarHBondContact OD1-N 3.17Å; D15-K17 IonicContact OD1-NZ 3.59Å; D15-K17 PolarHBondContact OD1-NZ 3.22Å; D15-K17 VanDerWaalsContact OD2-CE 3.22Å; D15-K17 WeakPolarHBondContact OD2-CE 3.37Å; D15-K17 IonicContact OD2-NZ 3.91Å; D15-K17 PolarHBondContact OD2-NZ 2.97Å; K17-A19 PolarHBondContact O-N 3.26Å; K17-E44 IonicContact NZ-OE2 3.85Å; K17-E44 PolarHBondContact NZ-OE2 3.18Å; K17-E46 HydrophobicContact CB-CB 4.37Å; K17-E46 WeakPolarHBondContact CB-OE2 3.23Å; K17-E46 HydrophobicContact CD-CG 4.38Å; K17-E46 WeakPolarHBondContact CD-OE1 3.25Å; K17-E46 WeakPolarHBondContact CD-OE2 3.31Å; K17-E46 IonicContact NZ-OE1 3.89Å; K17-R303 HydrophobicContact CD-CG 3.96Å; K17-R303 HydrophobicContact CG-CG 3.75Å
18G91.7Very high96.8Very high16 Ų1626.8 Ų26.817%0.16513%0.134CC..SBendtrans73.8-57.2176.600000115.6P20 Q63 R303 T447G18-P20 WeakPolarHBondContact O-CD 3.4Å; G18-Q63 PolarHBondContact O-NE2 2.98Å; G18-R303 VanDerWaalsContact CA-NH2 3.34Å; G18-T447 PolarHBondContact O-OG1 3.43Å
19A96Very high97.2Very high0 Ų025.1 Ų25.10%012%0.116CC..SBendtrans-113.360.9178.500000113K17 P21 L310 L313 Y443 T447K17-A19 PolarHBondContact O-N 3.26Å; A19-P21 WeakPolarHBondContact O-CD 3.5Å; A19-L310 HydrophobicContact CB-CD1 4.03Å; A19-L310 HydrophobicContact CB-CD2 3.52Å; A19-L310 HydrophobicContact CB-CG 4.44Å; A19-L313 HydrophobicContact CB-CD2 3.91Å; A19-Y443 HydrophobicContact CB-CD1 4.3Å; A19-Y443 HydrophobicContact CB-CE1 4.23Å; A19-Y443 VanDerWaalsContact O-CE1 3.24Å; A19-Y443 WeakPolarHBondContact O-CE1 3.44Å; A19-T447 HydrophobicContact CB-CG2 3.52Å
20P97.1Very high97.3Very high2 Ų221.6 Ų21.61%0.01310%0.101CC..PPolyproline II helixtrans-66.4121.4177.829.1-35.2000110.1L16 G18 M48 Y66 P444L16-P20 WeakPolarHBondContact O-CB 3.46Å; G18-P20 WeakPolarHBondContact O-CD 3.4Å; P20-M48 HydrophobicContact CB-CE 3.65Å; P20-M48 HydrophobicContact CB-CG 4.07Å; P20-M48 HydrophobicContact CB-SD 4.26Å; P20-M48 HydrophobicContact CG-CE 3.44Å; P20-M48 VanDerWaalsContact CG-CE 3.44Å; P20-M48 HydrophobicContact CG-CG 4.15Å; P20-M48 HydrophobicContact CG-SD 3.78Å; P20-Y66 HydrophobicContact CB-CE2 3.99Å; P20-Y66 WeakPolarHBondContact CB-OH 3.15Å; P20-P444 HydrophobicContact CG-CG 3.99Å; P20-P444 WeakPolarHBondContact O-CD 3.31Å
21P97.8Very high97.3Very high1 Ų124.4 Ų24.41%0.00611%0.114CC..PPolyproline II helixtrans-63.4141.5174.6-16.830000111A19 Y25 L26 L29 Y66 L314 L442 Y443A19-P21 WeakPolarHBondContact O-CD 3.5Å; P21-Y25 HydrophobicContact CB-CD1 3.72Å; P21-Y25 HydrophobicContact CB-CE1 4.32Å; P21-L26 HydrophobicContact CB-CD2 3.79Å; P21-L26 HydrophobicContact CB-CG 3.93Å; P21-L26 HydrophobicContact CG-CD2 3.83Å; P21-L26 HydrophobicContact CG-CG 4.47Å; P21-L29 HydrophobicContact CB-CD1 4.37Å; P21-Y66 PolarHBondContact O-OH 3.48Å; P21-L314 HydrophobicContact CG-CD2 4.31Å; P21-L442 CarbonylContact C-O 3.38Å; P21-L442 WeakPolarHBondContact CA-O 3.37Å; P21-Y443 HydrophobicContact CB-CE1 4.1Å; P21-Y443 HydrophobicContact CG-CE1 3.92Å
22R97.9Very high97.2Very high102 Ų10224.4 Ų24.439%0.38512%0.115SC..PPolyproline II helixtrans-59152173.5-70179.9179-88.4-0.2110.8E24 Y25 L26 V440 N441 L442 Y443R22-E24 VanDerWaalsContact C-N 3.25Å; R22-E24 PolarHBondContact O-N 3.22Å; R22-Y25 WeakPolarHBondContact O-CA 3.49Å; R22-Y25 WeakPolarHBondContact O-CB 3.34Å; R22-Y25 PolarHBondContact O-N 3.15Å; R22-L26 PolarHBondContact O-N 3.49Å; R22-V440 PolarHBondContact NE-O 3.22Å; R22-V440 PolarHBondContact NH2-O 3.13Å; R22-N441 WeakPolarHBondContact CD-O 3.37Å; R22-L442 PolarHBondContact N-O 2.74Å; R22-Y443 PolarHBondContact NE-O 2.63Å; R22-Y443 PolarHBondContact NH2-O 3.26Å
23I97.9Very high97.2Very high15 Ų1524.4 Ų24.48%0.07712%0.115CC..Hα-helixtrans-58.2-37.6-174.8-169.961.4000112.6Y25 L26 H27 Q70 I74I23-Y25 VanDerWaalsContact C-N 3.3Å; I23-Y25 PolarHBondContact O-N 2.68Å; I23-L26 HydrophobicContact CD1-CD1 4.45Å; I23-L26 PolarHBondContact O-N 2.92Å; I23-H27 PolarHBondContact O-N 3.33Å; I23-H27 PolarHBondContact O-ND1 3.45Å; I23-Q70 HydrophobicContact CB-CG 4.31Å; I23-Q70 HydrophobicContact CD1-CB 4.12Å; I23-Q70 HydrophobicContact CG1-CB 4.31Å; I23-Q70 HydrophobicContact CG1-CG 4.15Å; I23-I74 HydrophobicContact CD1-CD1 4.09Å; I23-I74 HydrophobicContact CD1-CG1 3.58Å
24E97.2Very high97Very high119 Ų11926.2 Ų26.256%0.55613%0.127SC*.Hα-helixtrans-63.6-38.7176.9-61.674.2-160.200111.5R22 Q28R22-E24 VanDerWaalsContact C-N 3.25Å; R22-E24 PolarHBondContact O-N 3.22Å; E24-Q28 WeakPolarHBondContact O-CG 3.38Å; E24-Q28 PolarHBondContact O-N 2.82Å
25Y98.1Very high96.9Very high3 Ų330.3 Ų30.31%0.01214%0.142CC..Hα-helixtrans-74-39.6177.3-176.2-140.2000111.4P21 R22 I23 H27 Q28 L29 P315 P366 L442P21-Y25 HydrophobicContact CB-CD1 3.72Å; P21-Y25 HydrophobicContact CB-CE1 4.32Å; R22-Y25 WeakPolarHBondContact O-CA 3.49Å; R22-Y25 WeakPolarHBondContact O-CB 3.34Å; R22-Y25 PolarHBondContact O-N 3.15Å; I23-Y25 VanDerWaalsContact C-N 3.3Å; I23-Y25 PolarHBondContact O-N 2.68Å; Y25-H27 VanDerWaalsContact C-N 3.3Å; Y25-H27 PolarHBondContact O-N 3.04Å; Y25-Q28 WeakPolarHBondContact O-CB 3.39Å; Y25-Q28 PolarHBondContact O-N 3.49Å; Y25-Q28 VanDerWaalsContact O-N 3.13Å; Y25-L29 HydrophobicContact CD1-CD1 3.97Å; Y25-L29 HydrophobicContact CD2-CD1 4.31Å; Y25-L29 HydrophobicContact CD2-CG 4.21Å; Y25-L29 HydrophobicContact CE1-CD1 3.78Å; Y25-L29 HydrophobicContact CE1-CG 4.42Å; Y25-L29 HydrophobicContact CE2-CD1 4.19Å; Y25-L29 HydrophobicContact CE2-CD2 4.05Å; Y25-L29 HydrophobicContact CE2-CG 3.95Å; Y25-L29 HydrophobicContact CG-CD1 4.18Å; Y25-L29 VanDerWaalsContact O-CG 3.31Å; Y25-L29 WeakPolarHBondContact O-CG 3.39Å; Y25-L29 PolarHBondContact O-N 2.81Å; Y25-P315 HydrophobicContact CE1-CG 4.21Å; Y25-P315 VanDerWaalsContact OH-CG 3.31Å; Y25-P315 WeakPolarHBondContact OH-CG 3.27Å; Y25-P366 HydrophobicContact CD2-CB 4.2Å; Y25-P366 HydrophobicContact CE2-CB 3.59Å; Y25-P366 PolarHBondContact OH-O 3.41Å; Y25-L442 HydrophobicContact CD1-CB 3.71Å; Y25-L442 HydrophobicContact CD1-CD1 4.45Å; Y25-L442 HydrophobicContact CD1-CD2 4.18Å; Y25-L442 HydrophobicContact CD1-CG 4.32Å; Y25-L442 HydrophobicContact CD2-CD2 3.81Å; Y25-L442 HydrophobicContact CE1-CB 4.05Å; Y25-L442 HydrophobicContact CE1-CD1 4.13Å; Y25-L442 HydrophobicContact CE1-CG 4.48Å; Y25-L442 HydrophobicContact CE2-CD1 4.3Å; Y25-L442 HydrophobicContact CE2-CD2 4.18Å; Y25-L442 HydrophobicContact CG-CB 4.2Å; Y25-L442 HydrophobicContact CG-CD2 3.84Å; Y25-L442 HydrophobicContact CG-CG 4.47Å
26L98.1Very high96.8Very high1 Ų130.4 Ų30.41%0.00514%0.143CC..Hα-helixtrans-56.1-42.3172.1-76179.2000112.4L14 P21 R22 I23 Q28 L29 I30 Y66 I74L14-L26 HydrophobicContact CD1-CD2 4.31Å; P21-L26 HydrophobicContact CB-CD2 3.79Å; P21-L26 HydrophobicContact CB-CG 3.93Å; P21-L26 HydrophobicContact CG-CD2 3.83Å; P21-L26 HydrophobicContact CG-CG 4.47Å; R22-L26 PolarHBondContact O-N 3.49Å; I23-L26 HydrophobicContact CD1-CD1 4.45Å; I23-L26 PolarHBondContact O-N 2.92Å; L26-Q28 VanDerWaalsContact C-N 3.34Å; L26-Q28 PolarHBondContact O-N 3.23Å; L26-L29 HydrophobicContact CD2-CD1 4.27Å; L26-L29 WeakPolarHBondContact O-CB 3.28Å; L26-L29 PolarHBondContact O-N 2.86Å; L26-I30 WeakPolarHBondContact O-CB 3.19Å; L26-I30 WeakPolarHBondContact O-CG1 3.13Å; L26-I30 PolarHBondContact O-N 2.76Å; L26-Y66 HydrophobicContact CD1-CE1 3.76Å; L26-I74 HydrophobicContact CD1-CD1 3.64Å; L26-I74 HydrophobicContact CD1-CG1 4.07Å
27H98.1Very high96.7Very high55 Ų5531.8 Ų31.826%0.25516%0.157SC..Hα-helixtrans-62.7-39.3176.8-66.7153.9000112.8I23 Y25 I30 E31 S73I23-H27 PolarHBondContact O-N 3.33Å; I23-H27 PolarHBondContact O-ND1 3.45Å; Y25-H27 VanDerWaalsContact C-N 3.3Å; Y25-H27 PolarHBondContact O-N 3.04Å; H27-I30 PolarHBondContact O-N 2.99Å; H27-E31 PolarHBondContact O-N 3.33Å; H27-E31 VanDerWaalsContact O-N 3.07Å; H27-S73 PolarHBondContact CE1-OG 2.92Å; H27-S73 PolarHBondContact NE2-OG 3.29Å
28Q97.5Very high96.9Very high95 Ų9532 Ų3244%0.44416%0.159SC..Hα-helixtrans-64.8-40.7174.4-65.1174.531.700111.7E24 Y25 L26 E31 L32 P366E24-Q28 WeakPolarHBondContact O-CG 3.38Å; E24-Q28 PolarHBondContact O-N 2.82Å; Y25-Q28 WeakPolarHBondContact O-CB 3.39Å; Y25-Q28 PolarHBondContact O-N 3.49Å; Y25-Q28 VanDerWaalsContact O-N 3.13Å; L26-Q28 VanDerWaalsContact C-N 3.34Å; L26-Q28 PolarHBondContact O-N 3.23Å; Q28-E31 PolarHBondContact O-N 3.41Å; Q28-L32 PolarHBondContact O-N 3.36Å; Q28-P366 HydrophobicContact CB-CB 4.04Å; Q28-P366 HydrophobicContact CB-CG 4.04Å
29L98.1Very high97.2Very high0 Ų034.4 Ų34.40%017%0.168CC..Hα-helixtrans-63.8-45.6176.3-69.6164.5000111.5P21 Y25 L26 E31 L32 F33 L314 L318P21-L29 HydrophobicContact CB-CD1 4.37Å; Y25-L29 HydrophobicContact CD1-CD1 3.97Å; Y25-L29 HydrophobicContact CD2-CD1 4.31Å; Y25-L29 HydrophobicContact CD2-CG 4.21Å; Y25-L29 HydrophobicContact CE1-CD1 3.78Å; Y25-L29 HydrophobicContact CE1-CG 4.42Å; Y25-L29 HydrophobicContact CE2-CD1 4.19Å; Y25-L29 HydrophobicContact CE2-CD2 4.05Å; Y25-L29 HydrophobicContact CE2-CG 3.95Å; Y25-L29 HydrophobicContact CG-CD1 4.18Å; Y25-L29 VanDerWaalsContact O-CG 3.31Å; Y25-L29 WeakPolarHBondContact O-CG 3.39Å; Y25-L29 PolarHBondContact O-N 2.81Å; L26-L29 HydrophobicContact CD2-CD1 4.27Å; L26-L29 WeakPolarHBondContact O-CB 3.28Å; L26-L29 PolarHBondContact O-N 2.86Å; L29-E31 VanDerWaalsContact C-N 3.27Å; L29-E31 PolarHBondContact O-N 2.98Å; L29-L32 CarbonylContact O-C 3.49Å; L29-L32 WeakPolarHBondContact O-CB 3.36Å; L29-L32 PolarHBondContact O-N 3.01Å; L29-L32 VanDerWaalsContact O-N 3.08Å; L29-F33 HydrophobicContact CB-CE1 4.35Å; L29-F33 HydrophobicContact CB-CE2 4.14Å; L29-F33 HydrophobicContact CB-CZ 3.93Å; L29-F33 HydrophobicContact CD2-CE1 4.34Å; L29-F33 HydrophobicContact CD2-CZ 4.27Å; L29-F33 WeakPolarHBondContact O-CB 3.43Å; L29-F33 VanDerWaalsContact O-CD1 3.26Å; L29-F33 WeakPolarHBondContact O-CD1 3.44Å; L29-F33 WeakPolarHBondContact O-CD2 3.37Å; L29-F33 WeakPolarHBondContact O-CG 3.44Å; L29-F33 PolarHBondContact O-N 2.85Å; L29-L314 HydrophobicContact CD1-CD2 3.4Å; L29-L314 VanDerWaalsContact CD1-CD2 3.4Å; L29-L314 HydrophobicContact CD2-CD2 4Å; L29-L314 HydrophobicContact CD2-CG 4.39Å; L29-L314 HydrophobicContact CG-CD2 4.32Å; L29-L318 HydrophobicContact CD2-CD1 3.77Å; L29-L318 HydrophobicContact CD2-CD2 3.83Å; L29-L318 HydrophobicContact CD2-CG 4.4Å
30I98.4Very high97.3Very high0 Ų034.4 Ų34.40%017%0.168CC..Hα-helixtrans-59-39.4176.4-72.6168.6000111.2L26 H27 S34 L41 I74 S77 M83L26-I30 WeakPolarHBondContact O-CB 3.19Å; L26-I30 WeakPolarHBondContact O-CG1 3.13Å; L26-I30 PolarHBondContact O-N 2.76Å; H27-I30 PolarHBondContact O-N 2.99Å; I30-S34 PolarHBondContact O-N 3.42Å; I30-S34 VanDerWaalsContact O-N 3.07Å; I30-L41 HydrophobicContact CD1-CD1 4.27Å; I30-L41 HydrophobicContact CG1-CD1 4.05Å; I30-I74 HydrophobicContact CD1-CG2 4.13Å; I30-S77 WeakPolarHBondContact CG2-OG 3.37Å; I30-M83 HydrophobicContact CB-CE 4.41Å; I30-M83 HydrophobicContact CG2-CE 3.55Å; I30-M83 WeakPolarHBondContact O-CE 3.38Å
31E97Very high97.4Very high88 Ų8834.3 Ų34.341%0.41117%0.167SC..Hα-helixtrans-63.9-46.3172.6-176.9167.8160.300112.4H27 Q28 L29 F33 S34 R35 R81H27-E31 PolarHBondContact O-N 3.33Å; H27-E31 VanDerWaalsContact O-N 3.07Å; Q28-E31 PolarHBondContact O-N 3.41Å; L29-E31 VanDerWaalsContact C-N 3.27Å; L29-E31 PolarHBondContact O-N 2.98Å; E31-F33 PolarHBondContact O-N 3.32Å; E31-S34 PolarHBondContact O-N 2.94Å; E31-R35 WeakPolarHBondContact O-CG 3.29Å; E31-R35 PolarHBondContact O-N 2.89Å; E31-R35 VanDerWaalsContact O-N 3.12Å; E31-R81 IonicContact OE2-CZ 2.87Å; E31-R81 IonicContact OE2-NH2 3.94Å; E31-R81 PolarHBondContact OE2-NH2 3.49Å
32L97.3Very high97.4Very high1 Ų134.2 Ų34.21%0.00517%0.167CC..Hα-helixtrans-59.5-46.3175.6173.763.6000111.7Q28 L29 S34 R35 L36 L318 L345 P366Q28-L32 PolarHBondContact O-N 3.36Å; L29-L32 CarbonylContact O-C 3.49Å; L29-L32 WeakPolarHBondContact O-CB 3.36Å; L29-L32 PolarHBondContact O-N 3.01Å; L29-L32 VanDerWaalsContact O-N 3.08Å; L32-S34 VanDerWaalsContact C-N 3.33Å; L32-S34 PolarHBondContact O-N 3.19Å; L32-R35 VanDerWaalsContact CD1-NH2 3.31Å; L32-R35 WeakPolarHBondContact O-CB 3.31Å; L32-R35 PolarHBondContact O-N 3.38Å; L32-R35 VanDerWaalsContact O-N 3.14Å; L32-L36 HydrophobicContact CD1-CD1 3.97Å; L32-L36 HydrophobicContact CD1-CG 4.14Å; L32-L36 HydrophobicContact CD2-CD1 4.45Å; L32-L36 HydrophobicContact CG-CD1 3.84Å; L32-L36 HydrophobicContact CG-CG 4.43Å; L32-L36 WeakPolarHBondContact O-CG 3.44Å; L32-L36 PolarHBondContact O-N 3.44Å; L32-L318 HydrophobicContact CD2-CD1 3.85Å; L32-L318 HydrophobicContact CD2-CD2 4.36Å; L32-L345 HydrophobicContact CD1-CD2 3.66Å; L32-L345 HydrophobicContact CD2-CD2 4.06Å; L32-P366 HydrophobicContact CD2-CG 4.48Å
33F97.9Very high97.5Very high0 Ų029.4 Ų29.40%015%0.149CC..Hα-helixtrans-60.3-43.4-179.6-62.5-12.7000111.5V12 L14 L29 E31 R35 L36 G37 V38 L41 M83 L318 L321V12-F33 HydrophobicContact CB-CD2 4.36Å; V12-F33 HydrophobicContact CB-CE2 4.42Å; V12-F33 HydrophobicContact CG1-CD2 4.22Å; V12-F33 HydrophobicContact CG1-CE1 4.39Å; V12-F33 HydrophobicContact CG1-CE2 3.82Å; V12-F33 HydrophobicContact CG1-CZ 3.91Å; L14-F33 HydrophobicContact CD1-CE2 4.45Å; L14-F33 HydrophobicContact CD2-CE2 4Å; L14-F33 HydrophobicContact CD2-CZ 4.26Å; L14-F33 HydrophobicContact CG-CE2 4.45Å; L29-F33 HydrophobicContact CB-CE1 4.35Å; L29-F33 HydrophobicContact CB-CE2 4.14Å; L29-F33 HydrophobicContact CB-CZ 3.93Å; L29-F33 HydrophobicContact CD2-CE1 4.34Å; L29-F33 HydrophobicContact CD2-CZ 4.27Å; L29-F33 WeakPolarHBondContact O-CB 3.43Å; L29-F33 VanDerWaalsContact O-CD1 3.26Å; L29-F33 WeakPolarHBondContact O-CD1 3.44Å; L29-F33 WeakPolarHBondContact O-CD2 3.37Å; L29-F33 WeakPolarHBondContact O-CG 3.44Å; L29-F33 PolarHBondContact O-N 2.85Å; E31-F33 PolarHBondContact O-N 3.32Å; F33-R35 VanDerWaalsContact C-N 3.35Å; F33-R35 PolarHBondContact O-N 3.29Å; F33-L36 CarbonylContact O-C 3.56Å; F33-L36 PolarHBondContact O-N 3.1Å; F33-L36 VanDerWaalsContact O-N 3.13Å; F33-G37 PolarHBondContact O-N 3Å; F33-V38 HydrophobicContact CB-CB 4.04Å; F33-V38 HydrophobicContact CB-CG1 4.39Å; F33-V38 HydrophobicContact CB-CG2 3.89Å; F33-V38 VanDerWaalsContact O-CB 3.29Å; F33-V38 WeakPolarHBondContact O-CB 3.41Å; F33-V38 WeakPolarHBondContact O-CG2 3.18Å; F33-V38 PolarHBondContact O-N 3.39Å; F33-V38 VanDerWaalsContact O-N 3.12Å; F33-L41 HydrophobicContact CD2-CD2 3.73Å; F33-L41 HydrophobicContact CE2-CD2 4.28Å; F33-M83 HydrophobicContact CB-CE 4.49Å; F33-M83 HydrophobicContact CB-SD 4.26Å; F33-L318 HydrophobicContact CE1-CD2 4.25Å; F33-L321 HydrophobicContact CD1-CD2 3.8Å; F33-L321 HydrophobicContact CE1-CD2 3.31Å; F33-L321 HydrophobicContact CZ-CD2 4.05Å
34S96.3Very high97.5Very high38 Ų3828.8 Ų28.827%0.26615%0.145SC..Hα-helixtrans-58.9-45.1174.3177.50000112I30 E31 L32 L36 G37I30-S34 PolarHBondContact O-N 3.42Å; I30-S34 VanDerWaalsContact O-N 3.07Å; E31-S34 PolarHBondContact O-N 2.94Å; L32-S34 VanDerWaalsContact C-N 3.33Å; L32-S34 PolarHBondContact O-N 3.19Å; S34-L36 VanDerWaalsContact C-N 3.27Å; S34-L36 PolarHBondContact O-N 3.03Å; S34-G37 PolarHBondContact O-N 3.42Å
35R95.3Very high97.5Very high95 Ų9523.3 Ų23.336%0.35812%0.12SC..Hα-helixtrans-61.2-36.9176-67.1-177.1-55.2-177.46.5112.1E31 L32 F33 G37 M344 L364E31-R35 WeakPolarHBondContact O-CG 3.29Å; E31-R35 PolarHBondContact O-N 2.89Å; E31-R35 VanDerWaalsContact O-N 3.12Å; L32-R35 VanDerWaalsContact CD1-NH2 3.31Å; L32-R35 WeakPolarHBondContact O-CB 3.31Å; L32-R35 PolarHBondContact O-N 3.38Å; L32-R35 VanDerWaalsContact O-N 3.14Å; F33-R35 VanDerWaalsContact C-N 3.35Å; F33-R35 PolarHBondContact O-N 3.29Å; R35-G37 PolarHBondContact O-N 2.9Å; R35-M344 VanDerWaalsContact C-CE 3.43Å; R35-M344 HydrophobicContact CB-CE 4.04Å; R35-M344 WeakPolarHBondContact O-CE 3.42Å; R35-L364 PolarHBondContact NH2-O 3.14Å
36L95.5Very high97.4Very high2 Ų223.5 Ų23.51%0.0112%0.121CC..THydrogen-bonded Turntrans-72.2-2.5176.3-66.6168.4000113.9L32 F33 S34 A322 L325 M344L32-L36 HydrophobicContact CD1-CD1 3.97Å; L32-L36 HydrophobicContact CD1-CG 4.14Å; L32-L36 HydrophobicContact CD2-CD1 4.45Å; L32-L36 HydrophobicContact CG-CD1 3.84Å; L32-L36 HydrophobicContact CG-CG 4.43Å; L32-L36 WeakPolarHBondContact O-CG 3.44Å; L32-L36 PolarHBondContact O-N 3.44Å; F33-L36 CarbonylContact O-C 3.56Å; F33-L36 PolarHBondContact O-N 3.1Å; F33-L36 VanDerWaalsContact O-N 3.13Å; S34-L36 VanDerWaalsContact C-N 3.27Å; S34-L36 PolarHBondContact O-N 3.03Å; L36-A322 HydrophobicContact CD1-CB 4.1Å; L36-A322 HydrophobicContact CD2-CB 3.72Å; L36-L325 HydrophobicContact CB-CD1 3.73Å; L36-L325 HydrophobicContact CD1-CD1 4.06Å; L36-L325 HydrophobicContact CG-CD1 4.47Å; L36-M344 HydrophobicContact CD2-CE 3.69Å; L36-M344 HydrophobicContact CD2-SD 4.04Å; L36-M344 HydrophobicContact CG-CE 4.21Å
37G94.4Very high97.4Very high31 Ų3124 Ų2432%0.3212%0.124SC..THydrogen-bonded Turntrans76.637.5177.200000113.1K10 F33 S34 R35K10-G37 PolarHBondContact NZ-O 2.98Å; F33-G37 PolarHBondContact O-N 3Å; S34-G37 PolarHBondContact O-N 3.42Å; R35-G37 PolarHBondContact O-N 2.9Å
38V97.5Very high97.4Very high9 Ų921.6 Ų21.66%0.05511%0.113CC..  trans-77.5138.8171.61750000109.8V12 F33 G40 M83 L325V12-V38 HydrophobicContact CB-CG1 4.24Å; V12-V38 HydrophobicContact CG2-CB 4.29Å; V12-V38 HydrophobicContact CG2-CG1 3.75Å; V12-V38 HydrophobicContact CG2-CG2 3.47Å; V12-V38 VanDerWaalsContact CG2-CG2 3.47Å; F33-V38 HydrophobicContact CB-CB 4.04Å; F33-V38 HydrophobicContact CB-CG1 4.39Å; F33-V38 HydrophobicContact CB-CG2 3.89Å; F33-V38 VanDerWaalsContact O-CB 3.29Å; F33-V38 WeakPolarHBondContact O-CB 3.41Å; F33-V38 WeakPolarHBondContact O-CG2 3.18Å; F33-V38 PolarHBondContact O-N 3.39Å; F33-V38 VanDerWaalsContact O-N 3.12Å; V38-G40 WeakPolarHBondContact CG1-O 3.46Å; V38-M83 HydrophobicContact CB-SD 3.91Å; V38-M83 HydrophobicContact CG1-SD 3.8Å; V38-M83 WeakPolarHBondContact O-CG 3.5Å; V38-L325 HydrophobicContact CG2-CD1 3.58Å; V38-L325 HydrophobicContact CG2-CD2 4.09Å
39D97.7Very high97.4Very high65 Ų6517.1 Ų17.135%0.3489%0.092SC..  trans-96.6-18.4-177.5-60.1-68.1000112.8K9 K10 M83 E84K9-D39 HydrophobicContact CB-CB 3.96Å; K9-D39 HydrophobicContact CG-CB 4.32Å; K10-D39 WeakPolarHBondContact CE-OD2 3.34Å; K10-D39 PolarHBondContact N-OD2 2.99Å; K10-D39 PolarHBondContact O-N 3.15Å; D39-M83 WeakPolarHBondContact O-CA 3.38Å; D39-E84 PolarHBondContact O-N 2.99Å
40G98Very high97.4Very high0 Ų017.6 Ų17.60%09%0.094CC..EExtended strand (participates in β ladder)trans-173.8172.7-179.200000113.8K10 L11 V12 V38 E84K10-G40 PolarHBondContact O-N 3.13Å; L11-G40 CarbonylContact C-O 3.4Å; L11-G40 VanDerWaalsContact CA-O 3.26Å; L11-G40 WeakPolarHBondContact CA-O 3.35Å; V12-G40 PolarHBondContact N-O 3Å; V38-G40 WeakPolarHBondContact CG1-O 3.46Å; G40-E84 CarbonylContact C-O 3.58Å; G40-E84 WeakPolarHBondContact CA-O 3.09Å
41L98.8Very high97.4Very high0 Ų017.8 Ų17.80%010%0.095CC..EExtended strand (participates in β ladder)trans-112.5133.6175.4-50.8178000108.8V12 L14 I30 F33 V43 A78 E84 V85 I86V12-L41 HydrophobicContact CB-CD2 4.46Å; V12-L41 CarbonylContact O-C 3.57Å; V12-L41 WeakPolarHBondContact O-CA 3.41Å; L14-L41 HydrophobicContact CD1-CD1 4.19Å; I30-L41 HydrophobicContact CD1-CD1 4.27Å; I30-L41 HydrophobicContact CG1-CD1 4.05Å; F33-L41 HydrophobicContact CD2-CD2 3.73Å; F33-L41 HydrophobicContact CE2-CD2 4.28Å; L41-V43 HydrophobicContact CB-CG2 3.75Å; L41-A78 HydrophobicContact CD1-CB 4.16Å; L41-E84 PolarHBondContact N-O 2.99Å; L41-V85 HydrophobicContact CD1-CG2 4.24Å; L41-I86 PolarHBondContact O-N 2.82Å
42L98.9Very high97.5Very high0 Ų018.1 Ų18.10%010%0.097CC..EExtended strand (participates in β ladder)trans-96.9117.7161.5-179.765.8000106.1L11 V12 H13 L14 I86 L88 H146 W199 M223 A297L11-L42 HydrophobicContact CB-CB 4.46Å; V12-L42 PolarHBondContact O-N 3.48Å; H13-L42 CarbonylContact C-O 3.46Å; H13-L42 VanDerWaalsContact CA-O 3.24Å; H13-L42 WeakPolarHBondContact CA-O 3.48Å; H13-L42 PolarHBondContact CD2-O 3.45Å; H13-L42 VanDerWaalsContact CD2-O 3.29Å; L14-L42 PolarHBondContact N-O 2.9Å; L42-I86 CarbonylContact C-O 2.93Å; L42-I86 WeakPolarHBondContact CA-O 3.45Å; L42-I86 HydrophobicContact CD1-CB 4.22Å; L42-I86 HydrophobicContact CD1-CG2 3.84Å; L42-L88 HydrophobicContact CD1-CB 4.1Å; L42-L88 HydrophobicContact CD1-CD1 4.38Å; L42-L88 HydrophobicContact CD2-CD1 4.23Å; L42-L88 HydrophobicContact CG-CB 4.5Å; L42-L88 HydrophobicContact CG-CD1 4.37Å; L42-H146 HydrophobicContact CD1-CB 3.9Å; L42-W199 HydrophobicContact CD2-CH2 4.37Å; L42-M223 HydrophobicContact CD2-SD 4.48Å; L42-A297 HydrophobicContact CD2-CB 3.99Å
43V98.8Very high97.5Very high1 Ų121 Ų211%0.00613%0.127CC..EExtended strand (participates in β ladder)trans-120.1113.3-170.7-1740000110.4L14 L16 L41 Y45 V85 I86 P87 L88L14-V43 HydrophobicContact CB-CG2 4.45Å; L14-V43 HydrophobicContact CD1-CG2 4.46Å; L16-V43 HydrophobicContact CD1-CG1 3.54Å; L16-V43 HydrophobicContact CG-CG1 4.21Å; L41-V43 HydrophobicContact CB-CG2 3.75Å; V43-Y45 HydrophobicContact CB-CE2 4.03Å; V43-Y45 HydrophobicContact CG1-CD1 4.08Å; V43-Y45 HydrophobicContact CG1-CD2 4Å; V43-Y45 HydrophobicContact CG1-CE1 3.7Å; V43-Y45 HydrophobicContact CG1-CE2 3.62Å; V43-Y45 HydrophobicContact CG1-CG 4.22Å; V43-Y45 VanDerWaalsContact CG1-CZ 3.45Å; V43-V85 HydrophobicContact CB-CG1 4.41Å; V43-V85 HydrophobicContact CG2-CG1 3.75Å; V43-I86 PolarHBondContact N-O 2.78Å; V43-P87 CarbonylContact O-C 3.57Å; V43-P87 WeakPolarHBondContact O-CA 3.16Å; V43-L88 PolarHBondContact O-N 2.97Å
44E98.2Very high97.4Very high1 Ų129.7 Ų29.71%0.00517%0.168CC..EExtended strand (participates in β ladder)trans-98.7110.8172.9-176175-13200109H13 L14 L16 K17 E46 L88 Q90 W301H13-E44 IonicContact CE1-OE2 2.8Å; L14-E44 PolarHBondContact O-N 3.1Å; L16-E44 WeakPolarHBondContact CB-O 3.4Å; L16-E44 PolarHBondContact N-O 3Å; K17-E44 IonicContact NZ-OE2 3.85Å; K17-E44 PolarHBondContact NZ-OE2 3.18Å; E44-E46 HydrophobicContact CG-CG 4.17Å; E44-L88 HydrophobicContact CB-CB 4.12Å; E44-L88 HydrophobicContact CB-CD2 4.42Å; E44-L88 HydrophobicContact CG-CD2 4.03Å; E44-L88 WeakPolarHBondContact OE1-CD2 3.28Å; E44-Q90 PolarHBondContact OE1-NE2 3.47Å; E44-W301 VanDerWaalsContact OE2-CZ3 3.27Å; E44-W301 WeakPolarHBondContact OE2-CZ3 3.38Å
45Y97.6Very high97.5Very high4 Ų428.5 Ų28.52%0.01616%0.158CC..  trans-89.7-35.3-176.1-63.3-87.9000113.6L16 V43 D47 M48 F49 V71 P87 H139L16-Y45 HydrophobicContact CD1-CD1 3.65Å; L16-Y45 HydrophobicContact CD1-CE1 3.91Å; L16-Y45 HydrophobicContact CD1-CG 4.41Å; V43-Y45 HydrophobicContact CB-CE2 4.03Å; V43-Y45 HydrophobicContact CG1-CD1 4.08Å; V43-Y45 HydrophobicContact CG1-CD2 4Å; V43-Y45 HydrophobicContact CG1-CE1 3.7Å; V43-Y45 HydrophobicContact CG1-CE2 3.62Å; V43-Y45 HydrophobicContact CG1-CG 4.22Å; V43-Y45 VanDerWaalsContact CG1-CZ 3.45Å; Y45-D47 PolarHBondContact O-N 3.17Å; Y45-M48 VanDerWaalsContact O-CB 3.3Å; Y45-M48 WeakPolarHBondContact O-CB 3.37Å; Y45-M48 PolarHBondContact O-N 3.16Å; Y45-F49 HydrophobicContact CD1-CD2 4.28Å; Y45-F49 HydrophobicContact CD2-CD2 4.14Å; Y45-F49 HydrophobicContact CG-CB 4.34Å; Y45-F49 AromaticContact CG-CD2 3.99Å; Y45-F49 HydrophobicContact CG-CD2 3.99Å; Y45-V71 HydrophobicContact CE1-CG1 4.5Å; Y45-V71 HydrophobicContact CE1-CG2 4.3Å; Y45-P87 HydrophobicContact CE2-CB 4.16Å; Y45-H139 AromaticContact CE2-CE1 3.68Å; Y45-H139 AromaticContact CE2-NE2 3.79Å; Y45-H139 AromaticContact CZ-CE1 3.87Å; Y45-H139 AromaticContact CZ-NE2 3.84Å; Y45-H139 PolarHBondContact OH-CE1 3.09Å; Y45-H139 PolarHBondContact OH-NE2 3.44Å
46E96.5Very high97.6Very high7 Ų729.7 Ų29.73%0.03317%0.168CC..G310 helixtrans40.5-123.1-165.9-67.4-170.3-176.100112.9K17 E44 M48 F49 Y51 F97 H306K17-E46 HydrophobicContact CB-CB 4.37Å; K17-E46 WeakPolarHBondContact CB-OE2 3.23Å; K17-E46 HydrophobicContact CD-CG 4.38Å; K17-E46 WeakPolarHBondContact CD-OE1 3.25Å; K17-E46 WeakPolarHBondContact CD-OE2 3.31Å; K17-E46 IonicContact NZ-OE1 3.89Å; E44-E46 HydrophobicContact CG-CG 4.17Å; E46-M48 PolarHBondContact O-N 2.86Å; E46-F49 PolarHBondContact O-N 3.26Å; E46-Y51 WeakPolarHBondContact O-CE2 3.39Å; E46-F97 HydrophobicContact CB-CD1 4.02Å; E46-F97 HydrophobicContact CB-CD2 4.26Å; E46-F97 HydrophobicContact CB-CE1 4.26Å; E46-F97 HydrophobicContact CB-CE2 4.47Å; E46-F97 HydrophobicContact CB-CG 4.03Å; E46-F97 HydrophobicContact CB-CZ 4.48Å; E46-F97 HydrophobicContact CG-CD1 3.89Å; E46-F97 HydrophobicContact CG-CE1 4Å; E46-F97 HydrophobicContact CG-CG 4.39Å; E46-H306 IonicContact OE2-CE1 2.87Å; E46-H306 IonicContact OE2-CG 3.39Å; E46-H306 IonicContact OE2-ND1 3.93Å; E46-H306 PolarHBondContact OE2-ND1 3.1Å
47D97.2Very high97.7Very high13 Ų1332.6 Ų32.67%0.0718%0.183CC..G310 helixtrans-77.8-2.1-17867.8-16.1000113.9Y45 F49 L58 Q59 A60 T65 F97 K100 H306Y45-D47 PolarHBondContact O-N 3.17Å; D47-F49 VanDerWaalsContact C-N 3.32Å; D47-L58 WeakPolarHBondContact CA-O 3.47Å; D47-L58 WeakPolarHBondContact CB-O 3.47Å; D47-Q59 CarbonylContact O-C 3.45Å; D47-Q59 WeakPolarHBondContact O-CA 3.32Å; D47-A60 HydrophobicContact CB-CB 4.39Å; D47-A60 PolarHBondContact O-N 2.82Å; D47-T65 WeakPolarHBondContact O-CG2 3.07Å; D47-F97 HydrophobicContact CB-CB 4.31Å; D47-F97 HydrophobicContact CB-CD2 4.22Å; D47-K100 IonicContact OD2-NZ 3.77Å; D47-K100 PolarHBondContact OD2-NZ 2.96Å; D47-H306 VanDerWaalsContact CG-CE1 3.47Å; D47-H306 IonicContact OD1-CE1 2.83Å; D47-H306 IonicContact OD2-CE1 3.01Å; D47-H306 PolarHBondContact OD2-CE1 3.23Å; D47-H306 IonicContact OD2-NE2 2.81Å
48M98.1Very high97.9Very high4 Ų431.1 Ų31.12%0.0217%0.168CC..G310 helixtrans-86.1-4.6172.3-66.7-58.8-52.200113.4L16 P20 Y45 E46 A60 Q63 P64 T65 Y66L16-M48 HydrophobicContact CB-CB 4.5Å; L16-M48 VanDerWaalsContact O-CG 3.3Å; L16-M48 WeakPolarHBondContact O-CG 3.34Å; P20-M48 HydrophobicContact CB-CE 3.65Å; P20-M48 HydrophobicContact CB-CG 4.07Å; P20-M48 HydrophobicContact CB-SD 4.26Å; P20-M48 HydrophobicContact CG-CE 3.44Å; P20-M48 VanDerWaalsContact CG-CE 3.44Å; P20-M48 HydrophobicContact CG-CG 4.15Å; P20-M48 HydrophobicContact CG-SD 3.78Å; Y45-M48 VanDerWaalsContact O-CB 3.3Å; Y45-M48 WeakPolarHBondContact O-CB 3.37Å; Y45-M48 PolarHBondContact O-N 3.16Å; E46-M48 PolarHBondContact O-N 2.86Å; M48-A60 HydrophobicContact SD-CB 3.78Å; M48-Q63 HydrophobicContact SD-CG 4.15Å; M48-P64 WeakPolarHBondContact CE-O 3.36Å; M48-T65 WeakPolarHBondContact O-CB 3.45Å; M48-Y66 HydrophobicContact CB-CD2 4.08Å; M48-Y66 HydrophobicContact CB-CE2 4.08Å; M48-Y66 HydrophobicContact CE-CD2 4.31Å; M48-Y66 HydrophobicContact CE-CE2 4.24Å; M48-Y66 WeakPolarHBondContact O-CD2 3.21Å; M48-Y66 PolarHBondContact O-N 3.1Å; M48-Y66 VanDerWaalsContact O-N 3.09Å
49F98.6Very high97.9Very high1 Ų132.8 Ų32.80%0.00418%0.175CC..SBendtrans-76.8138.9171.5-169-96.7000111.1Y45 E46 D47 Y51 V71 Q134 V135 L138Y45-F49 HydrophobicContact CD1-CD2 4.28Å; Y45-F49 HydrophobicContact CD2-CD2 4.14Å; Y45-F49 HydrophobicContact CG-CB 4.34Å; Y45-F49 AromaticContact CG-CD2 3.99Å; Y45-F49 HydrophobicContact CG-CD2 3.99Å; E46-F49 PolarHBondContact O-N 3.26Å; D47-F49 VanDerWaalsContact C-N 3.32Å; F49-Y51 HydrophobicContact CB-CD2 4.1Å; F49-Y51 HydrophobicContact CB-CE2 3.74Å; F49-Y51 AromaticContact CD1-CD1 3.57Å; F49-Y51 HydrophobicContact CD1-CD1 3.57Å; F49-Y51 HydrophobicContact CD1-CD2 4.04Å; F49-Y51 AromaticContact CD1-CE1 3.55Å; F49-Y51 HydrophobicContact CD1-CE1 3.55Å; F49-Y51 HydrophobicContact CD1-CE2 4.06Å; F49-Y51 AromaticContact CD1-CG 3.81Å; F49-Y51 HydrophobicContact CD1-CG 3.81Å; F49-Y51 AromaticContact CD1-CZ 3.8Å; F49-Y51 HydrophobicContact CE1-CD1 4.03Å; F49-Y51 HydrophobicContact CE1-CE1 4.08Å; F49-Y51 HydrophobicContact CG-CE1 4.35Å; F49-Y51 HydrophobicContact CG-CE2 4.33Å; F49-Y51 PolarHBondContact O-N 3.17Å; F49-V71 HydrophobicContact CE2-CG1 4.5Å; F49-Q134 HydrophobicContact CE1-CB 4Å; F49-V135 HydrophobicContact CD1-CG2 4.2Å; F49-V135 HydrophobicContact CD2-CG2 4.05Å; F49-V135 HydrophobicContact CE1-CG2 3.98Å; F49-V135 HydrophobicContact CE2-CB 4.33Å; F49-V135 HydrophobicContact CE2-CG2 3.82Å; F49-V135 HydrophobicContact CG-CG2 4.24Å; F49-V135 HydrophobicContact CZ-CB 4.23Å; F49-V135 HydrophobicContact CZ-CG2 3.77Å; F49-L138 HydrophobicContact CE1-CD1 4.28Å; F49-L138 HydrophobicContact CE2-CB 4.26Å; F49-L138 HydrophobicContact CE2-CD1 3.89Å; F49-L138 HydrophobicContact CZ-CB 4.06Å; F49-L138 HydrophobicContact CZ-CD1 3.5Å; F49-L138 HydrophobicContact CZ-CG 3.99Å
50P98.1Very high97.8Very high9 Ų930.4 Ų30.46%0.05817%0.165CC..  trans-75.768.2177.729.3-33000112.2Y66 R68 V71 L138P50-Y66 WeakPolarHBondContact CB-O 3.17Å; P50-Y66 WeakPolarHBondContact CD-O 3.11Å; P50-Y66 VanDerWaalsContact CG-O 3.24Å; P50-Y66 WeakPolarHBondContact CG-O 3.4Å; P50-R68 HydrophobicContact CG-CG 4.35Å; P50-V71 HydrophobicContact CG-CG2 4.24Å; P50-L138 HydrophobicContact CG-CD1 3.9Å
51Y98.5Very high97.5Very high5 Ų536.5 Ų36.52%0.0220%0.202CC..  trans-63.2139.9176-70-69.7000111.8E46 F49 L55 Q56 L58 Q59 F97 M131 Q134 V135E46-Y51 WeakPolarHBondContact O-CE2 3.39Å; F49-Y51 HydrophobicContact CB-CD2 4.1Å; F49-Y51 HydrophobicContact CB-CE2 3.74Å; F49-Y51 AromaticContact CD1-CD1 3.57Å; F49-Y51 HydrophobicContact CD1-CD1 3.57Å; F49-Y51 HydrophobicContact CD1-CD2 4.04Å; F49-Y51 AromaticContact CD1-CE1 3.55Å; F49-Y51 HydrophobicContact CD1-CE1 3.55Å; F49-Y51 HydrophobicContact CD1-CE2 4.06Å; F49-Y51 AromaticContact CD1-CG 3.81Å; F49-Y51 HydrophobicContact CD1-CG 3.81Å; F49-Y51 AromaticContact CD1-CZ 3.8Å; F49-Y51 HydrophobicContact CE1-CD1 4.03Å; F49-Y51 HydrophobicContact CE1-CE1 4.08Å; F49-Y51 HydrophobicContact CG-CE1 4.35Å; F49-Y51 HydrophobicContact CG-CE2 4.33Å; F49-Y51 PolarHBondContact O-N 3.17Å; Y51-L55 VanDerWaalsContact CB-O 3.25Å; Y51-L55 WeakPolarHBondContact CB-O 3.25Å; Y51-L55 HydrophobicContact CD1-CB 4.21Å; Y51-L55 HydrophobicContact CD1-CD1 4.06Å; Y51-L55 HydrophobicContact CE1-CD1 4.46Å; Y51-L55 HydrophobicContact CG-CB 4.19Å; Y51-Q56 WeakPolarHBondContact O-CA 3.48Å; Y51-L58 HydrophobicContact CD2-CB 3.88Å; Y51-L58 HydrophobicContact CD2-CD1 4.25Å; Y51-L58 HydrophobicContact CE2-CB 4.36Å; Y51-L58 HydrophobicContact CE2-CD1 4.33Å; Y51-L58 HydrophobicContact CG-CD1 4.48Å; Y51-Q59 PolarHBondContact O-NE2 3.43Å; Y51-F97 HydrophobicContact CE2-CE2 4.33Å; Y51-M131 HydrophobicContact CE1-CB 3.98Å; Y51-M131 HydrophobicContact CE1-CG 3.92Å; Y51-Q134 VanDerWaalsContact CA-OE1 3.27Å; Y51-Q134 HydrophobicContact CD1-CB 4.47Å; Y51-V135 HydrophobicContact CE1-CG2 4.42Å
52E97.9Very high97.2Very high95 Ų9541.9 Ų41.944%0.44424%0.235SC..  trans-116.1168.6-179.4-69.9174.8-173.800111.8L55 R68 Q134E52-L55 PolarHBondContact O-N 3.01Å; E52-R68 VanDerWaalsContact CD-NH1 3.34Å; E52-R68 WeakPolarHBondContact OE1-CD 3.37Å; E52-R68 IonicContact OE1-CZ 3.33Å; E52-R68 IonicContact OE1-NE 2.91Å; E52-R68 IonicContact OE1-NH1 3.95Å; E52-R68 PolarHBondContact OE1-NH1 3.35Å; E52-R68 IonicContact OE2-NH1 3.49Å; E52-R68 PolarHBondContact OE2-NH1 2.75Å; E52-Q134 PolarHBondContact O-NE2 2.64Å
53G97.3Very high96.8Very high62 Ų6242.7 Ų42.764%0.63924%0.238SC*.G310 helixtrans65.3-134.4177.600000112.4L55 Q56G53-L55 PolarHBondContact O-N 3.39Å; G53-Q56 VanDerWaalsContact O-CB 3.28Å; G53-Q56 WeakPolarHBondContact O-CB 3.38Å; G53-Q56 PolarHBondContact O-N 3.36Å; G53-Q56 VanDerWaalsContact O-N 3.13Å
54E96.2Very high96.5Very high182 Ų18248.1 Ų48.185%0.8527%0.274SS*.G310 helixtrans-63.6-25.6180-61.7-172.6153.300112.7Q56 L57E54-Q56 VanDerWaalsContact C-N 3.33Å; E54-L57 WeakPolarHBondContact O-CD2 3.32Å
55L98.3Very high96.4Very high12 Ų1249.2 Ų49.26%0.06328%0.28CS..G310 helixtrans-84.2-3.8178.2-60.6-164.9000113.6Y51 E52 G53 L57 L58 M127 E130 M131Y51-L55 VanDerWaalsContact CB-O 3.25Å; Y51-L55 WeakPolarHBondContact CB-O 3.25Å; Y51-L55 HydrophobicContact CD1-CB 4.21Å; Y51-L55 HydrophobicContact CD1-CD1 4.06Å; Y51-L55 HydrophobicContact CE1-CD1 4.46Å; Y51-L55 HydrophobicContact CG-CB 4.19Å; E52-L55 PolarHBondContact O-N 3.01Å; G53-L55 PolarHBondContact O-N 3.39Å; L55-L57 PolarHBondContact O-N 3.44Å; L55-L57 VanDerWaalsContact O-N 3.08Å; L55-L58 HydrophobicContact CB-CD1 4.04Å; L55-L58 HydrophobicContact CB-CG 4.36Å; L55-L58 HydrophobicContact CD1-CD1 4.31Å; L55-L58 HydrophobicContact CD2-CD1 4.01Å; L55-L58 HydrophobicContact CG-CD1 4.35Å; L55-L58 VanDerWaalsContact O-CB 3.23Å; L55-L58 WeakPolarHBondContact O-CB 3.23Å; L55-L58 VanDerWaalsContact O-CG 3.31Å; L55-L58 WeakPolarHBondContact O-CG 3.35Å; L55-L58 PolarHBondContact O-N 3.43Å; L55-M127 HydrophobicContact CD2-CG 4.06Å; L55-E130 HydrophobicContact CD1-CB 4.1Å; L55-E130 HydrophobicContact CD1-CG 3.61Å; L55-E130 HydrophobicContact CG-CG 3.95Å; L55-M131 HydrophobicContact CD1-CB 4.26Å; L55-M131 HydrophobicContact CD1-CG 3.55Å
56Q97.9Very high96.4Very high121 Ų12149.4 Ų49.457%0.56528%0.281SS*.G310 helixtrans-55.7-29.9175.8-175.4178.337.400112.1Y51 G53 E54 L58 Q59Y51-Q56 WeakPolarHBondContact O-CA 3.48Å; G53-Q56 VanDerWaalsContact O-CB 3.28Å; G53-Q56 WeakPolarHBondContact O-CB 3.38Å; G53-Q56 PolarHBondContact O-N 3.36Å; G53-Q56 VanDerWaalsContact O-N 3.13Å; E54-Q56 VanDerWaalsContact C-N 3.33Å; Q56-L58 PolarHBondContact O-N 2.99Å; Q56-L58 VanDerWaalsContact O-N 3.16Å; Q56-Q59 WeakPolarHBondContact O-CB 3.42Å; Q56-Q59 WeakPolarHBondContact O-CG 3.32Å; Q56-Q59 PolarHBondContact O-N 2.81Å; Q56-Q59 VanDerWaalsContact O-N 3.16Å
57L97.5Very high96.5Very high62 Ų6251 Ų5133%0.32529%0.293SS..G310 helixtrans-60.2-24176.974.189000113.1E54 L55 Q59 H101 L104E54-L57 WeakPolarHBondContact O-CD2 3.32Å; L55-L57 PolarHBondContact O-N 3.44Å; L55-L57 VanDerWaalsContact O-N 3.08Å; L57-Q59 PolarHBondContact O-N 2.8Å; L57-H101 HydrophobicContact CD1-CB 3.49Å; L57-H101 VanDerWaalsContact CD1-CB 3.49Å; L57-H101 PolarHBondContact O-CE1 3.24Å; L57-H101 PolarHBondContact O-NE2 3.4Å; L57-L104 HydrophobicContact CD1-CD1 3.96Å
58L97.9Very high96.5Very high0 Ų054.8 Ų54.80%031%0.306CS..G310 helixtrans-73.8-15-179.2-56.7-175.5000112.9D47 Y51 L55 Q56 V98 L104 M131D47-L58 WeakPolarHBondContact CA-O 3.47Å; D47-L58 WeakPolarHBondContact CB-O 3.47Å; Y51-L58 HydrophobicContact CD2-CB 3.88Å; Y51-L58 HydrophobicContact CD2-CD1 4.25Å; Y51-L58 HydrophobicContact CE2-CB 4.36Å; Y51-L58 HydrophobicContact CE2-CD1 4.33Å; Y51-L58 HydrophobicContact CG-CD1 4.48Å; L55-L58 HydrophobicContact CB-CD1 4.04Å; L55-L58 HydrophobicContact CB-CG 4.36Å; L55-L58 HydrophobicContact CD1-CD1 4.31Å; L55-L58 HydrophobicContact CD2-CD1 4.01Å; L55-L58 HydrophobicContact CG-CD1 4.35Å; L55-L58 VanDerWaalsContact O-CB 3.23Å; L55-L58 WeakPolarHBondContact O-CB 3.23Å; L55-L58 VanDerWaalsContact O-CG 3.31Å; L55-L58 WeakPolarHBondContact O-CG 3.35Å; L55-L58 PolarHBondContact O-N 3.43Å; Q56-L58 PolarHBondContact O-N 2.99Å; Q56-L58 VanDerWaalsContact O-N 3.16Å; L58-V98 HydrophobicContact CD1-CG2 4.25Å; L58-V98 HydrophobicContact CD2-CB 4.06Å; L58-V98 HydrophobicContact CD2-CG1 3.85Å; L58-V98 HydrophobicContact CD2-CG2 4.04Å; L58-L104 HydrophobicContact CD2-CD1 3.92Å; L58-M131 HydrophobicContact CD1-CG 4.09Å; L58-M131 HydrophobicContact CD1-SD 3.84Å
59Q97.6Very high96.6Very high44 Ų4460.7 Ų60.721%0.20633%0.334CS..SBendtrans-63.3146.6-179.3-68.6-1729.700111.7D47 Y51 Q56 L57 T61 T65D47-Q59 CarbonylContact O-C 3.45Å; D47-Q59 WeakPolarHBondContact O-CA 3.32Å; Y51-Q59 PolarHBondContact O-NE2 3.43Å; Q56-Q59 WeakPolarHBondContact O-CB 3.42Å; Q56-Q59 WeakPolarHBondContact O-CG 3.32Å; Q56-Q59 PolarHBondContact O-N 2.81Å; Q56-Q59 VanDerWaalsContact O-N 3.16Å; L57-Q59 PolarHBondContact O-N 2.8Å; Q59-T61 PolarHBondContact O-N 3.48Å; Q59-T65 HydrophobicContact CB-CG2 3.62Å; Q59-T65 HydrophobicContact CG-CG2 3.85Å
60A95.6Very high96.6Very high16 Ų1663.6 Ų63.613%0.13235%0.348CS..  trans-54.8135.6170.200000110.2D47 M48 T65D47-A60 HydrophobicContact CB-CB 4.39Å; D47-A60 PolarHBondContact O-N 2.82Å; M48-A60 HydrophobicContact SD-CB 3.78Å; A60-T65 HydrophobicContact CB-CG2 4.29Å
61T92.6Very high96.6Very high127 Ų12763.2 Ų63.278%0.77935%0.345SS*.SBendtrans-104.7-21.4-177.852.30000113.2Q59Q59-T61 PolarHBondContact O-N 3.48Å
62V91.6Very high96.6Very high114 Ų11465.8 Ų65.869%0.69136%0.359SS*.SBendtrans-76.8-29.1179.9-171.20000110.9S446V62-S446 VanDerWaalsContact CG1-CB 3.44Å
63Q90.9Very high96.6Very high17 Ų1762.9 Ų62.98%0.07935%0.349CS..SBendtrans-146.6155.9-179.966.7-159-4.500111.5G18 M48 P444 S446G18-Q63 PolarHBondContact O-NE2 2.98Å; M48-Q63 HydrophobicContact SD-CG 4.15Å; Q63-P444 HydrophobicContact CB-CB 4.16Å; Q63-P444 HydrophobicContact CG-CG 4.48Å; Q63-P444 VanDerWaalsContact OE1-CG 3.25Å; Q63-S446 PolarHBondContact OE1-OG 3.11Å
64P91.8Very high96.6Very high115 Ų11560.1 Ų60.175%0.74732%0.319SS*.PPolyproline II helixtrans-61137.1175.8-21.833.4000111.9M48M48-P64 WeakPolarHBondContact CE-O 3.36Å
65T96.9Very high96.7Very high23 Ų2352.6 Ų52.614%0.14128%0.284CS..PPolyproline II helixtrans-67.2168.4169.2660000111D47 M48 Q59 A60 S67D47-T65 WeakPolarHBondContact O-CG2 3.07Å; M48-T65 WeakPolarHBondContact O-CB 3.45Å; Q59-T65 HydrophobicContact CB-CG2 3.62Å; Q59-T65 HydrophobicContact CG-CG2 3.85Å; A60-T65 HydrophobicContact CB-CG2 4.29Å; T65-S67 PolarHBondContact O-N 3.28Å
66Y98.3Very high96.6Very high8 Ų858.4 Ų58.43%0.03131%0.311CS..PPolyproline II helixtrans-61.8141.2167.3-65.4-76000109.9L16 P20 P21 L26 M48 P50 Q70L16-Y66 HydrophobicContact CB-CE2 4.29Å; L16-Y66 HydrophobicContact CD1-CD2 4.46Å; L16-Y66 HydrophobicContact CD1-CE2 3.72Å; L16-Y66 HydrophobicContact CG-CE2 4.46Å; P20-Y66 HydrophobicContact CB-CE2 3.99Å; P20-Y66 WeakPolarHBondContact CB-OH 3.15Å; P21-Y66 PolarHBondContact O-OH 3.48Å; L26-Y66 HydrophobicContact CD1-CE1 3.76Å; M48-Y66 HydrophobicContact CB-CD2 4.08Å; M48-Y66 HydrophobicContact CB-CE2 4.08Å; M48-Y66 HydrophobicContact CE-CD2 4.31Å; M48-Y66 HydrophobicContact CE-CE2 4.24Å; M48-Y66 WeakPolarHBondContact O-CD2 3.21Å; M48-Y66 PolarHBondContact O-N 3.1Å; M48-Y66 VanDerWaalsContact O-N 3.09Å; P50-Y66 WeakPolarHBondContact CB-O 3.17Å; P50-Y66 WeakPolarHBondContact CD-O 3.11Å; P50-Y66 VanDerWaalsContact CG-O 3.24Å; P50-Y66 WeakPolarHBondContact CG-O 3.4Å; Y66-Q70 HydrophobicContact CD1-CB 4.27Å
67S98Very high96.6Very high42 Ų4253.6 Ų53.629%0.29429%0.291SS..PPolyproline II helixtrans-73.5162.9169.591.90000110.9T65 E69 Q70 V71T65-S67 PolarHBondContact O-N 3.28Å; S67-E69 VanDerWaalsContact CB-OE2 3.31Å; S67-E69 WeakPolarHBondContact CB-OE2 3.45Å; S67-E69 PolarHBondContact O-N 3.46Å; S67-E69 PolarHBondContact OG-N 3.34Å; S67-E69 PolarHBondContact OG-OE2 2.68Å; S67-Q70 WeakPolarHBondContact O-CB 3.47Å; S67-Q70 PolarHBondContact O-N 3.47Å; S67-Q70 VanDerWaalsContact O-N 3.09Å; S67-Q70 PolarHBondContact OG-N 2.87Å; S67-V71 PolarHBondContact O-N 3.46Å
68R98.2Very high96.6Very high92 Ų9250.7 Ų50.735%0.34728%0.276SS..Hα-helixtrans-56.1-41.9174.3-60.5172.968.989.96111.3P50 E52 Q70 V71 L72 L138P50-R68 HydrophobicContact CG-CG 4.35Å; E52-R68 VanDerWaalsContact CD-NH1 3.34Å; E52-R68 WeakPolarHBondContact OE1-CD 3.37Å; E52-R68 IonicContact OE1-CZ 3.33Å; E52-R68 IonicContact OE1-NE 2.91Å; E52-R68 IonicContact OE1-NH1 3.95Å; E52-R68 PolarHBondContact OE1-NH1 3.35Å; E52-R68 IonicContact OE2-NH1 3.49Å; E52-R68 PolarHBondContact OE2-NH1 2.75Å; R68-Q70 VanDerWaalsContact C-N 3.33Å; R68-Q70 PolarHBondContact O-N 2.95Å; R68-V71 PolarHBondContact O-N 3.33Å; R68-L72 WeakPolarHBondContact O-CG 3.32Å; R68-L72 PolarHBondContact O-N 3.36Å; R68-L138 HydrophobicContact CB-CD1 4.39Å; R68-L138 HydrophobicContact CB-CD2 4.23Å; R68-L138 HydrophobicContact CG-CD1 4.17Å; R68-L138 HydrophobicContact CG-CD2 4.32Å
69E98.4Very high96.6Very high128 Ų12856.6 Ų56.660%0.59830%0.301SS*.Hα-helixtrans-64.3-38.1178-57.771.3-153.800111.3S67 L72 S73S67-E69 VanDerWaalsContact CB-OE2 3.31Å; S67-E69 WeakPolarHBondContact CB-OE2 3.45Å; S67-E69 PolarHBondContact O-N 3.46Å; S67-E69 PolarHBondContact OG-N 3.34Å; S67-E69 PolarHBondContact OG-OE2 2.68Å; E69-L72 PolarHBondContact O-N 3.34Å; E69-S73 VanDerWaalsContact O-CB 3.28Å; E69-S73 WeakPolarHBondContact O-CB 3.09Å; E69-S73 PolarHBondContact O-N 3.04Å
70Q98.5Very high96.6Very high62 Ų6258.8 Ų58.829%0.2933%0.327SS..Hα-helixtrans-67-43.3175.5-69.3175.8-39.600111.7I23 Y66 S67 R68 L72 S73 I74I23-Q70 HydrophobicContact CB-CG 4.31Å; I23-Q70 HydrophobicContact CD1-CB 4.12Å; I23-Q70 HydrophobicContact CG1-CB 4.31Å; I23-Q70 HydrophobicContact CG1-CG 4.15Å; Y66-Q70 HydrophobicContact CD1-CB 4.27Å; S67-Q70 WeakPolarHBondContact O-CB 3.47Å; S67-Q70 PolarHBondContact O-N 3.47Å; S67-Q70 VanDerWaalsContact O-N 3.09Å; S67-Q70 PolarHBondContact OG-N 2.87Å; R68-Q70 VanDerWaalsContact C-N 3.33Å; R68-Q70 PolarHBondContact O-N 2.95Å; Q70-L72 VanDerWaalsContact C-N 3.31Å; Q70-L72 PolarHBondContact O-N 3.48Å; Q70-S73 WeakPolarHBondContact O-CB 3.39Å; Q70-S73 PolarHBondContact O-N 3.16Å; Q70-I74 WeakPolarHBondContact O-CG1 3.2Å; Q70-I74 PolarHBondContact O-N 3.43Å
71V98.4Very high96.7Very high0 Ų062.7 Ų62.70%034%0.338CS..Hα-helixtrans-60.9-40.3175.1175.40000111.4Y45 F49 P50 S67 R68 Q75 L138Y45-V71 HydrophobicContact CE1-CG1 4.5Å; Y45-V71 HydrophobicContact CE1-CG2 4.3Å; F49-V71 HydrophobicContact CE2-CG1 4.5Å; P50-V71 HydrophobicContact CG-CG2 4.24Å; S67-V71 PolarHBondContact O-N 3.46Å; R68-V71 PolarHBondContact O-N 3.33Å; V71-Q75 PolarHBondContact O-N 3.08Å; V71-Q75 PolarHBondContact O-NE2 3.33Å; V71-L138 HydrophobicContact CB-CD1 4.42Å; V71-L138 HydrophobicContact CG1-CB 4.13Å; V71-L138 HydrophobicContact CG1-CD1 4.34Å
72L98.1Very high96.9Very high60 Ų6059.8 Ų59.831%0.31433%0.334SS..Hα-helixtrans-66.8-42.7174.2-69.4170.9000111.7R68 E69 Q70 I74 Q75 E76R68-L72 WeakPolarHBondContact O-CG 3.32Å; R68-L72 PolarHBondContact O-N 3.36Å; E69-L72 PolarHBondContact O-N 3.34Å; Q70-L72 VanDerWaalsContact C-N 3.31Å; Q70-L72 PolarHBondContact O-N 3.48Å; L72-I74 VanDerWaalsContact C-N 3.33Å; L72-I74 PolarHBondContact O-N 3.35Å; L72-Q75 WeakPolarHBondContact O-CB 3.33Å; L72-Q75 PolarHBondContact O-N 3.12Å; L72-Q75 VanDerWaalsContact O-N 3.12Å; L72-E76 WeakPolarHBondContact O-CG 3.35Å; L72-E76 PolarHBondContact O-N 3.38Å
73S98.1Very high97.2Very high34 Ų3454.7 Ų54.724%0.23830%0.303CS..Hα-helixtrans-60.3-39.6178-173.70000112.6H27 E69 Q70 Q75 E76 S77H27-S73 PolarHBondContact CE1-OG 2.92Å; H27-S73 PolarHBondContact NE2-OG 3.29Å; E69-S73 VanDerWaalsContact O-CB 3.28Å; E69-S73 WeakPolarHBondContact O-CB 3.09Å; E69-S73 PolarHBondContact O-N 3.04Å; Q70-S73 WeakPolarHBondContact O-CB 3.39Å; Q70-S73 PolarHBondContact O-N 3.16Å; S73-Q75 VanDerWaalsContact C-N 3.31Å; S73-Q75 PolarHBondContact O-N 2.91Å; S73-E76 PolarHBondContact O-N 3.08Å; S73-S77 VanDerWaalsContact O-CB 3.28Å; S73-S77 WeakPolarHBondContact O-CB 3.23Å; S73-S77 PolarHBondContact O-N 3.16Å
74I98Very high97.5Very high3 Ų356.3 Ų56.32%0.01531%0.31CS..Hα-helixtrans-57.1-47.1174.2-69.6164.7000110.3I23 L26 I30 Q70 L72 S77 A78I23-I74 HydrophobicContact CD1-CD1 4.09Å; I23-I74 HydrophobicContact CD1-CG1 3.58Å; L26-I74 HydrophobicContact CD1-CD1 3.64Å; L26-I74 HydrophobicContact CD1-CG1 4.07Å; I30-I74 HydrophobicContact CD1-CG2 4.13Å; Q70-I74 WeakPolarHBondContact O-CG1 3.2Å; Q70-I74 PolarHBondContact O-N 3.43Å; L72-I74 VanDerWaalsContact C-N 3.33Å; L72-I74 PolarHBondContact O-N 3.35Å; I74-S77 PolarHBondContact O-N 2.69Å; I74-A78 WeakPolarHBondContact O-CB 3.47Å; I74-A78 PolarHBondContact O-N 3.41Å
75Q97.6Very high97.8Very high24 Ų2451.7 Ų51.711%0.11228%0.28CS..Hα-helixtrans-68.9-41-179.6-70.117681.500112.9V71 L72 S73 S77 A78 K79 V85 L138 H139V71-Q75 PolarHBondContact O-N 3.08Å; V71-Q75 PolarHBondContact O-NE2 3.33Å; L72-Q75 WeakPolarHBondContact O-CB 3.33Å; L72-Q75 PolarHBondContact O-N 3.12Å; L72-Q75 VanDerWaalsContact O-N 3.12Å; S73-Q75 VanDerWaalsContact C-N 3.31Å; S73-Q75 PolarHBondContact O-N 2.91Å; Q75-S77 VanDerWaalsContact C-N 3.34Å; Q75-A78 PolarHBondContact O-N 3.38Å; Q75-K79 WeakPolarHBondContact O-CB 3.47Å; Q75-K79 PolarHBondContact O-N 3.49Å; Q75-V85 HydrophobicContact CG-CB 4.1Å; Q75-V85 HydrophobicContact CG-CG1 4.32Å; Q75-V85 HydrophobicContact CG-CG2 4.01Å; Q75-L138 PolarHBondContact NE2-O 3.47Å; Q75-H139 VanDerWaalsContact OE1-CA 3.24Å; Q75-H139 PolarHBondContact OE1-CD2 2.96Å; Q75-H139 VanDerWaalsContact OE1-CD2 3.24Å
76E97.5Very high97.9Very high134 Ų13450.7 Ų50.763%0.62627%0.273SS*.Hα-helixtrans-61.8-44.6175.6-72.1178.7170.800111L72 S73 K79 A80L72-E76 WeakPolarHBondContact O-CG 3.35Å; L72-E76 PolarHBondContact O-N 3.38Å; S73-E76 PolarHBondContact O-N 3.08Å; E76-K79 PolarHBondContact O-N 3.02Å; E76-A80 VanDerWaalsContact O-CB 3.31Å; E76-A80 WeakPolarHBondContact O-CB 3.41Å; E76-A80 PolarHBondContact O-N 3.15Å
77S97.9Very high97.9Very high21 Ų2150.3 Ų50.315%0.14727%0.272CS..Hα-helixtrans-62.2-44176.2-175.70000112I30 S73 I74 Q75 R81I30-S77 WeakPolarHBondContact CG2-OG 3.37Å; S73-S77 VanDerWaalsContact O-CB 3.28Å; S73-S77 WeakPolarHBondContact O-CB 3.23Å; S73-S77 PolarHBondContact O-N 3.16Å; I74-S77 PolarHBondContact O-N 2.69Å; Q75-S77 VanDerWaalsContact C-N 3.34Å; S77-R81 WeakPolarHBondContact O-CG 3.24Å
78A97.9Very high97.9Very high0 Ų048.4 Ų48.40%026%0.259CS..Hα-helixtrans-64.2-47.9176.100000111.7L41 I74 Q75 A80 R81 G82 M83 V85L41-A78 HydrophobicContact CD1-CB 4.16Å; I74-A78 WeakPolarHBondContact O-CB 3.47Å; I74-A78 PolarHBondContact O-N 3.41Å; Q75-A78 PolarHBondContact O-N 3.38Å; A78-A80 PolarHBondContact O-N 2.68Å; A78-R81 CarbonylContact O-C 3.45Å; A78-R81 WeakPolarHBondContact O-CA 3.27Å; A78-R81 PolarHBondContact O-N 3.05Å; A78-G82 PolarHBondContact O-N 3.35Å; A78-M83 CarbonylContact C-O 3.56Å; A78-M83 VanDerWaalsContact C-O 3.29Å; A78-M83 HydrophobicContact CB-CB 4.11Å; A78-M83 WeakPolarHBondContact O-CB 3.11Å; A78-M83 PolarHBondContact O-N 2.93Å; A78-V85 HydrophobicContact CB-CG2 3.66Å
79K97.2Very high97.9Very high125 Ų12544.2 Ų44.254%0.54324%0.243SC..Hα-helixtrans-61.8-41.4-179.5-177.7-178179-174.30112.5Q75 E76 R81 G82 M83 H141Q75-K79 WeakPolarHBondContact O-CB 3.47Å; Q75-K79 PolarHBondContact O-N 3.49Å; E76-K79 PolarHBondContact O-N 3.02Å; K79-R81 PolarHBondContact O-N 3.32Å; K79-R81 VanDerWaalsContact O-N 3.08Å; K79-G82 PolarHBondContact O-N 3.34Å; K79-M83 PolarHBondContact N-O 3.1Å; K79-H141 PolarHBondContact NZ-CD2 3.31Å; K79-H141 PolarHBondContact NZ-NE2 3.2Å
80A97.6Very high97.9Very high90 Ų9038.3 Ų38.374%0.74422%0.216SC*.Hα-helixtrans-59.1-20.1175.900000112.8E76 A78E76-A80 VanDerWaalsContact O-CB 3.31Å; E76-A80 WeakPolarHBondContact O-CB 3.41Å; E76-A80 PolarHBondContact O-N 3.15Å; A78-A80 PolarHBondContact O-N 2.68Å
81R97.1Very high97.9Very high97 Ų9735.3 Ų35.337%0.36620%0.202SC..THydrogen-bonded Turntrans-106.511.6178.6-60.9-169.2-171.2-65.99.5113.6E31 S77 A78 K79 M83E31-R81 IonicContact OE2-CZ 2.87Å; E31-R81 IonicContact OE2-NH2 3.94Å; E31-R81 PolarHBondContact OE2-NH2 3.49Å; S77-R81 WeakPolarHBondContact O-CG 3.24Å; A78-R81 CarbonylContact O-C 3.45Å; A78-R81 WeakPolarHBondContact O-CA 3.27Å; A78-R81 PolarHBondContact O-N 3.05Å; K79-R81 PolarHBondContact O-N 3.32Å; K79-R81 VanDerWaalsContact O-N 3.08Å; R81-M83 VanDerWaalsContact C-N 3.26Å; R81-M83 HydrophobicContact CB-CE 4.21Å; R81-M83 PolarHBondContact O-N 2.88Å
82G96.3Very high97.9Very high67 Ų6735.3 Ų35.369%0.69120%0.202SC*.THydrogen-bonded Turntrans75.211.2179.100000114.6A78 K79A78-G82 PolarHBondContact O-N 3.35Å; K79-G82 PolarHBondContact O-N 3.34Å
83M97.6Very high97.9Very high7 Ų732.5 Ų32.53%0.03419%0.187CC..  trans-94.6139.5178.7-65.6-172.2-63.100111.1I30 F33 V38 D39 A78 K79 R81I30-M83 HydrophobicContact CB-CE 4.41Å; I30-M83 HydrophobicContact CG2-CE 3.55Å; I30-M83 WeakPolarHBondContact O-CE 3.38Å; F33-M83 HydrophobicContact CB-CE 4.49Å; F33-M83 HydrophobicContact CB-SD 4.26Å; V38-M83 HydrophobicContact CB-SD 3.91Å; V38-M83 HydrophobicContact CG1-SD 3.8Å; V38-M83 WeakPolarHBondContact O-CG 3.5Å; D39-M83 WeakPolarHBondContact O-CA 3.38Å; A78-M83 CarbonylContact C-O 3.56Å; A78-M83 VanDerWaalsContact C-O 3.29Å; A78-M83 HydrophobicContact CB-CB 4.11Å; A78-M83 WeakPolarHBondContact O-CB 3.11Å; A78-M83 PolarHBondContact O-N 2.93Å; K79-M83 PolarHBondContact N-O 3.1Å; R81-M83 VanDerWaalsContact C-N 3.26Å; R81-M83 HydrophobicContact CB-CE 4.21Å; R81-M83 PolarHBondContact O-N 2.88Å
84E97.3Very high97.9Very high51 Ų5131.7 Ų31.724%0.23818%0.179CC..EExtended strand (participates in β ladder)trans-87.7161.8168.272.9-177.8165.400111.8K9 D39 G40 L41 I86K9-E84 WeakPolarHBondContact CD-OE1 3.47Å; K9-E84 WeakPolarHBondContact CE-OE1 3.02Å; K9-E84 IonicContact NZ-OE1 3.46Å; K9-E84 PolarHBondContact NZ-OE1 3.49Å; K9-E84 IonicContact NZ-OE2 3.28Å; K9-E84 PolarHBondContact NZ-OE2 3.37Å; D39-E84 PolarHBondContact O-N 2.99Å; G40-E84 CarbonylContact C-O 3.58Å; G40-E84 WeakPolarHBondContact CA-O 3.09Å; L41-E84 PolarHBondContact N-O 2.99Å; E84-I86 HydrophobicContact CG-CG1 4.28Å
85V98.5Very high97.9Very high17 Ų1731.5 Ų31.510%0.10318%0.178CC..EExtended strand (participates in β ladder)trans-120.2119.1172.6-178.40000108.3L41 V43 Q75 A78L41-V85 HydrophobicContact CD1-CG2 4.24Å; V43-V85 HydrophobicContact CB-CG1 4.41Å; V43-V85 HydrophobicContact CG2-CG1 3.75Å; Q75-V85 HydrophobicContact CG-CB 4.1Å; Q75-V85 HydrophobicContact CG-CG1 4.32Å; Q75-V85 HydrophobicContact CG-CG2 4.01Å; A78-V85 HydrophobicContact CB-CG2 3.66Å
86I98.8Very high97.9Very high2 Ų231.5 Ų31.51%0.0118%0.178CC..EExtended strand (participates in β ladder)trans-106.9109.4175.3-61.6176.4000106.9L11 L41 L42 V43 E84 T144 H146 I197L11-I86 HydrophobicContact CD1-CD1 3.82Å; L11-I86 HydrophobicContact CD2-CD1 4.41Å; L41-I86 PolarHBondContact O-N 2.82Å; L42-I86 CarbonylContact C-O 2.93Å; L42-I86 WeakPolarHBondContact CA-O 3.45Å; L42-I86 HydrophobicContact CD1-CB 4.22Å; L42-I86 HydrophobicContact CD1-CG2 3.84Å; V43-I86 PolarHBondContact N-O 2.78Å; E84-I86 HydrophobicContact CG-CG1 4.28Å; I86-T144 HydrophobicContact CD1-CG2 4.05Å; I86-T144 HydrophobicContact CG1-CG2 4.46Å; I86-T144 HydrophobicContact CG2-CG2 4.2Å; I86-H146 HydrophobicContact CG2-CB 4.38Å; I86-I197 HydrophobicContact CD1-CD1 4.46Å
87P98.7Very high97.9Very high0 Ų025.2 Ų25.20%015%0.149CC..EExtended strand (participates in β ladder)trans-72.7138.9173.430.4-28.3000110.2V43 Y45 V135 L142 V145 H146V43-P87 CarbonylContact O-C 3.57Å; V43-P87 WeakPolarHBondContact O-CA 3.16Å; Y45-P87 HydrophobicContact CE2-CB 4.16Å; P87-V135 HydrophobicContact CB-CG1 3.51Å; P87-V135 HydrophobicContact CG-CG1 3.74Å; P87-L142 HydrophobicContact CG-CD1 3.88Å; P87-L142 HydrophobicContact CG-CD2 3.9Å; P87-V145 HydrophobicContact CG-CG2 4.39Å; P87-H146 PolarHBondContact O-N 3.07Å
88L98.8Very high97.9Very high3 Ų324.2 Ų24.22%0.01614%0.142CC..EExtended strand (participates in β ladder)trans-104.2122.1168.4-167.5162.9000108.5L42 V43 E44 Q90 H146 W199L42-L88 HydrophobicContact CD1-CB 4.1Å; L42-L88 HydrophobicContact CD1-CD1 4.38Å; L42-L88 HydrophobicContact CD2-CD1 4.23Å; L42-L88 HydrophobicContact CG-CB 4.5Å; L42-L88 HydrophobicContact CG-CD1 4.37Å; V43-L88 PolarHBondContact O-N 2.97Å; E44-L88 HydrophobicContact CB-CB 4.12Å; E44-L88 HydrophobicContact CB-CD2 4.42Å; E44-L88 HydrophobicContact CG-CD2 4.03Å; E44-L88 WeakPolarHBondContact OE1-CD2 3.28Å; L88-Q90 HydrophobicContact CD2-CG 4.29Å; L88-H146 CarbonylContact C-O 3.59Å; L88-H146 VanDerWaalsContact CA-O 3.32Å; L88-H146 WeakPolarHBondContact CA-O 3.41Å; L88-H146 HydrophobicContact CB-CB 4.01Å; L88-H146 HydrophobicContact CD1-CB 4.37Å; L88-H146 HydrophobicContact CG-CB 3.89Å; L88-H146 WeakPolarHBondContact CG-ND1 3.33Å; L88-W199 HydrophobicContact CD1-CZ2 3.69Å
89V98.6Very high97.9Very high4 Ų424.2 Ų24.22%0.02414%0.142CC..  trans-121.8122.8177.2-178.50000107.9T91 M131 L132 V135 H146 I147V89-T91 WeakPolarHBondContact O-CG2 3.44Å; V89-M131 HydrophobicContact CG1-CB 4.28Å; V89-L132 HydrophobicContact CB-CD2 3.86Å; V89-L132 HydrophobicContact CG1-CD2 4.08Å; V89-L132 HydrophobicContact CG1-CG 4.35Å; V89-L132 HydrophobicContact CG2-CD2 4.08Å; V89-V135 HydrophobicContact CG2-CB 4.13Å; V89-V135 HydrophobicContact CG2-CG1 3.94Å; V89-V135 HydrophobicContact CG2-CG2 3.89Å; V89-H146 PolarHBondContact N-O 3.12Å; V89-I147 CarbonylContact O-C 3.59Å; V89-I147 VanDerWaalsContact O-CA 3.26Å; V89-I147 WeakPolarHBondContact O-CA 3.48Å
90Q98.3Very high97.9Very high3 Ų321.5 Ų21.51%0.01413%0.13CC..  trans-69.9131.1174.9-67.4-65.4-0.700110.7E44 L88 G93 H94 M95 F97 D150E44-Q90 PolarHBondContact OE1-NE2 3.47Å; L88-Q90 HydrophobicContact CD2-CG 4.29Å; Q90-G93 PolarHBondContact OE1-O 3.33Å; Q90-H94 HydrophobicContact CB-CB 4.46Å; Q90-H94 HydrophobicContact CG-CB 3.77Å; Q90-M95 HydrophobicContact CB-SD 4.14Å; Q90-M95 VanDerWaalsContact O-SD 3.42Å; Q90-F97 HydrophobicContact CB-CE1 4.28Å; Q90-D150 PolarHBondContact NE2-OD1 3.49Å; Q90-D150 PolarHBondContact OE1-OD1 3.34Å
91T98.6Very high97.9Very high0 Ų019 Ų190%010%0.103CC..SBendtrans-126.91-173.465.60000114.4V89 V128 L132 I147 H179 V183V89-T91 WeakPolarHBondContact O-CG2 3.44Å; T91-V128 HydrophobicContact CG2-CG1 3.59Å; T91-L132 HydrophobicContact CG2-CD1 4.27Å; T91-I147 WeakPolarHBondContact CB-O 3.28Å; T91-I147 HydrophobicContact CG2-CB 3.9Å; T91-I147 HydrophobicContact CG2-CG2 4.44Å; T91-I147 WeakPolarHBondContact CG2-O 3.46Å; T91-I147 PolarHBondContact N-O 3.11Å; T91-I147 PolarHBondContact OG1-O 3.35Å; T91-H179 PolarHBondContact O-NE2 2.9Å; T91-V183 HydrophobicContact CG2-CG1 4.4Å
92F98.4Very high97.8Very high0 Ų024 Ų240%012%0.122CC..SBendtrans-154.7-64.9-178.5-159.7-178.2000114.2M95 T116 L117 P119 A149 V152 L155 F176 H179 V180F92-M95 VanDerWaalsContact O-CG 3.24Å; F92-M95 WeakPolarHBondContact O-CG 3.32Å; F92-T116 HydrophobicContact CE2-CG2 4.4Å; F92-T116 WeakPolarHBondContact O-CA 3.29Å; F92-L117 HydrophobicContact CD2-CB 4.15Å; F92-L117 WeakPolarHBondContact CE2-O 3.06Å; F92-L117 PolarHBondContact O-N 3.41Å; F92-L117 VanDerWaalsContact O-N 3.07Å; F92-P119 HydrophobicContact CE2-CB 4.28Å; F92-P119 HydrophobicContact CZ-CB 4.09Å; F92-A149 HydrophobicContact CB-CB 4.02Å; F92-V152 HydrophobicContact CB-CG2 4.25Å; F92-V152 HydrophobicContact CD1-CG1 4.27Å; F92-V152 HydrophobicContact CD1-CG2 3.89Å; F92-V152 HydrophobicContact CD2-CG1 3.94Å; F92-V152 HydrophobicContact CE1-CG1 4.29Å; F92-V152 HydrophobicContact CE1-CG2 4.47Å; F92-V152 HydrophobicContact CE2-CG1 3.96Å; F92-V152 HydrophobicContact CG-CG1 4.12Å; F92-V152 HydrophobicContact CG-CG2 3.98Å; F92-V152 HydrophobicContact CZ-CG1 4.15Å; F92-L155 HydrophobicContact CE1-CD2 4.23Å; F92-L155 HydrophobicContact CE2-CD1 4Å; F92-L155 HydrophobicContact CZ-CD1 3.59Å; F92-L155 HydrophobicContact CZ-CD2 3.96Å; F92-L155 HydrophobicContact CZ-CG 4.42Å; F92-F176 AromaticContact CD1-CD2 3.83Å; F92-F176 HydrophobicContact CD1-CD2 3.83Å; F92-F176 AromaticContact CD1-CE2 3.87Å; F92-F176 HydrophobicContact CD1-CE2 3.87Å; F92-F176 AromaticContact CE1-CD2 3.57Å; F92-F176 HydrophobicContact CE1-CD2 3.57Å; F92-F176 HydrophobicContact CE1-CE2 4.11Å; F92-F176 HydrophobicContact CE1-CG 4.36Å; F92-H179 HydrophobicContact CD1-CB 4.36Å; F92-H179 AromaticContact CD1-CD2 3.32Å; F92-H179 WeakPolarHBondContact CD1-CD2 3.28Å; F92-H179 AromaticContact CD2-CD2 3.72Å; F92-H179 AromaticContact CD2-NE2 3.79Å; F92-H179 HydrophobicContact CE1-CB 3.75Å; F92-H179 AromaticContact CE1-CD2 3.59Å; F92-H179 AromaticContact CE1-CG 3.87Å; F92-H179 AromaticContact CE2-CD2 3.97Å; F92-H179 AromaticContact CG-CD2 3.36Å; F92-H179 WeakPolarHBondContact CG-CD2 3.34Å; F92-H179 AromaticContact CG-NE2 3.65Å; F92-H179 HydrophobicContact CZ-CB 3.83Å; F92-H179 AromaticContact CZ-CD2 3.91Å; F92-H179 AromaticContact CZ-CG 3.88Å; F92-V180 HydrophobicContact CD1-CG1 4.03Å
93G97.5Very high97.9Very high0 Ų025.4 Ų25.40%012%0.117CC..SBendtrans-89.2176.3166.700000111Q90 M95 G115 D150Q90-G93 PolarHBondContact OE1-O 3.33Å; G93-M95 WeakPolarHBondContact O-CG 3.3Å; G93-M95 PolarHBondContact O-N 2.97Å; G93-M95 VanDerWaalsContact O-N 3.15Å; G93-G115 CarbonylContact C-O 3.58Å; G93-G115 VanDerWaalsContact C-O 3.3Å; G93-G115 VanDerWaalsContact CA-O 3.29Å; G93-G115 WeakPolarHBondContact CA-O 3.37Å; G93-D150 WeakPolarHBondContact CA-O 3.47Å
94H97.5Very high97.9Very high17 Ų1726.2 Ų26.28%0.07912%0.122CC..SBendtrans50.335.3-175.9-63-81.5000114.2Q90 E96 G115 D150 E151Q90-H94 HydrophobicContact CB-CB 4.46Å; Q90-H94 HydrophobicContact CG-CB 3.77Å; H94-E96 VanDerWaalsContact C-N 3.29Å; H94-E96 WeakPolarHBondContact CA-OE2 3.32Å; H94-E96 PolarHBondContact O-N 3.31Å; H94-G115 PolarHBondContact N-O 3.24Å; H94-D150 IonicContact CD2-OD1 3.96Å; H94-D150 PolarHBondContact CD2-OD1 2.99Å; H94-D150 IonicContact CD2-OD2 3.07Å; H94-D150 PolarHBondContact CD2-OD2 2.98Å; H94-D150 IonicContact NE2-OD2 2.76Å; H94-D150 PolarHBondContact NE2-OD2 3.24Å; H94-E151 IonicContact CE1-OE2 3.11Å; H94-E151 PolarHBondContact CE1-OE2 3.09Å; H94-E151 WeakPolarHBondContact NE2-CB 3.38Å; H94-E151 IonicContact NE2-OE2 3.36Å; H94-E151 PolarHBondContact NE2-OE2 2.64Å
95M97.9Very high97.9Very high0 Ų029.2 Ų29.20%013%0.131CC..  trans-90.314-177.5-63.3-69.6-54.700112.7Q90 F92 G93 F97 V98 L99 I114 G115 L117 M127 M131Q90-M95 HydrophobicContact CB-SD 4.14Å; Q90-M95 VanDerWaalsContact O-SD 3.42Å; F92-M95 VanDerWaalsContact O-CG 3.24Å; F92-M95 WeakPolarHBondContact O-CG 3.32Å; G93-M95 WeakPolarHBondContact O-CG 3.3Å; G93-M95 PolarHBondContact O-N 2.97Å; G93-M95 VanDerWaalsContact O-N 3.15Å; M95-F97 VanDerWaalsContact C-N 3.28Å; M95-F97 PolarHBondContact O-N 3.04Å; M95-V98 HydrophobicContact CE-CB 3.8Å; M95-V98 HydrophobicContact CE-CG1 3.96Å; M95-V98 HydrophobicContact CE-CG2 3.65Å; M95-V98 CarbonylContact O-C 3.6Å; M95-V98 WeakPolarHBondContact O-CA 3.21Å; M95-V98 WeakPolarHBondContact O-CB 3.3Å; M95-V98 PolarHBondContact O-N 2.98Å; M95-L99 HydrophobicContact CB-CD1 3.7Å; M95-L99 HydrophobicContact CB-CG 3.98Å; M95-L99 PolarHBondContact O-N 2.95Å; M95-I114 CarbonylContact C-O 3.58Å; M95-G115 WeakPolarHBondContact CB-O 3.26Å; M95-G115 PolarHBondContact N-O 3Å; M95-L117 HydrophobicContact CE-CD1 3.63Å; M95-L117 HydrophobicContact CE-CD2 4.31Å; M95-L117 HydrophobicContact CE-CG 3.95Å; M95-L117 HydrophobicContact CG-CD1 4.14Å; M95-L117 HydrophobicContact CG-CG 3.95Å; M95-L117 HydrophobicContact SD-CD1 4.05Å; M95-L117 HydrophobicContact SD-CG 4.45Å; M95-M127 HydrophobicContact CE-CE 3.79Å; M95-M131 HydrophobicContact CE-CE 3.86Å
96E97.8Very high97.8Very high24 Ų2433.6 Ų33.611%0.11215%0.15CC..Hα-helixtrans-56.7-41.2-176.6-68.981.6-169.100112.4H94 V98 K100 I114 G115 H306H94-E96 VanDerWaalsContact C-N 3.29Å; H94-E96 WeakPolarHBondContact CA-OE2 3.32Å; H94-E96 PolarHBondContact O-N 3.31Å; E96-V98 PolarHBondContact O-N 3.12Å; E96-K100 WeakPolarHBondContact O-CB 3.43Å; E96-K100 WeakPolarHBondContact O-CG 3.32Å; E96-K100 PolarHBondContact O-N 2.92Å; E96-I114 VanDerWaalsContact CA-O 3.3Å; E96-I114 WeakPolarHBondContact CA-O 3.45Å; E96-I114 HydrophobicContact CB-CD1 3.71Å; E96-I114 HydrophobicContact CB-CG1 4.3Å; E96-I114 HydrophobicContact CG-CD1 3.52Å; E96-I114 HydrophobicContact CG-CG1 3.7Å; E96-I114 PolarHBondContact N-O 2.59Å; E96-G115 VanDerWaalsContact CD-CA 3.46Å; E96-G115 WeakPolarHBondContact OE1-CA 3.29Å; E96-H306 HydrophobicContact CB-CB 3.5Å; E96-H306 HydrophobicContact CG-CB 4.33Å
97F97.4Very high97.8Very high2 Ų233.7 Ų33.71%0.00915%0.15CC..Hα-helixtrans-61.5-25.1177.880-85.6000112.5E46 D47 Y51 Q90 M95 K100 H101 M131 H306E46-F97 HydrophobicContact CB-CD1 4.02Å; E46-F97 HydrophobicContact CB-CD2 4.26Å; E46-F97 HydrophobicContact CB-CE1 4.26Å; E46-F97 HydrophobicContact CB-CE2 4.47Å; E46-F97 HydrophobicContact CB-CG 4.03Å; E46-F97 HydrophobicContact CB-CZ 4.48Å; E46-F97 HydrophobicContact CG-CD1 3.89Å; E46-F97 HydrophobicContact CG-CE1 4Å; E46-F97 HydrophobicContact CG-CG 4.39Å; D47-F97 HydrophobicContact CB-CB 4.31Å; D47-F97 HydrophobicContact CB-CD2 4.22Å; Y51-F97 HydrophobicContact CE2-CE2 4.33Å; Q90-F97 HydrophobicContact CB-CE1 4.28Å; M95-F97 VanDerWaalsContact C-N 3.28Å; M95-F97 PolarHBondContact O-N 3.04Å; F97-K100 VanDerWaalsContact O-CE 3.28Å; F97-K100 WeakPolarHBondContact O-CE 3.03Å; F97-H101 PolarHBondContact O-CD2 3.07Å; F97-H101 VanDerWaalsContact O-CD2 3.27Å; F97-H101 PolarHBondContact O-NE2 3.14Å; F97-M131 HydrophobicContact CE2-SD 4.29Å; F97-M131 HydrophobicContact CZ-SD 4.09Å; F97-H306 WeakPolarHBondContact CB-CE1 3.38Å; F97-H306 WeakPolarHBondContact CB-ND1 3.41Å
98V98.2Very high97.8Very high0 Ų035 Ų350%016%0.155CC..Hα-helixtrans-92.9-52.4178-179.40000111.7L58 M95 E96 K100 H101 L104 M127 M131L58-V98 HydrophobicContact CD1-CG2 4.25Å; L58-V98 HydrophobicContact CD2-CB 4.06Å; L58-V98 HydrophobicContact CD2-CG1 3.85Å; L58-V98 HydrophobicContact CD2-CG2 4.04Å; M95-V98 HydrophobicContact CE-CB 3.8Å; M95-V98 HydrophobicContact CE-CG1 3.96Å; M95-V98 HydrophobicContact CE-CG2 3.65Å; M95-V98 CarbonylContact O-C 3.6Å; M95-V98 WeakPolarHBondContact O-CA 3.21Å; M95-V98 WeakPolarHBondContact O-CB 3.3Å; M95-V98 PolarHBondContact O-N 2.98Å; E96-V98 PolarHBondContact O-N 3.12Å; V98-K100 VanDerWaalsContact C-N 3.28Å; V98-K100 PolarHBondContact O-N 3.5Å; V98-H101 PolarHBondContact O-CD2 3.24Å; V98-H101 VanDerWaalsContact O-CD2 3.3Å; V98-H101 PolarHBondContact O-N 3.42Å; V98-L104 HydrophobicContact CG1-CD1 3.66Å; V98-M127 HydrophobicContact CG1-CE 3.48Å; V98-M127 VanDerWaalsContact CG1-CE 3.48Å; V98-M127 HydrophobicContact CG1-SD 3.4Å; V98-M127 WeakPolarHBondContact CG1-SD 3.4Å; V98-M131 HydrophobicContact CG2-CE 4.47Å; V98-M131 HydrophobicContact CG2-SD 3.93Å
99L98.1Very high97.7Very high0 Ų035 Ų350%016%0.155CC..Hα-helixtrans-82.4-5.7-170.1-59.9175.7000112.3M95 H101 L104 L107 R108 I114 T116 L117M95-L99 HydrophobicContact CB-CD1 3.7Å; M95-L99 HydrophobicContact CB-CG 3.98Å; M95-L99 PolarHBondContact O-N 2.95Å; L99-H101 PolarHBondContact O-N 3.22Å; L99-L104 HydrophobicContact CD2-CB 4.47Å; L99-L107 HydrophobicContact CD2-CB 3.86Å; L99-R108 HydrophobicContact CB-CG 3.98Å; L99-R108 HydrophobicContact CD1-CG 4.01Å; L99-R108 HydrophobicContact CD2-CG 4.23Å; L99-R108 HydrophobicContact CG-CG 4.3Å; L99-R108 VanDerWaalsContact O-CZ 3.26Å; L99-R108 PolarHBondContact O-NE 3.41Å; L99-R108 PolarHBondContact O-NH2 2.85Å; L99-I114 VanDerWaalsContact CB-O 3.32Å; L99-I114 WeakPolarHBondContact CB-O 3.24Å; L99-T116 WeakPolarHBondContact CD1-O 3.44Å; L99-L117 HydrophobicContact CD1-CD2 4.19Å; L99-L117 HydrophobicContact CD1-CG 4.39Å; L99-L117 HydrophobicContact CD2-CD2 3.92Å; L99-L117 HydrophobicContact CG-CD2 4.47Å
100K96.8Very high97.7Very high67 Ų6735.4 Ų35.429%0.29116%0.158SC..THydrogen-bonded Turntrans-58.9-30166.467.4-172-179.8-169.40112.1D47 E96 F97 V98 W105 H306D47-K100 IonicContact OD2-NZ 3.77Å; D47-K100 PolarHBondContact OD2-NZ 2.96Å; E96-K100 WeakPolarHBondContact O-CB 3.43Å; E96-K100 WeakPolarHBondContact O-CG 3.32Å; E96-K100 PolarHBondContact O-N 2.92Å; F97-K100 VanDerWaalsContact O-CE 3.28Å; F97-K100 WeakPolarHBondContact O-CE 3.03Å; V98-K100 VanDerWaalsContact C-N 3.28Å; V98-K100 PolarHBondContact O-N 3.5Å; K100-W105 PolarHBondContact O-NE1 3.35Å; K100-W105 VanDerWaalsContact O-NE1 3.1Å; K100-H306 PolarHBondContact NZ-NE2 3.17Å
101H97.5Very high97.6Very high37 Ų3740.1 Ų40.117%0.17119%0.189CC..SBendtrans-77127.7-174.3-63-83.9000113.3L57 F97 V98 L99 T103 L104 W105L57-H101 HydrophobicContact CD1-CB 3.49Å; L57-H101 VanDerWaalsContact CD1-CB 3.49Å; L57-H101 PolarHBondContact O-CE1 3.24Å; L57-H101 PolarHBondContact O-NE2 3.4Å; F97-H101 PolarHBondContact O-CD2 3.07Å; F97-H101 VanDerWaalsContact O-CD2 3.27Å; F97-H101 PolarHBondContact O-NE2 3.14Å; V98-H101 PolarHBondContact O-CD2 3.24Å; V98-H101 VanDerWaalsContact O-CD2 3.3Å; V98-H101 PolarHBondContact O-N 3.42Å; L99-H101 PolarHBondContact O-N 3.22Å; H101-T103 VanDerWaalsContact C-N 3.25Å; H101-T103 PolarHBondContact O-N 3.44Å; H101-T103 VanDerWaalsContact O-N 3.15Å; H101-L104 HydrophobicContact CB-CD1 4.48Å; H101-L104 PolarHBondContact O-N 2.94Å; H101-W105 VanDerWaalsContact C-CD1 3.48Å; H101-W105 PolarHBondContact O-N 3.24Å; H101-W105 PolarHBondContact O-NE1 3.36Å
102R96.5Very high97.4Very high203 Ų20347.5 Ų47.577%0.76622%0.223SC*.G310 helixtrans-53.2-38-175.1-72.9-174.8177.8-162.70.8114.4L104 W105R102-L104 PolarHBondContact O-N 2.89Å; R102-W105 HydrophobicContact CG-CD2 4.34Å; R102-W105 HydrophobicContact CG-CH2 3.99Å; R102-W105 HydrophobicContact CG-CZ2 3.56Å; R102-W105 PolarHBondContact O-N 3.42Å
103T96.7Very high97.2Very high97 Ų9748.9 Ų48.960%0.59523%0.232SC*.G310 helixtrans-63.8-25.1178.9480000112.6H101 H106H101-T103 VanDerWaalsContact C-N 3.25Å; H101-T103 PolarHBondContact O-N 3.44Å; H101-T103 VanDerWaalsContact O-N 3.15Å; T103-H106 PolarHBondContact O-CE1 3.39Å; T103-H106 PolarHBondContact O-ND1 3.41Å
104L97.9Very high97.1Very high24 Ų2450.7 Ų50.713%0.12624%0.241CC..G310 helixtrans-104.81.8-175.5-58.1178.6000113.5L57 L58 V98 L99 H101 R102 H106 L107 M127L57-L104 HydrophobicContact CD1-CD1 3.96Å; L58-L104 HydrophobicContact CD2-CD1 3.92Å; V98-L104 HydrophobicContact CG1-CD1 3.66Å; L99-L104 HydrophobicContact CD2-CB 4.47Å; H101-L104 HydrophobicContact CB-CD1 4.48Å; H101-L104 PolarHBondContact O-N 2.94Å; R102-L104 PolarHBondContact O-N 2.89Å; L104-H106 PolarHBondContact O-N 3.35Å; L104-H106 VanDerWaalsContact O-N 3.13Å; L104-L107 HydrophobicContact CB-CD1 4.4Å; L104-L107 HydrophobicContact CD2-CD1 4Å; L104-L107 WeakPolarHBondContact O-CB 3.46Å; L104-L107 PolarHBondContact O-N 2.8Å; L104-M127 HydrophobicContact CD1-SD 3.89Å; L104-M127 HydrophobicContact CD2-SD 4.13Å
105W97.6Very high97.1Very high114 Ų11450.3 Ų50.343%0.43224%0.243SC..G310 helixtrans-58.2-30.3-179.1-72.94.3000114K100 H101 R102 L107 R108K100-W105 PolarHBondContact O-NE1 3.35Å; K100-W105 VanDerWaalsContact O-NE1 3.1Å; H101-W105 VanDerWaalsContact C-CD1 3.48Å; H101-W105 PolarHBondContact O-N 3.24Å; H101-W105 PolarHBondContact O-NE1 3.36Å; R102-W105 HydrophobicContact CG-CD2 4.34Å; R102-W105 HydrophobicContact CG-CH2 3.99Å; R102-W105 HydrophobicContact CG-CZ2 3.56Å; R102-W105 PolarHBondContact O-N 3.42Å; W105-L107 PolarHBondContact O-N 3.37Å; W105-R108 WeakPolarHBondContact O-CB 3.49Å; W105-R108 WeakPolarHBondContact O-CG 3.29Å; W105-R108 PolarHBondContact O-N 3.09Å
106H97.4Very high97Very high108 Ų10850.6 Ų50.650%0.524%0.244SC..G310 helixtrans-66.9-11.2178.469.7-82.8000113.6T103 L104T103-H106 PolarHBondContact O-CE1 3.39Å; T103-H106 PolarHBondContact O-ND1 3.41Å; L104-H106 PolarHBondContact O-N 3.35Å; L104-H106 VanDerWaalsContact O-N 3.13Å
107L98Very high97Very high4 Ų449.5 Ų49.52%0.02124%0.239CC..G310 helixtrans-91.6-3.6176.5-57.8179.5000113.4L99 L104 W105 L117 N118 K121 D123 M127L99-L107 HydrophobicContact CD2-CB 3.86Å; L104-L107 HydrophobicContact CB-CD1 4.4Å; L104-L107 HydrophobicContact CD2-CD1 4Å; L104-L107 WeakPolarHBondContact O-CB 3.46Å; L104-L107 PolarHBondContact O-N 2.8Å; W105-L107 PolarHBondContact O-N 3.37Å; L107-L117 HydrophobicContact CB-CD2 3.96Å; L107-L117 CarbonylContact O-C 3.53Å; L107-N118 WeakPolarHBondContact O-CB 3.48Å; L107-N118 PolarHBondContact O-N 3.01Å; L107-K121 HydrophobicContact CD2-CB 4.05Å; L107-D123 HydrophobicContact CD2-CB 3.97Å; L107-M127 HydrophobicContact CD1-CE 4Å; L107-M127 HydrophobicContact CD1-SD 3.7Å
108R98.1Very high97.1Very high27 Ų2749.8 Ų49.810%0.10224%0.241CC..BIsolated β-bridgetrans-73.9140.4179.9-65.5169.1-179.5-175.2-5.7111.4L99 W105 P111 C113 I114L99-R108 HydrophobicContact CB-CG 3.98Å; L99-R108 HydrophobicContact CD1-CG 4.01Å; L99-R108 HydrophobicContact CD2-CG 4.23Å; L99-R108 HydrophobicContact CG-CG 4.3Å; L99-R108 VanDerWaalsContact O-CZ 3.26Å; L99-R108 PolarHBondContact O-NE 3.41Å; L99-R108 PolarHBondContact O-NH2 2.85Å; W105-R108 WeakPolarHBondContact O-CB 3.49Å; W105-R108 WeakPolarHBondContact O-CG 3.29Å; W105-R108 PolarHBondContact O-N 3.09Å; R108-P111 WeakPolarHBondContact CD-O 3.41Å; R108-P111 PolarHBondContact NH1-O 3.45Å; R108-C113 WeakPolarHBondContact CD-O 3.38Å; R108-I114 VanDerWaalsContact CZ-CG2 3.44Å
109E97.9Very high97Very high4 Ų450.6 Ų50.62%0.01925%0.246CC..SBendtrans-61.8-54172171.460.6-177.300111.1T116 P119 G156 E157 G158 S161E109-T116 HydrophobicContact CB-CG2 3.62Å; E109-T116 HydrophobicContact CG-CG2 4.07Å; E109-T116 PolarHBondContact N-O 3.2Å; E109-P119 WeakPolarHBondContact OE2-CD 3.35Å; E109-G156 PolarHBondContact OE1-N 2.61Å; E109-E157 PolarHBondContact OE1-N 3.06Å; E109-G158 WeakPolarHBondContact O-CA 3.32Å; E109-G158 PolarHBondContact OE1-N 3.29Å; E109-G158 VanDerWaalsContact OE1-N 3.12Å; E109-S161 WeakPolarHBondContact OE1-CB 3.42Å; E109-S161 PolarHBondContact OE1-OG 3.19Å; E109-S161 PolarHBondContact OE2-OG 2.78Å
110V97.8Very high97Very high12 Ų1253.7 Ų53.77%0.07326%0.26CS..SBendtrans-113129.2174.3-178.70000108.5H112 C113 E157V110-H112 WeakPolarHBondContact CG1-CE1 3.48Å; V110-H112 WeakPolarHBondContact CG1-ND1 3.41Å; V110-H112 PolarHBondContact O-N 2.69Å; V110-C113 HydrophobicContact CB-CB 3.95Å; V110-C113 PolarHBondContact O-N 2.81Å; V110-E157 HydrophobicContact CG2-CB 3.61Å
111P96.3Very high96.9Very high103 Ų10353.9 Ų53.967%0.66926%0.261SS*.THydrogen-bonded Turntrans-54.3-33.6-171.8-30.735.5000116R108R108-P111 WeakPolarHBondContact CD-O 3.41Å; R108-P111 PolarHBondContact NH1-O 3.45Å
112H94Very high96.9Very high154 Ų15457.2 Ų57.271%0.71328%0.277SS*.THydrogen-bonded Turntrans-94.7-10.8-179.462.8-92.4000113.9V110V110-H112 WeakPolarHBondContact CG1-CE1 3.48Å; V110-H112 WeakPolarHBondContact CG1-ND1 3.41Å; V110-H112 PolarHBondContact O-N 2.69Å
113C94.5Very high96.9Very high30 Ų3051.5 Ų51.520%0.20326%0.261CS..  trans-92.5134.4173.5-59.10000109.1R108 V110R108-C113 WeakPolarHBondContact CD-O 3.38Å; V110-C113 HydrophobicContact CB-CB 3.95Å; V110-C113 PolarHBondContact O-N 2.81Å
114I95.8Very high96.9Very high37 Ų3746.9 Ų46.919%0.1923%0.234CC..  trans-109.1-5.5-174.360.3150.7000113.6M95 E96 L99 R108 L307M95-I114 CarbonylContact C-O 3.58Å; E96-I114 VanDerWaalsContact CA-O 3.3Å; E96-I114 WeakPolarHBondContact CA-O 3.45Å; E96-I114 HydrophobicContact CB-CD1 3.71Å; E96-I114 HydrophobicContact CB-CG1 4.3Å; E96-I114 HydrophobicContact CG-CD1 3.52Å; E96-I114 HydrophobicContact CG-CG1 3.7Å; E96-I114 PolarHBondContact N-O 2.59Å; L99-I114 VanDerWaalsContact CB-O 3.32Å; L99-I114 WeakPolarHBondContact CB-O 3.24Å; R108-I114 VanDerWaalsContact CZ-CG2 3.44Å; I114-L307 HydrophobicContact CD1-CD1 3.46Å; I114-L307 VanDerWaalsContact CD1-CD1 3.46Å; I114-L307 HydrophobicContact CD1-CG 4.09Å
115G96.3Very high96.9Very high10 Ų1046.3 Ų46.310%0.10323%0.231CC..SBendtrans-89.1-16.2-177.800000115.7G93 H94 M95 E96G93-G115 CarbonylContact C-O 3.58Å; G93-G115 VanDerWaalsContact C-O 3.3Å; G93-G115 VanDerWaalsContact CA-O 3.29Å; G93-G115 WeakPolarHBondContact CA-O 3.37Å; H94-G115 PolarHBondContact N-O 3.24Å; M95-G115 WeakPolarHBondContact CB-O 3.26Å; M95-G115 PolarHBondContact N-O 3Å; E96-G115 VanDerWaalsContact CD-CA 3.46Å; E96-G115 WeakPolarHBondContact OE1-CA 3.29Å
116T97.6Very high96.9Very high6 Ų647 Ų474%0.03724%0.237CC..  trans-121.1124.5-168.8-56.20000112.8F92 L99 E109 V152F92-T116 HydrophobicContact CE2-CG2 4.4Å; F92-T116 WeakPolarHBondContact O-CA 3.29Å; L99-T116 WeakPolarHBondContact CD1-O 3.44Å; E109-T116 HydrophobicContact CB-CG2 3.62Å; E109-T116 HydrophobicContact CG-CG2 4.07Å; E109-T116 PolarHBondContact N-O 3.2Å; T116-V152 HydrophobicContact CG2-CG1 3.33Å
117L97.8Very high97Very high0 Ų042.7 Ų42.70%022%0.217CC..BIsolated β-bridgetrans-68.7143.3168.6-78.9170.1000111.9F92 M95 L99 L107 P119 M127 V128F92-L117 HydrophobicContact CD2-CB 4.15Å; F92-L117 WeakPolarHBondContact CE2-O 3.06Å; F92-L117 PolarHBondContact O-N 3.41Å; F92-L117 VanDerWaalsContact O-N 3.07Å; M95-L117 HydrophobicContact CE-CD1 3.63Å; M95-L117 HydrophobicContact CE-CD2 4.31Å; M95-L117 HydrophobicContact CE-CG 3.95Å; M95-L117 HydrophobicContact CG-CD1 4.14Å; M95-L117 HydrophobicContact CG-CG 3.95Å; M95-L117 HydrophobicContact SD-CD1 4.05Å; M95-L117 HydrophobicContact SD-CG 4.45Å; L99-L117 HydrophobicContact CD1-CD2 4.19Å; L99-L117 HydrophobicContact CD1-CG 4.39Å; L99-L117 HydrophobicContact CD2-CD2 3.92Å; L99-L117 HydrophobicContact CG-CD2 4.47Å; L107-L117 HydrophobicContact CB-CD2 3.96Å; L107-L117 CarbonylContact O-C 3.53Å; L117-P119 WeakPolarHBondContact O-CD 3.41Å; L117-M127 HydrophobicContact CD1-CE 4.37Å; L117-M127 HydrophobicContact CD2-CE 3.81Å; L117-V128 HydrophobicContact CD1-CG2 3.62Å
118N98Very high97Very high8 Ų842.5 Ų42.54%0.04322%0.216CC..  trans-74.1116.5169.5-176-40.6000109.4L107 H120 K121 D160L107-N118 WeakPolarHBondContact O-CB 3.48Å; L107-N118 PolarHBondContact O-N 3.01Å; N118-H120 PolarHBondContact O-N 2.97Å; N118-H120 VanDerWaalsContact O-N 3.16Å; N118-H120 WeakPolarHBondContact OD1-CA 2.91Å; N118-H120 VanDerWaalsContact OD1-CB 3.24Å; N118-H120 WeakPolarHBondContact OD1-CB 3.09Å; N118-H120 PolarHBondContact OD1-N 2.97Å; N118-K121 HydrophobicContact CB-CG 3.8Å; N118-K121 PolarHBondContact O-N 3.22Å; N118-D160 PolarHBondContact ND2-OD2 2.79Å
119P97.3Very high97Very high18 Ų1842.9 Ų42.912%0.11722%0.219CC..THydrogen-bonded Turntrans-69.8-12.7-175.632.7-38000113F92 E109 L117 L155 L175 H179F92-P119 HydrophobicContact CE2-CB 4.28Å; F92-P119 HydrophobicContact CZ-CB 4.09Å; E109-P119 WeakPolarHBondContact OE2-CD 3.35Å; L117-P119 WeakPolarHBondContact O-CD 3.41Å; P119-L155 HydrophobicContact CG-CD1 3.88Å; P119-L175 HydrophobicContact CG-CD2 4.25Å; P119-H179 HydrophobicContact CB-CB 4.07Å
120H96.7Very high97.1Very high64 Ų6445.6 Ų45.630%0.29623%0.232SC..THydrogen-bonded Turntrans-87.7-8.3178.6-58.4-72.6000113.6N118 D160 S161 W164N118-H120 PolarHBondContact O-N 2.97Å; N118-H120 VanDerWaalsContact O-N 3.16Å; N118-H120 WeakPolarHBondContact OD1-CA 2.91Å; N118-H120 VanDerWaalsContact OD1-CB 3.24Å; N118-H120 WeakPolarHBondContact OD1-CB 3.09Å; N118-H120 PolarHBondContact OD1-N 2.97Å; H120-D160 HydrophobicContact CB-CB 4.21Å; H120-S161 PolarHBondContact CD2-OG 3Å; H120-S161 WeakPolarHBondContact NE2-CA 3.48Å; H120-S161 PolarHBondContact NE2-OG 3.04Å; H120-W164 AromaticContact CE1-CD1 3.83Å; H120-W164 AromaticContact CE1-CG 3.58Å
121K96.1Very high97.1Very high71 Ų7145 Ų4531%0.30923%0.229SC..  trans-93.6110-179.2-57.3-59.4179.1-157.10110.9L107 N118 D123 G124 D160L107-K121 HydrophobicContact CD2-CB 4.05Å; N118-K121 HydrophobicContact CB-CG 3.8Å; N118-K121 PolarHBondContact O-N 3.22Å; K121-D123 PolarHBondContact O-N 2.85Å; K121-G124 PolarHBondContact O-N 3.42Å; K121-D160 VanDerWaalsContact CE-OD2 3.28Å; K121-D160 WeakPolarHBondContact CE-OD2 3.47Å; K121-D160 IonicContact NZ-OD2 2.7Å; K121-D160 PolarHBondContact NZ-OD2 3.47Å
122E96.1Very high97.2Very high108 Ų10840.1 Ų40.151%0.50520%0.197SC..Hα-helixtrans-56-36.3173.6-69.2-58.8141.400112.9G124 V125 K126 K182E122-G124 PolarHBondContact O-N 2.83Å; E122-V125 PolarHBondContact O-N 2.78Å; E122-V125 VanDerWaalsContact O-N 3.13Å; E122-K126 WeakPolarHBondContact O-CG 3.32Å; E122-K126 PolarHBondContact O-N 3.44Å; E122-K182 IonicContact OE1-NZ 2.63Å; E122-K182 PolarHBondContact OE1-NZ 3.38Å; E122-K182 WeakPolarHBondContact OE2-CE 3.31Å; E122-K182 IonicContact OE2-NZ 2.65Å; E122-K182 PolarHBondContact OE2-NZ 3.47Å
123D97.2Very high97.5Very high82 Ų8236.9 Ų36.944%0.43918%0.178SC..Hα-helixtrans-65.7-26.5178.5-63.9-25000112.3L107 K121 K126 M127L107-D123 HydrophobicContact CD2-CB 3.97Å; K121-D123 PolarHBondContact O-N 2.85Å; D123-K126 PolarHBondContact O-N 3.24Å; D123-K126 IonicContact OD1-NZ 2.77Å; D123-K126 PolarHBondContact OD1-NZ 2.84Å; D123-M127 WeakPolarHBondContact O-CB 3.48Å; D123-M127 PolarHBondContact O-N 2.93Å
124G97.1Very high97.7Very high1 Ų136.1 Ų36.11%0.0117%0.172CC..Hα-helixtrans-64.6-44.2171.300000111.9K121 E122 M127 V128K121-G124 PolarHBondContact O-N 3.42Å; E122-G124 PolarHBondContact O-N 2.83Å; G124-M127 PolarHBondContact O-N 3.44Å; G124-V128 WeakPolarHBondContact O-CG2 3.28Å; G124-V128 PolarHBondContact O-N 2.97Å
125V97.6Very high97.8Very high11 Ų1134.4 Ų34.47%0.06716%0.163CC..Hα-helixtrans-67.1-39.3176.11800000111.4E122 V128 M129 K182E122-V125 PolarHBondContact O-N 2.78Å; E122-V125 VanDerWaalsContact O-N 3.13Å; V125-V128 PolarHBondContact O-N 3.41Å; V125-M129 HydrophobicContact CG1-CG 4.36Å; V125-M129 WeakPolarHBondContact O-CB 3.42Å; V125-M129 WeakPolarHBondContact O-CG 3.16Å; V125-M129 PolarHBondContact O-N 2.85Å; V125-K182 HydrophobicContact CG2-CD 4.15Å
126K98.3Very high97.9Very high130 Ų13034.7 Ų34.757%0.56516%0.163SC*.Hα-helixtrans-60.7-45.6175.3-67.6175.9-164.4156.90111.8E122 D123 M129 E130E122-K126 WeakPolarHBondContact O-CG 3.32Å; E122-K126 PolarHBondContact O-N 3.44Å; D123-K126 PolarHBondContact O-N 3.24Å; D123-K126 IonicContact OD1-NZ 2.77Å; D123-K126 PolarHBondContact OD1-NZ 2.84Å; K126-M129 PolarHBondContact O-N 3.25Å; K126-E130 WeakPolarHBondContact O-CB 3.35Å; K126-E130 PolarHBondContact O-N 3.18Å
127M98.4Very high97.9Very high16 Ų1639.6 Ų39.68%0.07919%0.185CC..Hα-helixtrans-61.5-44.6176.5179.8-167.369.900111.5L55 M95 V98 L104 L107 L117 D123 G124 M129 E130 M131L55-M127 HydrophobicContact CD2-CG 4.06Å; M95-M127 HydrophobicContact CE-CE 3.79Å; V98-M127 HydrophobicContact CG1-CE 3.48Å; V98-M127 VanDerWaalsContact CG1-CE 3.48Å; V98-M127 HydrophobicContact CG1-SD 3.4Å; V98-M127 WeakPolarHBondContact CG1-SD 3.4Å; L104-M127 HydrophobicContact CD1-SD 3.89Å; L104-M127 HydrophobicContact CD2-SD 4.13Å; L107-M127 HydrophobicContact CD1-CE 4Å; L107-M127 HydrophobicContact CD1-SD 3.7Å; L117-M127 HydrophobicContact CD1-CE 4.37Å; L117-M127 HydrophobicContact CD2-CE 3.81Å; D123-M127 WeakPolarHBondContact O-CB 3.48Å; D123-M127 PolarHBondContact O-N 2.93Å; G124-M127 PolarHBondContact O-N 3.44Å; M127-M129 PolarHBondContact O-N 3.3Å; M127-E130 PolarHBondContact O-N 2.95Å; M127-M131 PolarHBondContact O-N 2.74Å
128V98.6Very high97.9Very high0 Ų039.9 Ų39.90%019%0.187CC..Hα-helixtrans-58.7-46.6174.6162.90000111.7T91 L117 G124 V125 E130 M131 L132 V183T91-V128 HydrophobicContact CG2-CG1 3.59Å; L117-V128 HydrophobicContact CD1-CG2 3.62Å; G124-V128 WeakPolarHBondContact O-CG2 3.28Å; G124-V128 PolarHBondContact O-N 2.97Å; V125-V128 PolarHBondContact O-N 3.41Å; V128-E130 VanDerWaalsContact C-N 3.29Å; V128-E130 PolarHBondContact O-N 2.87Å; V128-M131 HydrophobicContact CG2-CE 4.05Å; V128-M131 PolarHBondContact O-N 2.96Å; V128-L132 HydrophobicContact CG1-CD1 3.88Å; V128-L132 WeakPolarHBondContact O-CG 3.34Å; V128-L132 PolarHBondContact O-N 2.79Å; V128-V183 HydrophobicContact CG1-CG1 4.08Å; V128-V183 HydrophobicContact CG1-CG2 4.29Å
129M98.8Very high97.9Very high35 Ų3539.6 Ų39.617%0.17219%0.185CC..Hα-helixtrans-65.9-32.4178.2-71.7-54.7-5800112.5V125 K126 M127 L132 R133 A186 I187 W191V125-M129 HydrophobicContact CG1-CG 4.36Å; V125-M129 WeakPolarHBondContact O-CB 3.42Å; V125-M129 WeakPolarHBondContact O-CG 3.16Å; V125-M129 PolarHBondContact O-N 2.85Å; K126-M129 PolarHBondContact O-N 3.25Å; M127-M129 PolarHBondContact O-N 3.3Å; M129-L132 HydrophobicContact SD-CD1 3.91Å; M129-R133 WeakPolarHBondContact O-CB 3.14Å; M129-R133 PolarHBondContact O-N 3.27Å; M129-A186 HydrophobicContact CE-CB 3.92Å; M129-A186 HydrophobicContact CG-CB 4.11Å; M129-A186 HydrophobicContact SD-CB 3.61Å; M129-I187 HydrophobicContact CE-CG1 4.19Å; M129-I187 HydrophobicContact SD-CG1 4.08Å; M129-W191 HydrophobicContact CE-CZ3 4.08Å
130E98.8Very high97.6Very high61 Ų6142.9 Ų42.929%0.28521%0.207SC..Hα-helixtrans-70.2-40.6174.2-179.653.3-156.100112L55 K126 M127 V128 R133 Q134L55-E130 HydrophobicContact CD1-CB 4.1Å; L55-E130 HydrophobicContact CD1-CG 3.61Å; L55-E130 HydrophobicContact CG-CG 3.95Å; K126-E130 WeakPolarHBondContact O-CB 3.35Å; K126-E130 PolarHBondContact O-N 3.18Å; M127-E130 PolarHBondContact O-N 2.95Å; V128-E130 VanDerWaalsContact C-N 3.29Å; V128-E130 PolarHBondContact O-N 2.87Å; E130-R133 PolarHBondContact O-N 3.29Å; E130-R133 IonicContact OE1-CZ 2.59Å; E130-R133 IonicContact OE1-NE 3.86Å; E130-R133 PolarHBondContact OE1-NE 2.87Å; E130-R133 IonicContact OE1-NH2 3.75Å; E130-R133 PolarHBondContact OE1-NH2 3Å; E130-R133 IonicContact OE2-CZ 2.68Å; E130-R133 IonicContact OE2-NE 3.55Å; E130-R133 PolarHBondContact OE2-NE 3.15Å; E130-R133 IonicContact OE2-NH2 2.63Å; E130-Q134 WeakPolarHBondContact O-CG 3.4Å; E130-Q134 PolarHBondContact O-N 3.45Å; E130-Q134 VanDerWaalsContact O-N 3.12Å; E130-Q134 PolarHBondContact OE1-NE2 2.83Å
131M98.8Very high97.2Very high0 Ų045.9 Ų45.90%022%0.22CC..Hα-helixtrans-58.1-50.1171-72.5-169.9-57.900110.8Y51 L55 L58 V89 M95 F97 V98 M127 V128 R133 Q134 V135Y51-M131 HydrophobicContact CE1-CB 3.98Å; Y51-M131 HydrophobicContact CE1-CG 3.92Å; L55-M131 HydrophobicContact CD1-CB 4.26Å; L55-M131 HydrophobicContact CD1-CG 3.55Å; L58-M131 HydrophobicContact CD1-CG 4.09Å; L58-M131 HydrophobicContact CD1-SD 3.84Å; V89-M131 HydrophobicContact CG1-CB 4.28Å; M95-M131 HydrophobicContact CE-CE 3.86Å; F97-M131 HydrophobicContact CE2-SD 4.29Å; F97-M131 HydrophobicContact CZ-SD 4.09Å; V98-M131 HydrophobicContact CG2-CE 4.47Å; V98-M131 HydrophobicContact CG2-SD 3.93Å; M127-M131 PolarHBondContact O-N 2.74Å; V128-M131 HydrophobicContact CG2-CE 4.05Å; V128-M131 PolarHBondContact O-N 2.96Å; M131-R133 VanDerWaalsContact C-N 3.34Å; M131-R133 PolarHBondContact O-N 3.32Å; M131-Q134 PolarHBondContact O-N 3.15Å; M131-V135 WeakPolarHBondContact O-CG2 3.48Å; M131-V135 PolarHBondContact O-N 3.34Å; M131-V135 VanDerWaalsContact O-N 3.08Å
132L98.8Very high97.2Very high1 Ų143.8 Ų43.81%0.00521%0.213CC..Hα-helixtrans-59.6-42.8178.1-73.5164.2000111.8V89 T91 V128 M129 Q134 V135 V136 V145 V183 I187 W191V89-L132 HydrophobicContact CB-CD2 3.86Å; V89-L132 HydrophobicContact CG1-CD2 4.08Å; V89-L132 HydrophobicContact CG1-CG 4.35Å; V89-L132 HydrophobicContact CG2-CD2 4.08Å; T91-L132 HydrophobicContact CG2-CD1 4.27Å; V128-L132 HydrophobicContact CG1-CD1 3.88Å; V128-L132 WeakPolarHBondContact O-CG 3.34Å; V128-L132 PolarHBondContact O-N 2.79Å; M129-L132 HydrophobicContact SD-CD1 3.91Å; L132-Q134 PolarHBondContact O-N 2.66Å; L132-V135 PolarHBondContact O-N 3.33Å; L132-V136 WeakPolarHBondContact O-CB 3.42Å; L132-V136 WeakPolarHBondContact O-CG2 3.3Å; L132-V136 PolarHBondContact O-N 3.03Å; L132-V145 HydrophobicContact CD2-CG2 3.99Å; L132-V183 HydrophobicContact CD1-CG1 4.3Å; L132-I187 HydrophobicContact CD1-CD1 3.73Å; L132-I187 HydrophobicContact CD1-CG1 3.89Å; L132-W191 HydrophobicContact CB-CH2 4.25Å; L132-W191 HydrophobicContact CB-CZ3 4.32Å
133R98.6Very high97.2Very high86 Ų8647.9 Ų47.933%0.32522%0.223SC..Hα-helixtrans-58.2-50178.6-173.4-166.267.375.57111.4M129 E130 M131 V135 V136 E137 W191M129-R133 WeakPolarHBondContact O-CB 3.14Å; M129-R133 PolarHBondContact O-N 3.27Å; E130-R133 PolarHBondContact O-N 3.29Å; E130-R133 IonicContact OE1-CZ 2.59Å; E130-R133 IonicContact OE1-NE 3.86Å; E130-R133 PolarHBondContact OE1-NE 2.87Å; E130-R133 IonicContact OE1-NH2 3.75Å; E130-R133 PolarHBondContact OE1-NH2 3Å; E130-R133 IonicContact OE2-CZ 2.68Å; E130-R133 IonicContact OE2-NE 3.55Å; E130-R133 PolarHBondContact OE2-NE 3.15Å; E130-R133 IonicContact OE2-NH2 2.63Å; M131-R133 VanDerWaalsContact C-N 3.34Å; M131-R133 PolarHBondContact O-N 3.32Å; R133-V135 VanDerWaalsContact C-N 3.34Å; R133-V135 PolarHBondContact O-N 3.19Å; R133-V136 PolarHBondContact O-N 3.47Å; R133-E137 IonicContact CZ-OE1 3.38Å; R133-E137 IonicContact CZ-OE2 2.9Å; R133-E137 IonicContact NH1-OE1 2.77Å; R133-E137 PolarHBondContact NH1-OE1 3.07Å; R133-E137 IonicContact NH1-OE2 3.92Å; R133-E137 PolarHBondContact NH1-OE2 3.48Å; R133-E137 WeakPolarHBondContact O-CB 3.37Å; R133-E137 WeakPolarHBondContact O-CG 3.34Å; R133-E137 PolarHBondContact O-N 3.31Å; R133-W191 HydrophobicContact CB-CH2 4.32Å; R133-W191 HydrophobicContact CB-CZ2 4.39Å; R133-W191 HydrophobicContact CG-CZ2 4.49Å
134Q98.8Very high97.3Very high13 Ų1344.6 Ų44.66%0.06121%0.206CC..Hα-helixtrans-63.6-40.5-179.7-65.3-170.623.900111.9F49 Y51 E52 E130 M131 L132 E137 L138F49-Q134 HydrophobicContact CE1-CB 4Å; Y51-Q134 VanDerWaalsContact CA-OE1 3.27Å; Y51-Q134 HydrophobicContact CD1-CB 4.47Å; E52-Q134 PolarHBondContact O-NE2 2.64Å; E130-Q134 WeakPolarHBondContact O-CG 3.4Å; E130-Q134 PolarHBondContact O-N 3.45Å; E130-Q134 VanDerWaalsContact O-N 3.12Å; E130-Q134 PolarHBondContact OE1-NE2 2.83Å; M131-Q134 PolarHBondContact O-N 3.15Å; L132-Q134 PolarHBondContact O-N 2.66Å; Q134-E137 PolarHBondContact O-N 2.88Å; Q134-L138 PolarHBondContact O-N 3.31Å
135V98.6Very high97.4Very high1 Ų144.7 Ų44.71%0.00621%0.207CC..Hα-helixtrans-64.4-47.4176.3173.30000111.5F49 Y51 P87 V89 M131 L132 R133 E137 L138 H139F49-V135 HydrophobicContact CD1-CG2 4.2Å; F49-V135 HydrophobicContact CD2-CG2 4.05Å; F49-V135 HydrophobicContact CE1-CG2 3.98Å; F49-V135 HydrophobicContact CE2-CB 4.33Å; F49-V135 HydrophobicContact CE2-CG2 3.82Å; F49-V135 HydrophobicContact CG-CG2 4.24Å; F49-V135 HydrophobicContact CZ-CB 4.23Å; F49-V135 HydrophobicContact CZ-CG2 3.77Å; Y51-V135 HydrophobicContact CE1-CG2 4.42Å; P87-V135 HydrophobicContact CB-CG1 3.51Å; P87-V135 HydrophobicContact CG-CG1 3.74Å; V89-V135 HydrophobicContact CG2-CB 4.13Å; V89-V135 HydrophobicContact CG2-CG1 3.94Å; V89-V135 HydrophobicContact CG2-CG2 3.89Å; M131-V135 WeakPolarHBondContact O-CG2 3.48Å; M131-V135 PolarHBondContact O-N 3.34Å; M131-V135 VanDerWaalsContact O-N 3.08Å; L132-V135 PolarHBondContact O-N 3.33Å; R133-V135 VanDerWaalsContact C-N 3.34Å; R133-V135 PolarHBondContact O-N 3.19Å; V135-E137 VanDerWaalsContact C-N 3.32Å; V135-E137 PolarHBondContact O-N 3.18Å; V135-L138 PolarHBondContact O-N 3.08Å; V135-H139 PolarHBondContact O-N 3.36Å; V135-H139 PolarHBondContact O-ND1 3.49Å
136V98.1Very high97.4Very high17 Ų1744.1 Ų44.110%0.10320%0.203CC..Hα-helixtrans-61.4-40.5178.3173.40000111.2L132 R133 L138 H139 L142 W191 M194L132-V136 WeakPolarHBondContact O-CB 3.42Å; L132-V136 WeakPolarHBondContact O-CG2 3.3Å; L132-V136 PolarHBondContact O-N 3.03Å; R133-V136 PolarHBondContact O-N 3.47Å; V136-L138 VanDerWaalsContact C-N 3.31Å; V136-L138 PolarHBondContact O-N 2.78Å; V136-H139 CarbonylContact O-C 3.56Å; V136-H139 WeakPolarHBondContact O-CA 3.42Å; V136-H139 PolarHBondContact O-N 2.7Å; V136-L142 HydrophobicContact CB-CD2 4.33Å; V136-L142 HydrophobicContact CG1-CD2 4.38Å; V136-L142 HydrophobicContact CG2-CD2 3.84Å; V136-W191 HydrophobicContact CB-CH2 4.2Å; V136-W191 HydrophobicContact CB-CZ2 3.78Å; V136-W191 HydrophobicContact CG1-CD2 4.27Å; V136-W191 HydrophobicContact CG1-CZ2 3.88Å; V136-W191 HydrophobicContact CG2-CD2 4.38Å; V136-W191 HydrophobicContact CG2-CE3 4.35Å; V136-W191 HydrophobicContact CG2-CH2 3.81Å; V136-W191 HydrophobicContact CG2-CZ2 3.85Å; V136-W191 HydrophobicContact CG2-CZ3 4.07Å; V136-M194 HydrophobicContact CG1-CE 4.26Å; V136-M194 HydrophobicContact CG2-CE 4.35Å
137E97.6Very high97.4Very high108 Ų10838 Ų3851%0.50518%0.177SC..Hα-helixtrans-62.9-35.9177.6-79.6177-177.800113.4R133 Q134 V135 H139R133-E137 IonicContact CZ-OE1 3.38Å; R133-E137 IonicContact CZ-OE2 2.9Å; R133-E137 IonicContact NH1-OE1 2.77Å; R133-E137 PolarHBondContact NH1-OE1 3.07Å; R133-E137 IonicContact NH1-OE2 3.92Å; R133-E137 PolarHBondContact NH1-OE2 3.48Å; R133-E137 WeakPolarHBondContact O-CB 3.37Å; R133-E137 WeakPolarHBondContact O-CG 3.34Å; R133-E137 PolarHBondContact O-N 3.31Å; Q134-E137 PolarHBondContact O-N 2.88Å; V135-E137 VanDerWaalsContact C-N 3.32Å; V135-E137 PolarHBondContact O-N 3.18Å; E137-H139 PolarHBondContact O-N 3.23Å
138L97.5Very high97.4Very high6 Ų637.2 Ų37.23%0.03117%0.173CC..THydrogen-bonded Turntrans-79-3.9173-71.2-168000113.4F49 P50 R68 V71 Q75 Q134 V135 V136 P140F49-L138 HydrophobicContact CE1-CD1 4.28Å; F49-L138 HydrophobicContact CE2-CB 4.26Å; F49-L138 HydrophobicContact CE2-CD1 3.89Å; F49-L138 HydrophobicContact CZ-CB 4.06Å; F49-L138 HydrophobicContact CZ-CD1 3.5Å; F49-L138 HydrophobicContact CZ-CG 3.99Å; P50-L138 HydrophobicContact CG-CD1 3.9Å; R68-L138 HydrophobicContact CB-CD1 4.39Å; R68-L138 HydrophobicContact CB-CD2 4.23Å; R68-L138 HydrophobicContact CG-CD1 4.17Å; R68-L138 HydrophobicContact CG-CD2 4.32Å; V71-L138 HydrophobicContact CB-CD1 4.42Å; V71-L138 HydrophobicContact CG1-CB 4.13Å; V71-L138 HydrophobicContact CG1-CD1 4.34Å; Q75-L138 PolarHBondContact NE2-O 3.47Å; Q134-L138 PolarHBondContact O-N 3.31Å; V135-L138 PolarHBondContact O-N 3.08Å; V136-L138 VanDerWaalsContact C-N 3.31Å; V136-L138 PolarHBondContact O-N 2.78Å; L138-P140 WeakPolarHBondContact O-CD 3.38Å
139H97.6Very high97.4Very high2 Ų237.2 Ų37.21%0.00917%0.173CC..  trans-117.975.3175.2-64.971.6000111.6Y45 Q75 V135 V136 E137 H141 L142Y45-H139 AromaticContact CE2-CE1 3.68Å; Y45-H139 AromaticContact CE2-NE2 3.79Å; Y45-H139 AromaticContact CZ-CE1 3.87Å; Y45-H139 AromaticContact CZ-NE2 3.84Å; Y45-H139 PolarHBondContact OH-CE1 3.09Å; Y45-H139 PolarHBondContact OH-NE2 3.44Å; Q75-H139 VanDerWaalsContact OE1-CA 3.24Å; Q75-H139 PolarHBondContact OE1-CD2 2.96Å; Q75-H139 VanDerWaalsContact OE1-CD2 3.24Å; V135-H139 PolarHBondContact O-N 3.36Å; V135-H139 PolarHBondContact O-ND1 3.49Å; V136-H139 CarbonylContact O-C 3.56Å; V136-H139 WeakPolarHBondContact O-CA 3.42Å; V136-H139 PolarHBondContact O-N 2.7Å; E137-H139 PolarHBondContact O-N 3.23Å; H139-H141 PolarHBondContact O-N 3.17Å; H139-L142 HydrophobicContact CB-CB 3.87Å; H139-L142 HydrophobicContact CB-CD1 4.22Å; H139-L142 HydrophobicContact CB-CD2 4.14Å; H139-L142 HydrophobicContact CB-CG 4.33Å; H139-L142 WeakPolarHBondContact O-CB 3.5Å; H139-L142 PolarHBondContact O-N 3.29Å
140P90.8Very high97.4Very high87 Ų8735.9 Ų35.957%0.56517%0.166SC*.THydrogen-bonded Turntrans-66.9-10.6-166.526.8-36.7000115.7L138L138-P140 WeakPolarHBondContact O-CD 3.38Å
141H89.9Confident97.3Very high127 Ų12735.8 Ų35.859%0.58817%0.166SC*.THydrogen-bonded Turntrans-113.914.1177.7-60.2-40.9000113K79 H139 R143K79-H141 PolarHBondContact NZ-CD2 3.31Å; K79-H141 PolarHBondContact NZ-NE2 3.2Å; H139-H141 PolarHBondContact O-N 3.17Å; H141-R143 PolarHBondContact O-N 2.84Å
142L95.1Very high97.2Very high28 Ų2835.9 Ų35.915%0.14717%0.167CC..  trans-63.5132.2-174-167.964.4000112P87 V136 H139 T144 M194P87-L142 HydrophobicContact CG-CD1 3.88Å; P87-L142 HydrophobicContact CG-CD2 3.9Å; V136-L142 HydrophobicContact CB-CD2 4.33Å; V136-L142 HydrophobicContact CG1-CD2 4.38Å; V136-L142 HydrophobicContact CG2-CD2 3.84Å; H139-L142 HydrophobicContact CB-CB 3.87Å; H139-L142 HydrophobicContact CB-CD1 4.22Å; H139-L142 HydrophobicContact CB-CD2 4.14Å; H139-L142 HydrophobicContact CB-CG 4.33Å; H139-L142 WeakPolarHBondContact O-CB 3.5Å; H139-L142 PolarHBondContact O-N 3.29Å; L142-T144 WeakPolarHBondContact CD1-O 3.2Å; L142-M194 HydrophobicContact CB-CE 4.28Å; L142-M194 HydrophobicContact CD2-CE 3.83Å; L142-M194 HydrophobicContact CD2-SD 4.24Å; L142-M194 HydrophobicContact CG-CE 3.92Å; L142-M194 HydrophobicContact CG-SD 4.02Å
143R96.4Very high96.9Very high193 Ų19343.3 Ų43.373%0.72820%0.196SC*.  trans-123.6-10.7174.7-62.8-177.3-179-139.3-0.4113.2H141 N195H141-R143 PolarHBondContact O-N 2.84Å; R143-N195 WeakPolarHBondContact O-CB 3.24Å; R143-N195 PolarHBondContact O-N 2.9Å; R143-N195 PolarHBondContact O-ND2 2.65Å
144T98.6Very high96.6Very high13 Ų1340.8 Ų40.88%0.0819%0.191CC..EExtended strand (participates in β ladder)trans-147.6129.1-172.9-53.20000108.5I86 L142 M194 N195 I197I86-T144 HydrophobicContact CD1-CG2 4.05Å; I86-T144 HydrophobicContact CG1-CG2 4.46Å; I86-T144 HydrophobicContact CG2-CG2 4.2Å; L142-T144 WeakPolarHBondContact CD1-O 3.2Å; T144-M194 PolarHBondContact N-SD 3.29Å; T144-M194 VanDerWaalsContact N-SD 3.44Å; T144-N195 CarbonylContact C-O 3.57Å; T144-N195 VanDerWaalsContact CA-O 3.28Å; T144-N195 WeakPolarHBondContact CA-O 3.2Å; T144-N195 HydrophobicContact CG2-CB 4.06Å; T144-I197 HydrophobicContact CG2-CD1 3.54Å; T144-I197 HydrophobicContact CG2-CG1 3.69Å
145V98.8Very high96.5Very high3 Ų340.6 Ų40.62%0.01819%0.191CC..EExtended strand (participates in β ladder)trans-120.5144.7171.763.20000109P87 L132 I147 M194 N195 I196 I197P87-V145 HydrophobicContact CG-CG2 4.39Å; L132-V145 HydrophobicContact CD2-CG2 3.99Å; V145-I147 HydrophobicContact CG1-CG2 4.26Å; V145-M194 HydrophobicContact CB-SD 4.41Å; V145-M194 HydrophobicContact CG1-CG 3.86Å; V145-M194 HydrophobicContact CG1-SD 4.32Å; V145-N195 PolarHBondContact N-O 2.91Å; V145-I196 CarbonylContact O-C 3.59Å; V145-I196 WeakPolarHBondContact O-CA 3.22Å; V145-I197 PolarHBondContact O-N 2.83Å
146H98.9Very high96.5Very high0 Ų040.8 Ų40.80%019%0.192CC..EExtended strand (participates in β ladder)trans-100.5124.9169.1-166.8-61.1000109L42 I86 P87 L88 V89 G148 I197 W199L42-H146 HydrophobicContact CD1-CB 3.9Å; I86-H146 HydrophobicContact CG2-CB 4.38Å; P87-H146 PolarHBondContact O-N 3.07Å; L88-H146 CarbonylContact C-O 3.59Å; L88-H146 VanDerWaalsContact CA-O 3.32Å; L88-H146 WeakPolarHBondContact CA-O 3.41Å; L88-H146 HydrophobicContact CB-CB 4.01Å; L88-H146 HydrophobicContact CD1-CB 4.37Å; L88-H146 HydrophobicContact CG-CB 3.89Å; L88-H146 WeakPolarHBondContact CG-ND1 3.33Å; V89-H146 PolarHBondContact N-O 3.12Å; H146-G148 PolarHBondContact ND1-N 3.39Å; H146-I197 CarbonylContact C-O 3.56Å; H146-I197 WeakPolarHBondContact CA-O 3.15Å; H146-I197 HydrophobicContact CB-CB 4.21Å; H146-I197 WeakPolarHBondContact CD2-CG2 3.49Å; H146-I197 WeakPolarHBondContact NE2-CG2 3.48Å; H146-W199 AromaticContact CE1-CD1 3.52Å; H146-W199 AromaticContact CE1-CD2 3.48Å; H146-W199 VanDerWaalsContact CE1-CD2 3.48Å; H146-W199 AromaticContact CE1-CE2 3.43Å; H146-W199 VanDerWaalsContact CE1-CE2 3.43Å; H146-W199 AromaticContact CE1-CG 3.57Å; H146-W199 AromaticContact CE1-NE1 3.47Å; H146-W199 PolarHBondContact CE1-NE1 2.81Å; H146-W199 AromaticContact NE2-CD2 3.61Å; H146-W199 AromaticContact NE2-CE2 3.73Å; H146-W199 AromaticContact NE2-CE3 3.85Å
147I98.8Very high96.4Very high0 Ų045.2 Ų45.20%021%0.212CC..  trans-97.35.6-174.164.2164.5000113.9V89 T91 V145 A149 I187 I196 I197 M198V89-I147 CarbonylContact O-C 3.59Å; V89-I147 VanDerWaalsContact O-CA 3.26Å; V89-I147 WeakPolarHBondContact O-CA 3.48Å; T91-I147 WeakPolarHBondContact CB-O 3.28Å; T91-I147 HydrophobicContact CG2-CB 3.9Å; T91-I147 HydrophobicContact CG2-CG2 4.44Å; T91-I147 WeakPolarHBondContact CG2-O 3.46Å; T91-I147 PolarHBondContact N-O 3.11Å; T91-I147 PolarHBondContact OG1-O 3.35Å; V145-I147 HydrophobicContact CG1-CG2 4.26Å; I147-A149 PolarHBondContact O-N 2.96Å; I147-A149 VanDerWaalsContact O-N 3.15Å; I147-I187 HydrophobicContact CG2-CD1 3.54Å; I147-I196 HydrophobicContact CB-CG2 4.45Å; I147-I196 HydrophobicContact CD1-CG2 3.91Å; I147-I196 HydrophobicContact CG1-CG2 3.95Å; I147-I196 HydrophobicContact CG2-CG2 3.7Å; I147-I197 WeakPolarHBondContact CG1-O 3.49Å; I147-I197 PolarHBondContact N-O 2.9Å; I147-M198 HydrophobicContact CD1-CB 4.31Å; I147-M198 HydrophobicContact CD1-CG 4.13Å; I147-M198 HydrophobicContact CD1-SD 4.11Å; I147-M198 HydrophobicContact CG1-CB 3.96Å; I147-M198 HydrophobicContact CG1-CG 3.95Å
148G98.4Very high96.4Very high0 Ų040.1 Ų40.10%019%0.188CC..  trans65.2-114.5-179.800000110.1H146 M198 W199H146-G148 PolarHBondContact ND1-N 3.39Å; G148-M198 VanDerWaalsContact O-CG 3.32Å; G148-M198 WeakPolarHBondContact O-CG 3.47Å; G148-W199 PolarHBondContact O-N 3.01Å; G148-W199 VanDerWaalsContact O-N 3.14Å
149A97.8Very high96.4Very high0 Ų046.6 Ų46.60%022%0.218CC..  trans70.328.7176.300000114.5F92 I147 F176 V180 M198F92-A149 HydrophobicContact CB-CB 4.02Å; I147-A149 PolarHBondContact O-N 2.96Å; I147-A149 VanDerWaalsContact O-N 3.15Å; A149-F176 WeakPolarHBondContact O-CE2 3.34Å; A149-V180 HydrophobicContact CB-CG1 3.91Å; A149-M198 HydrophobicContact CB-CG 4.09Å; A149-M198 HydrophobicContact CB-SD 4.29Å
150D97.8Very high96.4Very high7 Ų749.3 Ų49.34%0.03723%0.233CC..  trans-83.9162.4171.648.7-31.9000112.8Q90 G93 H94 V152 W199 D201Q90-D150 PolarHBondContact NE2-OD1 3.49Å; Q90-D150 PolarHBondContact OE1-OD1 3.34Å; G93-D150 WeakPolarHBondContact CA-O 3.47Å; H94-D150 IonicContact CD2-OD1 3.96Å; H94-D150 PolarHBondContact CD2-OD1 2.99Å; H94-D150 IonicContact CD2-OD2 3.07Å; H94-D150 PolarHBondContact CD2-OD2 2.98Å; H94-D150 IonicContact NE2-OD2 2.76Å; H94-D150 PolarHBondContact NE2-OD2 3.24Å; D150-V152 VanDerWaalsContact C-N 3.31Å; D150-V152 WeakPolarHBondContact O-CG2 3.42Å; D150-V152 PolarHBondContact O-N 3.37Å; D150-V152 VanDerWaalsContact O-N 3.11Å; D150-W199 HydrophobicContact CB-CB 3.77Å; D150-W199 VanDerWaalsContact CB-CD1 3.5Å; D150-W199 HydrophobicContact CB-CG 3.87Å; D150-D201 VanDerWaalsContact CB-OD1 3.29Å; D150-D201 WeakPolarHBondContact CB-OD1 3.2Å
151E97.4Very high96.7Very high60 Ų6045.1 Ų45.128%0.2821%0.206SC..  trans54.837.4162.5-56.3-145.412800115.5H94 Y153 D201H94-E151 IonicContact CE1-OE2 3.11Å; H94-E151 PolarHBondContact CE1-OE2 3.09Å; H94-E151 WeakPolarHBondContact NE2-CB 3.38Å; H94-E151 IonicContact NE2-OE2 3.36Å; H94-E151 PolarHBondContact NE2-OE2 2.64Å; E151-Y153 HydrophobicContact CB-CD2 4.06Å; E151-Y153 HydrophobicContact CB-CE1 4.49Å; E151-Y153 HydrophobicContact CB-CE2 3.46Å; E151-Y153 VanDerWaalsContact CB-CE2 3.46Å; E151-Y153 VanDerWaalsContact CD-OH 3.24Å; E151-Y153 HydrophobicContact CG-CE2 3.85Å; E151-Y153 WeakPolarHBondContact CG-OH 3.34Å; E151-Y153 WeakPolarHBondContact O-CD2 3.49Å; E151-Y153 PolarHBondContact O-N 3.46Å; E151-Y153 PolarHBondContact OE1-OH 3.24Å; E151-D201 PolarHBondContact N-OD2 3.43Å
152V96.6Very high97.1Very high2 Ų243.3 Ų43.31%0.01220%0.196CC..  trans-80.353.4-178.4-156.90000111.6F92 T116 D150 S154 L155 F176 M202F92-V152 HydrophobicContact CB-CG2 4.25Å; F92-V152 HydrophobicContact CD1-CG1 4.27Å; F92-V152 HydrophobicContact CD1-CG2 3.89Å; F92-V152 HydrophobicContact CD2-CG1 3.94Å; F92-V152 HydrophobicContact CE1-CG1 4.29Å; F92-V152 HydrophobicContact CE1-CG2 4.47Å; F92-V152 HydrophobicContact CE2-CG1 3.96Å; F92-V152 HydrophobicContact CG-CG1 4.12Å; F92-V152 HydrophobicContact CG-CG2 3.98Å; F92-V152 HydrophobicContact CZ-CG1 4.15Å; T116-V152 HydrophobicContact CG2-CG1 3.33Å; D150-V152 VanDerWaalsContact C-N 3.31Å; D150-V152 WeakPolarHBondContact O-CG2 3.42Å; D150-V152 PolarHBondContact O-N 3.37Å; D150-V152 VanDerWaalsContact O-N 3.11Å; V152-S154 VanDerWaalsContact C-N 3.3Å; V152-S154 PolarHBondContact O-N 3.07Å; V152-L155 HydrophobicContact CG1-CB 3.98Å; V152-L155 VanDerWaalsContact O-CB 3.29Å; V152-L155 WeakPolarHBondContact O-CB 3.46Å; V152-L155 PolarHBondContact O-N 3.43Å; V152-F176 HydrophobicContact CG2-CD2 4.29Å; V152-F176 HydrophobicContact CG2-CE2 4.04Å; V152-M202 HydrophobicContact CB-CE 3.89Å; V152-M202 HydrophobicContact CB-SD 4.16Å; V152-M202 HydrophobicContact CG2-CE 4.49Å; V152-M202 HydrophobicContact CG2-CG 4.15Å; V152-M202 HydrophobicContact CG2-SD 4.38Å; V152-M202 PolarHBondContact N-SD 2.76Å; V152-M202 VanDerWaalsContact N-SD 3.38Å
153Y91.9Very high97.2Very high157 Ų15747.9 Ų47.962%0.61622%0.22SC*.THydrogen-bonded Turntrans-67.3-22.6-166.3-59.5-51.6000115.1E151E151-Y153 HydrophobicContact CB-CD2 4.06Å; E151-Y153 HydrophobicContact CB-CE1 4.49Å; E151-Y153 HydrophobicContact CB-CE2 3.46Å; E151-Y153 VanDerWaalsContact CB-CE2 3.46Å; E151-Y153 VanDerWaalsContact CD-OH 3.24Å; E151-Y153 HydrophobicContact CG-CE2 3.85Å; E151-Y153 WeakPolarHBondContact CG-OH 3.34Å; E151-Y153 WeakPolarHBondContact O-CD2 3.49Å; E151-Y153 PolarHBondContact O-N 3.46Å; E151-Y153 PolarHBondContact OE1-OH 3.24Å
154S93.7Very high97.2Very high32 Ų3241.9 Ų41.922%0.22420%0.198CC..THydrogen-bonded Turntrans-89.83.6178.4-62.20000113.8V152 G156 E157V152-S154 VanDerWaalsContact C-N 3.3Å; V152-S154 PolarHBondContact O-N 3.07Å; S154-G156 PolarHBondContact O-N 2.8Å; S154-E157 WeakPolarHBondContact O-CB 3.49Å; S154-E157 PolarHBondContact O-N 2.84Å
155L97.2Very high97.1Very high10 Ų1043.5 Ų43.55%0.05221%0.205CC..THydrogen-bonded Turntrans-63.7130.8-176-17263.6000111.9F92 P119 V152 V172 L175 F176F92-L155 HydrophobicContact CE1-CD2 4.23Å; F92-L155 HydrophobicContact CE2-CD1 4Å; F92-L155 HydrophobicContact CZ-CD1 3.59Å; F92-L155 HydrophobicContact CZ-CD2 3.96Å; F92-L155 HydrophobicContact CZ-CG 4.42Å; P119-L155 HydrophobicContact CG-CD1 3.88Å; V152-L155 HydrophobicContact CG1-CB 3.98Å; V152-L155 VanDerWaalsContact O-CB 3.29Å; V152-L155 WeakPolarHBondContact O-CB 3.46Å; V152-L155 PolarHBondContact O-N 3.43Å; L155-V172 HydrophobicContact CB-CG1 4.18Å; L155-V172 HydrophobicContact CD2-CG1 3.98Å; L155-V172 HydrophobicContact CG-CG1 4.04Å; L155-L175 HydrophobicContact CD1-CB 4.43Å; L155-L175 HydrophobicContact CD2-CB 4.11Å; L155-L175 HydrophobicContact CG-CB 4.31Å; L155-F176 HydrophobicContact CD2-CB 3.7Å; L155-F176 HydrophobicContact CD2-CD2 4.41Å
156G97.3Very high97Very high4 Ų447.4 Ų47.44%0.04124%0.238CC..THydrogen-bonded Turntrans96-9.8-178.900000113.6E109 S154 K162E109-G156 PolarHBondContact OE1-N 2.61Å; S154-G156 PolarHBondContact O-N 2.8Å; G156-K162 WeakPolarHBondContact O-CG 3.33Å
157E97.3Very high96.8Very high111 Ų11150.3 Ų50.352%0.51926%0.258SS..  trans-89.9-12.7-178.7-66.6-58.5147.600113.8E109 V110 S154 K162E109-E157 PolarHBondContact OE1-N 3.06Å; V110-E157 HydrophobicContact CG2-CB 3.61Å; S154-E157 WeakPolarHBondContact O-CB 3.49Å; S154-E157 PolarHBondContact O-N 2.84Å; E157-K162 WeakPolarHBondContact O-CE 3.41Å; E157-K162 PolarHBondContact O-NZ 3.41Å; E157-K162 VanDerWaalsContact OE2-CE 3.27Å; E157-K162 WeakPolarHBondContact OE2-CE 3.46Å; E157-K162 IonicContact OE2-NZ 3.49Å; E157-K162 PolarHBondContact OE2-NZ 3.46Å
158G97.4Very high96.4Very high1 Ų157.4 Ų57.41%0.0130%0.302CS..SBendtrans-69.6153.5173.700000112.8E109 D160 S161 K162E109-G158 WeakPolarHBondContact O-CA 3.32Å; E109-G158 PolarHBondContact OE1-N 3.29Å; E109-G158 VanDerWaalsContact OE1-N 3.12Å; G158-D160 PolarHBondContact O-N 2.94Å; G158-S161 PolarHBondContact O-N 2.93Å; G158-K162 WeakPolarHBondContact O-CB 3.09Å; G158-K162 WeakPolarHBondContact O-CG 3.46Å; G158-K162 PolarHBondContact O-N 2.74Å
159E96.7Very high95.8Very high141 Ų14160 Ų6066%0.65933%0.329SS*.Hα-helixtrans-59.7-44.6-179.8-67.3-60.9144.700112.4S161 K162 L163E159-S161 VanDerWaalsContact C-N 3.33Å; E159-S161 PolarHBondContact O-N 2.84Å; E159-K162 PolarHBondContact O-N 3.38Å; E159-L163 VanDerWaalsContact O-CG 3.29Å; E159-L163 WeakPolarHBondContact O-CG 3.43Å; E159-L163 PolarHBondContact O-N 3.34Å
160D96.8Very high95.6Very high59 Ų5963.3 Ų63.332%0.31634%0.344SS..Hα-helixtrans-59.8-45.3177.2-67.2-31.9000110.8N118 H120 K121 G158 L163 W164N118-D160 PolarHBondContact ND2-OD2 2.79Å; H120-D160 HydrophobicContact CB-CB 4.21Å; K121-D160 VanDerWaalsContact CE-OD2 3.28Å; K121-D160 WeakPolarHBondContact CE-OD2 3.47Å; K121-D160 IonicContact NZ-OD2 2.7Å; K121-D160 PolarHBondContact NZ-OD2 3.47Å; G158-D160 PolarHBondContact O-N 2.94Å; D160-L163 PolarHBondContact O-N 3.28Å; D160-W164 WeakPolarHBondContact O-CB 3.29Å; D160-W164 PolarHBondContact O-N 3.25Å
161S97.8Very high95.5Very high0 Ų064.6 Ų64.60%035%0.354CS..Hα-helixtrans-68.2-39.8179.1-56.70000112.5E109 H120 G158 E159 L163 W164 L165E109-S161 WeakPolarHBondContact OE1-CB 3.42Å; E109-S161 PolarHBondContact OE1-OG 3.19Å; E109-S161 PolarHBondContact OE2-OG 2.78Å; H120-S161 PolarHBondContact CD2-OG 3Å; H120-S161 WeakPolarHBondContact NE2-CA 3.48Å; H120-S161 PolarHBondContact NE2-OG 3.04Å; G158-S161 PolarHBondContact O-N 2.93Å; E159-S161 VanDerWaalsContact C-N 3.33Å; E159-S161 PolarHBondContact O-N 2.84Å; S161-L163 VanDerWaalsContact C-N 3.34Å; S161-L163 PolarHBondContact O-N 2.83Å; S161-W164 PolarHBondContact O-N 3.32Å; S161-L165 VanDerWaalsContact O-CB 3.31Å; S161-L165 WeakPolarHBondContact O-CB 3.45Å; S161-L165 WeakPolarHBondContact O-CG 3.44Å; S161-L165 PolarHBondContact O-N 3.4Å
162K98Very high95.5Very high88 Ų8864.4 Ų64.438%0.38336%0.356SS..Hα-helixtrans-61.1-43174.3-79.4174.5167.2144.20111.7G156 E157 G158 E159 L165 A166G156-K162 WeakPolarHBondContact O-CG 3.33Å; E157-K162 WeakPolarHBondContact O-CE 3.41Å; E157-K162 PolarHBondContact O-NZ 3.41Å; E157-K162 VanDerWaalsContact OE2-CE 3.27Å; E157-K162 WeakPolarHBondContact OE2-CE 3.46Å; E157-K162 IonicContact OE2-NZ 3.49Å; E157-K162 PolarHBondContact OE2-NZ 3.46Å; G158-K162 WeakPolarHBondContact O-CB 3.09Å; G158-K162 WeakPolarHBondContact O-CG 3.46Å; G158-K162 PolarHBondContact O-N 2.74Å; E159-K162 PolarHBondContact O-N 3.38Å; K162-L165 PolarHBondContact O-N 3.49Å; K162-A166 PolarHBondContact O-N 2.81Å; K162-A166 VanDerWaalsContact O-N 3.1Å
163L97Very high95.5Very high124 Ų12468.3 Ų68.365%0.64938%0.375SS*.Hα-helixtrans-64.1-41.3175-71170.9000111.6E159 D160 S161 A166E159-L163 VanDerWaalsContact O-CG 3.29Å; E159-L163 WeakPolarHBondContact O-CG 3.43Å; E159-L163 PolarHBondContact O-N 3.34Å; D160-L163 PolarHBondContact O-N 3.28Å; S161-L163 VanDerWaalsContact C-N 3.34Å; S161-L163 PolarHBondContact O-N 2.83Å; L163-A166 PolarHBondContact O-N 3.17Å
164W96.9Very high95.7Very high68 Ų6864.6 Ų64.626%0.25836%0.363SS..Hα-helixtrans-64.7-48.2176.3-173.486.1000111.4H120 D160 S161 A166 S167 H170 S171 Q174 L175H120-W164 AromaticContact CE1-CD1 3.83Å; H120-W164 AromaticContact CE1-CG 3.58Å; D160-W164 WeakPolarHBondContact O-CB 3.29Å; D160-W164 PolarHBondContact O-N 3.25Å; S161-W164 PolarHBondContact O-N 3.32Å; W164-A166 PolarHBondContact O-N 3.47Å; W164-S167 WeakPolarHBondContact O-CB 3.37Å; W164-S167 PolarHBondContact O-N 3.14Å; W164-S167 VanDerWaalsContact O-N 3.15Å; W164-H170 AromaticContact CD1-CE1 3.74Å; W164-H170 AromaticContact CD1-ND1 3.81Å; W164-H170 HydrophobicContact CD2-CB 4.21Å; W164-H170 AromaticContact CD2-CE1 3.87Å; W164-H170 AromaticContact CD2-CG 3.81Å; W164-H170 AromaticContact CD2-ND1 3.33Å; W164-H170 VanDerWaalsContact CD2-ND1 3.33Å; W164-H170 AromaticContact CE2-CD2 3.91Å; W164-H170 AromaticContact CE2-CE1 3.36Å; W164-H170 AromaticContact CE2-CG 3.65Å; W164-H170 AromaticContact CE2-ND1 3.27Å; W164-H170 VanDerWaalsContact CE2-ND1 3.27Å; W164-H170 AromaticContact CE2-NE2 3.76Å; W164-H170 HydrophobicContact CE3-CB 3.72Å; W164-H170 AromaticContact CE3-CG 3.83Å; W164-H170 AromaticContact CE3-ND1 3.78Å; W164-H170 AromaticContact CG-ND1 3.71Å; W164-H170 HydrophobicContact CH2-CB 3.76Å; W164-H170 AromaticContact CH2-CD2 3.76Å; W164-H170 AromaticContact CH2-CG 3.6Å; W164-H170 HydrophobicContact CZ2-CB 4.24Å; W164-H170 AromaticContact CZ2-CD2 3.52Å; W164-H170 AromaticContact CZ2-CE1 3.76Å; W164-H170 AromaticContact CZ2-CG 3.57Å; W164-H170 AromaticContact CZ2-ND1 3.7Å; W164-H170 AromaticContact CZ2-NE2 3.66Å; W164-H170 HydrophobicContact CZ3-CB 3.46Å; W164-H170 VanDerWaalsContact CZ3-CB 3.46Å; W164-H170 AromaticContact CZ3-CG 3.72Å; W164-H170 AromaticContact NE1-CE1 3.26Å; W164-H170 PolarHBondContact NE1-CE1 2.91Å; W164-H170 VanDerWaalsContact NE1-CE1 3.26Å; W164-H170 AromaticContact NE1-ND1 3.56Å; W164-H170 AromaticContact NE1-NE2 3.87Å; W164-H170 PolarHBondContact O-ND1 3.38Å; W164-S171 WeakPolarHBondContact CZ3-O 3.42Å; W164-Q174 HydrophobicContact CH2-CB 3.82Å; W164-L175 HydrophobicContact CD2-CD2 3.69Å; W164-L175 HydrophobicContact CD2-CG 4.39Å; W164-L175 HydrophobicContact CE3-CD1 4.04Å; W164-L175 HydrophobicContact CE3-CD2 3.31Å; W164-L175 HydrophobicContact CE3-CG 3.52Å; W164-L175 HydrophobicContact CG-CD2 4.39Å; W164-L175 HydrophobicContact CH2-CD2 4.1Å; W164-L175 HydrophobicContact CH2-CG 4.18Å; W164-L175 HydrophobicContact CZ2-CD2 4.41Å; W164-L175 HydrophobicContact CZ3-CB 4.46Å; W164-L175 HydrophobicContact CZ3-CD1 4.25Å; W164-L175 HydrophobicContact CZ3-CD2 3.55Å; W164-L175 HydrophobicContact CZ3-CG 3.4Å
165L97.4Very high95.8Very high46 Ų4663.4 Ų63.424%0.24135%0.354CS..Hα-helixtrans-63.8-21.6179.8-71.6168.8000113.8S161 K162 S167 V172 L175S161-L165 VanDerWaalsContact O-CB 3.31Å; S161-L165 WeakPolarHBondContact O-CB 3.45Å; S161-L165 WeakPolarHBondContact O-CG 3.44Å; S161-L165 PolarHBondContact O-N 3.4Å; K162-L165 PolarHBondContact O-N 3.49Å; L165-S167 PolarHBondContact O-N 3.19Å; L165-V172 HydrophobicContact CD1-CG2 3.95Å; L165-V172 HydrophobicContact CD2-CG2 4.21Å; L165-L175 HydrophobicContact CD1-CD1 4.08Å; L165-L175 HydrophobicContact CD2-CD1 4.09Å; L165-L175 HydrophobicContact CG-CD1 4.03Å
166A96.4Very high95.9Very high85 Ų8563 Ų6370%0.70235%0.351SS*.THydrogen-bonded Turntrans-66.3-14.9175.400000113.6K162 L163 W164K162-A166 PolarHBondContact O-N 2.81Å; K162-A166 VanDerWaalsContact O-N 3.1Å; L163-A166 PolarHBondContact O-N 3.17Å; W164-A166 PolarHBondContact O-N 3.47Å
167S94.4Very high96Very high61 Ų6163.1 Ų63.143%0.42735%0.351SS..SBendtrans-83.2142.7177.9-57.50000112W164 L165 G169 H170W164-S167 WeakPolarHBondContact O-CB 3.37Å; W164-S167 PolarHBondContact O-N 3.14Å; W164-S167 VanDerWaalsContact O-N 3.15Å; L165-S167 PolarHBondContact O-N 3.19Å; S167-G169 PolarHBondContact O-N 2.9Å; S167-H170 WeakPolarHBondContact O-CB 3.21Å; S167-H170 PolarHBondContact O-N 3.26Å
168T89.8Confident95.9Very high150 Ų15061.5 Ų61.592%0.9235%0.353SS*.THydrogen-bonded Turntrans-60.2129.6-179-51.70000112
169G86.3Confident96Very high54 Ų5461.7 Ų61.756%0.55735%0.353SS*.THydrogen-bonded Turntrans87.14.5176.300000114.6S167 Q174S167-G169 PolarHBondContact O-N 2.9Å; G169-Q174 PolarHBondContact O-NE2 3.36Å; G169-Q174 PolarHBondContact O-OE1 2.8Å
170H93.7Very high96.1Very high69 Ų6955 Ų5532%0.31932%0.322SS..  trans-89140.9170.3-72.9176.3000111.8W164 S167W164-H170 AromaticContact CD1-CE1 3.74Å; W164-H170 AromaticContact CD1-ND1 3.81Å; W164-H170 HydrophobicContact CD2-CB 4.21Å; W164-H170 AromaticContact CD2-CE1 3.87Å; W164-H170 AromaticContact CD2-CG 3.81Å; W164-H170 AromaticContact CD2-ND1 3.33Å; W164-H170 VanDerWaalsContact CD2-ND1 3.33Å; W164-H170 AromaticContact CE2-CD2 3.91Å; W164-H170 AromaticContact CE2-CE1 3.36Å; W164-H170 AromaticContact CE2-CG 3.65Å; W164-H170 AromaticContact CE2-ND1 3.27Å; W164-H170 VanDerWaalsContact CE2-ND1 3.27Å; W164-H170 AromaticContact CE2-NE2 3.76Å; W164-H170 HydrophobicContact CE3-CB 3.72Å; W164-H170 AromaticContact CE3-CG 3.83Å; W164-H170 AromaticContact CE3-ND1 3.78Å; W164-H170 AromaticContact CG-ND1 3.71Å; W164-H170 HydrophobicContact CH2-CB 3.76Å; W164-H170 AromaticContact CH2-CD2 3.76Å; W164-H170 AromaticContact CH2-CG 3.6Å; W164-H170 HydrophobicContact CZ2-CB 4.24Å; W164-H170 AromaticContact CZ2-CD2 3.52Å; W164-H170 AromaticContact CZ2-CE1 3.76Å; W164-H170 AromaticContact CZ2-CG 3.57Å; W164-H170 AromaticContact CZ2-ND1 3.7Å; W164-H170 AromaticContact CZ2-NE2 3.66Å; W164-H170 HydrophobicContact CZ3-CB 3.46Å; W164-H170 VanDerWaalsContact CZ3-CB 3.46Å; W164-H170 AromaticContact CZ3-CG 3.72Å; W164-H170 AromaticContact NE1-CE1 3.26Å; W164-H170 PolarHBondContact NE1-CE1 2.91Å; W164-H170 VanDerWaalsContact NE1-CE1 3.26Å; W164-H170 AromaticContact NE1-ND1 3.56Å; W164-H170 AromaticContact NE1-NE2 3.87Å; W164-H170 PolarHBondContact O-ND1 3.38Å; S167-H170 WeakPolarHBondContact O-CB 3.21Å; S167-H170 PolarHBondContact O-N 3.26Å
171S96.2Very high96.2Very high35 Ų3552.6 Ų52.625%0.24531%0.309CS..  trans-145.8161.4177.5860000112.4W164 E173 Q174 L175W164-S171 WeakPolarHBondContact CZ3-O 3.42Å; S171-E173 WeakPolarHBondContact CB-OE2 3.47Å; S171-E173 PolarHBondContact O-N 2.95Å; S171-E173 PolarHBondContact OG-N 3.28Å; S171-E173 PolarHBondContact OG-OE2 3.11Å; S171-Q174 WeakPolarHBondContact O-CB 3.45Å; S171-Q174 PolarHBondContact O-N 2.83Å; S171-Q174 VanDerWaalsContact O-N 3.09Å; S171-Q174 PolarHBondContact OG-N 3.22Å; S171-L175 PolarHBondContact O-N 2.95Å
172V96.8Very high96.2Very high55 Ų5555.5 Ų55.533%0.33332%0.322SS..Hα-helixtrans-62.4-34.9178177.30000110.8L155 L165 Q174 L175 F176L155-V172 HydrophobicContact CB-CG1 4.18Å; L155-V172 HydrophobicContact CD2-CG1 3.98Å; L155-V172 HydrophobicContact CG-CG1 4.04Å; L165-V172 HydrophobicContact CD1-CG2 3.95Å; L165-V172 HydrophobicContact CD2-CG2 4.21Å; V172-Q174 VanDerWaalsContact C-N 3.28Å; V172-Q174 PolarHBondContact O-N 3.48Å; V172-L175 WeakPolarHBondContact O-CB 3.42Å; V172-L175 PolarHBondContact O-N 3.48Å; V172-F176 PolarHBondContact O-N 3.17Å
173E96.9Very high96.2Very high85 Ų8551.3 Ų51.340%0.39730%0.304SS..Hα-helixtrans-60.7-39174.6-57.284.2174.800111.6S171 F176 L177 M206S171-E173 WeakPolarHBondContact CB-OE2 3.47Å; S171-E173 PolarHBondContact O-N 2.95Å; S171-E173 PolarHBondContact OG-N 3.28Å; S171-E173 PolarHBondContact OG-OE2 3.11Å; E173-F176 PolarHBondContact O-N 3.31Å; E173-L177 WeakPolarHBondContact O-CB 3.4Å; E173-L177 WeakPolarHBondContact O-CD1 3.49Å; E173-L177 WeakPolarHBondContact O-CG 3.46Å; E173-L177 PolarHBondContact O-N 3.38Å; E173-M206 HydrophobicContact CB-CE 3.75Å; E173-M206 HydrophobicContact CB-CG 4.11Å; E173-M206 HydrophobicContact CB-SD 4.16Å; E173-M206 HydrophobicContact CG-CE 4.06Å; E173-M206 HydrophobicContact CG-CG 3.88Å
174Q96.1Very high96.3Very high79 Ų7945.4 Ų45.437%0.36927%0.273SS..Hα-helixtrans-72-35.5176.8-70.2169.4-25.900112.6W164 G169 S171 V172 F176 S178W164-Q174 HydrophobicContact CH2-CB 3.82Å; G169-Q174 PolarHBondContact O-NE2 3.36Å; G169-Q174 PolarHBondContact O-OE1 2.8Å; S171-Q174 WeakPolarHBondContact O-CB 3.45Å; S171-Q174 PolarHBondContact O-N 2.83Å; S171-Q174 VanDerWaalsContact O-N 3.09Å; S171-Q174 PolarHBondContact OG-N 3.22Å; V172-Q174 VanDerWaalsContact C-N 3.28Å; V172-Q174 PolarHBondContact O-N 3.48Å; Q174-F176 VanDerWaalsContact C-N 3.31Å; Q174-S178 WeakPolarHBondContact O-CB 3.3Å; Q174-S178 PolarHBondContact O-N 3.14Å
175L96.6Very high96.4Very high6 Ų647 Ų473%0.03128%0.281CS..Hα-helixtrans-57.2-49.2170.1-76.8175000110.2P119 L155 W164 L165 S171 V172 S178 H179P119-L175 HydrophobicContact CG-CD2 4.25Å; L155-L175 HydrophobicContact CD1-CB 4.43Å; L155-L175 HydrophobicContact CD2-CB 4.11Å; L155-L175 HydrophobicContact CG-CB 4.31Å; W164-L175 HydrophobicContact CD2-CD2 3.69Å; W164-L175 HydrophobicContact CD2-CG 4.39Å; W164-L175 HydrophobicContact CE3-CD1 4.04Å; W164-L175 HydrophobicContact CE3-CD2 3.31Å; W164-L175 HydrophobicContact CE3-CG 3.52Å; W164-L175 HydrophobicContact CG-CD2 4.39Å; W164-L175 HydrophobicContact CH2-CD2 4.1Å; W164-L175 HydrophobicContact CH2-CG 4.18Å; W164-L175 HydrophobicContact CZ2-CD2 4.41Å; W164-L175 HydrophobicContact CZ3-CB 4.46Å; W164-L175 HydrophobicContact CZ3-CD1 4.25Å; W164-L175 HydrophobicContact CZ3-CD2 3.55Å; W164-L175 HydrophobicContact CZ3-CG 3.4Å; L165-L175 HydrophobicContact CD1-CD1 4.08Å; L165-L175 HydrophobicContact CD2-CD1 4.09Å; L165-L175 HydrophobicContact CG-CD1 4.03Å; S171-L175 PolarHBondContact O-N 2.95Å; V172-L175 WeakPolarHBondContact O-CB 3.42Å; V172-L175 PolarHBondContact O-N 3.48Å; L175-S178 PolarHBondContact O-N 3.16Å; L175-H179 PolarHBondContact O-N 3.12Å; L175-H179 VanDerWaalsContact O-N 3.17Å
176F98.4Very high96.4Very high1 Ų145.9 Ų45.90%0.00428%0.279CS..Hα-helixtrans-59.1-55.7-179.8177.3-95.3000111.1F92 A149 V152 L155 V172 E173 Q174 S178 H179 V180 M198 M202 M203 M206F92-F176 AromaticContact CD1-CD2 3.83Å; F92-F176 HydrophobicContact CD1-CD2 3.83Å; F92-F176 AromaticContact CD1-CE2 3.87Å; F92-F176 HydrophobicContact CD1-CE2 3.87Å; F92-F176 AromaticContact CE1-CD2 3.57Å; F92-F176 HydrophobicContact CE1-CD2 3.57Å; F92-F176 HydrophobicContact CE1-CE2 4.11Å; F92-F176 HydrophobicContact CE1-CG 4.36Å; A149-F176 WeakPolarHBondContact O-CE2 3.34Å; V152-F176 HydrophobicContact CG2-CD2 4.29Å; V152-F176 HydrophobicContact CG2-CE2 4.04Å; L155-F176 HydrophobicContact CD2-CB 3.7Å; L155-F176 HydrophobicContact CD2-CD2 4.41Å; V172-F176 PolarHBondContact O-N 3.17Å; E173-F176 PolarHBondContact O-N 3.31Å; Q174-F176 VanDerWaalsContact C-N 3.31Å; F176-S178 VanDerWaalsContact C-N 3.3Å; F176-S178 PolarHBondContact O-N 2.83Å; F176-H179 PolarHBondContact O-N 3.33Å; F176-V180 HydrophobicContact CD1-CG2 4.35Å; F176-V180 HydrophobicContact CD2-CG1 4.48Å; F176-V180 HydrophobicContact CE1-CG1 4.16Å; F176-V180 HydrophobicContact CE1-CG2 4.01Å; F176-V180 HydrophobicContact CE2-CG1 3.93Å; F176-V180 HydrophobicContact CZ-CG1 3.75Å; F176-V180 HydrophobicContact CZ-CG2 4.43Å; F176-V180 WeakPolarHBondContact O-CG2 3.43Å; F176-V180 PolarHBondContact O-N 2.76Å; F176-V180 VanDerWaalsContact O-N 3.11Å; F176-M198 HydrophobicContact CE1-CE 4.3Å; F176-M198 HydrophobicContact CZ-CE 4.36Å; F176-M202 HydrophobicContact CD1-CB 4.1Å; F176-M202 HydrophobicContact CD2-CB 3.82Å; F176-M202 HydrophobicContact CD2-CE 4.25Å; F176-M202 HydrophobicContact CD2-CG 4.03Å; F176-M202 HydrophobicContact CE1-CB 3.71Å; F176-M202 HydrophobicContact CE2-CB 3.41Å; F176-M202 VanDerWaalsContact CE2-CB 3.41Å; F176-M202 HydrophobicContact CE2-CG 3.52Å; F176-M202 HydrophobicContact CG-CB 4.16Å; F176-M202 HydrophobicContact CZ-CB 3.36Å; F176-M202 HydrophobicContact CZ-CG 3.9Å; F176-M203 HydrophobicContact CE1-CG 4.04Å; F176-M206 HydrophobicContact CB-CE 4.33Å; F176-M206 HydrophobicContact CD1-CE 3.65Å; F176-M206 HydrophobicContact CE1-CE 4.42Å; F176-M206 HydrophobicContact CG-CE 4.28Å
177L98.2Very high96.6Very high7 Ų741.8 Ų41.84%0.03725%0.245CC..Hα-helixtrans-60.8-37.5-178.3-72.1168.1000112.3E173 T181 M206 T210 L211 L216E173-L177 WeakPolarHBondContact O-CB 3.4Å; E173-L177 WeakPolarHBondContact O-CD1 3.49Å; E173-L177 WeakPolarHBondContact O-CG 3.46Å; E173-L177 PolarHBondContact O-N 3.38Å; L177-T181 WeakPolarHBondContact O-CB 3.47Å; L177-T181 PolarHBondContact O-N 2.94Å; L177-T181 PolarHBondContact O-OG1 2.9Å; L177-M206 HydrophobicContact CD1-CE 4.42Å; L177-M206 HydrophobicContact CD1-SD 3.68Å; L177-M206 HydrophobicContact CD2-SD 3.95Å; L177-M206 HydrophobicContact CG-CE 4.12Å; L177-M206 HydrophobicContact CG-SD 3.83Å; L177-T210 HydrophobicContact CD1-CG2 3.85Å; L177-L211 HydrophobicContact CD2-CD2 4.24Å; L177-L216 HydrophobicContact CD2-CD2 3.86Å
178S97.2Very high96.7Very high78 Ų7841.4 Ų41.455%0.54524%0.236SC..Hα-helixtrans-62.5-48178-174.30000111.5Q174 L175 F176 K182Q174-S178 WeakPolarHBondContact O-CB 3.3Å; Q174-S178 PolarHBondContact O-N 3.14Å; L175-S178 PolarHBondContact O-N 3.16Å; F176-S178 VanDerWaalsContact C-N 3.3Å; F176-S178 PolarHBondContact O-N 2.83Å; S178-K182 VanDerWaalsContact O-CB 3.27Å; S178-K182 WeakPolarHBondContact O-CB 3.31Å; S178-K182 PolarHBondContact O-N 3.08Å
179H98.4Very high97.1Very high5 Ų541.9 Ų41.92%0.02323%0.228CC..Hα-helixtrans-63-54.2179.2179.779.3000112T91 F92 P119 L175 F176 T181 K182 V183T91-H179 PolarHBondContact O-NE2 2.9Å; F92-H179 HydrophobicContact CD1-CB 4.36Å; F92-H179 AromaticContact CD1-CD2 3.32Å; F92-H179 WeakPolarHBondContact CD1-CD2 3.28Å; F92-H179 AromaticContact CD2-CD2 3.72Å; F92-H179 AromaticContact CD2-NE2 3.79Å; F92-H179 HydrophobicContact CE1-CB 3.75Å; F92-H179 AromaticContact CE1-CD2 3.59Å; F92-H179 AromaticContact CE1-CG 3.87Å; F92-H179 AromaticContact CE2-CD2 3.97Å; F92-H179 AromaticContact CG-CD2 3.36Å; F92-H179 WeakPolarHBondContact CG-CD2 3.34Å; F92-H179 AromaticContact CG-NE2 3.65Å; F92-H179 HydrophobicContact CZ-CB 3.83Å; F92-H179 AromaticContact CZ-CD2 3.91Å; F92-H179 AromaticContact CZ-CG 3.88Å; P119-H179 HydrophobicContact CB-CB 4.07Å; L175-H179 PolarHBondContact O-N 3.12Å; L175-H179 VanDerWaalsContact O-N 3.17Å; F176-H179 PolarHBondContact O-N 3.33Å; H179-T181 VanDerWaalsContact C-N 3.31Å; H179-T181 PolarHBondContact O-N 2.81Å; H179-K182 WeakPolarHBondContact O-CB 3.19Å; H179-K182 PolarHBondContact O-N 3.42Å; H179-K182 VanDerWaalsContact O-N 3.1Å; H179-V183 PolarHBondContact O-N 3.41Å
180V98.6Very high97.7Very high0 Ų041.9 Ų41.90%022%0.223CC..Hα-helixtrans-66.4-34-176.8-58.90000112.2F92 A149 F176 K182 V183 A184 M198 L216F92-V180 HydrophobicContact CD1-CG1 4.03Å; A149-V180 HydrophobicContact CB-CG1 3.91Å; F176-V180 HydrophobicContact CD1-CG2 4.35Å; F176-V180 HydrophobicContact CD2-CG1 4.48Å; F176-V180 HydrophobicContact CE1-CG1 4.16Å; F176-V180 HydrophobicContact CE1-CG2 4.01Å; F176-V180 HydrophobicContact CE2-CG1 3.93Å; F176-V180 HydrophobicContact CZ-CG1 3.75Å; F176-V180 HydrophobicContact CZ-CG2 4.43Å; F176-V180 WeakPolarHBondContact O-CG2 3.43Å; F176-V180 PolarHBondContact O-N 2.76Å; F176-V180 VanDerWaalsContact O-N 3.11Å; V180-K182 VanDerWaalsContact C-N 3.34Å; V180-V183 PolarHBondContact O-N 2.9Å; V180-A184 VanDerWaalsContact O-CB 3.25Å; V180-A184 WeakPolarHBondContact O-CB 3.35Å; V180-A184 PolarHBondContact O-N 3.08Å; V180-M198 HydrophobicContact CB-SD 3.79Å; V180-M198 HydrophobicContact CG1-SD 3.91Å; V180-M198 HydrophobicContact CG2-CE 4.46Å; V180-M198 HydrophobicContact CG2-SD 4.03Å; V180-L216 HydrophobicContact CG2-CD1 3.98Å; V180-L216 HydrophobicContact CG2-CD2 3.93Å
181T98.6Very high97.9Very high8 Ų841.6 Ų41.65%0.04922%0.219CC..Hα-helixtrans-65.8-39.1173.9-60.80000111.2L177 H179 A184 K185 L219L177-T181 WeakPolarHBondContact O-CB 3.47Å; L177-T181 PolarHBondContact O-N 2.94Å; L177-T181 PolarHBondContact O-OG1 2.9Å; H179-T181 VanDerWaalsContact C-N 3.31Å; H179-T181 PolarHBondContact O-N 2.81Å; T181-A184 PolarHBondContact O-N 3.03Å; T181-K185 HydrophobicContact CG2-CD 4.07Å; T181-K185 HydrophobicContact CG2-CG 4.41Å; T181-K185 WeakPolarHBondContact O-CB 3.4Å; T181-K185 VanDerWaalsContact O-CG 3.28Å; T181-K185 WeakPolarHBondContact O-CG 3.36Å; T181-K185 PolarHBondContact O-N 2.98Å; T181-L219 HydrophobicContact CG2-CD1 4.18Å
182K98.5Very high98Very high62 Ų6244.1 Ų44.127%0.2723%0.234SC..Hα-helixtrans-65-46.1177.5-178.1179.7173.3-166.70111.5E122 V125 S178 H179 V180 K185 A186E122-K182 IonicContact OE1-NZ 2.63Å; E122-K182 PolarHBondContact OE1-NZ 3.38Å; E122-K182 WeakPolarHBondContact OE2-CE 3.31Å; E122-K182 IonicContact OE2-NZ 2.65Å; E122-K182 PolarHBondContact OE2-NZ 3.47Å; V125-K182 HydrophobicContact CG2-CD 4.15Å; S178-K182 VanDerWaalsContact O-CB 3.27Å; S178-K182 WeakPolarHBondContact O-CB 3.31Å; S178-K182 PolarHBondContact O-N 3.08Å; H179-K182 WeakPolarHBondContact O-CB 3.19Å; H179-K182 PolarHBondContact O-N 3.42Å; H179-K182 VanDerWaalsContact O-N 3.1Å; V180-K182 VanDerWaalsContact C-N 3.34Å; K182-K185 PolarHBondContact O-N 2.88Å; K182-A186 WeakPolarHBondContact O-CB 3.35Å; K182-A186 PolarHBondContact O-N 2.97Å
183V98.7Very high98Very high0 Ų048.7 Ų48.70%026%0.257CS..Hα-helixtrans-60.8-48.3174.3174.50000110.5T91 V128 L132 H179 V180 K185 A186 I187T91-V183 HydrophobicContact CG2-CG1 4.4Å; V128-V183 HydrophobicContact CG1-CG1 4.08Å; V128-V183 HydrophobicContact CG1-CG2 4.29Å; L132-V183 HydrophobicContact CD1-CG1 4.3Å; H179-V183 PolarHBondContact O-N 3.41Å; V180-V183 PolarHBondContact O-N 2.9Å; V183-K185 VanDerWaalsContact C-N 3.35Å; V183-K185 PolarHBondContact O-N 3.42Å; V183-A186 PolarHBondContact O-N 2.95Å; V183-I187 HydrophobicContact CG1-CD1 3.95Å; V183-I187 HydrophobicContact CG1-CG1 4.49Å; V183-I187 WeakPolarHBondContact O-CG1 2.95Å; V183-I187 PolarHBondContact O-N 2.86Å
184A98.7Very high98Very high0 Ų045.1 Ų45.10%024%0.24CC..Hα-helixtrans-61.4-40.4-179.800000112.8V180 T181 I187 K188 I196 L216 L219 V220V180-A184 VanDerWaalsContact O-CB 3.25Å; V180-A184 WeakPolarHBondContact O-CB 3.35Å; V180-A184 PolarHBondContact O-N 3.08Å; T181-A184 PolarHBondContact O-N 3.03Å; A184-I187 PolarHBondContact O-N 3.41Å; A184-K188 WeakPolarHBondContact O-CG 3.43Å; A184-K188 PolarHBondContact O-N 2.83Å; A184-I196 HydrophobicContact CB-CD1 3.99Å; A184-L216 HydrophobicContact CB-CD1 4.43Å; A184-L219 HydrophobicContact CB-CB 4.04Å; A184-L219 HydrophobicContact CB-CD1 4.16Å; A184-V220 HydrophobicContact CB-CG1 3.9Å
185K98.6Very high98.1Very high100 Ų10043.9 Ų43.944%0.43524%0.236SC..Hα-helixtrans-63.5-45.3174-76.2176.4179.5173.90111.9T181 K182 V183 I187 K188 E189 L219T181-K185 HydrophobicContact CG2-CD 4.07Å; T181-K185 HydrophobicContact CG2-CG 4.41Å; T181-K185 WeakPolarHBondContact O-CB 3.4Å; T181-K185 VanDerWaalsContact O-CG 3.28Å; T181-K185 WeakPolarHBondContact O-CG 3.36Å; T181-K185 PolarHBondContact O-N 2.98Å; K182-K185 PolarHBondContact O-N 2.88Å; V183-K185 VanDerWaalsContact C-N 3.35Å; V183-K185 PolarHBondContact O-N 3.42Å; K185-I187 VanDerWaalsContact C-N 3.3Å; K185-I187 PolarHBondContact O-N 3.39Å; K185-K188 CarbonylContact O-C 3.48Å; K185-K188 PolarHBondContact O-N 2.79Å; K185-K188 VanDerWaalsContact O-N 3.1Å; K185-E189 WeakPolarHBondContact O-CG 3.33Å; K185-E189 PolarHBondContact O-N 2.77Å; K185-L219 HydrophobicContact CG-CD1 3.67Å
186A98.5Very high98.2Very high23 Ų2343.6 Ų43.619%0.1924%0.235CC..Hα-helixtrans-61.1-39177.200000112.1M129 K182 V183 E189 A190M129-A186 HydrophobicContact CE-CB 3.92Å; M129-A186 HydrophobicContact CG-CB 4.11Å; M129-A186 HydrophobicContact SD-CB 3.61Å; K182-A186 WeakPolarHBondContact O-CB 3.35Å; K182-A186 PolarHBondContact O-N 2.97Å; V183-A186 PolarHBondContact O-N 2.95Å; A186-E189 PolarHBondContact O-N 2.59Å; A186-A190 PolarHBondContact O-N 2.61Å
187I98.7Very high98.3Very high0 Ų043.6 Ų43.60%024%0.235CC..Hα-helixtrans-61.5-45.7172.2-67.8169.4000110.7M129 L132 I147 V183 A184 K185 E189 A190 W191 M194 I196M129-I187 HydrophobicContact CE-CG1 4.19Å; M129-I187 HydrophobicContact SD-CG1 4.08Å; L132-I187 HydrophobicContact CD1-CD1 3.73Å; L132-I187 HydrophobicContact CD1-CG1 3.89Å; I147-I187 HydrophobicContact CG2-CD1 3.54Å; V183-I187 HydrophobicContact CG1-CD1 3.95Å; V183-I187 HydrophobicContact CG1-CG1 4.49Å; V183-I187 WeakPolarHBondContact O-CG1 2.95Å; V183-I187 PolarHBondContact O-N 2.86Å; A184-I187 PolarHBondContact O-N 3.41Å; K185-I187 VanDerWaalsContact C-N 3.3Å; K185-I187 PolarHBondContact O-N 3.39Å; I187-E189 VanDerWaalsContact C-N 3.31Å; I187-E189 PolarHBondContact O-N 3.25Å; I187-A190 PolarHBondContact O-N 3.19Å; I187-W191 HydrophobicContact CB-CE3 4.44Å; I187-W191 HydrophobicContact CG1-CZ3 4.42Å; I187-W191 HydrophobicContact CG2-CE3 3.95Å; I187-W191 HydrophobicContact CG2-CZ3 4.46Å; I187-W191 CarbonylContact O-C 3.58Å; I187-W191 WeakPolarHBondContact O-CA 3.12Å; I187-W191 PolarHBondContact O-N 3.28Å; I187-M194 HydrophobicContact CG2-CB 4.27Å; I187-M194 HydrophobicContact CG2-CG 4.09Å; I187-I196 HydrophobicContact CB-CD1 3.82Å; I187-I196 HydrophobicContact CD1-CD1 4.25Å; I187-I196 HydrophobicContact CG2-CD1 3.59Å; I187-I196 HydrophobicContact CG2-CG1 3.92Å
188K98.3Very high98.3Very high53 Ų5343.2 Ų43.223%0.2323%0.233CC..Hα-helixtrans-66.8-30.8178-71.2-60.8-165171.30113.3A184 K185 W191 P192 M194 I196 L219A184-K188 WeakPolarHBondContact O-CG 3.43Å; A184-K188 PolarHBondContact O-N 2.83Å; K185-K188 CarbonylContact O-C 3.48Å; K185-K188 PolarHBondContact O-N 2.79Å; K185-K188 VanDerWaalsContact O-N 3.1Å; K188-W191 CarbonylContact O-C 3.58Å; K188-P192 WeakPolarHBondContact O-CA 3.3Å; K188-M194 WeakPolarHBondContact CE-O 3.37Å; K188-M194 PolarHBondContact NZ-O 2.78Å; K188-I196 HydrophobicContact CD-CD1 4.36Å; K188-I196 HydrophobicContact CG-CD1 4.17Å; K188-L219 HydrophobicContact CG-CD2 4.11Å
189E98.3Very high98.4Very high159 Ų15939.6 Ų39.674%0.74321%0.207SC*.Hα-helixtrans-69.4-42.2174-73.8171.6-167.500111.4K185 A186 I187K185-E189 WeakPolarHBondContact O-CG 3.33Å; K185-E189 PolarHBondContact O-N 2.77Å; A186-E189 PolarHBondContact O-N 2.59Å; I187-E189 VanDerWaalsContact C-N 3.31Å; I187-E189 PolarHBondContact O-N 3.25Å
190A98Very high98.4Very high55 Ų5539.3 Ų39.346%0.45521%0.206SC..Hα-helixtrans-75.5-38.8178.400000113.1A186 I187A186-A190 PolarHBondContact O-N 2.61Å; I187-A190 PolarHBondContact O-N 3.19Å
191W98.1Very high98.3Very high63 Ų6340.2 Ų40.224%0.23921%0.211CC..  trans-137.282.3-176.4-51.7-68.7000110.5M129 L132 R133 V136 I187 K188 D193 M194M129-W191 HydrophobicContact CE-CZ3 4.08Å; L132-W191 HydrophobicContact CB-CH2 4.25Å; L132-W191 HydrophobicContact CB-CZ3 4.32Å; R133-W191 HydrophobicContact CB-CH2 4.32Å; R133-W191 HydrophobicContact CB-CZ2 4.39Å; R133-W191 HydrophobicContact CG-CZ2 4.49Å; V136-W191 HydrophobicContact CB-CH2 4.2Å; V136-W191 HydrophobicContact CB-CZ2 3.78Å; V136-W191 HydrophobicContact CG1-CD2 4.27Å; V136-W191 HydrophobicContact CG1-CZ2 3.88Å; V136-W191 HydrophobicContact CG2-CD2 4.38Å; V136-W191 HydrophobicContact CG2-CE3 4.35Å; V136-W191 HydrophobicContact CG2-CH2 3.81Å; V136-W191 HydrophobicContact CG2-CZ2 3.85Å; V136-W191 HydrophobicContact CG2-CZ3 4.07Å; I187-W191 HydrophobicContact CB-CE3 4.44Å; I187-W191 HydrophobicContact CG1-CZ3 4.42Å; I187-W191 HydrophobicContact CG2-CE3 3.95Å; I187-W191 HydrophobicContact CG2-CZ3 4.46Å; I187-W191 CarbonylContact O-C 3.58Å; I187-W191 WeakPolarHBondContact O-CA 3.12Å; I187-W191 PolarHBondContact O-N 3.28Å; K188-W191 CarbonylContact O-C 3.58Å; W191-D193 VanDerWaalsContact C-N 3.28Å; W191-D193 PolarHBondContact O-N 2.96Å; W191-D193 VanDerWaalsContact O-N 3.15Å; W191-M194 HydrophobicContact CB-CB 3.78Å; W191-M194 HydrophobicContact CB-CE 4.23Å; W191-M194 HydrophobicContact CG-CE 4.33Å; W191-M194 WeakPolarHBondContact O-CB 3.1Å; W191-M194 PolarHBondContact O-N 2.95Å
192P97.1Very high98.3Very high88 Ų8841.8 Ų41.857%0.57122%0.218SC*.THydrogen-bonded Turntrans-54-38.3-172.3-30.236.6000115.6K188 M194K188-P192 WeakPolarHBondContact O-CA 3.3Å; P192-M194 VanDerWaalsContact C-N 3.34Å
193D96.9Very high98.3Very high151 Ų15138.9 Ų38.981%0.80721%0.205SC*.THydrogen-bonded Turntrans-87.60.1-176.6-60-45.2000113.7W191 N195W191-D193 VanDerWaalsContact C-N 3.28Å; W191-D193 PolarHBondContact O-N 2.96Å; W191-D193 VanDerWaalsContact O-N 3.15Å; D193-N195 PolarHBondContact O-N 2.9Å
194M98.1Very high98.3Very high10 Ų1042.3 Ų42.35%0.04922%0.218CC..  trans-70.1124.8-177.1-171.564.772.100111V136 L142 T144 V145 I187 K188 W191 P192V136-M194 HydrophobicContact CG1-CE 4.26Å; V136-M194 HydrophobicContact CG2-CE 4.35Å; L142-M194 HydrophobicContact CB-CE 4.28Å; L142-M194 HydrophobicContact CD2-CE 3.83Å; L142-M194 HydrophobicContact CD2-SD 4.24Å; L142-M194 HydrophobicContact CG-CE 3.92Å; L142-M194 HydrophobicContact CG-SD 4.02Å; T144-M194 PolarHBondContact N-SD 3.29Å; T144-M194 VanDerWaalsContact N-SD 3.44Å; V145-M194 HydrophobicContact CB-SD 4.41Å; V145-M194 HydrophobicContact CG1-CG 3.86Å; V145-M194 HydrophobicContact CG1-SD 4.32Å; I187-M194 HydrophobicContact CG2-CB 4.27Å; I187-M194 HydrophobicContact CG2-CG 4.09Å; K188-M194 WeakPolarHBondContact CE-O 3.37Å; K188-M194 PolarHBondContact NZ-O 2.78Å; W191-M194 HydrophobicContact CB-CB 3.78Å; W191-M194 HydrophobicContact CB-CE 4.23Å; W191-M194 HydrophobicContact CG-CE 4.33Å; W191-M194 WeakPolarHBondContact O-CB 3.1Å; W191-M194 PolarHBondContact O-N 2.95Å; P192-M194 VanDerWaalsContact C-N 3.34Å
195N98.4Very high98.2Very high52 Ų5246.1 Ų46.128%0.27826%0.257SS..EExtended strand (participates in β ladder)trans-78.1142.1167.8-58.9-72.6000109.6R143 T144 V145 D193R143-N195 WeakPolarHBondContact O-CB 3.24Å; R143-N195 PolarHBondContact O-N 2.9Å; R143-N195 PolarHBondContact O-ND2 2.65Å; T144-N195 CarbonylContact C-O 3.57Å; T144-N195 VanDerWaalsContact CA-O 3.28Å; T144-N195 WeakPolarHBondContact CA-O 3.2Å; T144-N195 HydrophobicContact CG2-CB 4.06Å; V145-N195 PolarHBondContact N-O 2.91Å; D193-N195 PolarHBondContact O-N 2.9Å
196I98.8Very high98.1Very high1 Ų141.8 Ų41.81%0.00524%0.239CC..EExtended strand (participates in β ladder)trans-121.3117.4-176-52.1177000107.6V145 I147 A184 I187 K188 V220 Q221V145-I196 CarbonylContact O-C 3.59Å; V145-I196 WeakPolarHBondContact O-CA 3.22Å; I147-I196 HydrophobicContact CB-CG2 4.45Å; I147-I196 HydrophobicContact CD1-CG2 3.91Å; I147-I196 HydrophobicContact CG1-CG2 3.95Å; I147-I196 HydrophobicContact CG2-CG2 3.7Å; A184-I196 HydrophobicContact CB-CD1 3.99Å; I187-I196 HydrophobicContact CB-CD1 3.82Å; I187-I196 HydrophobicContact CD1-CD1 4.25Å; I187-I196 HydrophobicContact CG2-CD1 3.59Å; I187-I196 HydrophobicContact CG2-CG1 3.92Å; K188-I196 HydrophobicContact CD-CD1 4.36Å; K188-I196 HydrophobicContact CG-CD1 4.17Å; I196-V220 HydrophobicContact CB-CG1 4.18Å; I196-V220 HydrophobicContact CG2-CG1 3.9Å; I196-V220 CarbonylContact O-C 3.34Å; I196-V220 VanDerWaalsContact O-CA 3.3Å; I196-V220 WeakPolarHBondContact O-CA 3.27Å; I196-Q221 PolarHBondContact O-N 2.9Å
197I98.9Very high98.1Very high0 Ų043.4 Ų43.40%025%0.248CC..EExtended strand (participates in β ladder)trans-98143.5171.1-52.4176.5000108.3I86 T144 V145 H146 I147 Q221 M223 W252I86-I197 HydrophobicContact CD1-CD1 4.46Å; T144-I197 HydrophobicContact CG2-CD1 3.54Å; T144-I197 HydrophobicContact CG2-CG1 3.69Å; V145-I197 PolarHBondContact O-N 2.83Å; H146-I197 CarbonylContact C-O 3.56Å; H146-I197 WeakPolarHBondContact CA-O 3.15Å; H146-I197 HydrophobicContact CB-CB 4.21Å; H146-I197 WeakPolarHBondContact CD2-CG2 3.49Å; H146-I197 WeakPolarHBondContact NE2-CG2 3.48Å; I147-I197 WeakPolarHBondContact CG1-O 3.49Å; I147-I197 PolarHBondContact N-O 2.9Å; I197-Q221 WeakPolarHBondContact CA-O 3.22Å; I197-Q221 HydrophobicContact CG1-CB 4.48Å; I197-Q221 WeakPolarHBondContact CG2-O 3.25Å; I197-M223 HydrophobicContact CD1-CE 4.23Å; I197-M223 HydrophobicContact CG2-CB 3.66Å; I197-M223 HydrophobicContact CG2-CE 3.85Å; I197-M223 HydrophobicContact CG2-SD 4.46Å; I197-W252 HydrophobicContact CD1-CD2 4.14Å; I197-W252 HydrophobicContact CD1-CG 4.48Å; I197-W252 HydrophobicContact CD1-CZ2 3.84Å
198M98.7Very high98Very high0 Ų047.1 Ų47.10%027%0.266CS..EExtended strand (participates in β ladder)trans-142.8144.3178-171.1-177.17700109.5I147 G148 A149 F176 V180 M203 L216 Q221 P222 M223I147-M198 HydrophobicContact CD1-CB 4.31Å; I147-M198 HydrophobicContact CD1-CG 4.13Å; I147-M198 HydrophobicContact CD1-SD 4.11Å; I147-M198 HydrophobicContact CG1-CB 3.96Å; I147-M198 HydrophobicContact CG1-CG 3.95Å; G148-M198 VanDerWaalsContact O-CG 3.32Å; G148-M198 WeakPolarHBondContact O-CG 3.47Å; A149-M198 HydrophobicContact CB-CG 4.09Å; A149-M198 HydrophobicContact CB-SD 4.29Å; F176-M198 HydrophobicContact CE1-CE 4.3Å; F176-M198 HydrophobicContact CZ-CE 4.36Å; V180-M198 HydrophobicContact CB-SD 3.79Å; V180-M198 HydrophobicContact CG1-SD 3.91Å; V180-M198 HydrophobicContact CG2-CE 4.46Å; V180-M198 HydrophobicContact CG2-SD 4.03Å; M198-M203 HydrophobicContact CE-CE 3.5Å; M198-M203 VanDerWaalsContact CE-CE 3.5Å; M198-M203 HydrophobicContact CE-CG 4.41Å; M198-M203 HydrophobicContact CE-SD 3.69Å; M198-L216 HydrophobicContact CE-CD2 3.91Å; M198-Q221 PolarHBondContact N-O 3.31Å; M198-P222 CarbonylContact O-C 3.4Å; M198-P222 WeakPolarHBondContact O-CA 3.46Å; M198-M223 PolarHBondContact O-N 2.93Å
199W98.8Very high97.9Very high1 Ų150.3 Ų50.30%0.00429%0.286CS..EExtended strand (participates in β ladder)trans-63.7149.2173.5-63.2126.6000111.4L42 L88 H146 G148 D150 D201 M223 W225 A254 T299 W301L42-W199 HydrophobicContact CD2-CH2 4.37Å; L88-W199 HydrophobicContact CD1-CZ2 3.69Å; H146-W199 AromaticContact CE1-CD1 3.52Å; H146-W199 AromaticContact CE1-CD2 3.48Å; H146-W199 VanDerWaalsContact CE1-CD2 3.48Å; H146-W199 AromaticContact CE1-CE2 3.43Å; H146-W199 VanDerWaalsContact CE1-CE2 3.43Å; H146-W199 AromaticContact CE1-CG 3.57Å; H146-W199 AromaticContact CE1-NE1 3.47Å; H146-W199 PolarHBondContact CE1-NE1 2.81Å; H146-W199 AromaticContact NE2-CD2 3.61Å; H146-W199 AromaticContact NE2-CE2 3.73Å; H146-W199 AromaticContact NE2-CE3 3.85Å; G148-W199 PolarHBondContact O-N 3.01Å; G148-W199 VanDerWaalsContact O-N 3.14Å; D150-W199 HydrophobicContact CB-CB 3.77Å; D150-W199 VanDerWaalsContact CB-CD1 3.5Å; D150-W199 HydrophobicContact CB-CG 3.87Å; W199-D201 WeakPolarHBondContact CB-OD1 3.43Å; W199-M223 HydrophobicContact CE3-CB 3.94Å; W199-M223 HydrophobicContact CE3-CG 3.86Å; W199-M223 HydrophobicContact CE3-SD 4Å; W199-M223 HydrophobicContact CH2-CG 4.46Å; W199-M223 HydrophobicContact CH2-SD 3.63Å; W199-M223 HydrophobicContact CZ3-CB 4.11Å; W199-M223 HydrophobicContact CZ3-CG 3.51Å; W199-M223 HydrophobicContact CZ3-SD 3.25Å; W199-M223 WeakPolarHBondContact CZ3-SD 3.47Å; W199-W225 HydrophobicContact CE3-CB 4.22Å; W199-W225 AromaticContact CE3-CD1 3.65Å; W199-W225 HydrophobicContact CE3-CG 4.27Å; W199-W225 HydrophobicContact CZ3-CB 4.07Å; W199-A254 HydrophobicContact CH2-CB 4.16Å; W199-A254 HydrophobicContact CZ3-CB 3.63Å; W199-T299 HydrophobicContact CH2-CG2 4.2Å; W199-W301 AromaticContact CZ2-CH2 3.98Å; W199-W301 HydrophobicContact CZ2-CH2 3.98Å; W199-W301 HydrophobicContact CZ2-CZ2 4.12Å
200D98.5Very high97.8Very high0 Ų045.2 Ų45.20%027%0.265CS..SBendtrans-92.4-18.6-17194.1-70.3000115.2M202 M203 R204 P222 M223 L224 Y243D200-M202 VanDerWaalsContact C-N 3.33Å; D200-M202 PolarHBondContact O-N 3.49Å; D200-M203 HydrophobicContact CB-CE 4.45Å; D200-M203 WeakPolarHBondContact O-CA 3.42Å; D200-M203 WeakPolarHBondContact O-CB 3.46Å; D200-M203 PolarHBondContact O-N 3.21Å; D200-R204 IonicContact OD1-CZ 2.88Å; D200-R204 IonicContact OD1-NE 2.8Å; D200-R204 PolarHBondContact OD1-NE 2.82Å; D200-R204 IonicContact OD1-NH2 3.19Å; D200-R204 PolarHBondContact OD1-NH2 3.03Å; D200-R204 VanDerWaalsContact OD2-CG 3.26Å; D200-R204 WeakPolarHBondContact OD2-CG 3.34Å; D200-R204 IonicContact OD2-CZ 2.81Å; D200-R204 IonicContact OD2-NE 2.81Å; D200-R204 PolarHBondContact OD2-NE 3.21Å; D200-R204 IonicContact OD2-NH2 3.4Å; D200-P222 HydrophobicContact CB-CB 4.45Å; D200-M223 PolarHBondContact N-O 2.88Å; D200-M223 VanDerWaalsContact N-O 3.1Å; D200-L224 HydrophobicContact CB-CB 4.39Å; D200-L224 VanDerWaalsContact OD1-CA 3.31Å; D200-L224 WeakPolarHBondContact OD1-CA 3.48Å; D200-L224 WeakPolarHBondContact OD1-CG 3.43Å; D200-Y243 HydrophobicContact CB-CE2 3.81Å; D200-Y243 PolarHBondContact O-OH 2.8Å; D200-Y243 WeakPolarHBondContact OD2-CE2 3.03Å; D200-Y243 PolarHBondContact OD2-OH 2.78Å
201D98.4Very high97.8Very high19 Ų1942.6 Ų42.610%0.10224%0.244CC..G310 helixtrans-57.2-43.9-159.251.6-72.5000113D150 E151 W199 M203 R204 W225D150-D201 VanDerWaalsContact CB-OD1 3.29Å; D150-D201 WeakPolarHBondContact CB-OD1 3.2Å; E151-D201 PolarHBondContact N-OD2 3.43Å; W199-D201 WeakPolarHBondContact CB-OD1 3.43Å; D201-M203 PolarHBondContact O-N 2.95Å; D201-M203 VanDerWaalsContact O-N 3.16Å; D201-R204 WeakPolarHBondContact O-CB 3.37Å; D201-R204 WeakPolarHBondContact O-CG 3.08Å; D201-R204 PolarHBondContact O-N 2.95Å; D201-R204 VanDerWaalsContact O-N 3.14Å; D201-W225 HydrophobicContact CB-CZ2 3.83Å; D201-W225 PolarHBondContact OD1-NE1 3.04Å
202M98.3Very high97.7Very high41 Ų4144.8 Ų44.820%0.20226%0.255CS..G310 helixtrans-63.7-19.9177.2-62.8-56.3-60.300113.3V152 F176 D200 M206V152-M202 HydrophobicContact CB-CE 3.89Å; V152-M202 HydrophobicContact CB-SD 4.16Å; V152-M202 HydrophobicContact CG2-CE 4.49Å; V152-M202 HydrophobicContact CG2-CG 4.15Å; V152-M202 HydrophobicContact CG2-SD 4.38Å; V152-M202 PolarHBondContact N-SD 2.76Å; V152-M202 VanDerWaalsContact N-SD 3.38Å; F176-M202 HydrophobicContact CD1-CB 4.1Å; F176-M202 HydrophobicContact CD2-CB 3.82Å; F176-M202 HydrophobicContact CD2-CE 4.25Å; F176-M202 HydrophobicContact CD2-CG 4.03Å; F176-M202 HydrophobicContact CE1-CB 3.71Å; F176-M202 HydrophobicContact CE2-CB 3.41Å; F176-M202 VanDerWaalsContact CE2-CB 3.41Å; F176-M202 HydrophobicContact CE2-CG 3.52Å; F176-M202 HydrophobicContact CG-CB 4.16Å; F176-M202 HydrophobicContact CZ-CB 3.36Å; F176-M202 HydrophobicContact CZ-CG 3.9Å; D200-M202 VanDerWaalsContact C-N 3.33Å; D200-M202 PolarHBondContact O-N 3.49Å; M202-M206 WeakPolarHBondContact O-CE 3.36Å
203M98.2Very high97.6Very high0 Ų044.8 Ų44.80%026%0.262CS..G310 helixtrans-93.2-5178.4-61.9-173.9-67.900114.1F176 M198 D200 D201 G205 M206 L211 L216 P222 K242 Y243 M248F176-M203 HydrophobicContact CE1-CG 4.04Å; M198-M203 HydrophobicContact CE-CE 3.5Å; M198-M203 VanDerWaalsContact CE-CE 3.5Å; M198-M203 HydrophobicContact CE-CG 4.41Å; M198-M203 HydrophobicContact CE-SD 3.69Å; D200-M203 HydrophobicContact CB-CE 4.45Å; D200-M203 WeakPolarHBondContact O-CA 3.42Å; D200-M203 WeakPolarHBondContact O-CB 3.46Å; D200-M203 PolarHBondContact O-N 3.21Å; D201-M203 PolarHBondContact O-N 2.95Å; D201-M203 VanDerWaalsContact O-N 3.16Å; M203-G205 PolarHBondContact O-N 2.89Å; M203-M206 HydrophobicContact CB-SD 4.24Å; M203-M206 HydrophobicContact CG-CE 4.44Å; M203-M206 HydrophobicContact CG-SD 4.13Å; M203-M206 WeakPolarHBondContact O-CB 3.15Å; M203-M206 PolarHBondContact O-N 3.1Å; M203-M206 VanDerWaalsContact O-N 3.12Å; M203-L211 HydrophobicContact CB-CD2 4.18Å; M203-L211 HydrophobicContact CG-CD2 4.14Å; M203-L211 HydrophobicContact SD-CD2 3.92Å; M203-L216 HydrophobicContact SD-CD2 3.87Å; M203-P222 HydrophobicContact CE-CB 4.09Å; M203-P222 HydrophobicContact CE-CG 4.08Å; M203-K242 PolarHBondContact O-NZ 3.35Å; M203-Y243 HydrophobicContact CB-CE1 3.95Å; M203-M248 HydrophobicContact SD-CE 4.37Å
204R97.9Very high97.5Very high73 Ų7338.8 Ų38.828%0.27523%0.232SC..THydrogen-bonded Turntrans-61.7-39.7-172.4-71.1176.9179.9174.68.8113.4D200 D201 M206 W225 L239 K242D200-R204 IonicContact OD1-CZ 2.88Å; D200-R204 IonicContact OD1-NE 2.8Å; D200-R204 PolarHBondContact OD1-NE 2.82Å; D200-R204 IonicContact OD1-NH2 3.19Å; D200-R204 PolarHBondContact OD1-NH2 3.03Å; D200-R204 VanDerWaalsContact OD2-CG 3.26Å; D200-R204 WeakPolarHBondContact OD2-CG 3.34Å; D200-R204 IonicContact OD2-CZ 2.81Å; D200-R204 IonicContact OD2-NE 2.81Å; D200-R204 PolarHBondContact OD2-NE 3.21Å; D200-R204 IonicContact OD2-NH2 3.4Å; D201-R204 WeakPolarHBondContact O-CB 3.37Å; D201-R204 WeakPolarHBondContact O-CG 3.08Å; D201-R204 PolarHBondContact O-N 2.95Å; D201-R204 VanDerWaalsContact O-N 3.14Å; R204-M206 VanDerWaalsContact C-N 3.33Å; R204-W225 PolarHBondContact NH2-O 2.99Å; R204-L239 HydrophobicContact CB-CD2 4.17Å; R204-L239 HydrophobicContact CG-CD1 4.14Å; R204-L239 HydrophobicContact CG-CD2 4.15Å; R204-K242 PolarHBondContact O-NZ 2.85Å
205G96.8Very high97.4Very high79 Ų7940 Ų4081%0.81425%0.247SC*.THydrogen-bonded Turntrans-77.2-13.317800000114.9M203M203-G205 PolarHBondContact O-N 2.89Å
206M97.6Very high97.4Very high9 Ų937.5 Ų37.54%0.04423%0.234CC..SBendtrans-79143.2-173.1-55.8-177.9-17300112.3E173 F176 L177 M202 M203 R204 L211 K242E173-M206 HydrophobicContact CB-CE 3.75Å; E173-M206 HydrophobicContact CB-CG 4.11Å; E173-M206 HydrophobicContact CB-SD 4.16Å; E173-M206 HydrophobicContact CG-CE 4.06Å; E173-M206 HydrophobicContact CG-CG 3.88Å; F176-M206 HydrophobicContact CB-CE 4.33Å; F176-M206 HydrophobicContact CD1-CE 3.65Å; F176-M206 HydrophobicContact CE1-CE 4.42Å; F176-M206 HydrophobicContact CG-CE 4.28Å; L177-M206 HydrophobicContact CD1-CE 4.42Å; L177-M206 HydrophobicContact CD1-SD 3.68Å; L177-M206 HydrophobicContact CD2-SD 3.95Å; L177-M206 HydrophobicContact CG-CE 4.12Å; L177-M206 HydrophobicContact CG-SD 3.83Å; M202-M206 WeakPolarHBondContact O-CE 3.36Å; M203-M206 HydrophobicContact CB-SD 4.24Å; M203-M206 HydrophobicContact CG-CE 4.44Å; M203-M206 HydrophobicContact CG-SD 4.13Å; M203-M206 WeakPolarHBondContact O-CB 3.15Å; M203-M206 PolarHBondContact O-N 3.1Å; M203-M206 VanDerWaalsContact O-N 3.12Å; R204-M206 VanDerWaalsContact C-N 3.33Å; M206-L211 HydrophobicContact CB-CD2 4.05Å; M206-L211 HydrophobicContact CB-CG 4.15Å; M206-L211 HydrophobicContact SD-CD2 3.86Å; M206-K242 WeakPolarHBondContact O-CD 3.4Å; M206-K242 PolarHBondContact O-NZ 2.78Å
207S96.9Very high97.3Very high57 Ų5739.5 Ų39.540%0.39925%0.246SC..  trans-72.5158.2174.784.30000112.1D209 T210 L211S207-D209 VanDerWaalsContact C-N 3.27Å; S207-D209 PolarHBondContact O-N 3.11Å; S207-D209 PolarHBondContact OG-N 3.01Å; S207-T210 WeakPolarHBondContact O-CB 3.35Å; S207-T210 PolarHBondContact O-N 3.36Å; S207-T210 WeakPolarHBondContact OG-CB 3.49Å; S207-T210 PolarHBondContact OG-N 3.39Å; S207-T210 PolarHBondContact OG-OG1 2.67Å; S207-L211 WeakPolarHBondContact O-CG 3.5Å; S207-L211 PolarHBondContact O-N 2.76Å
208Q96.6Very high97.1Very high79 Ų7942.7 Ų42.737%0.36928%0.278SS..Hα-helixtrans-59.4-38.8175.2-66.1-173.816.700112.2L211 K212 K242Q208-L211 PolarHBondContact O-N 3.07Å; Q208-K212 WeakPolarHBondContact O-CG 3.4Å; Q208-K212 PolarHBondContact O-N 3.45Å; Q208-K242 HydrophobicContact CG-CG 3.58Å
209D96.3Very high97Very high120 Ų12044.4 Ų44.464%0.64229%0.287SS*.Hα-helixtrans-68.5-39.1-179.7-67.2-24000111.4S207 L211 K212 A213S207-D209 VanDerWaalsContact C-N 3.27Å; S207-D209 PolarHBondContact O-N 3.11Å; S207-D209 PolarHBondContact OG-N 3.01Å; D209-L211 VanDerWaalsContact C-N 3.33Å; D209-L211 PolarHBondContact O-N 2.67Å; D209-K212 PolarHBondContact O-N 3.31Å; D209-A213 VanDerWaalsContact O-CB 3.32Å; D209-A213 WeakPolarHBondContact O-CB 3.49Å; D209-A213 PolarHBondContact O-N 3.11Å
210T96.6Very high97Very high52 Ų5244.7 Ų44.732%0.31929%0.29SS..Hα-helixtrans-58.4-46.8172.2-53.90000110.8L177 S207 A213 S214L177-T210 HydrophobicContact CD1-CG2 3.85Å; S207-T210 WeakPolarHBondContact O-CB 3.35Å; S207-T210 PolarHBondContact O-N 3.36Å; S207-T210 WeakPolarHBondContact OG-CB 3.49Å; S207-T210 PolarHBondContact OG-N 3.39Å; S207-T210 PolarHBondContact OG-OG1 2.67Å; T210-A213 PolarHBondContact O-N 2.62Å; T210-S214 PolarHBondContact O-N 3.18Å; T210-S214 VanDerWaalsContact O-N 3.14Å
211L97.6Very high97Very high0 Ų045.3 Ų45.30%029%0.292CS..Hα-helixtrans-64.9-44178.5-66.4174.3000111.7L177 M203 M206 S207 Q208 D209 A213 S214 V217 Y243 A246L177-L211 HydrophobicContact CD2-CD2 4.24Å; M203-L211 HydrophobicContact CB-CD2 4.18Å; M203-L211 HydrophobicContact CG-CD2 4.14Å; M203-L211 HydrophobicContact SD-CD2 3.92Å; M206-L211 HydrophobicContact CB-CD2 4.05Å; M206-L211 HydrophobicContact CB-CG 4.15Å; M206-L211 HydrophobicContact SD-CD2 3.86Å; S207-L211 WeakPolarHBondContact O-CG 3.5Å; S207-L211 PolarHBondContact O-N 2.76Å; Q208-L211 PolarHBondContact O-N 3.07Å; D209-L211 VanDerWaalsContact C-N 3.33Å; D209-L211 PolarHBondContact O-N 2.67Å; L211-A213 VanDerWaalsContact C-N 3.33Å; L211-A213 PolarHBondContact O-N 3.28Å; L211-S214 WeakPolarHBondContact O-CB 3.31Å; L211-S214 PolarHBondContact O-N 3.2Å; L211-S214 PolarHBondContact O-OG 3.33Å; L211-V217 WeakPolarHBondContact O-CG2 3.35Å; L211-Y243 HydrophobicContact CD1-CD1 3.85Å; L211-Y243 HydrophobicContact CD1-CE1 4.08Å; L211-A246 HydrophobicContact CB-CB 3.79Å; L211-A246 HydrophobicContact CD1-CB 4.13Å
212K96.1Very high97Very high108 Ų10844.5 Ų44.547%0.4729%0.288SS..Hα-helixtrans-59.5-42.1175.9-75.9174.3-175176.50112.5Q208 D209 S214 G245 A246Q208-K212 WeakPolarHBondContact O-CG 3.4Å; Q208-K212 PolarHBondContact O-N 3.45Å; D209-K212 PolarHBondContact O-N 3.31Å; K212-S214 VanDerWaalsContact C-N 3.28Å; K212-S214 PolarHBondContact O-N 3.25Å; K212-G245 WeakPolarHBondContact CE-O 3.43Å; K212-G245 PolarHBondContact NZ-O 2.98Å; K212-G245 VanDerWaalsContact NZ-O 3.08Å; K212-A246 HydrophobicContact CG-CB 4.39Å; K212-A246 VanDerWaalsContact CG-O 3.29Å; K212-A246 WeakPolarHBondContact CG-O 3.5Å
213A95.2Very high97Very high88 Ų8842.5 Ų42.573%0.72728%0.278SS*.Hα-helixtrans-75.8-14.5-178.300000113.8D209 T210 L211 G215D209-A213 VanDerWaalsContact O-CB 3.32Å; D209-A213 WeakPolarHBondContact O-CB 3.49Å; D209-A213 PolarHBondContact O-N 3.11Å; T210-A213 PolarHBondContact O-N 2.62Å; L211-A213 VanDerWaalsContact C-N 3.33Å; L211-A213 PolarHBondContact O-N 3.28Å; A213-G215 VanDerWaalsContact C-N 3.28Å; A213-G215 PolarHBondContact O-N 2.91Å
214S95.6Very high97Very high26 Ų2642.6 Ų42.618%0.18228%0.279CS..THydrogen-bonded Turntrans-66.5-25.5-174.469.70000114.8T210 L211 K212 L216T210-S214 PolarHBondContact O-N 3.18Å; T210-S214 VanDerWaalsContact O-N 3.14Å; L211-S214 WeakPolarHBondContact O-CB 3.31Å; L211-S214 PolarHBondContact O-N 3.2Å; L211-S214 PolarHBondContact O-OG 3.33Å; K212-S214 VanDerWaalsContact C-N 3.28Å; K212-S214 PolarHBondContact O-N 3.25Å; S214-L216 PolarHBondContact O-N 3.03Å; S214-L216 WeakPolarHBondContact OG-CB 3.26Å; S214-L216 PolarHBondContact OG-N 2.88Å
215G96Very high97.1Very high34 Ų3441.3 Ų41.335%0.35127%0.274SS..SBendtrans74.54.6-168.100000114.5A213 L219A213-G215 VanDerWaalsContact C-N 3.28Å; A213-G215 PolarHBondContact O-N 2.91Å; G215-L219 VanDerWaalsContact O-CD1 3.23Å; G215-L219 WeakPolarHBondContact O-CD1 3.43Å
216L97.2Very high97.1Very high0 Ų039 Ų390%024%0.243CC..  trans-79.5-30.6174.8-171.463.1000112.3L177 V180 A184 M198 M203 S214 G218 L219 V220 M248L177-L216 HydrophobicContact CD2-CD2 3.86Å; V180-L216 HydrophobicContact CG2-CD1 3.98Å; V180-L216 HydrophobicContact CG2-CD2 3.93Å; A184-L216 HydrophobicContact CB-CD1 4.43Å; M198-L216 HydrophobicContact CE-CD2 3.91Å; M203-L216 HydrophobicContact SD-CD2 3.87Å; S214-L216 PolarHBondContact O-N 3.03Å; S214-L216 WeakPolarHBondContact OG-CB 3.26Å; S214-L216 PolarHBondContact OG-N 2.88Å; L216-G218 PolarHBondContact O-N 3.44Å; L216-L219 WeakPolarHBondContact O-CB 3.45Å; L216-L219 PolarHBondContact O-N 2.99Å; L216-V220 HydrophobicContact CD1-CB 4.39Å; L216-V220 HydrophobicContact CD1-CG1 3.63Å; L216-V220 HydrophobicContact CD1-CG2 3.83Å; L216-V220 HydrophobicContact CD2-CG2 4.03Å; L216-V220 HydrophobicContact CG-CG1 4.38Å; L216-V220 HydrophobicContact CG-CG2 3.63Å; L216-M248 HydrophobicContact CB-CE 4.41Å; L216-M248 HydrophobicContact CD2-CE 4.1Å; L216-M248 HydrophobicContact CG-CE 4.15Å
217V96.6Very high97.2Very high44 Ų4440 Ų4027%0.26725%0.247SC..THydrogen-bonded Turntrans-58.4130179.8175.80000110L211 L219 A246 M248L211-V217 WeakPolarHBondContact O-CG2 3.35Å; V217-L219 VanDerWaalsContact C-N 3.28Å; V217-L219 PolarHBondContact O-N 3.28Å; V217-A246 WeakPolarHBondContact CG1-O 2.98Å; V217-A246 WeakPolarHBondContact CG2-O 3.42Å; V217-M248 HydrophobicContact CG1-CG 4.49Å; V217-M248 HydrophobicContact CG2-CE 3.87Å; V217-M248 HydrophobicContact CG2-CG 4.25Å
218G94.8Very high97.2Very high66 Ų6640.2 Ų40.268%0.6825%0.245SC*.THydrogen-bonded Turntrans84.8-9.4-176.300000114.6L216L216-G218 PolarHBondContact O-N 3.44Å
219L97.9Very high97.2Very high36 Ų3638.7 Ų38.719%0.18824%0.242CC..THydrogen-bonded Turntrans-93.1-37.8173.5-58.2179.4000112.4T181 A184 K185 K188 G215 L216 V217T181-L219 HydrophobicContact CG2-CD1 4.18Å; A184-L219 HydrophobicContact CB-CB 4.04Å; A184-L219 HydrophobicContact CB-CD1 4.16Å; K185-L219 HydrophobicContact CG-CD1 3.67Å; K188-L219 HydrophobicContact CG-CD2 4.11Å; G215-L219 VanDerWaalsContact O-CD1 3.23Å; G215-L219 WeakPolarHBondContact O-CD1 3.43Å; L216-L219 WeakPolarHBondContact O-CB 3.45Å; L216-L219 PolarHBondContact O-N 2.99Å; V217-L219 VanDerWaalsContact C-N 3.28Å; V217-L219 PolarHBondContact O-N 3.28Å
220V98.1Very high97.2Very high8 Ų839.2 Ų39.25%0.04825%0.245CC..  trans-123.8158.2-172.8-52.10000113.1A184 I196 L216 M248A184-V220 HydrophobicContact CB-CG1 3.9Å; I196-V220 HydrophobicContact CB-CG1 4.18Å; I196-V220 HydrophobicContact CG2-CG1 3.9Å; I196-V220 CarbonylContact O-C 3.34Å; I196-V220 VanDerWaalsContact O-CA 3.3Å; I196-V220 WeakPolarHBondContact O-CA 3.27Å; L216-V220 HydrophobicContact CD1-CB 4.39Å; L216-V220 HydrophobicContact CD1-CG1 3.63Å; L216-V220 HydrophobicContact CD1-CG2 3.83Å; L216-V220 HydrophobicContact CD2-CG2 4.03Å; L216-V220 HydrophobicContact CG-CG1 4.38Å; L216-V220 HydrophobicContact CG-CG2 3.63Å; V220-M248 HydrophobicContact CG2-CE 4.33Å
221Q98.3Very high97.2Very high13 Ų1336.9 Ų36.96%0.06123%0.231CC..EExtended strand (participates in β ladder)trans-113106.5173.1-59.2-179.1-4.400108.1I196 I197 M198 M223 D250I196-Q221 PolarHBondContact O-N 2.9Å; I197-Q221 WeakPolarHBondContact CA-O 3.22Å; I197-Q221 HydrophobicContact CG1-CB 4.48Å; I197-Q221 WeakPolarHBondContact CG2-O 3.25Å; M198-Q221 PolarHBondContact N-O 3.31Å; Q221-M223 PolarHBondContact O-N 2.95Å; Q221-D250 WeakPolarHBondContact CB-O 3.42Å; Q221-D250 HydrophobicContact CG-CB 3.88Å
222P98.4Very high97.2Very high1 Ų141.1 Ų41.11%0.00625%0.253CS..EExtended strand (participates in β ladder)trans-61.3135.3177-22.430.5000112.6M198 D200 M203 Y243 M248 L251 W252M198-P222 CarbonylContact O-C 3.4Å; M198-P222 WeakPolarHBondContact O-CA 3.46Å; D200-P222 HydrophobicContact CB-CB 4.45Å; M203-P222 HydrophobicContact CE-CB 4.09Å; M203-P222 HydrophobicContact CE-CG 4.08Å; P222-Y243 HydrophobicContact CB-CD2 4.32Å; P222-M248 HydrophobicContact CG-CB 4.19Å; P222-M248 HydrophobicContact CG-CG 4.3Å; P222-M248 HydrophobicContact CG-SD 3.32Å; P222-M248 WeakPolarHBondContact CG-SD 3.43Å; P222-L251 HydrophobicContact CB-CD2 4.1Å; P222-L251 HydrophobicContact CG-CD2 3.91Å; P222-W252 PolarHBondContact O-N 2.88Å
223M98.8Very high97.3Very high0 Ų037 Ų370%024%0.237CC..EExtended strand (participates in β ladder)trans-109.4112.1167.7-173.8174.5-77.800109.5L42 I197 M198 W199 D200 Q221 W252 A254 A297L42-M223 HydrophobicContact CD2-SD 4.48Å; I197-M223 HydrophobicContact CD1-CE 4.23Å; I197-M223 HydrophobicContact CG2-CB 3.66Å; I197-M223 HydrophobicContact CG2-CE 3.85Å; I197-M223 HydrophobicContact CG2-SD 4.46Å; M198-M223 PolarHBondContact O-N 2.93Å; W199-M223 HydrophobicContact CE3-CB 3.94Å; W199-M223 HydrophobicContact CE3-CG 3.86Å; W199-M223 HydrophobicContact CE3-SD 4Å; W199-M223 HydrophobicContact CH2-CG 4.46Å; W199-M223 HydrophobicContact CH2-SD 3.63Å; W199-M223 HydrophobicContact CZ3-CB 4.11Å; W199-M223 HydrophobicContact CZ3-CG 3.51Å; W199-M223 HydrophobicContact CZ3-SD 3.25Å; W199-M223 WeakPolarHBondContact CZ3-SD 3.47Å; D200-M223 PolarHBondContact N-O 2.88Å; D200-M223 VanDerWaalsContact N-O 3.1Å; Q221-M223 PolarHBondContact O-N 2.95Å; M223-W252 WeakPolarHBondContact CA-O 3.43Å; M223-W252 HydrophobicContact CB-CB 3.76Å; M223-W252 HydrophobicContact CE-CB 3.64Å; M223-W252 HydrophobicContact CE-CD2 3.9Å; M223-W252 HydrophobicContact CE-CE3 3.88Å; M223-W252 HydrophobicContact CE-CG 3.84Å; M223-W252 HydrophobicContact CG-CB 3.65Å; M223-W252 HydrophobicContact SD-CB 4.48Å; M223-A254 HydrophobicContact CG-CB 4.04Å; M223-A254 HydrophobicContact SD-CB 4.13Å; M223-A297 HydrophobicContact CE-CB 4.08Å; M223-A297 HydrophobicContact SD-CB 3.92Å
224L98.6Very high97.4Very high2 Ų239 Ų391%0.0124%0.235CC..EExtended strand (participates in β ladder)trans-87.8118.8-178.4-163.2159.6000110D200 T236 L239 L240 Y243 W252 A253 A254 W280D200-L224 HydrophobicContact CB-CB 4.39Å; D200-L224 VanDerWaalsContact OD1-CA 3.31Å; D200-L224 WeakPolarHBondContact OD1-CA 3.48Å; D200-L224 WeakPolarHBondContact OD1-CG 3.43Å; L224-T236 HydrophobicContact CD1-CG2 4.34Å; L224-T236 HydrophobicContact CD2-CG2 3.84Å; L224-L239 HydrophobicContact CD1-CB 3.63Å; L224-L239 HydrophobicContact CD1-CD1 4.14Å; L224-L240 HydrophobicContact CB-CD2 4.02Å; L224-L240 HydrophobicContact CD1-CD2 3.83Å; L224-L240 HydrophobicContact CD1-CG 3.86Å; L224-Y243 HydrophobicContact CD1-CE2 4.15Å; L224-W252 PolarHBondContact N-O 3.2Å; L224-A253 CarbonylContact O-C 3.57Å; L224-A253 WeakPolarHBondContact O-CA 3.25Å; L224-A254 PolarHBondContact O-N 2.79Å; L224-W280 HydrophobicContact CB-CH2 4.32Å; L224-W280 HydrophobicContact CD2-CH2 3.65Å; L224-W280 HydrophobicContact CD2-CZ2 4.15Å; L224-W280 WeakPolarHBondContact O-CH2 3.46Å; L224-W280 WeakPolarHBondContact O-CZ2 3.21Å
225W98.5Very high97.5Very high45 Ų4544.1 Ų44.117%0.1726%0.255CS..EExtended strand (participates in β ladder)trans-106.9132178.764.9-94.9000112.5W199 D201 R204 Y227 A254W199-W225 HydrophobicContact CE3-CB 4.22Å; W199-W225 AromaticContact CE3-CD1 3.65Å; W199-W225 HydrophobicContact CE3-CG 4.27Å; W199-W225 HydrophobicContact CZ3-CB 4.07Å; D201-W225 HydrophobicContact CB-CZ2 3.83Å; D201-W225 PolarHBondContact OD1-NE1 3.04Å; R204-W225 PolarHBondContact NH2-O 2.99Å; W225-Y227 HydrophobicContact CB-CE1 3.89Å; W225-Y227 HydrophobicContact CD2-CE2 4.37Å; W225-Y227 AromaticContact CE3-CD2 3.99Å; W225-Y227 HydrophobicContact CE3-CD2 3.99Å; W225-Y227 HydrophobicContact CE3-CE1 4.44Å; W225-Y227 AromaticContact CE3-CE2 3.6Å; W225-Y227 HydrophobicContact CE3-CE2 3.6Å; W225-Y227 AromaticContact CE3-CZ 3.85Å; W225-Y227 HydrophobicContact CZ3-CD2 4.25Å; W225-Y227 HydrophobicContact CZ3-CE2 4.07Å; W225-A254 WeakPolarHBondContact CA-O 3.25Å; W225-A254 HydrophobicContact CB-CB 3.8Å
226D98.3Very high97.6Very high32 Ų3242.7 Ų42.717%0.17124%0.239CC..  trans-152.8116.5169.1-168.5-30.3000108T228 L231 A254 N276 W280D226-T228 WeakPolarHBondContact OD1-CB 3.47Å; D226-T228 WeakPolarHBondContact OD1-CG2 3.33Å; D226-T228 PolarHBondContact OD1-N 3.35Å; D226-T228 PolarHBondContact OD1-OG1 3.05Å; D226-L231 HydrophobicContact CB-CB 4.4Å; D226-A254 PolarHBondContact N-O 2.74Å; D226-N276 PolarHBondContact O-ND2 3.24Å; D226-W280 HydrophobicContact CB-CZ2 4.21Å; D226-W280 PolarHBondContact O-NE1 3.47Å
227Y98.1Very high97.7Very high30 Ų3043.3 Ų43.312%0.11824%0.243CC..  trans-99.81-173.4-50.1-36.7000112.7W225 A254 N276 T299 W301W225-Y227 HydrophobicContact CB-CE1 3.89Å; W225-Y227 HydrophobicContact CD2-CE2 4.37Å; W225-Y227 AromaticContact CE3-CD2 3.99Å; W225-Y227 HydrophobicContact CE3-CD2 3.99Å; W225-Y227 HydrophobicContact CE3-CE1 4.44Å; W225-Y227 AromaticContact CE3-CE2 3.6Å; W225-Y227 HydrophobicContact CE3-CE2 3.6Å; W225-Y227 AromaticContact CE3-CZ 3.85Å; W225-Y227 HydrophobicContact CZ3-CD2 4.25Å; W225-Y227 HydrophobicContact CZ3-CE2 4.07Å; Y227-A254 HydrophobicContact CE1-CB 4.47Å; Y227-N276 WeakPolarHBondContact CA-ND2 3.41Å; Y227-T299 HydrophobicContact CE1-CG2 4.37Å; Y227-T299 VanDerWaalsContact CE1-OG1 3.3Å; Y227-T299 WeakPolarHBondContact CE1-OG1 3.47Å; Y227-W301 AromaticContact CE2-NE1 3.32Å; Y227-W301 VanDerWaalsContact CE2-NE1 3.32Å; Y227-W301 AromaticContact CZ-NE1 3.43Å; Y227-W301 WeakPolarHBondContact OH-CZ2 3.48Å; Y227-W301 PolarHBondContact OH-NE1 3.23Å
228T97.2Very high97.7Very high61 Ų6144.5 Ų44.537%0.37425%0.253SS..  trans-70.8133.9-176.759.60000110.8D226 N230 L231 N276D226-T228 WeakPolarHBondContact OD1-CB 3.47Å; D226-T228 WeakPolarHBondContact OD1-CG2 3.33Å; D226-T228 PolarHBondContact OD1-N 3.35Å; D226-T228 PolarHBondContact OD1-OG1 3.05Å; T228-N230 PolarHBondContact O-N 3.34Å; T228-L231 PolarHBondContact O-N 3.43Å; T228-L231 WeakPolarHBondContact OG1-CA 3.36Å; T228-L231 VanDerWaalsContact OG1-CB 3.24Å; T228-L231 WeakPolarHBondContact OG1-CB 3.5Å; T228-L231 PolarHBondContact OG1-N 2.86Å; T228-N276 PolarHBondContact N-ND2 3.13Å; T228-N276 PolarHBondContact O-ND2 3.12Å
229P96.8Very high97.9Very high47 Ų4742.3 Ų42.331%0.30523%0.226SC..THydrogen-bonded Turntrans-64.8-22.7179.825.3-34.6000112.6T272 D275 Q279P229-T272 HydrophobicContact CB-CG2 4.33Å; P229-T272 HydrophobicContact CG-CG2 4.27Å; P229-D275 HydrophobicContact CB-CB 3.75Å; P229-D275 CarbonylContact O-C 3.56Å; P229-Q279 VanDerWaalsContact O-CG 3.3Å; P229-Q279 WeakPolarHBondContact O-CG 3.1Å
230N95.9Very high97.9Very high130 Ų13040.7 Ų40.770%0.69522%0.217SC*.THydrogen-bonded Turntrans-11535.1178.265.2-21.1000112.3T228T228-N230 PolarHBondContact O-N 3.34Å
231L96.4Very high97.8Very high4 Ų444.5 Ų44.52%0.02123%0.234CC..  trans-48.9143.1-179.678.591.5000111.9D226 T228 V233 T236 Q279 W280 V283D226-L231 HydrophobicContact CB-CB 4.4Å; T228-L231 PolarHBondContact O-N 3.43Å; T228-L231 WeakPolarHBondContact OG1-CA 3.36Å; T228-L231 VanDerWaalsContact OG1-CB 3.24Å; T228-L231 WeakPolarHBondContact OG1-CB 3.5Å; T228-L231 PolarHBondContact OG1-N 2.86Å; L231-V233 HydrophobicContact CD1-CG2 4.32Å; L231-V233 PolarHBondContact O-N 3.23Å; L231-V233 VanDerWaalsContact O-N 3.1Å; L231-T236 WeakPolarHBondContact CD1-OG1 3.36Å; L231-Q279 HydrophobicContact CD1-CB 4Å; L231-Q279 HydrophobicContact CD2-CB 3.42Å; L231-Q279 VanDerWaalsContact CD2-CB 3.42Å; L231-Q279 HydrophobicContact CD2-CG 4.31Å; L231-Q279 HydrophobicContact CG-CB 3.35Å; L231-Q279 HydrophobicContact CG-CG 3.99Å; L231-W280 HydrophobicContact CD2-CD2 4.32Å; L231-W280 HydrophobicContact CD2-CG 4.05Å; L231-V283 HydrophobicContact CD1-CG2 3.66Å
232N98.1Very high97.8Very high88 Ų8845.1 Ų45.147%0.47124%0.237SC..  trans-78101.4-179.3-175.5-39.2000109.7D234 K235 T236N232-D234 PolarHBondContact O-N 2.95Å; N232-D234 PolarHBondContact OD1-N 3.3Å; N232-K235 HydrophobicContact CB-CB 3.93Å; N232-K235 PolarHBondContact O-N 3.44Å; N232-K235 WeakPolarHBondContact OD1-CB 3.17Å; N232-K235 PolarHBondContact OD1-N 2.81Å; N232-T236 WeakPolarHBondContact O-CB 3.37Å; N232-T236 PolarHBondContact O-N 3.31Å; N232-T236 PolarHBondContact O-OG1 3.45Å
233V98.1Very high97.8Very high21 Ų2145.1 Ų45.113%0.12724%0.237CC..Hα-helixtrans-56.3-49.9-176.8176.10000111.6L231 K235 T236 V237 Q279 K282 V283L231-V233 HydrophobicContact CD1-CG2 4.32Å; L231-V233 PolarHBondContact O-N 3.23Å; L231-V233 VanDerWaalsContact O-N 3.1Å; V233-K235 PolarHBondContact O-N 3.42Å; V233-T236 PolarHBondContact O-N 3.34Å; V233-T236 VanDerWaalsContact O-N 3.16Å; V233-V237 HydrophobicContact CG1-CG2 4.37Å; V233-V237 WeakPolarHBondContact O-CG2 3.49Å; V233-V237 PolarHBondContact O-N 2.91Å; V233-Q279 HydrophobicContact CG2-CB 4.42Å; V233-K282 HydrophobicContact CG1-CB 4.17Å; V233-K282 HydrophobicContact CG2-CB 3.94Å; V233-K282 HydrophobicContact CG2-CD 4.31Å; V233-V283 HydrophobicContact CB-CG2 4.23Å; V233-V283 HydrophobicContact CG1-CG2 3.93Å; V233-V283 HydrophobicContact CG2-CG2 4.24Å
234D98Very high97.7Very high130 Ų13047.8 Ų47.870%0.69525%0.249SC*.Hα-helixtrans-63.7-43.3-176.5-64.5-24.5000112.1N232 T236 V237 S238N232-D234 PolarHBondContact O-N 2.95Å; N232-D234 PolarHBondContact OD1-N 3.3Å; D234-T236 VanDerWaalsContact C-N 3.3Å; D234-T236 PolarHBondContact O-N 2.81Å; D234-V237 PolarHBondContact O-N 3.31Å; D234-S238 WeakPolarHBondContact O-CB 3.32Å; D234-S238 PolarHBondContact O-N 2.8Å
235K98.1Very high97.6Very high135 Ų13549 Ų4959%0.58726%0.263SS*.Hα-helixtrans-61.9-41.3175.6-175.9-175.6175.9-170.40111N232 V233 S238 L239N232-K235 HydrophobicContact CB-CB 3.93Å; N232-K235 PolarHBondContact O-N 3.44Å; N232-K235 WeakPolarHBondContact OD1-CB 3.17Å; N232-K235 PolarHBondContact OD1-N 2.81Å; V233-K235 PolarHBondContact O-N 3.42Å; K235-S238 PolarHBondContact O-N 2.81Å; K235-L239 WeakPolarHBondContact O-CG 3.33Å; K235-L239 PolarHBondContact O-N 3.48Å
236T98.2Very high97.5Very high3 Ų347 Ų472%0.01826%0.255CS..Hα-helixtrans-67.9-44.7-178.8-54.70000111.4L224 L231 N232 V233 D234 S238 L239 L240 W280 V283L224-T236 HydrophobicContact CD1-CG2 4.34Å; L224-T236 HydrophobicContact CD2-CG2 3.84Å; L231-T236 WeakPolarHBondContact CD1-OG1 3.36Å; N232-T236 WeakPolarHBondContact O-CB 3.37Å; N232-T236 PolarHBondContact O-N 3.31Å; N232-T236 PolarHBondContact O-OG1 3.45Å; V233-T236 PolarHBondContact O-N 3.34Å; V233-T236 VanDerWaalsContact O-N 3.16Å; D234-T236 VanDerWaalsContact C-N 3.3Å; D234-T236 PolarHBondContact O-N 2.81Å; T236-S238 VanDerWaalsContact C-N 3.33Å; T236-S238 PolarHBondContact O-N 2.99Å; T236-L239 PolarHBondContact O-N 2.9Å; T236-L240 HydrophobicContact CG2-CD1 4.49Å; T236-L240 PolarHBondContact O-N 3.32Å; T236-L240 VanDerWaalsContact O-N 3.11Å; T236-W280 HydrophobicContact CG2-CH2 4.09Å; T236-W280 HydrophobicContact CG2-CZ3 4.05Å; T236-V283 HydrophobicContact CG2-CG1 3.86Å; T236-V283 HydrophobicContact CG2-CG2 3.87Å
237V98Very high97.3Very high13 Ų1347.3 Ų47.38%0.07927%0.266CS..Hα-helixtrans-58.1-46.3172.6170.10000110.5V233 D234 L239 L240 E241 V283 L287V233-V237 HydrophobicContact CG1-CG2 4.37Å; V233-V237 WeakPolarHBondContact O-CG2 3.49Å; V233-V237 PolarHBondContact O-N 2.91Å; D234-V237 PolarHBondContact O-N 3.31Å; V237-L239 VanDerWaalsContact C-N 3.31Å; V237-L239 PolarHBondContact O-N 2.92Å; V237-L240 PolarHBondContact O-N 3.26Å; V237-E241 HydrophobicContact CG1-CG 4.29Å; V237-E241 WeakPolarHBondContact O-CG 3.26Å; V237-E241 PolarHBondContact O-N 3.05Å; V237-V283 HydrophobicContact CG2-CB 4.49Å; V237-V283 HydrophobicContact CG2-CG1 4.04Å; V237-L287 HydrophobicContact CB-CD2 4.48Å; V237-L287 HydrophobicContact CG1-CD2 4.2Å; V237-L287 HydrophobicContact CG2-CD2 4.33Å
238S98Very high97.2Very high70 Ų7046 Ų4649%0.4926%0.261SS..Hα-helixtrans-59.9-37.9178.5-176.40000113D234 K235 T236 K242D234-S238 WeakPolarHBondContact O-CB 3.32Å; D234-S238 PolarHBondContact O-N 2.8Å; K235-S238 PolarHBondContact O-N 2.81Å; T236-S238 VanDerWaalsContact C-N 3.33Å; T236-S238 PolarHBondContact O-N 2.99Å; S238-K242 VanDerWaalsContact O-CB 3.3Å; S238-K242 WeakPolarHBondContact O-CB 3.09Å; S238-K242 PolarHBondContact O-N 2.77Å
239L98.2Very high96.7Very high20 Ų2046.1 Ų46.111%0.10527%0.265CS..Hα-helixtrans-65.4-45.8174.7-74.4171.8000112R204 L224 K235 T236 V237 K242 Y243R204-L239 HydrophobicContact CB-CD2 4.17Å; R204-L239 HydrophobicContact CG-CD1 4.14Å; R204-L239 HydrophobicContact CG-CD2 4.15Å; L224-L239 HydrophobicContact CD1-CB 3.63Å; L224-L239 HydrophobicContact CD1-CD1 4.14Å; K235-L239 WeakPolarHBondContact O-CG 3.33Å; K235-L239 PolarHBondContact O-N 3.48Å; T236-L239 PolarHBondContact O-N 2.9Å; V237-L239 VanDerWaalsContact C-N 3.31Å; V237-L239 PolarHBondContact O-N 2.92Å; L239-K242 WeakPolarHBondContact O-CB 3.46Å; L239-K242 PolarHBondContact O-N 2.99Å; L239-Y243 HydrophobicContact CB-CE2 4.38Å; L239-Y243 WeakPolarHBondContact O-CD2 3.24Å; L239-Y243 PolarHBondContact O-N 2.82Å
240L97.6Very high96.6Very high1 Ų146.3 Ų46.31%0.00526%0.263CS..Hα-helixtrans-63.4-42.7177.7-67.6168.7000111.5L224 T236 V237 K242 Y243 H244 L251 V283 L287 I291 M293L224-L240 HydrophobicContact CB-CD2 4.02Å; L224-L240 HydrophobicContact CD1-CD2 3.83Å; L224-L240 HydrophobicContact CD1-CG 3.86Å; T236-L240 HydrophobicContact CG2-CD1 4.49Å; T236-L240 PolarHBondContact O-N 3.32Å; T236-L240 VanDerWaalsContact O-N 3.11Å; V237-L240 PolarHBondContact O-N 3.26Å; L240-K242 VanDerWaalsContact C-N 3.32Å; L240-K242 PolarHBondContact O-N 2.83Å; L240-Y243 PolarHBondContact O-N 3.2Å; L240-H244 WeakPolarHBondContact O-CB 3.3Å; L240-H244 PolarHBondContact O-N 2.8Å; L240-L251 HydrophobicContact CB-CD1 4.01Å; L240-L251 HydrophobicContact CD2-CB 4.24Å; L240-L251 HydrophobicContact CD2-CD1 3.76Å; L240-L251 WeakPolarHBondContact O-CD1 3.22Å; L240-V283 HydrophobicContact CD1-CG1 3.83Å; L240-L287 HydrophobicContact CB-CD2 3.74Å; L240-L287 HydrophobicContact CD1-CD1 3.83Å; L240-L287 HydrophobicContact CD1-CD2 3.69Å; L240-L287 HydrophobicContact CD1-CG 4.29Å; L240-L287 HydrophobicContact CG-CD2 4.36Å; L240-I291 HydrophobicContact CB-CD1 4.49Å; L240-M293 HydrophobicContact CD1-SD 4.45Å
241E97Very high96.7Very high88 Ų8840.1 Ų40.141%0.41123%0.23SC..Hα-helixtrans-63.8-35.6173.9-72.8-177.3158.600112.5V237 H244 G245 I291V237-E241 HydrophobicContact CG1-CG 4.29Å; V237-E241 WeakPolarHBondContact O-CG 3.26Å; V237-E241 PolarHBondContact O-N 3.05Å; E241-H244 PolarHBondContact O-N 2.88Å; E241-G245 PolarHBondContact O-N 2.67Å; E241-I291 HydrophobicContact CG-CD1 3.79Å
242K97.6Very high96.8Very high27 Ų2740.2 Ų40.212%0.11723%0.23CC..Hα-helixtrans-62.1-46.9173.9-175.3-168.771.6161.40111.3M203 R204 M206 Q208 S238 L239 L240 G245 A246M203-K242 PolarHBondContact O-NZ 3.35Å; R204-K242 PolarHBondContact O-NZ 2.85Å; M206-K242 WeakPolarHBondContact O-CD 3.4Å; M206-K242 PolarHBondContact O-NZ 2.78Å; Q208-K242 HydrophobicContact CG-CG 3.58Å; S238-K242 VanDerWaalsContact O-CB 3.3Å; S238-K242 WeakPolarHBondContact O-CB 3.09Å; S238-K242 PolarHBondContact O-N 2.77Å; L239-K242 WeakPolarHBondContact O-CB 3.46Å; L239-K242 PolarHBondContact O-N 2.99Å; L240-K242 VanDerWaalsContact C-N 3.32Å; L240-K242 PolarHBondContact O-N 2.83Å; K242-G245 PolarHBondContact O-N 3.45Å; K242-A246 WeakPolarHBondContact O-CB 3.46Å; K242-A246 PolarHBondContact O-N 2.87Å
243Y97.8Very high96.8Very high0 Ų036 Ų360%021%0.207CC..Hα-helixtrans-65.2-42.9178.1-59.4-40000111.6D200 M203 L211 P222 L224 L239 L240 G245 A246 G247 M248D200-Y243 HydrophobicContact CB-CE2 3.81Å; D200-Y243 PolarHBondContact O-OH 2.8Å; D200-Y243 WeakPolarHBondContact OD2-CE2 3.03Å; D200-Y243 PolarHBondContact OD2-OH 2.78Å; M203-Y243 HydrophobicContact CB-CE1 3.95Å; L211-Y243 HydrophobicContact CD1-CD1 3.85Å; L211-Y243 HydrophobicContact CD1-CE1 4.08Å; P222-Y243 HydrophobicContact CB-CD2 4.32Å; L224-Y243 HydrophobicContact CD1-CE2 4.15Å; L239-Y243 HydrophobicContact CB-CE2 4.38Å; L239-Y243 WeakPolarHBondContact O-CD2 3.24Å; L239-Y243 PolarHBondContact O-N 2.82Å; L240-Y243 PolarHBondContact O-N 3.2Å; Y243-G245 PolarHBondContact O-N 2.76Å; Y243-A246 WeakPolarHBondContact O-CB 3.45Å; Y243-A246 PolarHBondContact O-N 3.12Å; Y243-G247 PolarHBondContact O-N 3.04Å; Y243-M248 WeakPolarHBondContact O-CB 3.33Å; Y243-M248 PolarHBondContact O-N 2.86Å
244H96.4Very high96.8Very high56 Ų5635 Ų3526%0.25920%0.201SC..Hα-helixtrans-59.6-46.1173.1-178.279.8000112.3L240 E241 A246 G247 M248 A290 I291L240-H244 WeakPolarHBondContact O-CB 3.3Å; L240-H244 PolarHBondContact O-N 2.8Å; E241-H244 PolarHBondContact O-N 2.88Å; H244-A246 PolarHBondContact O-N 2.86Å; H244-G247 WeakPolarHBondContact O-CA 3.47Å; H244-G247 PolarHBondContact O-N 3.44Å; H244-M248 WeakPolarHBondContact CA-O 3.45Å; H244-A290 PolarHBondContact CE1-O 2.91Å; H244-I291 HydrophobicContact CB-CD1 4.21Å; H244-I291 HydrophobicContact CB-CG1 3.84Å
245G96.2Very high96.9Very high29 Ų2928.8 Ų28.830%0.29917%0.168SC..Hα-helixtrans-64.5-25.1176.600000114K212 E241 K242 Y243 G247K212-G245 WeakPolarHBondContact CE-O 3.43Å; K212-G245 PolarHBondContact NZ-O 2.98Å; K212-G245 VanDerWaalsContact NZ-O 3.08Å; E241-G245 PolarHBondContact O-N 2.67Å; K242-G245 PolarHBondContact O-N 3.45Å; Y243-G245 PolarHBondContact O-N 2.76Å; G245-G247 VanDerWaalsContact C-N 3.26Å
246A96.9Very high96.9Very high2 Ų222.4 Ų22.42%0.01714%0.14CC..THydrogen-bonded Turntrans-74.8-11.2169.100000113.6L211 K212 V217 K242 Y243 H244L211-A246 HydrophobicContact CB-CB 3.79Å; L211-A246 HydrophobicContact CD1-CB 4.13Å; K212-A246 HydrophobicContact CG-CB 4.39Å; K212-A246 VanDerWaalsContact CG-O 3.29Å; K212-A246 WeakPolarHBondContact CG-O 3.5Å; V217-A246 WeakPolarHBondContact CG1-O 2.98Å; V217-A246 WeakPolarHBondContact CG2-O 3.42Å; K242-A246 WeakPolarHBondContact O-CB 3.46Å; K242-A246 PolarHBondContact O-N 2.87Å; Y243-A246 WeakPolarHBondContact O-CB 3.45Å; Y243-A246 PolarHBondContact O-N 3.12Å; H244-A246 PolarHBondContact O-N 2.86Å
247G95.5Very high96.9Very high38 Ų3822.2 Ų22.239%0.39214%0.139SC..THydrogen-bonded Turntrans101.48179.600000114.6Y243 H244 G245 S249Y243-G247 PolarHBondContact O-N 3.04Å; H244-G247 WeakPolarHBondContact O-CA 3.47Å; H244-G247 PolarHBondContact O-N 3.44Å; G245-G247 VanDerWaalsContact C-N 3.26Å; G247-S249 PolarHBondContact O-N 3.21Å
248M94.7Very high96.9Very high3 Ų321.7 Ų21.72%0.01514%0.136CC..  trans-88.490.7174-62.7171.3174.800109.1M203 L216 V217 V220 P222 Y243 H244 L251M203-M248 HydrophobicContact SD-CE 4.37Å; L216-M248 HydrophobicContact CB-CE 4.41Å; L216-M248 HydrophobicContact CD2-CE 4.1Å; L216-M248 HydrophobicContact CG-CE 4.15Å; V217-M248 HydrophobicContact CG1-CG 4.49Å; V217-M248 HydrophobicContact CG2-CE 3.87Å; V217-M248 HydrophobicContact CG2-CG 4.25Å; V220-M248 HydrophobicContact CG2-CE 4.33Å; P222-M248 HydrophobicContact CG-CB 4.19Å; P222-M248 HydrophobicContact CG-CG 4.3Å; P222-M248 HydrophobicContact CG-SD 3.32Å; P222-M248 WeakPolarHBondContact CG-SD 3.43Å; Y243-M248 WeakPolarHBondContact O-CB 3.33Å; Y243-M248 PolarHBondContact O-N 2.86Å; H244-M248 WeakPolarHBondContact CA-O 3.45Å; M248-L251 HydrophobicContact CB-CD2 4.26Å
249S87.3Confident96.8Very high64 Ų6418.4 Ų18.445%0.44811%0.113SC..  trans-79.3-28.1-170.2-53.50000114.8G247 N292G247-S249 PolarHBondContact O-N 3.21Å; S249-N292 WeakPolarHBondContact O-CB 3.42Å; S249-N292 PolarHBondContact O-N 3.45Å
250D94.9Very high96.7Very high50 Ų5018.6 Ų18.627%0.26712%0.116SC..EExtended strand (participates in β ladder)trans-99.5113.4179-70.3-43.5000109.5Q221 N292 R294Q221-D250 WeakPolarHBondContact CB-O 3.42Å; Q221-D250 HydrophobicContact CG-CB 3.88Å; D250-N292 PolarHBondContact OD1-ND2 3.21Å; D250-R294 HydrophobicContact CB-CG 3.78Å; D250-R294 WeakPolarHBondContact OD1-CD 3.49Å; D250-R294 IonicContact OD1-NH1 3.6Å
251L97.1Very high96.6Very high0 Ų021.4 Ų21.40%013%0.134CC..EExtended strand (participates in β ladder)trans-122.3155-176.1-58-178.8000111.3P222 L240 M248 I291 N292 M293 R294P222-L251 HydrophobicContact CB-CD2 4.1Å; P222-L251 HydrophobicContact CG-CD2 3.91Å; L240-L251 HydrophobicContact CB-CD1 4.01Å; L240-L251 HydrophobicContact CD2-CB 4.24Å; L240-L251 HydrophobicContact CD2-CD1 3.76Å; L240-L251 WeakPolarHBondContact O-CD1 3.22Å; M248-L251 HydrophobicContact CB-CD2 4.26Å; L251-I291 HydrophobicContact CD1-CG2 3.71Å; L251-I291 HydrophobicContact CG-CG2 4.33Å; L251-N292 PolarHBondContact N-O 2.95Å; L251-M293 HydrophobicContact CB-SD 3.98Å; L251-M293 CarbonylContact O-C 3.53Å; L251-M293 WeakPolarHBondContact O-CA 3.44Å; L251-R294 PolarHBondContact O-N 3.31Å
252W98.5Very high96.5Very high6 Ų619 Ų192%0.02313%0.127CC..EExtended strand (participates in β ladder)trans-125.6154.7176.1-66.583000111K9 L11 I197 P222 M223 L224 R294K9-W252 HydrophobicContact CB-CH2 4.34Å; K9-W252 HydrophobicContact CB-CZ3 4.26Å; K9-W252 HydrophobicContact CD-CH2 4.37Å; L11-W252 HydrophobicContact CD1-CE3 4.28Å; L11-W252 HydrophobicContact CD1-CH2 4.09Å; L11-W252 HydrophobicContact CD1-CZ3 3.6Å; L11-W252 HydrophobicContact CG-CZ3 4.12Å; I197-W252 HydrophobicContact CD1-CD2 4.14Å; I197-W252 HydrophobicContact CD1-CG 4.48Å; I197-W252 HydrophobicContact CD1-CZ2 3.84Å; P222-W252 PolarHBondContact O-N 2.88Å; M223-W252 WeakPolarHBondContact CA-O 3.43Å; M223-W252 HydrophobicContact CB-CB 3.76Å; M223-W252 HydrophobicContact CE-CB 3.64Å; M223-W252 HydrophobicContact CE-CD2 3.9Å; M223-W252 HydrophobicContact CE-CE3 3.88Å; M223-W252 HydrophobicContact CE-CG 3.84Å; M223-W252 HydrophobicContact CG-CB 3.65Å; M223-W252 HydrophobicContact SD-CB 4.48Å; L224-W252 PolarHBondContact N-O 3.2Å; W252-R294 HydrophobicContact CD2-CB 3.72Å; W252-R294 HydrophobicContact CE3-CB 4.27Å; W252-R294 HydrophobicContact CG-CB 4.2Å; W252-R294 HydrophobicContact CH2-CB 4.08Å; W252-R294 HydrophobicContact CZ2-CB 3.5Å; W252-R294 VanDerWaalsContact CZ2-CB 3.5Å; W252-R294 HydrophobicContact CZ2-CG 4.41Å; W252-R294 HydrophobicContact CZ3-CB 4.44Å
253A98.5Very high96.3Very high0 Ų021.3 Ų21.30%014%0.143CC..EExtended strand (participates in β ladder)trans-108.2157.2168.900000110.6W5 L224 W280 M293 G295 I296 A297W5-A253 HydrophobicContact CH2-CB 3.6Å; W5-A253 HydrophobicContact CZ2-CB 3.85Å; L224-A253 CarbonylContact O-C 3.57Å; L224-A253 WeakPolarHBondContact O-CA 3.25Å; A253-W280 HydrophobicContact CB-CD2 4.3Å; A253-W280 HydrophobicContact CB-CE3 3.72Å; A253-W280 HydrophobicContact CB-CH2 3.73Å; A253-W280 HydrophobicContact CB-CZ2 4.34Å; A253-W280 HydrophobicContact CB-CZ3 3.41Å; A253-W280 VanDerWaalsContact CB-CZ3 3.41Å; A253-M293 HydrophobicContact CB-CE 3.79Å; A253-G295 PolarHBondContact N-O 3.23Å; A253-I296 HydrophobicContact CB-CB 4.17Å; A253-I296 HydrophobicContact CB-CD1 4.26Å; A253-I296 HydrophobicContact CB-CG1 3.97Å; A253-I296 CarbonylContact O-C 3.59Å; A253-I296 VanDerWaalsContact O-CA 3.25Å; A253-I296 WeakPolarHBondContact O-CA 3.44Å; A253-A297 PolarHBondContact O-N 2.66Å
254A98.7Very high96.1Very high0 Ų025.5 Ų25.50%017%0.165CC..EExtended strand (participates in β ladder)trans-139.3115.7167.600000111.3W199 M223 L224 W225 D226 Y227 W280 A297 T299W199-A254 HydrophobicContact CH2-CB 4.16Å; W199-A254 HydrophobicContact CZ3-CB 3.63Å; M223-A254 HydrophobicContact CG-CB 4.04Å; M223-A254 HydrophobicContact SD-CB 4.13Å; L224-A254 PolarHBondContact O-N 2.79Å; W225-A254 WeakPolarHBondContact CA-O 3.25Å; W225-A254 HydrophobicContact CB-CB 3.8Å; D226-A254 PolarHBondContact N-O 2.74Å; Y227-A254 HydrophobicContact CE1-CB 4.47Å; A254-W280 WeakPolarHBondContact O-CZ2 3.3Å; A254-W280 PolarHBondContact O-NE1 3.49Å; A254-A297 CarbonylContact C-O 3.55Å; A254-A297 VanDerWaalsContact CA-O 3.22Å; A254-A297 WeakPolarHBondContact CA-O 3.38Å; A254-A297 HydrophobicContact CB-CB 4.33Å; A254-T299 HydrophobicContact CB-CG2 4.11Å
255S98.7Very high96.1Very high0 Ų023.9 Ų23.90%016%0.159CC..EExtended strand (participates in β ladder)trans-9818016856.90000109.4N276 H277 I296 A297 T299S255-N276 WeakPolarHBondContact CA-OD1 3.49Å; S255-N276 WeakPolarHBondContact CB-OD1 3.46Å; S255-H277 VanDerWaalsContact CB-CE1 3.47Å; S255-H277 WeakPolarHBondContact CB-CE1 3.46Å; S255-H277 WeakPolarHBondContact CB-NE2 3.29Å; S255-H277 PolarHBondContact OG-CD2 2.75Å; S255-H277 PolarHBondContact OG-CE1 3.29Å; S255-H277 PolarHBondContact OG-NE2 3.02Å; S255-I296 WeakPolarHBondContact OG-CD1 3.42Å; S255-A297 PolarHBondContact N-O 3.15Å; S255-T299 WeakPolarHBondContact O-CB 3.06Å; S255-T299 PolarHBondContact O-N 3.13Å; S255-T299 PolarHBondContact O-OG1 2.84Å
256S98.4Very high96.1Very high0 Ų023 Ų230%015%0.148CC..EExtended strand (participates in β ladder)trans-129.9149.1173.764.80000112.6S260 H273 N276 H277 T299S256-S260 WeakPolarHBondContact CB-OG 3.45Å; S256-S260 PolarHBondContact OG-OG 2.94Å; S256-H273 WeakPolarHBondContact O-CB 3.39Å; S256-H273 PolarHBondContact O-ND1 2.88Å; S256-H273 PolarHBondContact OG-CE1 3.45Å; S256-H273 PolarHBondContact OG-ND1 3.46Å; S256-H273 VanDerWaalsContact OG-ND1 3.13Å; S256-N276 PolarHBondContact N-OD1 2.85Å; S256-H277 PolarHBondContact O-CE1 2.88Å; S256-T299 CarbonylContact C-O 3.29Å; S256-T299 WeakPolarHBondContact CA-O 3.22Å
257F98.6Very high96Very high0 Ų023.8 Ų23.80%015%0.153CC..EExtended strand (participates in β ladder)trans-112.9-12.4170.475.6-86.8000113.9V12 H273 I298 T299 L314 A317 S320 L321V12-F257 HydrophobicContact CG1-CE1 4.34Å; F257-H273 PolarHBondContact O-CD2 3.16Å; F257-H273 VanDerWaalsContact O-CD2 3.25Å; F257-I298 HydrophobicContact CB-CG2 3.77Å; F257-I298 HydrophobicContact CD1-CG2 3.75Å; F257-I298 WeakPolarHBondContact CD1-O 3.26Å; F257-I298 HydrophobicContact CG-CG2 4.16Å; F257-T299 VanDerWaalsContact CD1-C 3.47Å; F257-T299 WeakPolarHBondContact CD1-O 3.39Å; F257-T299 PolarHBondContact N-O 3.5Å; F257-L314 HydrophobicContact CE2-CD1 3.72Å; F257-L314 HydrophobicContact CZ-CD1 3.69Å; F257-A317 HydrophobicContact CD2-CB 3.99Å; F257-A317 HydrophobicContact CE2-CB 3.96Å; F257-S320 WeakPolarHBondContact O-CB 3.12Å; F257-S320 PolarHBondContact O-OG 2.98Å; F257-L321 HydrophobicContact CB-CB 4.25Å; F257-L321 HydrophobicContact CB-CD1 4.25Å; F257-L321 HydrophobicContact CD1-CD1 3.85Å; F257-L321 HydrophobicContact CD2-CB 3.54Å; F257-L321 HydrophobicContact CD2-CD1 4.24Å; F257-L321 HydrophobicContact CD2-CG 4.33Å; F257-L321 HydrophobicContact CE1-CD1 4.15Å; F257-L321 HydrophobicContact CE2-CB 3.92Å; F257-L321 HydrophobicContact CE2-CD2 4.29Å; F257-L321 HydrophobicContact CE2-CG 4.47Å; F257-L321 HydrophobicContact CG-CB 3.92Å; F257-L321 HydrophobicContact CG-CD1 3.86Å; F257-L321 HydrophobicContact CG-CG 4.42Å; F257-L321 HydrophobicContact CZ-CD1 4.48Å; F257-L321 HydrophobicContact CZ-CD2 4.33Å
258K98.2Very high96.1Very high1 Ų122.1 Ų22.10%0.00414%0.135CC..EExtended strand (participates in β ladder)trans-163168.4173.470.1178.7-146.875.80110.4S260 H273 W301 C311 E312 L314 A317K258-S260 VanDerWaalsContact C-N 3.31Å; K258-S260 PolarHBondContact O-N 3.38Å; K258-H273 PolarHBondContact N-CE1 2.99Å; K258-W301 PolarHBondContact NZ-O 3.2Å; K258-C311 PolarHBondContact NZ-O 3.45Å; K258-E312 HydrophobicContact CB-CB 3.95Å; K258-E312 VanDerWaalsContact CD-O 3.26Å; K258-E312 WeakPolarHBondContact CD-O 3.47Å; K258-E312 WeakPolarHBondContact CE-O 3.47Å; K258-E312 PolarHBondContact NZ-O 3.12Å; K258-L314 HydrophobicContact CD-CD1 4.3Å; K258-A317 HydrophobicContact CB-CB 3.56Å; K258-A317 HydrophobicContact CD-CB 3.56Å; K258-A317 HydrophobicContact CG-CB 4.06Å
259G96.5Very high96.2Very high2 Ų224.2 Ų24.22%0.02115%0.15CC..SBendtrans73.626.6167.200000113W301 E312G259-W301 WeakPolarHBondContact CA-O 3.46Å; G259-E312 WeakPolarHBondContact CA-OE2 3.45Å; G259-E312 PolarHBondContact N-OE2 2.94Å
260S96.1Very high96.7Very high23 Ų2321.3 Ų21.316%0.16113%0.129CC..  trans-143.212.7179.777.30000113.2S256 K258 H273S256-S260 WeakPolarHBondContact CB-OG 3.45Å; S256-S260 PolarHBondContact OG-OG 2.94Å; K258-S260 VanDerWaalsContact C-N 3.31Å; K258-S260 PolarHBondContact O-N 3.38Å; S260-H273 PolarHBondContact OG-CE1 2.93Å
261T95Very high96.8Very high61 Ų6122.6 Ų22.637%0.37413%0.134SC..SBendtrans-87.3-60177.3-60.10000110.5T265T261-T265 HydrophobicContact CG2-CG2 4.49Å
262S94.8Very high96.9Very high38 Ų3824.4 Ų24.427%0.26615%0.145SC..  trans-145.4164.7165.676.70000109.5D264 T265S262-D264 PolarHBondContact O-N 3.26Å; S262-D264 VanDerWaalsContact O-N 3.15Å; S262-D264 PolarHBondContact OG-OD1 3.2Å; S262-T265 WeakPolarHBondContact CB-OG1 3.46Å; S262-T265 PolarHBondContact N-OG1 2.96Å; S262-T265 VanDerWaalsContact N-OG1 3.13Å; S262-T265 PolarHBondContact O-N 2.95Å; S262-T265 PolarHBondContact OG-N 3.13Å; S262-T265 VanDerWaalsContact OG-N 3.13Å; S262-T265 PolarHBondContact OG-OG1 2.98Å
263V94.1Very high96.9Very high74 Ų7424.2 Ų24.245%0.44814%0.144SC..THydrogen-bonded Turntrans-61.1-20.7-179.7-60.50000114.1Y304V263-Y304 HydrophobicContact CB-CD1 4.26Å; V263-Y304 HydrophobicContact CB-CE1 4.38Å; V263-Y304 HydrophobicContact CB-CG 4.48Å; V263-Y304 HydrophobicContact CG1-CD1 3.94Å; V263-Y304 HydrophobicContact CG1-CD2 3.7Å; V263-Y304 HydrophobicContact CG1-CE1 4.04Å; V263-Y304 HydrophobicContact CG1-CE2 3.79Å; V263-Y304 HydrophobicContact CG1-CG 3.77Å
264D93.4Very high96.9Very high88 Ų8824.2 Ų24.247%0.47114%0.144SC..THydrogen-bonded Turntrans-126.510.8-172.667.3-31.8000113.1S262 C266 V309S262-D264 PolarHBondContact O-N 3.26Å; S262-D264 VanDerWaalsContact O-N 3.15Å; S262-D264 PolarHBondContact OG-OD1 3.2Å; D264-C266 PolarHBondContact O-N 3.42Å; D264-V309 HydrophobicContact CB-CG2 4.4Å
265T95.6Very high96.9Very high22 Ų2226.9 Ų26.914%0.13516%0.158CC..  trans-60.5125.6-179.1-67.10000109.7T261 S262 V267 C311 E312T261-T265 HydrophobicContact CG2-CG2 4.49Å; S262-T265 WeakPolarHBondContact CB-OG1 3.46Å; S262-T265 PolarHBondContact N-OG1 2.96Å; S262-T265 VanDerWaalsContact N-OG1 3.13Å; S262-T265 PolarHBondContact O-N 2.95Å; S262-T265 PolarHBondContact OG-N 3.13Å; S262-T265 VanDerWaalsContact OG-N 3.13Å; S262-T265 PolarHBondContact OG-OG1 2.98Å; T265-V267 VanDerWaalsContact CG2-O 3.26Å; T265-V267 WeakPolarHBondContact CG2-O 3.2Å; T265-C311 CarbonylContact O-C 3.58Å; T265-C311 WeakPolarHBondContact O-CA 3.35Å; T265-E312 HydrophobicContact CG2-CG 3.56Å; T265-E312 WeakPolarHBondContact O-CG 3.39Å; T265-E312 PolarHBondContact O-N 3.4Å
266C95.6Very high96.8Very high11 Ų1126.9 Ų26.97%0.07416%0.158CC..  trans-91.2-42.9178.2-176.90000112.4D264D264-C266 PolarHBondContact O-N 3.42Å
267V96.8Very high96.8Very high19 Ų1926.9 Ų26.912%0.11516%0.158CC..SBendtrans-112.5123.3-176.1-178.40000110.3T265 V316 I352 E353 I374 V375 N378T265-V267 VanDerWaalsContact CG2-O 3.26Å; T265-V267 WeakPolarHBondContact CG2-O 3.2Å; V267-V316 HydrophobicContact CG1-CG1 4.21Å; V267-I352 HydrophobicContact CG1-CG2 3.53Å; V267-E353 HydrophobicContact CG1-CG 3.68Å; V267-I374 HydrophobicContact CG2-CG2 4.48Å; V267-V375 HydrophobicContact CG1-CG2 4.08Å; V267-V375 HydrophobicContact CG2-CG2 4.25Å; V267-N378 HydrophobicContact CG2-CB 4.04Å
268T96.7Very high96.8Very high2 Ų229.1 Ų29.11%0.01217%0.17CC..  trans-69.7132.7-178.3-59.10000112.4E312 A317T268-E312 WeakPolarHBondContact CA-OE1 3.34Å; T268-E312 WeakPolarHBondContact CB-OE1 3.38Å; T268-E312 WeakPolarHBondContact CG2-OE1 3.41Å; T268-E312 PolarHBondContact OG1-OE1 3.36Å; T268-A317 HydrophobicContact CG2-CB 4.37Å
269C96.4Very high96.8Very high48 Ų4830.8 Ų30.832%0.32418%0.178SC..  trans-90107.4168.1177.90000109.4Q271 T272 H273C269-Q271 VanDerWaalsContact C-N 3.34Å; C269-Q271 PolarHBondContact O-N 3.34Å; C269-T272 PolarHBondContact O-N 3.4Å; C269-T272 PolarHBondContact SG-OG1 3.07Å; C269-H273 PolarHBondContact O-CD2 3.02Å; C269-H273 VanDerWaalsContact O-CD2 3.32Å
270T98.1Very high96.9Very high3 Ų330.7 Ų30.72%0.01818%0.177CC..Hα-helixtrans-64.9-40.5-176.5-67.10000111.4T272 H273 V274 S320 V350 E351T270-T272 VanDerWaalsContact C-N 3.3Å; T270-T272 PolarHBondContact O-N 3.07Å; T270-H273 PolarHBondContact O-N 3.43Å; T270-V274 HydrophobicContact CG2-CG2 4.03Å; T270-V274 WeakPolarHBondContact O-CG2 3.38Å; T270-V274 PolarHBondContact O-N 3.36Å; T270-S320 WeakPolarHBondContact OG1-CA 3.24Å; T270-S320 PolarHBondContact OG1-N 3.12Å; T270-V350 HydrophobicContact CG2-CB 4.42Å; T270-V350 HydrophobicContact CG2-CG2 4.33Å; T270-V350 PolarHBondContact OG1-O 3.13Å; T270-E351 WeakPolarHBondContact CB-OE1 3.36Å; T270-E351 WeakPolarHBondContact CB-OE2 3.36Å; T270-E351 PolarHBondContact N-OE2 3.43Å
271Q97.7Very high97Very high77 Ų7730.6 Ų30.636%0.3618%0.175SC..Hα-helixtrans-57.3-40.2179.6-170.860.657.300113.2C269 H273 V274 D275 E351C269-Q271 VanDerWaalsContact C-N 3.34Å; C269-Q271 PolarHBondContact O-N 3.34Å; Q271-H273 VanDerWaalsContact C-N 3.31Å; Q271-H273 PolarHBondContact O-N 3.08Å; Q271-V274 PolarHBondContact O-N 2.81Å; Q271-D275 PolarHBondContact NE2-OD1 3Å; Q271-D275 WeakPolarHBondContact O-CB 3.4Å; Q271-D275 VanDerWaalsContact O-CG 3.23Å; Q271-D275 PolarHBondContact O-N 3.01Å; Q271-E351 PolarHBondContact N-OE1 3.46Å
272T97.6Very high97.1Very high38 Ų3832.6 Ų32.623%0.23318%0.178CC..Hα-helixtrans-58-44.2178.4-65.20000111.7P229 C269 T270 D275 N276P229-T272 HydrophobicContact CB-CG2 4.33Å; P229-T272 HydrophobicContact CG-CG2 4.27Å; C269-T272 PolarHBondContact O-N 3.4Å; C269-T272 PolarHBondContact SG-OG1 3.07Å; T270-T272 VanDerWaalsContact C-N 3.3Å; T270-T272 PolarHBondContact O-N 3.07Å; T272-D275 PolarHBondContact O-N 3.38Å; T272-N276 PolarHBondContact O-N 2.81Å
273H98.6Very high97.2Very high1 Ų130.9 Ų30.91%0.00517%0.166CC..Hα-helixtrans-76.1-34.4179.9-66-68.7000112.5S256 F257 K258 S260 C269 T270 Q271 D275 N276 H277 E312S256-H273 WeakPolarHBondContact O-CB 3.39Å; S256-H273 PolarHBondContact O-ND1 2.88Å; S256-H273 PolarHBondContact OG-CE1 3.45Å; S256-H273 PolarHBondContact OG-ND1 3.46Å; S256-H273 VanDerWaalsContact OG-ND1 3.13Å; F257-H273 PolarHBondContact O-CD2 3.16Å; F257-H273 VanDerWaalsContact O-CD2 3.25Å; K258-H273 PolarHBondContact N-CE1 2.99Å; S260-H273 PolarHBondContact OG-CE1 2.93Å; C269-H273 PolarHBondContact O-CD2 3.02Å; C269-H273 VanDerWaalsContact O-CD2 3.32Å; T270-H273 PolarHBondContact O-N 3.43Å; Q271-H273 VanDerWaalsContact C-N 3.31Å; Q271-H273 PolarHBondContact O-N 3.08Å; H273-D275 VanDerWaalsContact C-N 3.33Å; H273-N276 PolarHBondContact O-N 3.48Å; H273-H277 PolarHBondContact O-N 3.12Å; H273-H277 VanDerWaalsContact O-N 3.09Å; H273-H277 PolarHBondContact O-ND1 3.26Å; H273-E312 IonicContact NE2-OE1 3.52Å
274V98.6Very high97.3Very high0 Ų027.9 Ų27.90%015%0.149CC..Hα-helixtrans-60.3-44.1170.7167.60000110.9T270 Q271 N276 H277 L278 F333T270-V274 HydrophobicContact CG2-CG2 4.03Å; T270-V274 WeakPolarHBondContact O-CG2 3.38Å; T270-V274 PolarHBondContact O-N 3.36Å; Q271-V274 PolarHBondContact O-N 2.81Å; V274-N276 VanDerWaalsContact C-N 3.32Å; V274-N276 PolarHBondContact O-N 3.5Å; V274-H277 PolarHBondContact O-N 3.15Å; V274-H277 VanDerWaalsContact O-N 3.13Å; V274-L278 HydrophobicContact CG1-CD1 4.11Å; V274-L278 HydrophobicContact CG1-CG 4.37Å; V274-L278 WeakPolarHBondContact O-CG 3.47Å; V274-L278 PolarHBondContact O-N 3.35Å; V274-F333 HydrophobicContact CG1-CB 3.57Å; V274-F333 HydrophobicContact CG1-CD1 3.84Å; V274-F333 HydrophobicContact CG1-CG 3.79Å; V274-F333 HydrophobicContact CG2-CD1 4.15Å; V274-F333 HydrophobicContact CG2-CE1 4.28Å; V274-F333 HydrophobicContact CG2-CG 4.28Å
275D98.6Very high97.3Very high56 Ų5627.9 Ų27.930%0.29916%0.161SC..Hα-helixtrans-60.6-41.5178.4-71.8-17.8000111.7P229 Q271 T272 H273 H277 L278 Q279P229-D275 HydrophobicContact CB-CB 3.75Å; P229-D275 CarbonylContact O-C 3.56Å; Q271-D275 PolarHBondContact NE2-OD1 3Å; Q271-D275 WeakPolarHBondContact O-CB 3.4Å; Q271-D275 VanDerWaalsContact O-CG 3.23Å; Q271-D275 PolarHBondContact O-N 3.01Å; T272-D275 PolarHBondContact O-N 3.38Å; H273-D275 VanDerWaalsContact C-N 3.33Å; D275-H277 PolarHBondContact O-N 3.08Å; D275-L278 PolarHBondContact O-N 3.14Å; D275-Q279 WeakPolarHBondContact O-CG 3.49Å; D275-Q279 PolarHBondContact O-N 3.26Å; D275-Q279 VanDerWaalsContact O-N 3.14Å
276N98.6Very high97.3Very high0 Ų030.1 Ų30.10%018%0.177CC..Hα-helixtrans-59.1-46.5173.3176.7-110.3000111.8D226 Y227 T228 S255 S256 T272 H273 V274 L278 Q279 W280D226-N276 PolarHBondContact O-ND2 3.24Å; Y227-N276 WeakPolarHBondContact CA-ND2 3.41Å; T228-N276 PolarHBondContact N-ND2 3.13Å; T228-N276 PolarHBondContact O-ND2 3.12Å; S255-N276 WeakPolarHBondContact CA-OD1 3.49Å; S255-N276 WeakPolarHBondContact CB-OD1 3.46Å; S256-N276 PolarHBondContact N-OD1 2.85Å; T272-N276 PolarHBondContact O-N 2.81Å; H273-N276 PolarHBondContact O-N 3.48Å; V274-N276 VanDerWaalsContact C-N 3.32Å; V274-N276 PolarHBondContact O-N 3.5Å; N276-L278 VanDerWaalsContact C-N 3.34Å; N276-L278 PolarHBondContact O-N 3Å; N276-Q279 PolarHBondContact O-N 3.34Å; N276-W280 PolarHBondContact O-N 2.79Å
277H98.4Very high97.2Very high0 Ų030.8 Ų30.80%018%0.18CC..Hα-helixtrans-64.6-36.1178.3-74.571.8000112.7S255 S256 H273 V274 D275 Q279 W280 L281 C324 T327S255-H277 VanDerWaalsContact CB-CE1 3.47Å; S255-H277 WeakPolarHBondContact CB-CE1 3.46Å; S255-H277 WeakPolarHBondContact CB-NE2 3.29Å; S255-H277 PolarHBondContact OG-CD2 2.75Å; S255-H277 PolarHBondContact OG-CE1 3.29Å; S255-H277 PolarHBondContact OG-NE2 3.02Å; S256-H277 PolarHBondContact O-CE1 2.88Å; H273-H277 PolarHBondContact O-N 3.12Å; H273-H277 VanDerWaalsContact O-N 3.09Å; H273-H277 PolarHBondContact O-ND1 3.26Å; V274-H277 PolarHBondContact O-N 3.15Å; V274-H277 VanDerWaalsContact O-N 3.13Å; D275-H277 PolarHBondContact O-N 3.08Å; H277-Q279 VanDerWaalsContact C-N 3.32Å; H277-Q279 PolarHBondContact O-N 3.46Å; H277-W280 PolarHBondContact O-N 3.5Å; H277-L281 WeakPolarHBondContact O-CG 3.31Å; H277-L281 PolarHBondContact O-N 3.27Å; H277-C324 WeakPolarHBondContact CE1-CB 3.4Å; H277-C324 PolarHBondContact CE1-SG 3Å; H277-C324 PolarHBondContact ND1-SG 2.94Å; H277-C324 WeakPolarHBondContact NE2-CB 3.31Å; H277-T327 HydrophobicContact CB-CG2 3.98Å
278L98.2Very high96.8Very high47 Ų4732.6 Ų32.625%0.24619%0.194CC..Hα-helixtrans-63.5-36.8174.6-71.3172000112.1V274 D275 N276 L281 K282 T327V274-L278 HydrophobicContact CG1-CD1 4.11Å; V274-L278 HydrophobicContact CG1-CG 4.37Å; V274-L278 WeakPolarHBondContact O-CG 3.47Å; V274-L278 PolarHBondContact O-N 3.35Å; D275-L278 PolarHBondContact O-N 3.14Å; N276-L278 VanDerWaalsContact C-N 3.34Å; N276-L278 PolarHBondContact O-N 3Å; L278-L281 HydrophobicContact CD2-CD1 4.42Å; L278-K282 WeakPolarHBondContact O-CG 3.49Å; L278-K282 PolarHBondContact O-N 2.76Å; L278-T327 HydrophobicContact CD2-CG2 3.75Å; L278-T327 HydrophobicContact CG-CG2 4.05Å
279Q98.3Very high96.4Very high36 Ų3637.7 Ų37.717%0.16824%0.236CC..Hα-helixtrans-71.8-38173.9-55.7-51.4-45.700112.2P229 L231 V233 D275 N276 H277 L281 K282 V283P229-Q279 VanDerWaalsContact O-CG 3.3Å; P229-Q279 WeakPolarHBondContact O-CG 3.1Å; L231-Q279 HydrophobicContact CD1-CB 4Å; L231-Q279 HydrophobicContact CD2-CB 3.42Å; L231-Q279 VanDerWaalsContact CD2-CB 3.42Å; L231-Q279 HydrophobicContact CD2-CG 4.31Å; L231-Q279 HydrophobicContact CG-CB 3.35Å; L231-Q279 HydrophobicContact CG-CG 3.99Å; V233-Q279 HydrophobicContact CG2-CB 4.42Å; D275-Q279 WeakPolarHBondContact O-CG 3.49Å; D275-Q279 PolarHBondContact O-N 3.26Å; D275-Q279 VanDerWaalsContact O-N 3.14Å; N276-Q279 PolarHBondContact O-N 3.34Å; H277-Q279 VanDerWaalsContact C-N 3.32Å; H277-Q279 PolarHBondContact O-N 3.46Å; Q279-L281 VanDerWaalsContact C-N 3.27Å; Q279-L281 PolarHBondContact O-N 3.22Å; Q279-K282 VanDerWaalsContact NE2-NZ 3.15Å; Q279-K282 WeakPolarHBondContact O-CA 3.49Å; Q279-K282 WeakPolarHBondContact O-CB 3.26Å; Q279-K282 PolarHBondContact O-N 2.92Å; Q279-V283 PolarHBondContact O-N 3.49Å
280W98.1Very high95.9Very high0 Ų038.1 Ų38.10%024%0.243CC..Hα-helixtrans-60-37.7173.9-88.9113.2000112.4W5 L224 D226 L231 T236 A253 A254 N276 H277 K282 V283 A284 I296W5-W280 HydrophobicContact CH2-CE3 4.24Å; W5-W280 HydrophobicContact CZ3-CB 4Å; L224-W280 HydrophobicContact CB-CH2 4.32Å; L224-W280 HydrophobicContact CD2-CH2 3.65Å; L224-W280 HydrophobicContact CD2-CZ2 4.15Å; L224-W280 WeakPolarHBondContact O-CH2 3.46Å; L224-W280 WeakPolarHBondContact O-CZ2 3.21Å; D226-W280 HydrophobicContact CB-CZ2 4.21Å; D226-W280 PolarHBondContact O-NE1 3.47Å; L231-W280 HydrophobicContact CD2-CD2 4.32Å; L231-W280 HydrophobicContact CD2-CG 4.05Å; T236-W280 HydrophobicContact CG2-CH2 4.09Å; T236-W280 HydrophobicContact CG2-CZ3 4.05Å; A253-W280 HydrophobicContact CB-CD2 4.3Å; A253-W280 HydrophobicContact CB-CE3 3.72Å; A253-W280 HydrophobicContact CB-CH2 3.73Å; A253-W280 HydrophobicContact CB-CZ2 4.34Å; A253-W280 HydrophobicContact CB-CZ3 3.41Å; A253-W280 VanDerWaalsContact CB-CZ3 3.41Å; A254-W280 WeakPolarHBondContact O-CZ2 3.3Å; A254-W280 PolarHBondContact O-NE1 3.49Å; N276-W280 PolarHBondContact O-N 2.79Å; H277-W280 PolarHBondContact O-N 3.5Å; W280-K282 VanDerWaalsContact C-N 3.32Å; W280-K282 PolarHBondContact O-N 3.49Å; W280-V283 HydrophobicContact CE3-CB 4.21Å; W280-V283 HydrophobicContact CE3-CG1 4.18Å; W280-V283 HydrophobicContact CZ3-CG1 4.15Å; W280-V283 WeakPolarHBondContact O-CB 3.22Å; W280-V283 PolarHBondContact O-N 2.76Å; W280-A284 WeakPolarHBondContact O-CB 3.29Å; W280-A284 PolarHBondContact O-N 2.83Å; W280-I296 HydrophobicContact CB-CD1 4.44Å; W280-I296 HydrophobicContact CG-CD1 4.44Å
281L97.4Very high95.6Very high22 Ų2238.7 Ų38.712%0.11525%0.246CC..Hα-helixtrans-62-38.6171.7-74.6165.8000112.4W5 H277 L278 Q279 A284 A285 T327 L328W5-L281 HydrophobicContact CB-CD2 4.25Å; W5-L281 HydrophobicContact CE3-CD2 4.2Å; H277-L281 WeakPolarHBondContact O-CG 3.31Å; H277-L281 PolarHBondContact O-N 3.27Å; L278-L281 HydrophobicContact CD2-CD1 4.42Å; Q279-L281 VanDerWaalsContact C-N 3.27Å; Q279-L281 PolarHBondContact O-N 3.22Å; L281-A284 PolarHBondContact O-N 3.19Å; L281-A285 WeakPolarHBondContact O-CB 3.02Å; L281-A285 PolarHBondContact O-N 3.42Å; L281-T327 HydrophobicContact CD1-CG2 3.83Å; L281-L328 HydrophobicContact CD2-CD2 4.2Å; L281-L328 HydrophobicContact CG-CD2 4.24Å
282K97.4Very high95.3Very high103 Ų10338.5 Ų38.545%0.44825%0.247SC..Hα-helixtrans-66-44.5173.9-64.5171.2-166.4166.50111.7V233 L278 Q279 W280 A284 A285 S286V233-K282 HydrophobicContact CG1-CB 4.17Å; V233-K282 HydrophobicContact CG2-CB 3.94Å; V233-K282 HydrophobicContact CG2-CD 4.31Å; L278-K282 WeakPolarHBondContact O-CG 3.49Å; L278-K282 PolarHBondContact O-N 2.76Å; Q279-K282 VanDerWaalsContact NE2-NZ 3.15Å; Q279-K282 WeakPolarHBondContact O-CA 3.49Å; Q279-K282 WeakPolarHBondContact O-CB 3.26Å; Q279-K282 PolarHBondContact O-N 2.92Å; W280-K282 VanDerWaalsContact C-N 3.32Å; W280-K282 PolarHBondContact O-N 3.49Å; K282-A284 VanDerWaalsContact C-N 3.3Å; K282-A284 PolarHBondContact O-N 3.13Å; K282-A285 PolarHBondContact O-N 2.79Å; K282-S286 WeakPolarHBondContact O-CB 3.45Å; K282-S286 PolarHBondContact O-N 2.66Å; K282-S286 PolarHBondContact O-OG 3.49Å
283V97.3Very high95.2Very high1 Ų137.2 Ų37.21%0.00624%0.239CC..Hα-helixtrans-53.2-53.6173.31710000109.2L231 V233 T236 V237 L240 Q279 W280 A285 S286 L287L231-V283 HydrophobicContact CD1-CG2 3.66Å; V233-V283 HydrophobicContact CB-CG2 4.23Å; V233-V283 HydrophobicContact CG1-CG2 3.93Å; V233-V283 HydrophobicContact CG2-CG2 4.24Å; T236-V283 HydrophobicContact CG2-CG1 3.86Å; T236-V283 HydrophobicContact CG2-CG2 3.87Å; V237-V283 HydrophobicContact CG2-CB 4.49Å; V237-V283 HydrophobicContact CG2-CG1 4.04Å; L240-V283 HydrophobicContact CD1-CG1 3.83Å; Q279-V283 PolarHBondContact O-N 3.49Å; W280-V283 HydrophobicContact CE3-CB 4.21Å; W280-V283 HydrophobicContact CE3-CG1 4.18Å; W280-V283 HydrophobicContact CZ3-CG1 4.15Å; W280-V283 WeakPolarHBondContact O-CB 3.22Å; W280-V283 PolarHBondContact O-N 2.76Å; V283-A285 VanDerWaalsContact C-N 3.29Å; V283-A285 PolarHBondContact O-N 3.47Å; V283-S286 PolarHBondContact O-N 3.37Å; V283-L287 HydrophobicContact CG1-CD1 4.45Å; V283-L287 HydrophobicContact CG1-CG 4.47Å; V283-L287 WeakPolarHBondContact O-CG 3.3Å; V283-L287 PolarHBondContact O-N 3.13Å; V283-L287 VanDerWaalsContact O-N 3.1Å
284A95.3Very high95.1Very high12 Ų1241.6 Ų41.610%0.09926%0.256CS..Hα-helixtrans-60.6-37-177.800000113.3W5 P6 W280 L281 K282 S286W5-A284 HydrophobicContact CE3-CB 4.16Å; W5-A284 HydrophobicContact CH2-CB 4.15Å; W5-A284 HydrophobicContact CZ3-CB 3.78Å; P6-A284 HydrophobicContact CG-CB 3.53Å; W280-A284 WeakPolarHBondContact O-CB 3.29Å; W280-A284 PolarHBondContact O-N 2.83Å; L281-A284 PolarHBondContact O-N 3.19Å; K282-A284 VanDerWaalsContact C-N 3.3Å; K282-A284 PolarHBondContact O-N 3.13Å; A284-S286 VanDerWaalsContact C-N 3.33Å
285A94.7Very high95Very high88 Ų8841.6 Ų41.673%0.72726%0.256SS*.Hα-helixtrans-71.2-25.617500000113.6L281 K282 V283L281-A285 WeakPolarHBondContact O-CB 3.02Å; L281-A285 PolarHBondContact O-N 3.42Å; K282-A285 PolarHBondContact O-N 2.79Å; V283-A285 VanDerWaalsContact C-N 3.29Å; V283-A285 PolarHBondContact O-N 3.47Å
286S95.5Very high95Very high68 Ų6839 Ų3948%0.47624%0.241SC..Hα-helixtrans-89.6-12179.5-69.20000114K282 V283 A284K282-S286 WeakPolarHBondContact O-CB 3.45Å; K282-S286 PolarHBondContact O-N 2.66Å; K282-S286 PolarHBondContact O-OG 3.49Å; V283-S286 PolarHBondContact O-N 3.37Å; A284-S286 VanDerWaalsContact C-N 3.33Å
287L92.8Very high95Very high25 Ų2539 Ų3913%0.13124%0.241CC..SBendtrans-70.2144.3-179.2-73169.5000112.7V237 L240 V283 I291 M293V237-L287 HydrophobicContact CB-CD2 4.48Å; V237-L287 HydrophobicContact CG1-CD2 4.2Å; V237-L287 HydrophobicContact CG2-CD2 4.33Å; L240-L287 HydrophobicContact CB-CD2 3.74Å; L240-L287 HydrophobicContact CD1-CD1 3.83Å; L240-L287 HydrophobicContact CD1-CD2 3.69Å; L240-L287 HydrophobicContact CD1-CG 4.29Å; L240-L287 HydrophobicContact CG-CD2 4.36Å; V283-L287 HydrophobicContact CG1-CD1 4.45Å; V283-L287 HydrophobicContact CG1-CG 4.47Å; V283-L287 WeakPolarHBondContact O-CG 3.3Å; V283-L287 PolarHBondContact O-N 3.13Å; V283-L287 VanDerWaalsContact O-N 3.1Å; L287-I291 HydrophobicContact CD2-CD1 3.77Å; L287-M293 HydrophobicContact CD1-CG 3.67Å; L287-M293 HydrophobicContact CD1-SD 3.75Å
288S89.2Confident95Very high57 Ų5739 Ų3940%0.39924%0.241SC..  trans-58.9138.2168.4176.10000111.5A290 I291S288-A290 PolarHBondContact O-N 3.42Å; S288-A290 PolarHBondContact OG-N 2.94Å; S288-I291 WeakPolarHBondContact O-CB 3.01Å; S288-I291 PolarHBondContact O-N 3.38Å
289A87.2Confident95.1Very high109 Ų10936.7 Ų36.790%0.90123%0.23SC*.THydrogen-bonded Turntrans-62-11.7176.200000114.1I291A289-I291 VanDerWaalsContact C-N 3.31Å
290A87.4Confident95.1Very high58 Ų5835 Ų3548%0.47922%0.222SC..THydrogen-bonded Turntrans-74.8-20.9173.400000113.1H244 S288H244-A290 PolarHBondContact CE1-O 2.91Å; S288-A290 PolarHBondContact O-N 3.42Å; S288-A290 PolarHBondContact OG-N 2.94Å
291I90.8Very high95Very high15 Ų1536.4 Ų36.48%0.07723%0.227CC..SBendtrans-83.1121.7179.8-63.3175.6000109L240 E241 H244 L251 L287 S288 A289 M293L240-I291 HydrophobicContact CB-CD1 4.49Å; E241-I291 HydrophobicContact CG-CD1 3.79Å; H244-I291 HydrophobicContact CB-CD1 4.21Å; H244-I291 HydrophobicContact CB-CG1 3.84Å; L251-I291 HydrophobicContact CD1-CG2 3.71Å; L251-I291 HydrophobicContact CG-CG2 4.33Å; L287-I291 HydrophobicContact CD2-CD1 3.77Å; S288-I291 WeakPolarHBondContact O-CB 3.01Å; S288-I291 PolarHBondContact O-N 3.38Å; A289-I291 VanDerWaalsContact C-N 3.31Å; I291-M293 HydrophobicContact CG2-CG 4.35Å; I291-M293 HydrophobicContact CG2-SD 4.09Å; I291-M293 PolarHBondContact O-N 3.47Å
292N92.5Very high94.9Very high72 Ų7235.6 Ų35.639%0.38522%0.223SC..EExtended strand (participates in β ladder)trans-90.594176.5-170.629000110.4S249 D250 L251 R294S249-N292 WeakPolarHBondContact O-CB 3.42Å; S249-N292 PolarHBondContact O-N 3.45Å; D250-N292 PolarHBondContact OD1-ND2 3.21Å; L251-N292 PolarHBondContact N-O 2.95Å; N292-R294 WeakPolarHBondContact ND2-CD 3.3Å; N292-R294 PolarHBondContact O-N 2.9Å
293M94.9Very high94.8Very high12 Ų1231.3 Ų31.36%0.05920%0.204CC..EExtended strand (participates in β ladder)trans-72107.5170.5-67.7-57.7-63.900109.6W5 K7 L240 L251 A253 L287 I291 G295W5-M293 HydrophobicContact CZ2-CE 4.23Å; K7-M293 VanDerWaalsContact O-O 3.07Å; L240-M293 HydrophobicContact CD1-SD 4.45Å; L251-M293 HydrophobicContact CB-SD 3.98Å; L251-M293 CarbonylContact O-C 3.53Å; L251-M293 WeakPolarHBondContact O-CA 3.44Å; A253-M293 HydrophobicContact CB-CE 3.79Å; L287-M293 HydrophobicContact CD1-CG 3.67Å; L287-M293 HydrophobicContact CD1-SD 3.75Å; I291-M293 HydrophobicContact CG2-CG 4.35Å; I291-M293 HydrophobicContact CG2-SD 4.09Å; I291-M293 PolarHBondContact O-N 3.47Å; M293-G295 VanDerWaalsContact C-N 3.3Å; M293-G295 PolarHBondContact O-N 3.3Å
294R96.6Very high94.7Very high93 Ų9335.6 Ų35.635%0.35122%0.221SC..EExtended strand (participates in β ladder)trans-72.5-25.6-179.1-63.7-65.1-72.7-164.8-2.9112.9G8 K9 D250 L251 W252 N292G8-R294 CarbonylContact C-O 3.6Å; G8-R294 WeakPolarHBondContact CA-O 3.46Å; K9-R294 PolarHBondContact N-O 2.94Å; D250-R294 HydrophobicContact CB-CG 3.78Å; D250-R294 WeakPolarHBondContact OD1-CD 3.49Å; D250-R294 IonicContact OD1-NH1 3.6Å; L251-R294 PolarHBondContact O-N 3.31Å; W252-R294 HydrophobicContact CD2-CB 3.72Å; W252-R294 HydrophobicContact CE3-CB 4.27Å; W252-R294 HydrophobicContact CG-CB 4.2Å; W252-R294 HydrophobicContact CH2-CB 4.08Å; W252-R294 HydrophobicContact CZ2-CB 3.5Å; W252-R294 VanDerWaalsContact CZ2-CB 3.5Å; W252-R294 HydrophobicContact CZ2-CG 4.41Å; W252-R294 HydrophobicContact CZ3-CB 4.44Å; N292-R294 WeakPolarHBondContact ND2-CD 3.3Å; N292-R294 PolarHBondContact O-N 2.9Å
295G96.8Very high94.6Very high0 Ų037.8 Ų37.80%023%0.23CC..EExtended strand (participates in β ladder)trans164.9-172.4179.700000113.7K9 A253 M293K9-G295 CarbonylContact O-C 3.55Å; K9-G295 WeakPolarHBondContact O-CA 3.38Å; A253-G295 PolarHBondContact N-O 3.23Å; M293-G295 VanDerWaalsContact C-N 3.3Å; M293-G295 PolarHBondContact O-N 3.3Å
296I98.5Very high94.6Very high0 Ų034.4 Ų34.40%020%0.2CC..EExtended strand (participates in β ladder)trans-130.9132.3173.9-174.8166.1000110W5 K9 K10 L11 A253 S255 W280 I298 L328W5-I296 HydrophobicContact CD2-CB 4.29Å; W5-I296 HydrophobicContact CD2-CD1 4.47Å; W5-I296 HydrophobicContact CD2-CG2 3.9Å; W5-I296 HydrophobicContact CE3-CD1 4.17Å; W5-I296 HydrophobicContact CG-CG2 4.15Å; W5-I296 HydrophobicContact CH2-CB 4.11Å; W5-I296 HydrophobicContact CH2-CD1 3.83Å; W5-I296 HydrophobicContact CH2-CG1 4.4Å; W5-I296 HydrophobicContact CZ2-CB 3.55Å; W5-I296 HydrophobicContact CZ2-CD1 4.16Å; W5-I296 HydrophobicContact CZ2-CG1 4.32Å; W5-I296 HydrophobicContact CZ2-CG2 4.07Å; W5-I296 HydrophobicContact CZ3-CD1 3.84Å; K9-I296 PolarHBondContact O-N 3.25Å; K10-I296 WeakPolarHBondContact CA-O 3.44Å; K10-I296 HydrophobicContact CG-CG2 4.05Å; L11-I296 PolarHBondContact N-O 2.63Å; A253-I296 HydrophobicContact CB-CB 4.17Å; A253-I296 HydrophobicContact CB-CD1 4.26Å; A253-I296 HydrophobicContact CB-CG1 3.97Å; A253-I296 CarbonylContact O-C 3.59Å; A253-I296 VanDerWaalsContact O-CA 3.25Å; A253-I296 WeakPolarHBondContact O-CA 3.44Å; S255-I296 WeakPolarHBondContact OG-CD1 3.42Å; W280-I296 HydrophobicContact CB-CD1 4.44Å; W280-I296 HydrophobicContact CG-CD1 4.44Å; I296-I298 HydrophobicContact CG2-CD1 4.27Å; I296-L328 HydrophobicContact CD1-CD1 4.36Å; I296-L328 HydrophobicContact CD1-CD2 4.29Å; I296-L328 HydrophobicContact CG2-CD1 3.81Å
297A98.8Very high94.5Very high0 Ų036.6 Ų36.60%021%0.205CC..EExtended strand (participates in β ladder)trans-91.8123.4165.800000109.5L11 L42 M223 A253 A254 S255 T299L11-A297 HydrophobicContact CB-CB 4.32Å; L11-A297 CarbonylContact O-C 3.3Å; L11-A297 WeakPolarHBondContact O-CA 3.28Å; L42-A297 HydrophobicContact CD2-CB 3.99Å; M223-A297 HydrophobicContact CE-CB 4.08Å; M223-A297 HydrophobicContact SD-CB 3.92Å; A253-A297 PolarHBondContact O-N 2.66Å; A254-A297 CarbonylContact C-O 3.55Å; A254-A297 VanDerWaalsContact CA-O 3.22Å; A254-A297 WeakPolarHBondContact CA-O 3.38Å; A254-A297 HydrophobicContact CB-CB 4.33Å; S255-A297 PolarHBondContact N-O 3.15Å; A297-T299 HydrophobicContact CB-CG2 4.35Å; A297-T299 PolarHBondContact O-N 2.91Å
298I98.6Very high94.6Very high0 Ų036.5 Ų36.50%021%0.207CC..EExtended strand (participates in β ladder)trans-91.296.3173.5-56.895.5000106.4K10 L11 H13 F257 I296 L321 C324 L325 L328K10-I298 HydrophobicContact CB-CD1 4.02Å; K10-I298 HydrophobicContact CG-CD1 4.5Å; L11-I298 VanDerWaalsContact O-CD1 3.3Å; L11-I298 WeakPolarHBondContact O-CD1 3.24Å; L11-I298 PolarHBondContact O-N 3.13Å; H13-I298 PolarHBondContact N-O 3.32Å; F257-I298 HydrophobicContact CB-CG2 3.77Å; F257-I298 HydrophobicContact CD1-CG2 3.75Å; F257-I298 WeakPolarHBondContact CD1-O 3.26Å; F257-I298 HydrophobicContact CG-CG2 4.16Å; I296-I298 HydrophobicContact CG2-CD1 4.27Å; I298-L321 HydrophobicContact CB-CD1 4.48Å; I298-L321 HydrophobicContact CG2-CD1 3.83Å; I298-C324 HydrophobicContact CG2-CB 4.25Å; I298-L325 HydrophobicContact CD1-CD2 3.8Å; I298-L325 HydrophobicContact CG1-CD2 4.44Å; I298-L328 HydrophobicContact CD1-CD1 3.99Å; I298-L328 HydrophobicContact CG1-CD1 3.97Å
299T98.7Very high94.9Very high0 Ų035.7 Ų35.70%020%0.199CC..EExtended strand (participates in β ladder)trans-79.8141.5-168.368.20000113.5H13 W199 Y227 A254 S255 S256 F257 A297 W301H13-T299 VanDerWaalsContact CB-CA 3.49Å; H13-T299 HydrophobicContact CB-CG2 4.21Å; W199-T299 HydrophobicContact CH2-CG2 4.2Å; Y227-T299 HydrophobicContact CE1-CG2 4.37Å; Y227-T299 VanDerWaalsContact CE1-OG1 3.3Å; Y227-T299 WeakPolarHBondContact CE1-OG1 3.47Å; A254-T299 HydrophobicContact CB-CG2 4.11Å; S255-T299 WeakPolarHBondContact O-CB 3.06Å; S255-T299 PolarHBondContact O-N 3.13Å; S255-T299 PolarHBondContact O-OG1 2.84Å; S256-T299 CarbonylContact C-O 3.29Å; S256-T299 WeakPolarHBondContact CA-O 3.22Å; F257-T299 VanDerWaalsContact CD1-C 3.47Å; F257-T299 WeakPolarHBondContact CD1-O 3.39Å; F257-T299 PolarHBondContact N-O 3.5Å; A297-T299 HydrophobicContact CB-CG2 4.35Å; A297-T299 PolarHBondContact O-N 2.91Å; T299-W301 PolarHBondContact OG1-NE1 2.94Å
300G98.1Very high95.4Very high1 Ų130.8 Ų30.81%0.0116%0.158CC..EExtended strand (participates in β ladder)trans-137.585.4175.300000111.6
301W97.6Very high95.7Very high29 Ų2928 Ų2811%0.1114%0.135CC..  trans-71.3137.9-179-56.4109.2000111.3H13 E44 W199 Y227 K258 G259 T299H13-W301 AromaticContact CE1-CE3 3.58Å; H13-W301 AromaticContact CE1-CH2 3.9Å; H13-W301 AromaticContact CE1-CZ3 3.48Å; H13-W301 VanDerWaalsContact CE1-CZ3 3.48Å; H13-W301 WeakPolarHBondContact CE1-CZ3 3.5Å; E44-W301 VanDerWaalsContact OE2-CZ3 3.27Å; E44-W301 WeakPolarHBondContact OE2-CZ3 3.38Å; W199-W301 AromaticContact CZ2-CH2 3.98Å; W199-W301 HydrophobicContact CZ2-CH2 3.98Å; W199-W301 HydrophobicContact CZ2-CZ2 4.12Å; Y227-W301 AromaticContact CE2-NE1 3.32Å; Y227-W301 VanDerWaalsContact CE2-NE1 3.32Å; Y227-W301 AromaticContact CZ-NE1 3.43Å; Y227-W301 WeakPolarHBondContact OH-CZ2 3.48Å; Y227-W301 PolarHBondContact OH-NE1 3.23Å; K258-W301 PolarHBondContact NZ-O 3.2Å; G259-W301 WeakPolarHBondContact CA-O 3.46Å; T299-W301 PolarHBondContact OG1-NE1 2.94Å
302Q95.3Very high96Very high4 Ų427.4 Ų27.42%0.01913%0.132CC..SBendtrans-84.5-26.1173.8-61.9-64.3900112.5D15 L310 C311D15-Q302 HydrophobicContact CB-CG 3.99Å; D15-Q302 WeakPolarHBondContact O-CG 3.49Å; D15-Q302 PolarHBondContact O-NE2 2.9Å; D15-Q302 PolarHBondContact OD2-N 2.7Å; Q302-L310 HydrophobicContact CB-CD2 4.22Å; Q302-L310 CarbonylContact O-C 3.52Å; Q302-L310 WeakPolarHBondContact O-CA 3.44Å; Q302-C311 PolarHBondContact O-N 2.64Å
303R95.1Very high96.2Very high14 Ų1424.2 Ų24.25%0.05312%0.115CC..  trans-163.5159.5-178.961.217972-142.31.4108.5K17 G18 D305 S308 V309 L310 E450K17-R303 HydrophobicContact CD-CG 3.96Å; K17-R303 HydrophobicContact CG-CG 3.75Å; G18-R303 VanDerWaalsContact CA-NH2 3.34Å; R303-D305 WeakPolarHBondContact CD-O 3.35Å; R303-D305 WeakPolarHBondContact CG-O 3.24Å; R303-S308 WeakPolarHBondContact CB-OG 3.41Å; R303-S308 WeakPolarHBondContact CD-O 3.35Å; R303-S308 PolarHBondContact NH1-O 3.04Å; R303-V309 VanDerWaalsContact CB-O 3.25Å; R303-V309 WeakPolarHBondContact CB-O 3.2Å; R303-L310 VanDerWaalsContact NH2-CG 3.29Å; R303-E450 IonicContact CZ-OE1 2.75Å; R303-E450 IonicContact CZ-OE2 3.79Å; R303-E450 IonicContact NH1-OE1 3.66Å; R303-E450 PolarHBondContact NH1-OE1 3.03Å; R303-E450 IonicContact NH1-OE2 2.81Å; R303-E450 IonicContact NH2-OE1 3.16Å; R303-E450 PolarHBondContact NH2-OE1 2.75Å; R303-E450 IonicContact NH2-OE2 3.51Å; R303-E450 PolarHBondContact NH2-OE2 3.34Å
304Y93.9Very high96.3Very high91 Ų9123.7 Ų23.736%0.35711%0.112SC..SBendtrans-78.3-33.8-173.7-86.455000112.8V263 S308V263-Y304 HydrophobicContact CB-CD1 4.26Å; V263-Y304 HydrophobicContact CB-CE1 4.38Å; V263-Y304 HydrophobicContact CB-CG 4.48Å; V263-Y304 HydrophobicContact CG1-CD1 3.94Å; V263-Y304 HydrophobicContact CG1-CD2 3.7Å; V263-Y304 HydrophobicContact CG1-CE1 4.04Å; V263-Y304 HydrophobicContact CG1-CE2 3.79Å; V263-Y304 HydrophobicContact CG1-CG 3.77Å; Y304-S308 PolarHBondContact N-OG 3.1Å
305D93.3Very high96.3Very high57 Ų5719.3 Ų19.331%0.30510%0.096SC..SBendtrans-142.217016968.356.7000109.3R303 L307 S308R303-D305 WeakPolarHBondContact CD-O 3.35Å; R303-D305 WeakPolarHBondContact CG-O 3.24Å; D305-L307 PolarHBondContact O-N 3Å; D305-L307 WeakPolarHBondContact OD1-CA 3.43Å; D305-L307 WeakPolarHBondContact OD1-CB 3.39Å; D305-L307 PolarHBondContact OD1-N 2.97Å; D305-S308 PolarHBondContact N-OG 3.45Å; D305-S308 PolarHBondContact O-N 3.42Å; D305-S308 PolarHBondContact O-OG 3.28Å; D305-S308 PolarHBondContact OD1-N 3.26Å
306H94.9Very high96.3Very high18 Ų1819.4 Ų19.48%0.08310%0.096CC..THydrogen-bonded Turntrans-56-25.3-176.5-169.370.7000114.9E46 D47 E96 F97 K100E46-H306 IonicContact OE2-CE1 2.87Å; E46-H306 IonicContact OE2-CG 3.39Å; E46-H306 IonicContact OE2-ND1 3.93Å; E46-H306 PolarHBondContact OE2-ND1 3.1Å; D47-H306 VanDerWaalsContact CG-CE1 3.47Å; D47-H306 IonicContact OD1-CE1 2.83Å; D47-H306 IonicContact OD2-CE1 3.01Å; D47-H306 PolarHBondContact OD2-CE1 3.23Å; D47-H306 IonicContact OD2-NE2 2.81Å; E96-H306 HydrophobicContact CB-CB 3.5Å; E96-H306 HydrophobicContact CG-CB 4.33Å; F97-H306 WeakPolarHBondContact CB-CE1 3.38Å; F97-H306 WeakPolarHBondContact CB-ND1 3.41Å; K100-H306 PolarHBondContact NZ-NE2 3.17Å
307L93.6Very high96.3Very high113 Ų11319.4 Ų19.459%0.59210%0.096SC*.THydrogen-bonded Turntrans-101.4-20.3-177.2-59.9-170.9000113.9I114 D305I114-L307 HydrophobicContact CD1-CD1 3.46Å; I114-L307 VanDerWaalsContact CD1-CD1 3.46Å; I114-L307 HydrophobicContact CD1-CG 4.09Å; D305-L307 PolarHBondContact O-N 3Å; D305-L307 WeakPolarHBondContact OD1-CA 3.43Å; D305-L307 WeakPolarHBondContact OD1-CB 3.39Å; D305-L307 PolarHBondContact OD1-N 2.97Å
308S95.2Very high96.2Very high24 Ų2419.4 Ų19.417%0.16810%0.096CC..SBendtrans-64.5158.117865.20000112R303 Y304 D305R303-S308 WeakPolarHBondContact CB-OG 3.41Å; R303-S308 WeakPolarHBondContact CD-O 3.35Å; R303-S308 PolarHBondContact NH1-O 3.04Å; Y304-S308 PolarHBondContact N-OG 3.1Å; D305-S308 PolarHBondContact N-OG 3.45Å; D305-S308 PolarHBondContact O-N 3.42Å; D305-S308 PolarHBondContact O-OG 3.28Å; D305-S308 PolarHBondContact OD1-N 3.26Å
309V95.6Very high96.2Very high39 Ų3919.4 Ų19.424%0.23610%0.096CC..PPolyproline II helixtrans-67.5161.8-179.8-610000112.1D264 R303 E454D264-V309 HydrophobicContact CB-CG2 4.4Å; R303-V309 VanDerWaalsContact CB-O 3.25Å; R303-V309 WeakPolarHBondContact CB-O 3.2Å; V309-E454 HydrophobicContact CB-CG 4.2Å; V309-E454 HydrophobicContact CG1-CG 4.12Å
310L96.5Very high96.2Very high6 Ų619.4 Ų19.43%0.03110%0.097CC..PPolyproline II helixtrans-62.9140.2172-68.7170.2000111.8A19 Q302 R303 L313 T447 E450A19-L310 HydrophobicContact CB-CD1 4.03Å; A19-L310 HydrophobicContact CB-CD2 3.52Å; A19-L310 HydrophobicContact CB-CG 4.44Å; Q302-L310 HydrophobicContact CB-CD2 4.22Å; Q302-L310 CarbonylContact O-C 3.52Å; Q302-L310 WeakPolarHBondContact O-CA 3.44Å; R303-L310 VanDerWaalsContact NH2-CG 3.29Å; L310-L313 HydrophobicContact CD1-CD2 4.28Å; L310-T447 HydrophobicContact CD1-CG2 3.98Å; L310-E450 HydrophobicContact CD1-CB 4.47Å; L310-E450 HydrophobicContact CD1-CG 4.24Å; L310-E450 WeakPolarHBondContact CD1-OE2 3.42Å
311C95.3Very high96.2Very high1 Ų119.4 Ų19.41%0.00710%0.096CC..  trans-127.8142.4168.663.20000111K258 T265 Q302K258-C311 PolarHBondContact NZ-O 3.45Å; T265-C311 CarbonylContact O-C 3.58Å; T265-C311 WeakPolarHBondContact O-CA 3.35Å; Q302-C311 PolarHBondContact O-N 2.64Å
312E96Very high96.3Very high2 Ų218 Ų181%0.0099%0.091CC..SBendtrans44.975.8169.4-60.3-177.871.500113.3K258 G259 T265 T268 H273 L314K258-E312 HydrophobicContact CB-CB 3.95Å; K258-E312 VanDerWaalsContact CD-O 3.26Å; K258-E312 WeakPolarHBondContact CD-O 3.47Å; K258-E312 WeakPolarHBondContact CE-O 3.47Å; K258-E312 PolarHBondContact NZ-O 3.12Å; G259-E312 WeakPolarHBondContact CA-OE2 3.45Å; G259-E312 PolarHBondContact N-OE2 2.94Å; T265-E312 HydrophobicContact CG2-CG 3.56Å; T265-E312 WeakPolarHBondContact O-CG 3.39Å; T265-E312 PolarHBondContact O-N 3.4Å; T268-E312 WeakPolarHBondContact CA-OE1 3.34Å; T268-E312 WeakPolarHBondContact CB-OE1 3.38Å; T268-E312 WeakPolarHBondContact CG2-OE1 3.41Å; T268-E312 PolarHBondContact OG1-OE1 3.36Å; H273-E312 IonicContact NE2-OE1 3.52Å; E312-L314 PolarHBondContact O-N 3.26Å
313L97Very high96.4Very high4 Ų417.8 Ų17.82%0.0219%0.09CC..  trans-56.8143.7-179.5-68.8-179000111.8A19 L310 V316 A317 I374 M439 W451A19-L313 HydrophobicContact CB-CD2 3.91Å; L310-L313 HydrophobicContact CD1-CD2 4.28Å; L313-V316 WeakPolarHBondContact O-CB 3.45Å; L313-V316 PolarHBondContact O-N 3Å; L313-A317 PolarHBondContact O-N 3.38Å; L313-I374 HydrophobicContact CD1-CD1 4.02Å; L313-M439 HydrophobicContact CD1-CE 3.52Å; L313-M439 HydrophobicContact CD1-SD 4.17Å; L313-W451 HydrophobicContact CD1-CG 4.35Å
314L97.3Very high96.6Very high2 Ų217.1 Ų17.11%0.019%0.088CC..Hα-helixtrans-50.1-46.1-171.3-175.162.5000115L14 P21 L29 F257 K258 E312 V316 A317 L318 Y443L14-L314 HydrophobicContact CD2-CD2 4.25Å; P21-L314 HydrophobicContact CG-CD2 4.31Å; L29-L314 HydrophobicContact CD1-CD2 3.4Å; L29-L314 VanDerWaalsContact CD1-CD2 3.4Å; L29-L314 HydrophobicContact CD2-CD2 4Å; L29-L314 HydrophobicContact CD2-CG 4.39Å; L29-L314 HydrophobicContact CG-CD2 4.32Å; F257-L314 HydrophobicContact CE2-CD1 3.72Å; F257-L314 HydrophobicContact CZ-CD1 3.69Å; K258-L314 HydrophobicContact CD-CD1 4.3Å; E312-L314 PolarHBondContact O-N 3.26Å; L314-V316 VanDerWaalsContact C-N 3.27Å; L314-V316 PolarHBondContact O-N 3.42Å; L314-A317 PolarHBondContact O-N 3.23Å; L314-L318 HydrophobicContact CD1-CD2 4.03Å; L314-L318 HydrophobicContact CG-CD2 4.13Å; L314-L318 WeakPolarHBondContact O-CG 3.47Å; L314-L318 PolarHBondContact O-N 3.14Å; L314-L318 VanDerWaalsContact O-N 3.17Å; L314-Y443 WeakPolarHBondContact CB-OH 3.45Å; L314-Y443 PolarHBondContact N-OH 2.87Å
315P96.9Very high96.8Very high0 Ų012.8 Ų12.80%07%0.071CC..Hα-helixtrans-54.4-41.1175.9-15.514.5000113.5Y25 A317 L318 F365 L370 A371 L442 Y443Y25-P315 HydrophobicContact CE1-CG 4.21Å; Y25-P315 VanDerWaalsContact OH-CG 3.31Å; Y25-P315 WeakPolarHBondContact OH-CG 3.27Å; P315-A317 PolarHBondContact O-N 3.35Å; P315-L318 PolarHBondContact O-N 3.44Å; P315-F365 WeakPolarHBondContact O-CE2 3.26Å; P315-F365 WeakPolarHBondContact O-CZ 3.42Å; P315-L370 HydrophobicContact CG-CD2 4.1Å; P315-A371 HydrophobicContact CB-CB 4.29Å; P315-L442 HydrophobicContact CG-CD1 4.01Å; P315-Y443 WeakPolarHBondContact CD-OH 3.19Å; P315-Y443 HydrophobicContact CG-CE2 4.1Å
316V96.5Very high97Very high2 Ų210.7 Ų10.71%0.0126%0.059CC..Hα-helixtrans-66.5-29.5-178.8-171.30000111V267 L313 L314 I352 A371 I374V267-V316 HydrophobicContact CG1-CG1 4.21Å; L313-V316 WeakPolarHBondContact O-CB 3.45Å; L313-V316 PolarHBondContact O-N 3Å; L314-V316 VanDerWaalsContact C-N 3.27Å; L314-V316 PolarHBondContact O-N 3.42Å; V316-I352 HydrophobicContact CG1-CG2 4.1Å; V316-A371 HydrophobicContact CG2-CB 4.32Å; V316-I374 HydrophobicContact CG2-CB 4.14Å; V316-I374 HydrophobicContact CG2-CD1 3.74Å; V316-I374 HydrophobicContact CG2-CG2 3.89Å
317A97.8Very high97.1Very high0 Ų09.9 Ų9.90%06%0.055CC..Hα-helixtrans-93.3-4.7-177.200000115.5F257 K258 T268 L313 L314 P315 S320 L321F257-A317 HydrophobicContact CD2-CB 3.99Å; F257-A317 HydrophobicContact CE2-CB 3.96Å; K258-A317 HydrophobicContact CB-CB 3.56Å; K258-A317 HydrophobicContact CD-CB 3.56Å; K258-A317 HydrophobicContact CG-CB 4.06Å; T268-A317 HydrophobicContact CG2-CB 4.37Å; L313-A317 PolarHBondContact O-N 3.38Å; L314-A317 PolarHBondContact O-N 3.23Å; P315-A317 PolarHBondContact O-N 3.35Å; A317-S320 WeakPolarHBondContact O-CA 3.38Å; A317-S320 VanDerWaalsContact O-CB 3.3Å; A317-S320 WeakPolarHBondContact O-CB 3.47Å; A317-S320 PolarHBondContact O-N 2.81Å; A317-S320 VanDerWaalsContact O-N 3.1Å; A317-L321 PolarHBondContact O-N 2.82Å
318L97.9Very high97.2Very high0 Ų04.5 Ų4.50%03%0.027CC..Hα-helixtrans-60.5-37.8-178.6-67.6-172.9000114.4L29 L32 F33 L314 P315 S320 L321 A322 F365 P366L29-L318 HydrophobicContact CD2-CD1 3.77Å; L29-L318 HydrophobicContact CD2-CD2 3.83Å; L29-L318 HydrophobicContact CD2-CG 4.4Å; L32-L318 HydrophobicContact CD2-CD1 3.85Å; L32-L318 HydrophobicContact CD2-CD2 4.36Å; F33-L318 HydrophobicContact CE1-CD2 4.25Å; L314-L318 HydrophobicContact CD1-CD2 4.03Å; L314-L318 HydrophobicContact CG-CD2 4.13Å; L314-L318 WeakPolarHBondContact O-CG 3.47Å; L314-L318 PolarHBondContact O-N 3.14Å; L314-L318 VanDerWaalsContact O-N 3.17Å; P315-L318 PolarHBondContact O-N 3.44Å; L318-S320 VanDerWaalsContact C-N 3.31Å; L318-S320 PolarHBondContact O-N 3.22Å; L318-L321 HydrophobicContact CD2-CD2 4.28Å; L318-L321 PolarHBondContact O-N 3.19Å; L318-A322 WeakPolarHBondContact O-CB 3.36Å; L318-A322 PolarHBondContact O-N 3.1Å; L318-F365 HydrophobicContact CB-CD2 4.18Å; L318-F365 HydrophobicContact CB-CE2 3.77Å; L318-F365 HydrophobicContact CB-CZ 4.42Å; L318-F365 HydrophobicContact CD1-CD2 3.77Å; L318-F365 HydrophobicContact CD1-CE2 3.71Å; L318-F365 HydrophobicContact CG-CE2 4.12Å; L318-P366 WeakPolarHBondContact CD1-O 3.39Å
319P97.8Very high97.2Very high0 Ų05.5 Ų5.50%03%0.031CC..Hα-helixtrans-62.2-37.9172.4-24.536.9000112.9S323 L345 V350 I352 M355 F365P319-S323 WeakPolarHBondContact O-CB 3.42Å; P319-S323 PolarHBondContact O-N 3.17Å; P319-S323 PolarHBondContact O-OG 3.21Å; P319-L345 HydrophobicContact CB-CD1 4.39Å; P319-L345 HydrophobicContact CG-CD1 4.44Å; P319-V350 WeakPolarHBondContact CB-O 3.47Å; P319-I352 HydrophobicContact CG-CD1 4.09Å; P319-M355 HydrophobicContact CB-CE 3.9Å; P319-M355 HydrophobicContact CG-CE 3.32Å; P319-F365 HydrophobicContact CG-CE1 4.11Å; P319-F365 HydrophobicContact CG-CZ 4.21Å
320S98.7Very high97.1Very high1 Ų16.4 Ų6.41%0.0073%0.032CC..Hα-helixtrans-61.5-51.6173.4177.10000110.6F257 T270 A317 L318 A322 S323 C324F257-S320 WeakPolarHBondContact O-CB 3.12Å; F257-S320 PolarHBondContact O-OG 2.98Å; T270-S320 WeakPolarHBondContact OG1-CA 3.24Å; T270-S320 PolarHBondContact OG1-N 3.12Å; A317-S320 WeakPolarHBondContact O-CA 3.38Å; A317-S320 VanDerWaalsContact O-CB 3.3Å; A317-S320 WeakPolarHBondContact O-CB 3.47Å; A317-S320 PolarHBondContact O-N 2.81Å; A317-S320 VanDerWaalsContact O-N 3.1Å; L318-S320 VanDerWaalsContact C-N 3.31Å; L318-S320 PolarHBondContact O-N 3.22Å; S320-A322 PolarHBondContact O-N 3.29Å; S320-S323 WeakPolarHBondContact O-CB 3.24Å; S320-S323 PolarHBondContact O-N 3.48Å; S320-S323 VanDerWaalsContact O-N 3.07Å; S320-C324 WeakPolarHBondContact O-CB 3.08Å; S320-C324 PolarHBondContact O-N 3.35Å; S320-C324 PolarHBondContact O-SG 2.92Å
321L98.8Very high97Very high0 Ų07.7 Ų7.70%05%0.046CC..Hα-helixtrans-54.3-49.2177.1177.558.2000112.7V12 F33 F257 I298 A317 L318 S323 C324 L325V12-L321 HydrophobicContact CG1-CD1 4.33Å; V12-L321 HydrophobicContact CG1-CD2 4.1Å; V12-L321 HydrophobicContact CG2-CD1 3.93Å; V12-L321 HydrophobicContact CG2-CD2 4.4Å; F33-L321 HydrophobicContact CD1-CD2 3.8Å; F33-L321 HydrophobicContact CE1-CD2 3.31Å; F33-L321 HydrophobicContact CZ-CD2 4.05Å; F257-L321 HydrophobicContact CB-CB 4.25Å; F257-L321 HydrophobicContact CB-CD1 4.25Å; F257-L321 HydrophobicContact CD1-CD1 3.85Å; F257-L321 HydrophobicContact CD2-CB 3.54Å; F257-L321 HydrophobicContact CD2-CD1 4.24Å; F257-L321 HydrophobicContact CD2-CG 4.33Å; F257-L321 HydrophobicContact CE1-CD1 4.15Å; F257-L321 HydrophobicContact CE2-CB 3.92Å; F257-L321 HydrophobicContact CE2-CD2 4.29Å; F257-L321 HydrophobicContact CE2-CG 4.47Å; F257-L321 HydrophobicContact CG-CB 3.92Å; F257-L321 HydrophobicContact CG-CD1 3.86Å; F257-L321 HydrophobicContact CG-CG 4.42Å; F257-L321 HydrophobicContact CZ-CD1 4.48Å; F257-L321 HydrophobicContact CZ-CD2 4.33Å; I298-L321 HydrophobicContact CB-CD1 4.48Å; I298-L321 HydrophobicContact CG2-CD1 3.83Å; A317-L321 PolarHBondContact O-N 2.82Å; L318-L321 HydrophobicContact CD2-CD2 4.28Å; L318-L321 PolarHBondContact O-N 3.19Å; L321-S323 VanDerWaalsContact C-N 3.29Å; L321-S323 PolarHBondContact O-N 3.34Å; L321-C324 WeakPolarHBondContact O-CB 3.31Å; L321-C324 PolarHBondContact O-N 3.07Å; L321-L325 HydrophobicContact CD1-CD1 3.92Å; L321-L325 HydrophobicContact CD1-CG 4.24Å; L321-L325 HydrophobicContact CG-CD1 4.03Å; L321-L325 WeakPolarHBondContact O-CG 3.34Å; L321-L325 PolarHBondContact O-N 3.38Å
322A98.4Very high97Very high0 Ų013 Ų130%07%0.071CC..Hα-helixtrans-62-39.9179.300000111.5L36 L318 S320 L325 Q326 V341 L345L36-A322 HydrophobicContact CD1-CB 4.1Å; L36-A322 HydrophobicContact CD2-CB 3.72Å; L318-A322 WeakPolarHBondContact O-CB 3.36Å; L318-A322 PolarHBondContact O-N 3.1Å; S320-A322 PolarHBondContact O-N 3.29Å; A322-L325 PolarHBondContact O-N 2.93Å; A322-Q326 WeakPolarHBondContact O-CB 3.45Å; A322-Q326 WeakPolarHBondContact O-CG 3.48Å; A322-Q326 PolarHBondContact O-N 3.43Å; A322-V341 HydrophobicContact CB-CG1 3.72Å; A322-V341 HydrophobicContact CB-CG2 4.23Å; A322-L345 HydrophobicContact CB-CD1 3.9Å; A322-L345 HydrophobicContact CB-CG 4.43Å
323S98.7Very high97Very high0 Ų014.1 Ų14.10%08%0.076CC..Hα-helixtrans-67.1-41.6177.2-59.30000112.9P319 S320 L321 Q326 T327 F333P319-S323 WeakPolarHBondContact O-CB 3.42Å; P319-S323 PolarHBondContact O-N 3.17Å; P319-S323 PolarHBondContact O-OG 3.21Å; S320-S323 WeakPolarHBondContact O-CB 3.24Å; S320-S323 PolarHBondContact O-N 3.48Å; S320-S323 VanDerWaalsContact O-N 3.07Å; L321-S323 VanDerWaalsContact C-N 3.29Å; L321-S323 PolarHBondContact O-N 3.34Å; S323-Q326 PolarHBondContact O-N 3.36Å; S323-T327 WeakPolarHBondContact O-CB 3.2Å; S323-T327 PolarHBondContact O-N 3.24Å; S323-T327 PolarHBondContact O-OG1 3.47Å; S323-F333 WeakPolarHBondContact OG-CZ 3.49Å
324C98.6Very high97Very high0 Ų015 Ų150%08%0.083CC..Hα-helixtrans-59.6-47.8172.7-71.90000111.8H277 I298 S320 L321 T327 L328H277-C324 WeakPolarHBondContact CE1-CB 3.4Å; H277-C324 PolarHBondContact CE1-SG 3Å; H277-C324 PolarHBondContact ND1-SG 2.94Å; H277-C324 WeakPolarHBondContact NE2-CB 3.31Å; I298-C324 HydrophobicContact CG2-CB 4.25Å; S320-C324 WeakPolarHBondContact O-CB 3.08Å; S320-C324 PolarHBondContact O-N 3.35Å; S320-C324 PolarHBondContact O-SG 2.92Å; L321-C324 WeakPolarHBondContact O-CB 3.31Å; L321-C324 PolarHBondContact O-N 3.07Å; C324-T327 WeakPolarHBondContact O-CB 3.41Å; C324-T327 PolarHBondContact O-N 2.98Å; C324-L328 WeakPolarHBondContact O-CG 3.43Å; C324-L328 PolarHBondContact O-N 3.1Å
325L97.9Very high96.9Very high0 Ų020.2 Ų20.20%011%0.114CC..Hα-helixtrans-64.6-42.4177.5-74.8167.2000112.3K10 V12 L36 V38 I298 L321 A322 T327 L328 N329K10-L325 HydrophobicContact CB-CD2 4.29Å; K10-L325 HydrophobicContact CD-CD2 4.34Å; V12-L325 HydrophobicContact CG2-CD1 4.43Å; L36-L325 HydrophobicContact CB-CD1 3.73Å; L36-L325 HydrophobicContact CD1-CD1 4.06Å; L36-L325 HydrophobicContact CG-CD1 4.47Å; V38-L325 HydrophobicContact CG2-CD1 3.58Å; V38-L325 HydrophobicContact CG2-CD2 4.09Å; I298-L325 HydrophobicContact CD1-CD2 3.8Å; I298-L325 HydrophobicContact CG1-CD2 4.44Å; L321-L325 HydrophobicContact CD1-CD1 3.92Å; L321-L325 HydrophobicContact CD1-CG 4.24Å; L321-L325 HydrophobicContact CG-CD1 4.03Å; L321-L325 WeakPolarHBondContact O-CG 3.34Å; L321-L325 PolarHBondContact O-N 3.38Å; A322-L325 PolarHBondContact O-N 2.93Å; L325-T327 VanDerWaalsContact C-N 3.34Å; L325-L328 PolarHBondContact O-N 3.45Å; L325-N329 WeakPolarHBondContact O-CB 3.25Å; L325-N329 PolarHBondContact O-N 3.33Å; L325-N329 PolarHBondContact O-ND2 3.42Å
326Q96.8Very high96.8Very high13 Ų1325.3 Ų25.36%0.06114%0.138CC..Hα-helixtrans-66.9-36175.7-69.1-56.2-55.200111.9A322 S323 L328 N329 H330 A337 V341A322-Q326 WeakPolarHBondContact O-CB 3.45Å; A322-Q326 WeakPolarHBondContact O-CG 3.48Å; A322-Q326 PolarHBondContact O-N 3.43Å; S323-Q326 PolarHBondContact O-N 3.36Å; Q326-L328 VanDerWaalsContact C-N 3.33Å; Q326-L328 PolarHBondContact O-N 2.96Å; Q326-N329 PolarHBondContact O-N 3.3Å; Q326-H330 WeakPolarHBondContact O-CB 3.37Å; Q326-H330 PolarHBondContact O-CD2 3.25Å; Q326-H330 VanDerWaalsContact O-CD2 3.24Å; Q326-H330 PolarHBondContact O-N 2.68Å; Q326-H330 PolarHBondContact OE1-CD2 3.43Å; Q326-H330 PolarHBondContact OE1-NE2 3.28Å; Q326-A337 HydrophobicContact CB-CB 4.12Å; Q326-V341 HydrophobicContact CB-CG2 3.98Å; Q326-V341 HydrophobicContact CG-CG2 3.56Å
327T97.6Very high96.8Very high0 Ų025.2 Ų25.20%014%0.138CC..Hα-helixtrans-56.5-47.6171.4-58.80000110.9H277 L278 L281 S323 C324 L325 N329 H330 G331 E332 F333H277-T327 HydrophobicContact CB-CG2 3.98Å; L278-T327 HydrophobicContact CD2-CG2 3.75Å; L278-T327 HydrophobicContact CG-CG2 4.05Å; L281-T327 HydrophobicContact CD1-CG2 3.83Å; S323-T327 WeakPolarHBondContact O-CB 3.2Å; S323-T327 PolarHBondContact O-N 3.24Å; S323-T327 PolarHBondContact O-OG1 3.47Å; C324-T327 WeakPolarHBondContact O-CB 3.41Å; C324-T327 PolarHBondContact O-N 2.98Å; L325-T327 VanDerWaalsContact C-N 3.34Å; T327-N329 PolarHBondContact O-N 2.63Å; T327-H330 PolarHBondContact O-N 3.25Å; T327-G331 WeakPolarHBondContact O-CA 3.3Å; T327-G331 PolarHBondContact O-N 2.94Å; T327-E332 PolarHBondContact O-N 3.18Å; T327-F333 WeakPolarHBondContact OG1-CB 3.35Å; T327-F333 WeakPolarHBondContact OG1-CD2 3.5Å
328L96.9Very high96.7Very high1 Ų130.2 Ų30.21%0.00516%0.157CC..Hα-helixtrans-64.6-37.7176.7-65.1175.2000112.7P4 W5 K10 L281 I296 I298 C324 L325 Q326P4-L328 CarbonylContact C-O 3.43Å; P4-L328 WeakPolarHBondContact CA-O 3.36Å; P4-L328 WeakPolarHBondContact CB-O 3.49Å; W5-L328 HydrophobicContact CB-CB 4.02Å; W5-L328 HydrophobicContact CB-CD2 4.04Å; W5-L328 HydrophobicContact CD2-CD2 4.08Å; W5-L328 HydrophobicContact CE3-CD2 3.66Å; W5-L328 HydrophobicContact CG-CD2 4.25Å; W5-L328 PolarHBondContact N-O 2.84Å; K10-L328 HydrophobicContact CD-CB 4.47Å; K10-L328 HydrophobicContact CD-CD1 4.5Å; K10-L328 HydrophobicContact CG-CD1 4.33Å; L281-L328 HydrophobicContact CD2-CD2 4.2Å; L281-L328 HydrophobicContact CG-CD2 4.24Å; I296-L328 HydrophobicContact CD1-CD1 4.36Å; I296-L328 HydrophobicContact CD1-CD2 4.29Å; I296-L328 HydrophobicContact CG2-CD1 3.81Å; I298-L328 HydrophobicContact CD1-CD1 3.99Å; I298-L328 HydrophobicContact CG1-CD1 3.97Å; C324-L328 WeakPolarHBondContact O-CG 3.43Å; C324-L328 PolarHBondContact O-N 3.1Å; L325-L328 PolarHBondContact O-N 3.45Å; Q326-L328 VanDerWaalsContact C-N 3.33Å; Q326-L328 PolarHBondContact O-N 2.96Å
329N93.8Very high96.6Very high45 Ų4535.2 Ų35.224%0.24118%0.176CC..Hα-helixtrans-75.3-23.8-178.4-70.4-23.8000114.4P4 K10 L325 Q326 T327P4-N329 VanDerWaalsContact CB-C 3.47Å; P4-N329 WeakPolarHBondContact CB-O 3.4Å; P4-N329 WeakPolarHBondContact CG-O 3.49Å; K10-N329 PolarHBondContact NZ-OD1 2.65Å; L325-N329 WeakPolarHBondContact O-CB 3.25Å; L325-N329 PolarHBondContact O-N 3.33Å; L325-N329 PolarHBondContact O-ND2 3.42Å; Q326-N329 PolarHBondContact O-N 3.3Å; T327-N329 PolarHBondContact O-N 2.63Å
330H93.4Very high96.5Very high58 Ų5836.9 Ų36.927%0.26918%0.184SC..Hα-helixtrans-104.6-17.7178.7-73.8-98.2000112.8Q326 T327 E332 E336 A337 N340Q326-H330 WeakPolarHBondContact O-CB 3.37Å; Q326-H330 PolarHBondContact O-CD2 3.25Å; Q326-H330 VanDerWaalsContact O-CD2 3.24Å; Q326-H330 PolarHBondContact O-N 2.68Å; Q326-H330 PolarHBondContact OE1-CD2 3.43Å; Q326-H330 PolarHBondContact OE1-NE2 3.28Å; T327-H330 PolarHBondContact O-N 3.25Å; H330-E332 WeakPolarHBondContact CB-O 3.49Å; H330-E332 PolarHBondContact O-N 3.35Å; H330-E336 IonicContact CE1-OE1 3.9Å; H330-A337 HydrophobicContact CB-CB 4.34Å; H330-N340 PolarHBondContact NE2-ND2 3.15Å
331G94.6Very high96.4Very high32 Ų3236.8 Ų36.833%0.3318%0.184SC..SBendtrans78.70.5-17200000113.5T327T327-G331 WeakPolarHBondContact O-CA 3.3Å; T327-G331 PolarHBondContact O-N 2.94Å
332E95.4Very high96.2Very high114 Ų11438.2 Ų38.253%0.53319%0.192SC..SBendtrans-159.3165.8174.860.7174.1159.900109.7T327 H330 S334T327-E332 PolarHBondContact O-N 3.18Å; H330-E332 WeakPolarHBondContact CB-O 3.49Å; H330-E332 PolarHBondContact O-N 3.35Å; E332-S334 PolarHBondContact O-N 2.84Å
333F96.8Very high95.9Very high25 Ų2543.6 Ų43.611%0.1122%0.218CC..  trans-99.566.8171.2-163.6-125.1000111.5V274 S323 T327 A337 R338 V341 V350V274-F333 HydrophobicContact CG1-CB 3.57Å; V274-F333 HydrophobicContact CG1-CD1 3.84Å; V274-F333 HydrophobicContact CG1-CG 3.79Å; V274-F333 HydrophobicContact CG2-CD1 4.15Å; V274-F333 HydrophobicContact CG2-CE1 4.28Å; V274-F333 HydrophobicContact CG2-CG 4.28Å; S323-F333 WeakPolarHBondContact OG-CZ 3.49Å; T327-F333 WeakPolarHBondContact OG1-CB 3.35Å; T327-F333 WeakPolarHBondContact OG1-CD2 3.5Å; F333-A337 HydrophobicContact CD2-CB 3.98Å; F333-A337 HydrophobicContact CE2-CB 4.4Å; F333-R338 HydrophobicContact CZ-CB 4.19Å; F333-R338 HydrophobicContact CZ-CG 4.38Å; F333-V341 HydrophobicContact CE2-CG2 4.36Å; F333-V350 HydrophobicContact CE1-CG2 4.19Å; F333-V350 HydrophobicContact CZ-CB 4.49Å; F333-V350 HydrophobicContact CZ-CG1 4.23Å; F333-V350 HydrophobicContact CZ-CG2 4.09Å
334S95.7Very high95.7Very high23 Ų2345.9 Ų45.916%0.16123%0.229CC..  trans-72.2173-178.370.70000113E332 E336 A337 R338E332-S334 PolarHBondContact O-N 2.84Å; S334-E336 PolarHBondContact O-N 3.29Å; S334-E336 PolarHBondContact OG-N 3.05Å; S334-A337 PolarHBondContact O-N 2.89Å; S334-A337 PolarHBondContact OG-N 3.39Å; S334-R338 PolarHBondContact O-N 2.89Å
335T95.8Very high95.4Very high110 Ų11045.9 Ų45.968%0.67523%0.229SC*.Hα-helixtrans-57.3-33.7170.6-53.50000112.1R339T335-R339 WeakPolarHBondContact O-CB 3.43Å; T335-R339 PolarHBondContact O-N 3.38Å
336E95.3Very high95.1Very high108 Ų10847.5 Ų47.551%0.50525%0.246SC..Hα-helixtrans-69.2-46.7176-175.3179.9168.500111.6H330 S334 R338 R339 N340H330-E336 IonicContact CE1-OE1 3.9Å; S334-E336 PolarHBondContact O-N 3.29Å; S334-E336 PolarHBondContact OG-N 3.05Å; E336-R338 VanDerWaalsContact C-N 3.31Å; E336-R338 PolarHBondContact O-N 3.47Å; E336-R339 PolarHBondContact O-N 3.02Å; E336-N340 PolarHBondContact O-N 2.94Å
337A95.6Very high94.9Very high0 Ų047.4 Ų47.40%025%0.246CC..Hα-helixtrans-57.3-46.1175.300000111Q326 H330 F333 S334 N340 V341Q326-A337 HydrophobicContact CB-CB 4.12Å; H330-A337 HydrophobicContact CB-CB 4.34Å; F333-A337 HydrophobicContact CD2-CB 3.98Å; F333-A337 HydrophobicContact CE2-CB 4.4Å; S334-A337 PolarHBondContact O-N 2.89Å; S334-A337 PolarHBondContact OG-N 3.39Å; A337-N340 PolarHBondContact O-N 3.43Å; A337-V341 WeakPolarHBondContact O-CG2 3.18Å; A337-V341 PolarHBondContact O-N 3.15Å; A337-V341 VanDerWaalsContact O-N 3.11Å
338R96.9Very high94.6Very high105 Ų10550.2 Ų50.240%0.39627%0.266SS..Hα-helixtrans-60.2-46.5175.5-172.4-177.4-62.6134.33.7112.2F333 S334 E336 N340 V341 T342 V350F333-R338 HydrophobicContact CZ-CB 4.19Å; F333-R338 HydrophobicContact CZ-CG 4.38Å; S334-R338 PolarHBondContact O-N 2.89Å; E336-R338 VanDerWaalsContact C-N 3.31Å; E336-R338 PolarHBondContact O-N 3.47Å; R338-N340 VanDerWaalsContact C-N 3.32Å; R338-N340 PolarHBondContact O-N 3.02Å; R338-V341 WeakPolarHBondContact O-CB 3.34Å; R338-V341 PolarHBondContact O-N 3.23Å; R338-T342 PolarHBondContact O-N 3.28Å; R338-T342 PolarHBondContact O-OG1 3.35Å; R338-V350 HydrophobicContact CG-CG1 3.91Å; R338-V350 HydrophobicContact CG-CG2 4.47Å
339R95.9Very high94.4Very high105 Ų10551.4 Ų51.440%0.39627%0.274SS..Hα-helixtrans-59.1-43.6178.1-175.7-174.858.668.914.7111.3T335 E336 V341 T342 E343T335-R339 WeakPolarHBondContact O-CB 3.43Å; T335-R339 PolarHBondContact O-N 3.38Å; E336-R339 PolarHBondContact O-N 3.02Å; R339-V341 VanDerWaalsContact C-N 3.34Å; R339-V341 PolarHBondContact O-N 2.94Å; R339-T342 VanDerWaalsContact CA-OG1 3.3Å; R339-T342 WeakPolarHBondContact CA-OG1 2.98Å; R339-T342 PolarHBondContact O-N 2.97Å; R339-T342 PolarHBondContact O-OG1 3.09Å; R339-E343 WeakPolarHBondContact CD-OE1 3.21Å; R339-E343 HydrophobicContact CG-CG 4.36Å; R339-E343 VanDerWaalsContact CG-OE1 3.27Å; R339-E343 WeakPolarHBondContact CG-OE1 3.44Å; R339-E343 IonicContact CZ-OE1 3.74Å; R339-E343 IonicContact CZ-OE2 2.73Å; R339-E343 IonicContact NE-OE1 4Å; R339-E343 IonicContact NH1-OE1 3.32Å; R339-E343 PolarHBondContact NH1-OE1 3.16Å; R339-E343 IonicContact NH1-OE2 3.97Å; R339-E343 PolarHBondContact NH1-OE2 3.42Å; R339-E343 WeakPolarHBondContact O-CB 3.15Å; R339-E343 WeakPolarHBondContact O-CG 3.33Å; R339-E343 PolarHBondContact O-N 3.36Å
340N95.1Very high94.4Very high34 Ų3449.7 Ų49.718%0.18227%0.265CS..Hα-helixtrans-60.7-42.8176.8-71-6.7000111.6H330 E336 A337 R338 E343 M344H330-N340 PolarHBondContact NE2-ND2 3.15Å; E336-N340 PolarHBondContact O-N 2.94Å; A337-N340 PolarHBondContact O-N 3.43Å; R338-N340 VanDerWaalsContact C-N 3.32Å; R338-N340 PolarHBondContact O-N 3.02Å; N340-E343 PolarHBondContact O-N 3.41Å; N340-M344 VanDerWaalsContact O-CB 3.29Å; N340-M344 WeakPolarHBondContact O-CB 3.44Å; N340-M344 WeakPolarHBondContact O-CG 3.45Å; N340-M344 PolarHBondContact O-N 2.99Å
341V96.2Very high94.5Very high0 Ų049.2 Ų49.20%026%0.263CS..Hα-helixtrans-58.9-51.2174.6177.30000111A322 Q326 F333 A337 R338 R339 E343 M344 L345 V350A322-V341 HydrophobicContact CB-CG1 3.72Å; A322-V341 HydrophobicContact CB-CG2 4.23Å; Q326-V341 HydrophobicContact CB-CG2 3.98Å; Q326-V341 HydrophobicContact CG-CG2 3.56Å; F333-V341 HydrophobicContact CE2-CG2 4.36Å; A337-V341 WeakPolarHBondContact O-CG2 3.18Å; A337-V341 PolarHBondContact O-N 3.15Å; A337-V341 VanDerWaalsContact O-N 3.11Å; R338-V341 WeakPolarHBondContact O-CB 3.34Å; R338-V341 PolarHBondContact O-N 3.23Å; R339-V341 VanDerWaalsContact C-N 3.34Å; R339-V341 PolarHBondContact O-N 2.94Å; V341-E343 VanDerWaalsContact C-N 3.32Å; V341-E343 PolarHBondContact O-N 3.32Å; V341-M344 PolarHBondContact O-N 2.75Å; V341-L345 HydrophobicContact CG1-CD1 3.9Å; V341-L345 HydrophobicContact CG1-CG 4.5Å; V341-L345 PolarHBondContact O-N 3.31Å; V341-V350 HydrophobicContact CB-CG1 3.91Å; V341-V350 HydrophobicContact CG1-CG1 3.66Å
342T94.8Very high94.4Very high29 Ų2948.1 Ų48.118%0.17825%0.25CC..Hα-helixtrans-61.3-39.6-177.5490000112.4R338 R339 G346 V347 V350R338-T342 PolarHBondContact O-N 3.28Å; R338-T342 PolarHBondContact O-OG1 3.35Å; R339-T342 VanDerWaalsContact CA-OG1 3.3Å; R339-T342 WeakPolarHBondContact CA-OG1 2.98Å; R339-T342 PolarHBondContact O-N 2.97Å; R339-T342 PolarHBondContact O-OG1 3.09Å; T342-G346 VanDerWaalsContact O-CA 3.28Å; T342-G346 WeakPolarHBondContact O-CA 3.38Å; T342-G346 PolarHBondContact O-N 3.47Å; T342-V347 WeakPolarHBondContact CB-O 3.38Å; T342-V347 HydrophobicContact CG2-CG2 4.34Å; T342-V347 WeakPolarHBondContact CG2-O 3.42Å; T342-V347 PolarHBondContact O-N 3.27Å; T342-V350 HydrophobicContact CG2-CG1 4.21Å
343E93.2Very high94.3Very high114 Ų11448.8 Ų48.853%0.53325%0.253SS..Hα-helixtrans-70.2-42.8177.1-73.9174-172.600112R339 N340 V341 L345 G346R339-E343 WeakPolarHBondContact CD-OE1 3.21Å; R339-E343 HydrophobicContact CG-CG 4.36Å; R339-E343 VanDerWaalsContact CG-OE1 3.27Å; R339-E343 WeakPolarHBondContact CG-OE1 3.44Å; R339-E343 IonicContact CZ-OE1 3.74Å; R339-E343 IonicContact CZ-OE2 2.73Å; R339-E343 IonicContact NE-OE1 4Å; R339-E343 IonicContact NH1-OE1 3.32Å; R339-E343 PolarHBondContact NH1-OE1 3.16Å; R339-E343 IonicContact NH1-OE2 3.97Å; R339-E343 PolarHBondContact NH1-OE2 3.42Å; R339-E343 WeakPolarHBondContact O-CB 3.15Å; R339-E343 WeakPolarHBondContact O-CG 3.33Å; R339-E343 PolarHBondContact O-N 3.36Å; N340-E343 PolarHBondContact O-N 3.41Å; V341-E343 VanDerWaalsContact C-N 3.32Å; V341-E343 PolarHBondContact O-N 3.32Å; E343-L345 PolarHBondContact O-N 3.18Å; E343-G346 PolarHBondContact O-N 2.92Å
344M93.1Very high94Very high47 Ų4750.6 Ų50.623%0.23227%0.272CS..Hα-helixtrans-68.4-33-178.5-73179.877.600113.4R35 L36 N340 V341 L364R35-M344 VanDerWaalsContact C-CE 3.43Å; R35-M344 HydrophobicContact CB-CE 4.04Å; R35-M344 WeakPolarHBondContact O-CE 3.42Å; L36-M344 HydrophobicContact CD2-CE 3.69Å; L36-M344 HydrophobicContact CD2-SD 4.04Å; L36-M344 HydrophobicContact CG-CE 4.21Å; N340-M344 VanDerWaalsContact O-CB 3.29Å; N340-M344 WeakPolarHBondContact O-CB 3.44Å; N340-M344 WeakPolarHBondContact O-CG 3.45Å; N340-M344 PolarHBondContact O-N 2.99Å; V341-M344 PolarHBondContact O-N 2.75Å; M344-L364 VanDerWaalsContact O-CB 3.3Å; M344-L364 WeakPolarHBondContact O-CB 3.37Å
345L93.6Very high93.7Very high0 Ų050.6 Ų50.60%027%0.27CS..Hα-helixtrans-93.7-17.2177.8-63.8-178.4000112.7L32 P319 A322 V341 E343 V347 S363 L364 F365L32-L345 HydrophobicContact CD1-CD2 3.66Å; L32-L345 HydrophobicContact CD2-CD2 4.06Å; P319-L345 HydrophobicContact CB-CD1 4.39Å; P319-L345 HydrophobicContact CG-CD1 4.44Å; A322-L345 HydrophobicContact CB-CD1 3.9Å; A322-L345 HydrophobicContact CB-CG 4.43Å; V341-L345 HydrophobicContact CG1-CD1 3.9Å; V341-L345 HydrophobicContact CG1-CG 4.5Å; V341-L345 PolarHBondContact O-N 3.31Å; E343-L345 PolarHBondContact O-N 3.18Å; L345-V347 HydrophobicContact CB-CG1 4.02Å; L345-V347 HydrophobicContact CB-CG2 3.87Å; L345-S363 PolarHBondContact O-OG 3.14Å; L345-S363 VanDerWaalsContact O-OG 3.11Å; L345-L364 PolarHBondContact O-N 3.35Å; L345-F365 HydrophobicContact CB-CB 4.37Å; L345-F365 HydrophobicContact CD2-CB 4.5Å
346G92Very high93.1Very high35 Ų3551.8 Ų51.836%0.36127%0.268SS..THydrogen-bonded Turntrans6646.2-173.100000112.3T342 E343 R368T342-G346 VanDerWaalsContact O-CA 3.28Å; T342-G346 WeakPolarHBondContact O-CA 3.38Å; T342-G346 PolarHBondContact O-N 3.47Å; E343-G346 PolarHBondContact O-N 2.92Å; G346-R368 PolarHBondContact O-NH1 3.29Å
347V91.4Very high92Very high10 Ų1055.4 Ų55.46%0.06128%0.277CS..  trans-124.9151.8-176.5-62.50000111.1T342 L345 S349 M355 F365T342-V347 WeakPolarHBondContact CB-O 3.38Å; T342-V347 HydrophobicContact CG2-CG2 4.34Å; T342-V347 WeakPolarHBondContact CG2-O 3.42Å; T342-V347 PolarHBondContact O-N 3.27Å; L345-V347 HydrophobicContact CB-CG1 4.02Å; L345-V347 HydrophobicContact CB-CG2 3.87Å; V347-S349 VanDerWaalsContact CG2-O 3.26Å; V347-S349 WeakPolarHBondContact CG2-O 3.36Å; V347-M355 HydrophobicContact CB-CE 3.79Å; V347-M355 HydrophobicContact CB-SD 3.92Å; V347-M355 HydrophobicContact CG1-CE 3.76Å; V347-M355 HydrophobicContact CG1-SD 3.77Å; V347-M355 HydrophobicContact CG2-CE 3.93Å; V347-F365 HydrophobicContact CG1-CD1 3.71Å; V347-F365 HydrophobicContact CG1-CE1 4.41Å
348S91.4Very high90.6Very high60 Ų6058.8 Ų58.842%0.4230%0.298SS..SBendtrans-81.3-21.3-17963.70000114E356S348-E356 PolarHBondContact OG-N 2.7Å
349S93.6Very high88.8Confident26 Ų2659 Ų5918%0.18232%0.315CS..  trans-142.8154.6-176.9-179.80000110V347 E351 M355V347-S349 VanDerWaalsContact CG2-O 3.26Å; V347-S349 WeakPolarHBondContact CG2-O 3.36Å; S349-E351 PolarHBondContact OG-N 3.5Å; S349-E351 VanDerWaalsContact OG-N 3.08Å; S349-E351 PolarHBondContact OG-O 3.4Å; S349-M355 WeakPolarHBondContact O-CE 3.2Å
350V93.8Very high86.8Confident8 Ų858 Ų585%0.04833%0.33CS..SBendtrans-87-18170-59.70000112.2T270 P319 F333 R338 V341 T342T270-V350 HydrophobicContact CG2-CB 4.42Å; T270-V350 HydrophobicContact CG2-CG2 4.33Å; T270-V350 PolarHBondContact OG1-O 3.13Å; P319-V350 WeakPolarHBondContact CB-O 3.47Å; F333-V350 HydrophobicContact CE1-CG2 4.19Å; F333-V350 HydrophobicContact CZ-CB 4.49Å; F333-V350 HydrophobicContact CZ-CG1 4.23Å; F333-V350 HydrophobicContact CZ-CG2 4.09Å; R338-V350 HydrophobicContact CG-CG1 3.91Å; R338-V350 HydrophobicContact CG-CG2 4.47Å; V341-V350 HydrophobicContact CB-CG1 3.91Å; V341-V350 HydrophobicContact CG1-CG1 3.66Å; T342-V350 HydrophobicContact CG2-CG1 4.21Å
351E95.6Very high84.9Confident48 Ų4864.1 Ų64.122%0.22436%0.362CS..SBendtrans-87.2117.7169.3-62.6-59.3163.700108.8T270 Q271 S349 E353 A354 M355T270-E351 WeakPolarHBondContact CB-OE1 3.36Å; T270-E351 WeakPolarHBondContact CB-OE2 3.36Å; T270-E351 PolarHBondContact N-OE2 3.43Å; Q271-E351 PolarHBondContact N-OE1 3.46Å; S349-E351 PolarHBondContact OG-N 3.5Å; S349-E351 VanDerWaalsContact OG-N 3.08Å; S349-E351 PolarHBondContact OG-O 3.4Å; E351-E353 PolarHBondContact O-N 2.65Å; E351-A354 HydrophobicContact CB-CB 4.23Å; E351-A354 PolarHBondContact O-N 3.22Å; E351-M355 PolarHBondContact O-N 3.14Å
352I91.9Very high82.9Confident9 Ų972.8 Ų72.85%0.04640%0.403CS..G310 helixtrans-58.7-34.6-175-167.179.6000111.9V267 V316 P319 A354 M355 F365 A371 V375V267-I352 HydrophobicContact CG1-CG2 3.53Å; V316-I352 HydrophobicContact CG1-CG2 4.1Å; P319-I352 HydrophobicContact CG-CD1 4.09Å; I352-A354 VanDerWaalsContact C-N 3.26Å; I352-A354 PolarHBondContact O-N 3.19Å; I352-M355 HydrophobicContact CD1-CE 3.74Å; I352-M355 HydrophobicContact CD1-SD 3.66Å; I352-M355 PolarHBondContact O-N 3.28Å; I352-F365 HydrophobicContact CD1-CE1 3.88Å; I352-F365 HydrophobicContact CD1-CZ 4.02Å; I352-A371 HydrophobicContact CD1-CB 3.76Å; I352-A371 HydrophobicContact CG1-CB 4.29Å; I352-V375 HydrophobicContact CB-CG2 4.31Å; I352-V375 HydrophobicContact CG1-CG2 3.73Å; I352-V375 HydrophobicContact CG2-CG2 3.77Å
353E92.4Very high81.4Confident129 Ų12973 Ų7360%0.60341%0.405SS*.G310 helixtrans-69.1-23.2177.8-60.2-172.4112.200113.7V267 E351 V375V267-E353 HydrophobicContact CG1-CG 3.68Å; E351-E353 PolarHBondContact O-N 2.65Å; E353-V375 HydrophobicContact CB-CG1 4.4Å; E353-V375 HydrophobicContact CG-CG1 4.12Å; E353-V375 HydrophobicContact CG-CG2 4.46Å
354A91.6Very high81Confident62 Ų6271.8 Ų71.851%0.51240%0.402SS..G310 helixtrans-100.78.7179.900000112.9E351 I352E351-A354 HydrophobicContact CB-CB 4.23Å; E351-A354 PolarHBondContact O-N 3.22Å; I352-A354 VanDerWaalsContact C-N 3.26Å; I352-A354 PolarHBondContact O-N 3.19Å
355M89Confident80.9Confident24 Ų2469.9 Ų69.912%0.11839%0.393CS..  trans-73.3135.3177.9-71.8-169.4-174.100111.9P319 V347 S349 E351 I352 F365P319-M355 HydrophobicContact CB-CE 3.9Å; P319-M355 HydrophobicContact CG-CE 3.32Å; V347-M355 HydrophobicContact CB-CE 3.79Å; V347-M355 HydrophobicContact CB-SD 3.92Å; V347-M355 HydrophobicContact CG1-CE 3.76Å; V347-M355 HydrophobicContact CG1-SD 3.77Å; V347-M355 HydrophobicContact CG2-CE 3.93Å; S349-M355 WeakPolarHBondContact O-CE 3.2Å; E351-M355 PolarHBondContact O-N 3.14Å; I352-M355 HydrophobicContact CD1-CE 3.74Å; I352-M355 HydrophobicContact CD1-SD 3.66Å; I352-M355 PolarHBondContact O-N 3.28Å; M355-F365 HydrophobicContact CE-CE1 4.17Å; M355-F365 HydrophobicContact SD-CE1 4.28Å
356E82.8Confident80.9Confident134 Ų13470.7 Ų70.763%0.62640%0.398SS*.  trans-77.3141.5173.7-65.2-178173.800110.2S348 T358 R368S348-E356 PolarHBondContact OG-N 2.7Å; E356-T358 PolarHBondContact O-N 3.25Å; E356-R368 PolarHBondContact O-NH2 3.38Å
357R72.6Confident81.1Confident185 Ų18569.7 Ų69.770%0.69839%0.388SS*.  trans-69.7114.7174.3-65.3-177.5-177.3-169.3-2.6108.9E376R357-E376 IonicContact CZ-OE1 3.7Å; R357-E376 IonicContact NH1-OE1 3.82Å; R357-E376 IonicContact NH2-OE1 2.75Å; R357-E376 PolarHBondContact NH2-OE1 2.94Å; R357-E376 IonicContact NH2-OE2 3.36Å; R357-E376 PolarHBondContact NH2-OE2 3.47Å
358T65.1Low81.2Confident71 Ų7170.1 Ų70.144%0.43639%0.388SS..  trans-116.1155.4172.662.20000110.2E356 A360 R368E356-T358 PolarHBondContact O-N 3.25Å; T358-A360 PolarHBondContact O-N 3.11Å; T358-R368 VanDerWaalsContact OG1-CZ 3.27Å; T358-R368 PolarHBondContact OG1-NH1 3.34Å; T358-R368 PolarHBondContact OG1-NH2 3.17Å
359S59Low81.4Confident109 Ų10972.6 Ų72.676%0.76239%0.388SS*.  trans-59.4132.3173.747.30000110.4D361S359-D361 PolarHBondContact O-N 3.21Å
360A55.5Low81.5Confident85 Ų8571.4 Ų71.470%0.70238%0.38SS*.G310 helixtrans-67.7-2.5-165.400000116.4T358 E362T358-A360 PolarHBondContact O-N 3.11Å; A360-E362 PolarHBondContact O-N 3.45Å
361D53.9Low81.7Confident162 Ų16271 Ų7187%0.86638%0.378SS*.G310 helixtrans-80.8-7.7-165.7-98.2-14000115.8S359S359-D361 PolarHBondContact O-N 3.21Å
362E55.4Low81.6Confident181 Ų18170.5 Ų70.585%0.84638%0.375SS*.G310 helixtrans-133.817-174.7-65.6-172.1168.400115.3A360A360-E362 PolarHBondContact O-N 3.45Å
363S63Low81.9Confident34 Ų3470.3 Ų70.324%0.23837%0.374CS..  trans-88124.9-178.6-166.20000112.4L345 F365 R368L345-S363 PolarHBondContact O-OG 3.14Å; L345-S363 VanDerWaalsContact O-OG 3.11Å; S363-F365 PolarHBondContact O-N 3.04Å; S363-F365 WeakPolarHBondContact OG-CB 3.46Å; S363-R368 VanDerWaalsContact OG-CD 3.24Å; S363-R368 WeakPolarHBondContact OG-CD 3.39Å; S363-R368 PolarHBondContact OG-NH1 2.84Å; S363-R368 VanDerWaalsContact OG-NH1 3.17Å
364L83.8Confident82.1Confident89 Ų8964.2 Ų64.247%0.46635%0.346SS..  trans-77.710.9174.1-67.4-179000113.6R35 M344 L345 P366R35-L364 PolarHBondContact NH2-O 3.14Å; M344-L364 VanDerWaalsContact O-CB 3.3Å; M344-L364 WeakPolarHBondContact O-CB 3.37Å; L345-L364 PolarHBondContact O-N 3.35Å; L364-P366 VanDerWaalsContact O-CD 3.31Å; L364-P366 WeakPolarHBondContact O-CD 3.36Å
365F91.3Very high82.4Confident7 Ų762.2 Ų62.23%0.03133%0.327CS..  trans-100.299.7-177.4174.9-174.8000110.1P315 L318 P319 L345 V347 I352 M355 S363 G367 R368 A371P315-F365 WeakPolarHBondContact O-CE2 3.26Å; P315-F365 WeakPolarHBondContact O-CZ 3.42Å; L318-F365 HydrophobicContact CB-CD2 4.18Å; L318-F365 HydrophobicContact CB-CE2 3.77Å; L318-F365 HydrophobicContact CB-CZ 4.42Å; L318-F365 HydrophobicContact CD1-CD2 3.77Å; L318-F365 HydrophobicContact CD1-CE2 3.71Å; L318-F365 HydrophobicContact CG-CE2 4.12Å; P319-F365 HydrophobicContact CG-CE1 4.11Å; P319-F365 HydrophobicContact CG-CZ 4.21Å; L345-F365 HydrophobicContact CB-CB 4.37Å; L345-F365 HydrophobicContact CD2-CB 4.5Å; V347-F365 HydrophobicContact CG1-CD1 3.71Å; V347-F365 HydrophobicContact CG1-CE1 4.41Å; I352-F365 HydrophobicContact CD1-CE1 3.88Å; I352-F365 HydrophobicContact CD1-CZ 4.02Å; M355-F365 HydrophobicContact CE-CE1 4.17Å; M355-F365 HydrophobicContact SD-CE1 4.28Å; S363-F365 PolarHBondContact O-N 3.04Å; S363-F365 WeakPolarHBondContact OG-CB 3.46Å; F365-G367 PolarHBondContact O-N 3.19Å; F365-R368 HydrophobicContact CB-CB 4.12Å; F365-R368 HydrophobicContact CD1-CB 3.59Å; F365-R368 HydrophobicContact CD1-CG 3.72Å; F365-R368 HydrophobicContact CD2-CB 4.21Å; F365-R368 HydrophobicContact CE1-CB 3.96Å; F365-R368 HydrophobicContact CE1-CG 3.97Å; F365-R368 HydrophobicContact CE2-CB 4.48Å; F365-R368 HydrophobicContact CG-CB 3.73Å; F365-R368 HydrophobicContact CG-CG 4.35Å; F365-R368 HydrophobicContact CZ-CB 4.38Å; F365-R368 WeakPolarHBondContact O-CB 3.22Å; F365-R368 PolarHBondContact O-N 3.4Å; F365-A371 HydrophobicContact CZ-CB 3.89Å
366P94.8Very high82.7Confident16 Ų1664.2 Ų64.210%0.10434%0.336CS..THydrogen-bonded Turntrans-60.2127.3175.9-23.338.1000111Y25 Q28 L32 L318 L364Y25-P366 HydrophobicContact CD2-CB 4.2Å; Y25-P366 HydrophobicContact CE2-CB 3.59Å; Y25-P366 PolarHBondContact OH-O 3.41Å; Q28-P366 HydrophobicContact CB-CB 4.04Å; Q28-P366 HydrophobicContact CB-CG 4.04Å; L32-P366 HydrophobicContact CD2-CG 4.48Å; L318-P366 WeakPolarHBondContact CD1-O 3.39Å; L364-P366 VanDerWaalsContact O-CD 3.31Å; L364-P366 WeakPolarHBondContact O-CD 3.36Å
367G95.3Very high83.4Confident15 Ų1557.9 Ų57.916%0.15531%0.307CS..THydrogen-bonded Turntrans79.410.517900000115.9F365 R369 L370 A371F365-G367 PolarHBondContact O-N 3.19Å; G367-R369 VanDerWaalsContact C-N 3.28Å; G367-R369 PolarHBondContact O-N 3.34Å; G367-L370 PolarHBondContact O-N 3.13Å; G367-L370 VanDerWaalsContact O-N 3.1Å; G367-A371 PolarHBondContact O-N 2.92Å; G367-A371 VanDerWaalsContact O-N 3.12Å
368R94.1Very high84.6Confident18 Ų1850.3 Ų50.37%0.06828%0.28CS..Hα-helixtrans-48.4-46.6177.5178.4173.3175.31691.9113.7G346 E356 T358 S363 F365 L370 A371 E372G346-R368 PolarHBondContact O-NH1 3.29Å; E356-R368 PolarHBondContact O-NH2 3.38Å; T358-R368 VanDerWaalsContact OG1-CZ 3.27Å; T358-R368 PolarHBondContact OG1-NH1 3.34Å; T358-R368 PolarHBondContact OG1-NH2 3.17Å; S363-R368 VanDerWaalsContact OG-CD 3.24Å; S363-R368 WeakPolarHBondContact OG-CD 3.39Å; S363-R368 PolarHBondContact OG-NH1 2.84Å; S363-R368 VanDerWaalsContact OG-NH1 3.17Å; F365-R368 HydrophobicContact CB-CB 4.12Å; F365-R368 HydrophobicContact CD1-CB 3.59Å; F365-R368 HydrophobicContact CD1-CG 3.72Å; F365-R368 HydrophobicContact CD2-CB 4.21Å; F365-R368 HydrophobicContact CE1-CB 3.96Å; F365-R368 HydrophobicContact CE1-CG 3.97Å; F365-R368 HydrophobicContact CE2-CB 4.48Å; F365-R368 HydrophobicContact CG-CB 3.73Å; F365-R368 HydrophobicContact CG-CG 4.35Å; F365-R368 HydrophobicContact CZ-CB 4.38Å; F365-R368 WeakPolarHBondContact O-CB 3.22Å; F365-R368 PolarHBondContact O-N 3.4Å; R368-L370 VanDerWaalsContact C-N 3.29Å; R368-L370 PolarHBondContact O-N 3.47Å; R368-A371 WeakPolarHBondContact O-CB 3.36Å; R368-A371 PolarHBondContact O-N 3.09Å; R368-A371 VanDerWaalsContact O-N 3.09Å; R368-E372 HydrophobicContact CG-CG 4.26Å; R368-E372 IonicContact CZ-OE1 3.41Å; R368-E372 IonicContact NE-OE1 2.79Å; R368-E372 PolarHBondContact NE-OE1 3.1Å; R368-E372 IonicContact NH2-OE1 2.79Å; R368-E372 PolarHBondContact NH2-OE1 3.25Å; R368-E372 WeakPolarHBondContact O-CG 3.1Å; R368-E372 PolarHBondContact O-N 3.02Å
369R94.3Very high86Confident112 Ų11250.7 Ų50.742%0.42329%0.286SS..Hα-helixtrans-59.9-41-177.1-179.858.8-177.91603.7112G367 E372 L373 E438G367-R369 VanDerWaalsContact C-N 3.28Å; G367-R369 PolarHBondContact O-N 3.34Å; R369-E372 IonicContact NH1-OE2 3.46Å; R369-L373 HydrophobicContact CG-CD1 4.26Å; R369-L373 VanDerWaalsContact O-CG 3.31Å; R369-L373 WeakPolarHBondContact O-CG 3.3Å; R369-L373 PolarHBondContact O-N 2.92Å; R369-L373 VanDerWaalsContact O-N 3.13Å; R369-E438 HydrophobicContact CG-CG 3.87Å
370L96.9Very high87.8Confident1 Ų147.6 Ų47.61%0.00526%0.26CS..Hα-helixtrans-65.8-43.6175.3179.559000110.9P315 G367 R368 E372 L373 I374 V435 E438 M439 L442 Y443P315-L370 HydrophobicContact CG-CD2 4.1Å; G367-L370 PolarHBondContact O-N 3.13Å; G367-L370 VanDerWaalsContact O-N 3.1Å; R368-L370 VanDerWaalsContact C-N 3.29Å; R368-L370 PolarHBondContact O-N 3.47Å; L370-E372 PolarHBondContact O-N 2.91Å; L370-L373 PolarHBondContact O-N 3.35Å; L370-I374 HydrophobicContact CD1-CD1 3.96Å; L370-I374 HydrophobicContact CD1-CG1 4.11Å; L370-I374 HydrophobicContact CD2-CD1 4.47Å; L370-I374 HydrophobicContact CG-CD1 3.83Å; L370-I374 HydrophobicContact CG-CG1 4.39Å; L370-I374 WeakPolarHBondContact O-CG1 3.45Å; L370-I374 PolarHBondContact O-N 3.41Å; L370-V435 HydrophobicContact CD1-CG1 4.02Å; L370-E438 HydrophobicContact CB-CB 4.06Å; L370-E438 HydrophobicContact CD1-CB 4.05Å; L370-M439 HydrophobicContact CD1-CB 3.94Å; L370-M439 HydrophobicContact CD1-CE 4.05Å; L370-M439 HydrophobicContact CD2-CB 4.08Å; L370-M439 HydrophobicContact CD2-CE 4.46Å; L370-M439 HydrophobicContact CD2-CG 4.16Å; L370-L442 HydrophobicContact CB-CD1 4.17Å; L370-L442 HydrophobicContact CD2-CD1 3.78Å; L370-Y443 HydrophobicContact CD2-CD2 4.43Å; L370-Y443 HydrophobicContact CD2-CE2 4.26Å
371A96.9Very high89.7Confident0 Ų043.9 Ų43.90%023%0.229CC..Hα-helixtrans-59.6-45.7178.400000112.3P315 V316 I352 F365 G367 R368 L373 I374 V375P315-A371 HydrophobicContact CB-CB 4.29Å; V316-A371 HydrophobicContact CG2-CB 4.32Å; I352-A371 HydrophobicContact CD1-CB 3.76Å; I352-A371 HydrophobicContact CG1-CB 4.29Å; F365-A371 HydrophobicContact CZ-CB 3.89Å; G367-A371 PolarHBondContact O-N 2.92Å; G367-A371 VanDerWaalsContact O-N 3.12Å; R368-A371 WeakPolarHBondContact O-CB 3.36Å; R368-A371 PolarHBondContact O-N 3.09Å; R368-A371 VanDerWaalsContact O-N 3.09Å; A371-L373 PolarHBondContact O-N 3.31Å; A371-I374 PolarHBondContact O-N 2.82Å; A371-V375 WeakPolarHBondContact O-CG2 3.25Å; A371-V375 PolarHBondContact O-N 3.37Å
372E95.2Very high91.6Very high37 Ų3739.5 Ų39.517%0.17321%0.205CC..Hα-helixtrans-60.5-43.8176-70.7174.2171.900112.1R368 R369 L370 V375 E376R368-E372 HydrophobicContact CG-CG 4.26Å; R368-E372 IonicContact CZ-OE1 3.41Å; R368-E372 IonicContact NE-OE1 2.79Å; R368-E372 PolarHBondContact NE-OE1 3.1Å; R368-E372 IonicContact NH2-OE1 2.79Å; R368-E372 PolarHBondContact NH2-OE1 3.25Å; R368-E372 WeakPolarHBondContact O-CG 3.1Å; R368-E372 PolarHBondContact O-N 3.02Å; R369-E372 IonicContact NH1-OE2 3.46Å; L370-E372 PolarHBondContact O-N 2.91Å; E372-V375 PolarHBondContact O-N 3.49Å; E372-E376 WeakPolarHBondContact O-CB 3.44Å; E372-E376 PolarHBondContact O-N 3.41Å
373L96.9Very high93.5Very high6 Ų632.2 Ų32.23%0.03117%0.174CC..Hα-helixtrans-66.4-39.1178.5-75.1171.7000112.3R369 L370 A371 E376 I377 A434 V435 E438R369-L373 HydrophobicContact CG-CD1 4.26Å; R369-L373 VanDerWaalsContact O-CG 3.31Å; R369-L373 WeakPolarHBondContact O-CG 3.3Å; R369-L373 PolarHBondContact O-N 2.92Å; R369-L373 VanDerWaalsContact O-N 3.13Å; L370-L373 PolarHBondContact O-N 3.35Å; A371-L373 PolarHBondContact O-N 3.31Å; L373-E376 PolarHBondContact O-N 3.48Å; L373-I377 VanDerWaalsContact O-CG2 3.31Å; L373-I377 WeakPolarHBondContact O-CG2 3.48Å; L373-I377 PolarHBondContact O-N 3.34Å; L373-A434 HydrophobicContact CD1-CB 4.1Å; L373-A434 HydrophobicContact CD2-CB 4.12Å; L373-V435 HydrophobicContact CB-CG2 3.75Å; L373-E438 HydrophobicContact CD1-CB 4.37Å; L373-E438 HydrophobicContact CD1-CG 3.76Å
374I97.6Very high94.8Very high1 Ų137.9 Ų37.91%0.00520%0.197CC..Hα-helixtrans-62.4-45.7175.3-74.8170.9000110.4V267 L313 V316 L370 A371 E376 I377 N378 V435 M439 W451V267-I374 HydrophobicContact CG2-CG2 4.48Å; L313-I374 HydrophobicContact CD1-CD1 4.02Å; V316-I374 HydrophobicContact CG2-CB 4.14Å; V316-I374 HydrophobicContact CG2-CD1 3.74Å; V316-I374 HydrophobicContact CG2-CG2 3.89Å; L370-I374 HydrophobicContact CD1-CD1 3.96Å; L370-I374 HydrophobicContact CD1-CG1 4.11Å; L370-I374 HydrophobicContact CD2-CD1 4.47Å; L370-I374 HydrophobicContact CG-CD1 3.83Å; L370-I374 HydrophobicContact CG-CG1 4.39Å; L370-I374 WeakPolarHBondContact O-CG1 3.45Å; L370-I374 PolarHBondContact O-N 3.41Å; A371-I374 PolarHBondContact O-N 2.82Å; I374-E376 VanDerWaalsContact C-N 3.35Å; I374-E376 PolarHBondContact O-N 2.8Å; I374-I377 WeakPolarHBondContact O-CG2 3.3Å; I374-N378 WeakPolarHBondContact O-CB 3.46Å; I374-N378 PolarHBondContact O-N 2.99Å; I374-V435 HydrophobicContact CG1-CG1 4.37Å; I374-M439 HydrophobicContact CD1-CE 4.04Å; I374-W451 HydrophobicContact CG1-CZ2 4.04Å; I374-W451 HydrophobicContact CG2-CZ2 4.05Å
375V96.9Very high95Very high20 Ų2039 Ų3912%0.12120%0.2CC..Hα-helixtrans-60.2-46.2176167.30000111V267 I352 E353 A371 E372 N378 S379V267-V375 HydrophobicContact CG1-CG2 4.08Å; V267-V375 HydrophobicContact CG2-CG2 4.25Å; I352-V375 HydrophobicContact CB-CG2 4.31Å; I352-V375 HydrophobicContact CG1-CG2 3.73Å; I352-V375 HydrophobicContact CG2-CG2 3.77Å; E353-V375 HydrophobicContact CB-CG1 4.4Å; E353-V375 HydrophobicContact CG-CG1 4.12Å; E353-V375 HydrophobicContact CG-CG2 4.46Å; A371-V375 WeakPolarHBondContact O-CG2 3.25Å; A371-V375 PolarHBondContact O-N 3.37Å; E372-V375 PolarHBondContact O-N 3.49Å; V375-N378 PolarHBondContact O-N 3.07Å; V375-S379 WeakPolarHBondContact O-CB 3.27Å; V375-S379 PolarHBondContact O-N 3.33Å
376E96.1Very high95Very high66 Ų6638.9 Ų38.931%0.30820%0.199SC..Hα-helixtrans-61.9-49.7-178.6-165.8-178.3-171.600111.8R357 E372 L373 I374 S379 L380 M431R357-E376 IonicContact CZ-OE1 3.7Å; R357-E376 IonicContact NH1-OE1 3.82Å; R357-E376 IonicContact NH2-OE1 2.75Å; R357-E376 PolarHBondContact NH2-OE1 2.94Å; R357-E376 IonicContact NH2-OE2 3.36Å; R357-E376 PolarHBondContact NH2-OE2 3.47Å; E372-E376 WeakPolarHBondContact O-CB 3.44Å; E372-E376 PolarHBondContact O-N 3.41Å; L373-E376 PolarHBondContact O-N 3.48Å; I374-E376 VanDerWaalsContact C-N 3.35Å; I374-E376 PolarHBondContact O-N 2.8Å; E376-S379 PolarHBondContact O-N 2.9Å; E376-L380 PolarHBondContact O-N 3.37Å; E376-M431 HydrophobicContact CB-CE 3.91Å; E376-M431 HydrophobicContact CG-CE 3.49Å; E376-M431 VanDerWaalsContact CG-CE 3.49Å
377I97.1Very high94.7Very high0 Ų045 Ų450%022%0.22CC..Hα-helixtrans-69.5-37.9179.5-162.4176.4000111.3L373 I374 S379 L380 L381 M431 V432 V435 W451 V456L373-I377 VanDerWaalsContact O-CG2 3.31Å; L373-I377 WeakPolarHBondContact O-CG2 3.48Å; L373-I377 PolarHBondContact O-N 3.34Å; I374-I377 WeakPolarHBondContact O-CG2 3.3Å; I377-S379 VanDerWaalsContact C-N 3.33Å; I377-S379 PolarHBondContact O-N 3.27Å; I377-L380 PolarHBondContact O-N 3.46Å; I377-L381 HydrophobicContact CD1-CD1 4.45Å; I377-L381 HydrophobicContact CG1-CD1 3.97Å; I377-L381 HydrophobicContact CG1-CG 4.13Å; I377-L381 WeakPolarHBondContact O-CB 3.24Å; I377-L381 WeakPolarHBondContact O-CG 3.44Å; I377-L381 PolarHBondContact O-N 3.03Å; I377-M431 VanDerWaalsContact CA-CE 3.47Å; I377-M431 HydrophobicContact CB-CE 3.79Å; I377-M431 HydrophobicContact CD1-CB 4.03Å; I377-M431 HydrophobicContact CG1-CB 4.2Å; I377-M431 HydrophobicContact CG1-CE 4.24Å; I377-V432 HydrophobicContact CD1-CG2 3.87Å; I377-V435 HydrophobicContact CB-CG2 4.47Å; I377-V435 HydrophobicContact CD1-CG2 4.4Å; I377-V435 HydrophobicContact CG2-CG2 4.08Å; I377-W451 HydrophobicContact CG2-CH2 3.58Å; I377-W451 HydrophobicContact CG2-CZ2 4.43Å; I377-W451 HydrophobicContact CG2-CZ3 4.41Å; I377-V456 HydrophobicContact CD1-CG2 4.07Å
378N96.6Very high94.4Very high27 Ų2749.7 Ų49.714%0.14424%0.237CC..Hα-helixtrans-62.8-41.6177.4-177.270.1000111.1V267 I374 V375 L380 L381 N382V267-N378 HydrophobicContact CG2-CB 4.04Å; I374-N378 WeakPolarHBondContact O-CB 3.46Å; I374-N378 PolarHBondContact O-N 2.99Å; V375-N378 PolarHBondContact O-N 3.07Å; N378-L380 VanDerWaalsContact C-N 3.34Å; N378-L380 PolarHBondContact O-N 2.76Å; N378-L381 PolarHBondContact O-N 3.26Å; N378-N382 PolarHBondContact ND2-ND2 3.43Å; N378-N382 WeakPolarHBondContact O-CB 3.32Å; N378-N382 PolarHBondContact O-N 3.5Å; N378-N382 PolarHBondContact O-ND2 3.49Å; N378-N382 PolarHBondContact OD1-ND2 3.28Å
379S95.8Very high94.4Very high79 Ų7949.1 Ų49.155%0.55224%0.235SC*.Hα-helixtrans-59.4-45174.2-1760000111.6V375 E376 I377 N382 S383V375-S379 WeakPolarHBondContact O-CB 3.27Å; V375-S379 PolarHBondContact O-N 3.33Å; E376-S379 PolarHBondContact O-N 2.9Å; I377-S379 VanDerWaalsContact C-N 3.33Å; I377-S379 PolarHBondContact O-N 3.27Å; S379-N382 PolarHBondContact O-N 3.24Å; S379-S383 PolarHBondContact O-N 3.11Å; S379-S383 VanDerWaalsContact O-N 3.14Å
380L95.8Very high94.1Very high43 Ų4346.9 Ų46.923%0.22523%0.229CC..Hα-helixtrans-66.5-45.6177.8-177.960.5000112.5E376 I377 N378 N382 S383 L386 T427 L428 M431E376-L380 PolarHBondContact O-N 3.37Å; I377-L380 PolarHBondContact O-N 3.46Å; N378-L380 VanDerWaalsContact C-N 3.34Å; N378-L380 PolarHBondContact O-N 2.76Å; L380-N382 PolarHBondContact O-N 2.92Å; L380-S383 WeakPolarHBondContact O-CB 3.49Å; L380-S383 PolarHBondContact O-N 3.19Å; L380-S383 VanDerWaalsContact O-N 3.09Å; L380-S383 PolarHBondContact O-OG 2.8Å; L380-L386 HydrophobicContact CG-CD2 4.44Å; L380-L386 WeakPolarHBondContact O-CD2 3.47Å; L380-T427 HydrophobicContact CD2-CG2 4.14Å; L380-L428 HydrophobicContact CD2-CD2 3.74Å; L380-L428 HydrophobicContact CD2-CG 4.45Å; L380-L428 HydrophobicContact CG-CD2 4.16Å; L380-M431 HydrophobicContact CD2-SD 3.5Å; L380-M431 VanDerWaalsContact CD2-SD 3.5Å
381L95.7Very high93.7Very high7 Ų750.3 Ų50.34%0.03725%0.253CS..Hα-helixtrans-58.9-31.7177.7-72168.6000112.2I377 N378 L386 L428 H455 V456 V459I377-L381 HydrophobicContact CD1-CD1 4.45Å; I377-L381 HydrophobicContact CG1-CD1 3.97Å; I377-L381 HydrophobicContact CG1-CG 4.13Å; I377-L381 WeakPolarHBondContact O-CB 3.24Å; I377-L381 WeakPolarHBondContact O-CG 3.44Å; I377-L381 PolarHBondContact O-N 3.03Å; N378-L381 PolarHBondContact O-N 3.26Å; L381-L386 HydrophobicContact CD2-CD2 4.17Å; L381-L428 HydrophobicContact CD2-CD2 3.92Å; L381-L428 HydrophobicContact CG-CD2 4.48Å; L381-H455 HydrophobicContact CD1-CB 4.4Å; L381-V456 HydrophobicContact CD1-CG2 4.12Å; L381-V459 HydrophobicContact CD2-CB 3.87Å; L381-V459 HydrophobicContact CD2-CG1 4.28Å; L381-V459 HydrophobicContact CD2-CG2 3.87Å
382N94.1Very high93.4Very high70 Ų7052.5 Ų52.537%0.37427%0.265SS..THydrogen-bonded Turntrans-93.10179-71.7-62.7000114.6N378 S379 L380 R387N378-N382 PolarHBondContact ND2-ND2 3.43Å; N378-N382 WeakPolarHBondContact O-CB 3.32Å; N378-N382 PolarHBondContact O-N 3.5Å; N378-N382 PolarHBondContact O-ND2 3.49Å; N378-N382 PolarHBondContact OD1-ND2 3.28Å; S379-N382 PolarHBondContact O-N 3.24Å; L380-N382 PolarHBondContact O-N 2.92Å; N382-R387 PolarHBondContact OD1-NH1 3.48Å
383S94.7Very high93.3Very high28 Ų2857.5 Ų57.520%0.19629%0.29CS..SBendtrans-62.8142.5173.565.80000111.1S379 L380 E385 L386 R387S379-S383 PolarHBondContact O-N 3.11Å; S379-S383 VanDerWaalsContact O-N 3.14Å; L380-S383 WeakPolarHBondContact O-CB 3.49Å; L380-S383 PolarHBondContact O-N 3.19Å; L380-S383 VanDerWaalsContact O-N 3.09Å; L380-S383 PolarHBondContact O-OG 2.8Å; S383-E385 PolarHBondContact O-N 3.2Å; S383-L386 PolarHBondContact O-N 3.45Å; S383-L386 WeakPolarHBondContact OG-CB 3.31Å; S383-R387 VanDerWaalsContact O-CB 3.24Å; S383-R387 WeakPolarHBondContact O-CB 3.45Å; S383-R387 PolarHBondContact O-N 3.43Å
384E90.3Very high93Very high153 Ų15358.5 Ų58.572%0.71530%0.295SS*.Hα-helixtrans-60-38.3-178.4-71.2-168.8168.200111.5L386 F388E384-L386 VanDerWaalsContact C-N 3.3Å; E384-L386 PolarHBondContact O-N 2.86Å; E384-F388 WeakPolarHBondContact O-CB 3.49Å; E384-F388 PolarHBondContact O-N 3.04Å; E384-F388 VanDerWaalsContact O-N 3.1Å
385E88.8Confident92.8Very high113 Ų11358.5 Ų58.553%0.52830%0.295SS..Hα-helixtrans-61.5-39.6-178.4-64.179.2-174.900112.3S383 F389S383-E385 PolarHBondContact O-N 3.2Å; E385-F389 WeakPolarHBondContact O-CA 3.14Å; E385-F389 WeakPolarHBondContact O-CB 3.21Å; E385-F389 PolarHBondContact O-N 2.74Å
386L91Very high92.7Very high4 Ų465.8 Ų65.82%0.02132%0.321CS..Hα-helixtrans-89.8-50.2-174.7-160.9104.1000110.9L380 L381 S383 E384 F388 F389 Y424 L428 V459 L463L380-L386 HydrophobicContact CG-CD2 4.44Å; L380-L386 WeakPolarHBondContact O-CD2 3.47Å; L381-L386 HydrophobicContact CD2-CD2 4.17Å; S383-L386 PolarHBondContact O-N 3.45Å; S383-L386 WeakPolarHBondContact OG-CB 3.31Å; E384-L386 VanDerWaalsContact C-N 3.3Å; E384-L386 PolarHBondContact O-N 2.86Å; L386-F388 VanDerWaalsContact C-N 3.28Å; L386-F388 PolarHBondContact O-N 3.47Å; L386-F389 PolarHBondContact O-N 2.85Å; L386-Y424 HydrophobicContact CD1-CD1 3.49Å; L386-Y424 VanDerWaalsContact CD1-CD1 3.49Å; L386-Y424 HydrophobicContact CD1-CD2 4.45Å; L386-Y424 HydrophobicContact CD1-CE1 4.23Å; L386-Y424 HydrophobicContact CD1-CG 3.63Å; L386-L428 HydrophobicContact CD1-CD1 4.02Å; L386-L428 HydrophobicContact CD1-CG 4.39Å; L386-L428 HydrophobicContact CD2-CD1 3.9Å; L386-L428 HydrophobicContact CD2-CD2 4.02Å; L386-L428 HydrophobicContact CD2-CG 4.4Å; L386-L428 HydrophobicContact CG-CD1 4.37Å; L386-V459 HydrophobicContact CD2-CB 4.44Å; L386-V459 HydrophobicContact CD2-CG1 3.31Å; L386-V459 HydrophobicContact CG-CG1 3.75Å; L386-L463 HydrophobicContact CD1-CD1 4.44Å
387R89Confident92.6Very high145 Ų14564.2 Ų64.255%0.54732%0.322SS..Hα-helixtrans-63.5-35.2-177.1-168.8167.3-177.6162.51.7112.2N382 S383N382-R387 PolarHBondContact OD1-NH1 3.48Å; S383-R387 VanDerWaalsContact O-CB 3.24Å; S383-R387 WeakPolarHBondContact O-CB 3.45Å; S383-R387 PolarHBondContact O-N 3.43Å
388F89.6Confident92.5Very high114 Ų11468.8 Ų68.850%0.534%0.339SS..THydrogen-bonded Turntrans-114.530-178.9-55.1-66.1000112.5E384 L386 E390 S391 N392E384-F388 WeakPolarHBondContact O-CB 3.49Å; E384-F388 PolarHBondContact O-N 3.04Å; E384-F388 VanDerWaalsContact O-N 3.1Å; L386-F388 VanDerWaalsContact C-N 3.28Å; L386-F388 PolarHBondContact O-N 3.47Å; F388-E390 VanDerWaalsContact C-N 3.29Å; F388-E390 PolarHBondContact O-N 3.45Å; F388-S391 CarbonylContact O-C 3.47Å; F388-S391 WeakPolarHBondContact O-CA 3.15Å; F388-S391 WeakPolarHBondContact O-CB 3.31Å; F388-S391 PolarHBondContact O-N 3.45Å; F388-N392 PolarHBondContact O-N 2.92Å
389F92.4Very high92.4Very high6 Ų667.5 Ų67.53%0.02633%0.332CS..G310 helixtrans-54-42.5-178.1-172.8-93.1000113.1E385 L386 S391 N392 V395 I417 Q420 A421 Y424 L463 I466E385-F389 WeakPolarHBondContact O-CA 3.14Å; E385-F389 WeakPolarHBondContact O-CB 3.21Å; E385-F389 PolarHBondContact O-N 2.74Å; L386-F389 PolarHBondContact O-N 2.85Å; F389-S391 PolarHBondContact O-N 3.42Å; F389-N392 WeakPolarHBondContact O-CB 3.29Å; F389-N392 PolarHBondContact O-N 3.47Å; F389-N392 VanDerWaalsContact O-N 3.08Å; F389-V395 HydrophobicContact CD1-CG2 4.14Å; F389-V395 HydrophobicContact CE1-CG2 3.82Å; F389-V395 HydrophobicContact CZ-CG2 4.42Å; F389-V395 WeakPolarHBondContact O-CG2 3.49Å; F389-I417 HydrophobicContact CE1-CG2 4.23Å; F389-I417 HydrophobicContact CZ-CG2 4.36Å; F389-Q420 HydrophobicContact CE2-CB 3.99Å; F389-Q420 HydrophobicContact CZ-CB 4.1Å; F389-A421 HydrophobicContact CE1-CB 3.85Å; F389-A421 HydrophobicContact CZ-CB 3.79Å; F389-Y424 HydrophobicContact CD2-CD2 4.01Å; F389-Y424 AromaticContact CD2-CE2 3.9Å; F389-Y424 HydrophobicContact CD2-CE2 3.9Å; F389-Y424 AromaticContact CE2-CD2 3.9Å; F389-Y424 HydrophobicContact CE2-CD2 3.9Å; F389-Y424 AromaticContact CE2-CE2 3.79Å; F389-Y424 HydrophobicContact CE2-CE2 3.79Å; F389-L463 HydrophobicContact CB-CD2 3.65Å; F389-L463 HydrophobicContact CD1-CD2 3.36Å; F389-L463 HydrophobicContact CD2-CD2 3.94Å; F389-L463 HydrophobicContact CE1-CD2 3.95Å; F389-L463 HydrophobicContact CE2-CD2 4.46Å; F389-L463 HydrophobicContact CG-CD2 3.35Å; F389-L463 HydrophobicContact CZ-CD2 4.46Å; F389-I466 HydrophobicContact CD1-CD1 3.53Å; F389-I466 HydrophobicContact CE1-CD1 3.62Å
390E89.1Confident92.3Very high65 Ų6564.8 Ų64.830%0.30431%0.313SS..G310 helixtrans-63.3-23.6176-80.4-161.6109.900113.7F388 V395 R404 P462 R465 I466F388-E390 VanDerWaalsContact C-N 3.29Å; F388-E390 PolarHBondContact O-N 3.45Å; E390-V395 WeakPolarHBondContact O-CG1 3.46Å; E390-R404 IonicContact OE1-CZ 3.71Å; E390-R404 IonicContact OE1-NH1 3.38Å; E390-R404 PolarHBondContact OE1-NH1 2.76Å; E390-R404 IonicContact OE1-NH2 3.62Å; E390-R404 PolarHBondContact OE1-NH2 3.27Å; E390-R404 VanDerWaalsContact OE1-NH2 3.16Å; E390-P462 HydrophobicContact CG-CB 4.27Å; E390-R465 IonicContact OE2-NH2 3.7Å; E390-I466 HydrophobicContact CG-CD1 3.66Å; E390-I466 HydrophobicContact CG-CG1 4.35Å
391S89.3Confident92.2Very high73 Ų7367.5 Ų67.551%0.5133%0.333SS..G310 helixtrans-93.7-0.1178.4-63.80000113.1F388 F389 R396F388-S391 CarbonylContact O-C 3.47Å; F388-S391 WeakPolarHBondContact O-CA 3.15Å; F388-S391 WeakPolarHBondContact O-CB 3.31Å; F388-S391 PolarHBondContact O-N 3.45Å; F389-S391 PolarHBondContact O-N 3.42Å; S391-R396 WeakPolarHBondContact O-CD 3.33Å
392N90Very high92.1Very high46 Ų4673.3 Ų73.325%0.24636%0.356CS..SBendtrans-67.4160178111.1-21.3000111.6F388 F389 L394 V395 R396F388-N392 PolarHBondContact O-N 2.92Å; F389-N392 WeakPolarHBondContact O-CB 3.29Å; F389-N392 PolarHBondContact O-N 3.47Å; F389-N392 VanDerWaalsContact O-N 3.08Å; N392-L394 VanDerWaalsContact C-N 3.31Å; N392-L394 PolarHBondContact O-N 3.17Å; N392-L394 WeakPolarHBondContact OD1-CA 3.43Å; N392-L394 WeakPolarHBondContact OD1-CB 3.17Å; N392-L394 PolarHBondContact OD1-N 3.1Å; N392-V395 PolarHBondContact O-N 3.21Å; N392-V395 PolarHBondContact OD1-N 3.25Å; N392-R396 WeakPolarHBondContact O-CB 3.3Å; N392-R396 WeakPolarHBondContact O-CG 3.31Å; N392-R396 PolarHBondContact O-N 3.4Å
393M92Very high92Very high141 Ų14171.8 Ų71.870%0.69535%0.346SS*.Hα-helixtrans-55.8-41.9-176.9-176.7-170.570.600113.1G397M393-G397 PolarHBondContact O-N 3.43Å
394L91.4Very high91.9Very high28 Ų2873.5 Ų73.515%0.14735%0.348CS..Hα-helixtrans-66.5-48.6-178.4-68172.9000111.2N392 G397 W398 I417N392-L394 VanDerWaalsContact C-N 3.31Å; N392-L394 PolarHBondContact O-N 3.17Å; N392-L394 WeakPolarHBondContact OD1-CA 3.43Å; N392-L394 WeakPolarHBondContact OD1-CB 3.17Å; N392-L394 PolarHBondContact OD1-N 3.1Å; L394-G397 PolarHBondContact O-N 3.27Å; L394-W398 HydrophobicContact CD2-CE3 4.38Å; L394-W398 HydrophobicContact CD2-CZ3 4.44Å; L394-W398 PolarHBondContact O-N 3.44Å; L394-I417 HydrophobicContact CB-CD1 4.23Å; L394-I417 HydrophobicContact CB-CG1 3.84Å
395V93.8Very high92Very high1 Ų173.4 Ų73.41%0.00635%0.348CS..Hα-helixtrans-66.6-45.6-179.5-177.50000110.6F389 E390 N392 G397 F399 S400 I417 I466F389-V395 HydrophobicContact CD1-CG2 4.14Å; F389-V395 HydrophobicContact CE1-CG2 3.82Å; F389-V395 HydrophobicContact CZ-CG2 4.42Å; F389-V395 WeakPolarHBondContact O-CG2 3.49Å; E390-V395 WeakPolarHBondContact O-CG1 3.46Å; N392-V395 PolarHBondContact O-N 3.21Å; N392-V395 PolarHBondContact OD1-N 3.25Å; V395-G397 VanDerWaalsContact C-N 3.34Å; V395-G397 PolarHBondContact O-N 3.39Å; V395-F399 HydrophobicContact CG1-CB 4.46Å; V395-F399 CarbonylContact O-C 3.01Å; V395-F399 WeakPolarHBondContact O-CA 3.46Å; V395-F399 PolarHBondContact O-N 3.01Å; V395-S400 PolarHBondContact O-N 3.04Å; V395-I417 HydrophobicContact CG2-CD1 4.5Å; V395-I417 HydrophobicContact CG2-CG1 4.43Å; V395-I417 HydrophobicContact CG2-CG2 3.92Å; V395-I466 HydrophobicContact CG1-CD1 4.46Å; V395-I466 HydrophobicContact CG2-CD1 4.4Å
396R94.1Very high92.1Very high173 Ų17373.7 Ų73.765%0.65334%0.344SS*.Hα-helixtrans-65-36.7178-71.4-177.566.3174.11.1113.1S391 N392 S400S391-R396 WeakPolarHBondContact O-CD 3.33Å; N392-R396 WeakPolarHBondContact O-CB 3.3Å; N392-R396 WeakPolarHBondContact O-CG 3.31Å; N392-R396 PolarHBondContact O-N 3.4Å; R396-S400 WeakPolarHBondContact O-CB 3.38Å
397G94.2Very high92Very high32 Ų3278 Ų7833%0.3336%0.363SS..Hα-helixtrans-79.3-36.2-177.400000113.9M393 L394 V395 H403M393-G397 PolarHBondContact O-N 3.43Å; L394-G397 PolarHBondContact O-N 3.27Å; V395-G397 VanDerWaalsContact C-N 3.34Å; V395-G397 PolarHBondContact O-N 3.39Å; G397-H403 PolarHBondContact O-CE1 3.43Å
398W94.8Very high92Very high96 Ų9676 Ų7636%0.36436%0.361SS..Hα-helixtrans-132-5.1-167.4-69.7-83.9000115.7L394 N413L394-W398 HydrophobicContact CD2-CE3 4.38Å; L394-W398 HydrophobicContact CD2-CZ3 4.44Å; L394-W398 PolarHBondContact O-N 3.44Å; W398-N413 HydrophobicContact CB-CB 3.81Å; W398-N413 HydrophobicContact CD2-CB 4.48Å; W398-N413 VanDerWaalsContact CE2-ND2 3.28Å; W398-N413 HydrophobicContact CG-CB 3.86Å; W398-N413 PolarHBondContact NE1-ND2 2.81Å
399F95.1Very high92.1Very high0 Ų070.9 Ų70.90%034%0.339CS..SBendtrans-143.634.5177.6-156.3-110.1000112.8V395 R404 V409 I417 I466 A469 I470 C473V395-F399 HydrophobicContact CG1-CB 4.46Å; V395-F399 CarbonylContact O-C 3.01Å; V395-F399 WeakPolarHBondContact O-CA 3.46Å; V395-F399 PolarHBondContact O-N 3.01Å; F399-R404 HydrophobicContact CD1-CG 4.16Å; F399-R404 HydrophobicContact CE1-CG 3.9Å; F399-R404 HydrophobicContact CE2-CG 4.3Å; F399-R404 HydrophobicContact CG-CG 4.46Å; F399-R404 HydrophobicContact CZ-CG 3.96Å; F399-R404 PolarHBondContact O-NE 3.48Å; F399-R404 PolarHBondContact O-NH2 3.07Å; F399-V409 HydrophobicContact CD2-CG1 3.66Å; F399-V409 HydrophobicContact CE2-CG1 3.77Å; F399-I417 HydrophobicContact CB-CD1 3.64Å; F399-I466 HydrophobicContact CD1-CG2 4.04Å; F399-I466 HydrophobicContact CE1-CG2 4.04Å; F399-A469 HydrophobicContact CE1-CB 4.11Å; F399-A469 HydrophobicContact CZ-CB 3.82Å; F399-I470 HydrophobicContact CD1-CG1 4.32Å; F399-I470 HydrophobicContact CD2-CG1 4.18Å; F399-I470 HydrophobicContact CE1-CD1 4.48Å; F399-I470 HydrophobicContact CE1-CG1 3.79Å; F399-I470 HydrophobicContact CE2-CB 4.5Å; F399-I470 HydrophobicContact CE2-CG1 3.63Å; F399-I470 HydrophobicContact CZ-CB 4.31Å; F399-I470 HydrophobicContact CZ-CG1 3.42Å; F399-I470 VanDerWaalsContact CZ-CG1 3.42Å; F399-C473 HydrophobicContact CE2-CB 4.14Å
400S93.5Very high92.1Very high22 Ų2273.7 Ų73.715%0.15436%0.355CS..SBendtrans-72.3170178.774.80000112.2V395 R396 Y402 H403 R404V395-S400 PolarHBondContact O-N 3.04Å; R396-S400 WeakPolarHBondContact O-CB 3.38Å; S400-Y402 PolarHBondContact O-N 3.46Å; S400-Y402 VanDerWaalsContact O-N 3.08Å; S400-H403 PolarHBondContact N-ND1 3.38Å; S400-H403 WeakPolarHBondContact O-CB 3.2Å; S400-H403 PolarHBondContact O-N 2.79Å; S400-H403 PolarHBondContact OG-ND1 3.3Å; S400-R404 WeakPolarHBondContact O-CG 3.37Å; S400-R404 PolarHBondContact O-N 3.03Å
401P93.1Very high92.2Very high100 Ų10072.7 Ų72.765%0.64935%0.354SS*.Hα-helixtrans-51.9-34176.4-29.136.6000114Q405P401-Q405 VanDerWaalsContact O-CB 3.27Å; P401-Q405 WeakPolarHBondContact O-CB 3.06Å; P401-Q405 PolarHBondContact O-N 3.39Å
402Y93.3Very high92.3Very high130 Ų13075.4 Ų75.451%0.5136%0.362SS..Hα-helixtrans-59.3-46.5175.2172.5-93.9000112.6S400 R406S400-Y402 PolarHBondContact O-N 3.46Å; S400-Y402 VanDerWaalsContact O-N 3.08Å; Y402-R406 VanDerWaalsContact CE2-CZ 3.42Å; Y402-R406 PolarHBondContact O-N 3.23Å
403H93.4Very high92.6Very high38 Ų3874.6 Ų74.618%0.17636%0.357CS..Hα-helixtrans-68.8-47.1-179.9-6296.2000111G397 S400 Q405 R406 K407 M408 V409G397-H403 PolarHBondContact O-CE1 3.43Å; S400-H403 PolarHBondContact N-ND1 3.38Å; S400-H403 WeakPolarHBondContact O-CB 3.2Å; S400-H403 PolarHBondContact O-N 2.79Å; S400-H403 PolarHBondContact OG-ND1 3.3Å; H403-Q405 PolarHBondContact O-N 3.47Å; H403-R406 PolarHBondContact O-N 3.14Å; H403-K407 WeakPolarHBondContact O-CA 3.38Å; H403-K407 PolarHBondContact O-N 3.13Å; H403-M408 VanDerWaalsContact CB-O 3.32Å; H403-M408 WeakPolarHBondContact CB-O 3.33Å; H403-M408 PolarHBondContact CD2-O 3.14Å; H403-M408 VanDerWaalsContact CD2-O 3.28Å; H403-M408 PolarHBondContact O-N 3.03Å; H403-M408 VanDerWaalsContact O-N 3.09Å; H403-V409 HydrophobicContact CB-CG1 4.16Å
404R91.2Very high92.6Very high63 Ų6367.9 Ų67.924%0.23832%0.324CS..Hα-helixtrans-59.1-47.3179.5-62.3178.7-161.2177.73.9111.3E390 F399 S400 R406 K407E390-R404 IonicContact OE1-CZ 3.71Å; E390-R404 IonicContact OE1-NH1 3.38Å; E390-R404 PolarHBondContact OE1-NH1 2.76Å; E390-R404 IonicContact OE1-NH2 3.62Å; E390-R404 PolarHBondContact OE1-NH2 3.27Å; E390-R404 VanDerWaalsContact OE1-NH2 3.16Å; F399-R404 HydrophobicContact CD1-CG 4.16Å; F399-R404 HydrophobicContact CE1-CG 3.9Å; F399-R404 HydrophobicContact CE2-CG 4.3Å; F399-R404 HydrophobicContact CG-CG 4.46Å; F399-R404 HydrophobicContact CZ-CG 3.96Å; F399-R404 PolarHBondContact O-NE 3.48Å; F399-R404 PolarHBondContact O-NH2 3.07Å; S400-R404 WeakPolarHBondContact O-CG 3.37Å; S400-R404 PolarHBondContact O-N 3.03Å; R404-R406 VanDerWaalsContact C-N 3.32Å; R404-R406 PolarHBondContact O-N 3.21Å; R404-K407 PolarHBondContact O-N 2.87Å
405Q92.4Very high92.6Very high152 Ų15271.8 Ų71.871%0.7134%0.344SS*.Hα-helixtrans-62.6-37.4-178.6-173.2-175.63100112.8P401 H403P401-Q405 VanDerWaalsContact O-CB 3.27Å; P401-Q405 WeakPolarHBondContact O-CB 3.06Å; P401-Q405 PolarHBondContact O-N 3.39Å; H403-Q405 PolarHBondContact O-N 3.47Å
406R91.2Very high92.7Very high119 Ų11976.1 Ų76.145%0.44937%0.367SS..Hα-helixtrans-90.1-4.7-179-73.1169.7178.9655.1113.1Y402 H403 R404 M408Y402-R406 VanDerWaalsContact CE2-CZ 3.42Å; Y402-R406 PolarHBondContact O-N 3.23Å; H403-R406 PolarHBondContact O-N 3.14Å; R404-R406 VanDerWaalsContact C-N 3.32Å; R404-R406 PolarHBondContact O-N 3.21Å; R406-M408 HydrophobicContact CB-CB 4.23Å; R406-M408 HydrophobicContact CB-CG 4.03Å; R406-M408 HydrophobicContact CB-SD 4.25Å; R406-M408 PolarHBondContact O-N 3.35Å; R406-M408 VanDerWaalsContact O-N 3.16Å
407K89.3Confident92.7Very high95 Ų9567.9 Ų67.941%0.41334%0.336SS..THydrogen-bonded Turntrans49.633.5-169.2-51-168.6-169.1178.20112.6H403 R404 E476H403-K407 WeakPolarHBondContact O-CA 3.38Å; H403-K407 PolarHBondContact O-N 3.13Å; R404-K407 PolarHBondContact O-N 2.87Å; K407-E476 HydrophobicContact CB-CB 4.11Å; K407-E476 HydrophobicContact CB-CG 4.13Å; K407-E476 HydrophobicContact CD-CB 4.46Å; K407-E476 HydrophobicContact CD-CG 3.61Å; K407-E476 WeakPolarHBondContact CD-OE1 3.41Å; K407-E476 IonicContact NZ-OE1 2.78Å; K407-E476 PolarHBondContact NZ-OE1 3.24Å
408M88.9Confident92.8Very high102 Ų10269.4 Ų69.450%0.50233%0.334SS..  trans-108.3104.5179.1-72.1-178.172.400108.6H403 R406 M477H403-M408 VanDerWaalsContact CB-O 3.32Å; H403-M408 WeakPolarHBondContact CB-O 3.33Å; H403-M408 PolarHBondContact CD2-O 3.14Å; H403-M408 VanDerWaalsContact CD2-O 3.28Å; H403-M408 PolarHBondContact O-N 3.03Å; H403-M408 VanDerWaalsContact O-N 3.09Å; R406-M408 HydrophobicContact CB-CB 4.23Å; R406-M408 HydrophobicContact CB-CG 4.03Å; R406-M408 HydrophobicContact CB-SD 4.25Å; R406-M408 PolarHBondContact O-N 3.35Å; R406-M408 VanDerWaalsContact O-N 3.16Å; M408-M477 HydrophobicContact CB-SD 4.36Å; M408-M477 HydrophobicContact CG-SD 4.28Å
409V92.1Very high92.8Very high6 Ų668.5 Ų68.54%0.03634%0.343CS..  trans-132.9153.8-175.8-63.50000111F399 H403 P411 C473 V474 M477F399-V409 HydrophobicContact CD2-CG1 3.66Å; F399-V409 HydrophobicContact CE2-CG1 3.77Å; H403-V409 HydrophobicContact CB-CG1 4.16Å; V409-P411 WeakPolarHBondContact O-CD 3.41Å; V409-C473 HydrophobicContact CB-CB 4.36Å; V409-C473 HydrophobicContact CG1-CB 3.67Å; V409-C473 HydrophobicContact CG2-CB 3.72Å; V409-V474 HydrophobicContact CG2-CG2 4.02Å; V409-M477 HydrophobicContact CG2-CG 4.26Å
410N92.3Very high92.8Very high66 Ų6672 Ų7235%0.35336%0.359SS..  trans-81.8117.3167.9179.7-50.5000108.5L412 N413 S414N410-L412 PolarHBondContact O-N 3.21Å; N410-L412 PolarHBondContact OD1-N 3.37Å; N410-N413 HydrophobicContact CB-CB 4.22Å; N410-N413 PolarHBondContact O-N 3.24Å; N410-N413 PolarHBondContact OD1-N 3.16Å; N410-S414 WeakPolarHBondContact O-CB 3.37Å; N410-S414 PolarHBondContact O-N 3.16Å; N410-S414 PolarHBondContact O-OG 3.38Å
411P91.2Very high92.9Very high44 Ų4471 Ų7129%0.28635%0.352SS..Hα-helixtrans-59.6-40-175.2-27.236.3000114V409 S414 I415 V474 V478V409-P411 WeakPolarHBondContact O-CD 3.41Å; P411-S414 PolarHBondContact O-N 3.17Å; P411-I415 WeakPolarHBondContact O-CG1 3.46Å; P411-I415 PolarHBondContact O-N 2.66Å; P411-V474 HydrophobicContact CB-CG1 4.48Å; P411-V478 HydrophobicContact CB-CG2 4.37Å; P411-V478 HydrophobicContact CG-CG2 3.87Å
412L92Very high93.1Very high130 Ų13067.4 Ų67.468%0.68133%0.329SS*.Hα-helixtrans-64.7-47.8-180-68.4173.9000111.4N410 S414 I415 L416N410-L412 PolarHBondContact O-N 3.21Å; N410-L412 PolarHBondContact OD1-N 3.37Å; L412-S414 VanDerWaalsContact C-N 3.27Å; L412-S414 PolarHBondContact O-N 2.96Å; L412-I415 PolarHBondContact O-N 3.09Å; L412-L416 PolarHBondContact O-N 2.97Å; L412-L416 VanDerWaalsContact O-N 3.12Å
413N94.4Very high93.2Very high28 Ų2862.9 Ų62.915%0.1532%0.322CS..Hα-helixtrans-67.4-31.7177.8-68.7-26.2000111.8W398 N410 L416 I417W398-N413 HydrophobicContact CB-CB 3.81Å; W398-N413 HydrophobicContact CD2-CB 4.48Å; W398-N413 VanDerWaalsContact CE2-ND2 3.28Å; W398-N413 HydrophobicContact CG-CB 3.86Å; W398-N413 PolarHBondContact NE1-ND2 2.81Å; N410-N413 HydrophobicContact CB-CB 4.22Å; N410-N413 PolarHBondContact O-N 3.24Å; N410-N413 PolarHBondContact OD1-N 3.16Å; N413-L416 PolarHBondContact O-N 3.04Å; N413-I417 WeakPolarHBondContact O-CD1 3.46Å; N413-I417 VanDerWaalsContact O-CG1 3.23Å; N413-I417 WeakPolarHBondContact O-CG1 3.49Å; N413-I417 PolarHBondContact O-N 2.87Å
414S93.2Very high93.3Very high0 Ų064.5 Ų64.50%033%0.327CS..Hα-helixtrans-65.1-40.5174.4-54.90000111.7N410 P411 L412 I417 H418N410-S414 WeakPolarHBondContact O-CB 3.37Å; N410-S414 PolarHBondContact O-N 3.16Å; N410-S414 PolarHBondContact O-OG 3.38Å; P411-S414 PolarHBondContact O-N 3.17Å; L412-S414 VanDerWaalsContact C-N 3.27Å; L412-S414 PolarHBondContact O-N 2.96Å; S414-I417 PolarHBondContact O-N 3.33Å; S414-H418 VanDerWaalsContact O-CB 3.3Å; S414-H418 WeakPolarHBondContact O-CB 3.03Å; S414-H418 PolarHBondContact O-N 3.04Å
415I91.8Very high93.6Very high111 Ų11162.6 Ų62.657%0.56932%0.321SS*.Hα-helixtrans-62.6-43.1174.2-69164.3000110.9P411 L412 H418 S419P411-I415 WeakPolarHBondContact O-CG1 3.46Å; P411-I415 PolarHBondContact O-N 2.66Å; L412-I415 PolarHBondContact O-N 3.09Å; I415-H418 PolarHBondContact O-N 3.37Å; I415-S419 WeakPolarHBondContact O-CB 3.48Å; I415-S419 PolarHBondContact O-N 3.47Å
416L94.3Very high93.8Very high91 Ų9159.6 Ų59.648%0.47631%0.311SS..Hα-helixtrans-62.4-47.1177.6-69.1173.8000111.9L412 N413 S419 Q420L412-L416 PolarHBondContact O-N 2.97Å; L412-L416 VanDerWaalsContact O-N 3.12Å; N413-L416 PolarHBondContact O-N 3.04Å; L416-S419 PolarHBondContact O-N 3.47Å; L416-Q420 WeakPolarHBondContact O-CG 3.27Å; L416-Q420 PolarHBondContact O-N 3.44Å
417I95.6Very high94Very high0 Ų057.2 Ų57.20%031%0.309CS..Hα-helixtrans-60.7-47177.3-67.7164.2000110.4F389 L394 V395 F399 N413 S414 S419 Q420 A421 I466 I470F389-I417 HydrophobicContact CE1-CG2 4.23Å; F389-I417 HydrophobicContact CZ-CG2 4.36Å; L394-I417 HydrophobicContact CB-CD1 4.23Å; L394-I417 HydrophobicContact CB-CG1 3.84Å; V395-I417 HydrophobicContact CG2-CD1 4.5Å; V395-I417 HydrophobicContact CG2-CG1 4.43Å; V395-I417 HydrophobicContact CG2-CG2 3.92Å; F399-I417 HydrophobicContact CB-CD1 3.64Å; N413-I417 WeakPolarHBondContact O-CD1 3.46Å; N413-I417 VanDerWaalsContact O-CG1 3.23Å; N413-I417 WeakPolarHBondContact O-CG1 3.49Å; N413-I417 PolarHBondContact O-N 2.87Å; S414-I417 PolarHBondContact O-N 3.33Å; I417-S419 PolarHBondContact O-N 2.97Å; I417-Q420 PolarHBondContact O-N 3.08Å; I417-A421 WeakPolarHBondContact O-CB 3.45Å; I417-A421 PolarHBondContact O-N 3.41Å; I417-I466 HydrophobicContact CG2-CG2 3.58Å; I417-I470 HydrophobicContact CB-CD1 4.26Å; I417-I470 HydrophobicContact CG2-CD1 3.94Å
418H95.4Very high94.4Very high64 Ų6452.8 Ų52.830%0.29629%0.29SS..Hα-helixtrans-58.4-48.2177.4-178-70.9000111.3S414 I415 Q420 A421 S422 I470S414-H418 VanDerWaalsContact O-CB 3.3Å; S414-H418 WeakPolarHBondContact O-CB 3.03Å; S414-H418 PolarHBondContact O-N 3.04Å; I415-H418 PolarHBondContact O-N 3.37Å; H418-Q420 VanDerWaalsContact C-N 3.34Å; H418-Q420 PolarHBondContact O-N 3.39Å; H418-A421 PolarHBondContact O-N 2.79Å; H418-S422 PolarHBondContact CE1-OG 2.91Å; H418-S422 VanDerWaalsContact CE1-OG 3.23Å; H418-S422 PolarHBondContact ND1-OG 2.88Å; H418-S422 VanDerWaalsContact O-CB 3.31Å; H418-S422 WeakPolarHBondContact O-CB 3.45Å; H418-S422 PolarHBondContact O-N 3.22Å; H418-S422 PolarHBondContact O-OG 3.01Å; H418-I470 HydrophobicContact CB-CD1 3.74Å; H418-I470 HydrophobicContact CB-CG2 4.38Å
419S95.2Very high94.7Very high78 Ų7853.1 Ų53.155%0.54529%0.29SS..Hα-helixtrans-62.4-40.7-179.4-173.80000112.2I415 L416 I417 G423I415-S419 WeakPolarHBondContact O-CB 3.48Å; I415-S419 PolarHBondContact O-N 3.47Å; L416-S419 PolarHBondContact O-N 3.47Å; I417-S419 PolarHBondContact O-N 2.97Å; S419-G423 PolarHBondContact O-N 3.22Å
420Q95.1Very high95Very high73 Ų7359.7 Ų59.734%0.34132%0.318SS..Hα-helixtrans-65.7-50.8176.6-73.7-179.8-9.300111.2F389 L416 I417 H418 S422 G423 Y424F389-Q420 HydrophobicContact CE2-CB 3.99Å; F389-Q420 HydrophobicContact CZ-CB 4.1Å; L416-Q420 WeakPolarHBondContact O-CG 3.27Å; L416-Q420 PolarHBondContact O-N 3.44Å; I417-Q420 PolarHBondContact O-N 3.08Å; H418-Q420 VanDerWaalsContact C-N 3.34Å; H418-Q420 PolarHBondContact O-N 3.39Å; Q420-S422 VanDerWaalsContact C-N 3.3Å; Q420-S422 PolarHBondContact O-N 2.89Å; Q420-G423 PolarHBondContact O-N 2.76Å; Q420-Y424 HydrophobicContact CB-CE2 4.48Å; Q420-Y424 WeakPolarHBondContact O-CD2 3.47Å; Q420-Y424 PolarHBondContact O-N 3.26Å
421A95.8Very high95.3Very high0 Ų057.7 Ų57.70%031%0.307CS..Hα-helixtrans-59-42.3178.600000111.9F389 I417 H418 Y424 L425 L463 I467F389-A421 HydrophobicContact CE1-CB 3.85Å; F389-A421 HydrophobicContact CZ-CB 3.79Å; I417-A421 WeakPolarHBondContact O-CB 3.45Å; I417-A421 PolarHBondContact O-N 3.41Å; H418-A421 PolarHBondContact O-N 2.79Å; A421-Y424 PolarHBondContact O-N 2.79Å; A421-L425 PolarHBondContact O-N 2.92Å; A421-L463 HydrophobicContact CB-CD2 4.27Å; A421-I467 HydrophobicContact CB-CD1 3.88Å; A421-I467 HydrophobicContact CB-CG1 3.74Å
422S96.6Very high95.6Very high26 Ų2657.1 Ų57.118%0.18230%0.303CS..Hα-helixtrans-64.7-45.2178.7-55.30000111.5H418 Q420 Y424 L425 D426H418-S422 PolarHBondContact CE1-OG 2.91Å; H418-S422 VanDerWaalsContact CE1-OG 3.23Å; H418-S422 PolarHBondContact ND1-OG 2.88Å; H418-S422 VanDerWaalsContact O-CB 3.31Å; H418-S422 WeakPolarHBondContact O-CB 3.45Å; H418-S422 PolarHBondContact O-N 3.22Å; H418-S422 PolarHBondContact O-OG 3.01Å; Q420-S422 VanDerWaalsContact C-N 3.3Å; Q420-S422 PolarHBondContact O-N 2.89Å; S422-Y424 VanDerWaalsContact C-N 3.29Å; S422-Y424 PolarHBondContact O-N 3.33Å; S422-L425 PolarHBondContact O-N 3.43Å; S422-D426 PolarHBondContact O-N 3.44Å
423G96.3Very high95.9Very high35 Ų3556.1 Ų56.136%0.36130%0.295SS..Hα-helixtrans-62-36.1177.700000113.2S419 Q420 T427S419-G423 PolarHBondContact O-N 3.22Å; Q420-G423 PolarHBondContact O-N 2.76Å; G423-T427 WeakPolarHBondContact O-CB 3.34Å; G423-T427 PolarHBondContact O-N 3.3Å; G423-T427 PolarHBondContact O-OG1 3.02Å
424Y95.9Very high96Very high71 Ų7156.2 Ų56.228%0.27830%0.299SS..Hα-helixtrans-66.4-46.7172.6-73.6-52.2000112.2L386 F389 Q420 A421 S422 D426 T427 L428L386-Y424 HydrophobicContact CD1-CD1 3.49Å; L386-Y424 VanDerWaalsContact CD1-CD1 3.49Å; L386-Y424 HydrophobicContact CD1-CD2 4.45Å; L386-Y424 HydrophobicContact CD1-CE1 4.23Å; L386-Y424 HydrophobicContact CD1-CG 3.63Å; F389-Y424 HydrophobicContact CD2-CD2 4.01Å; F389-Y424 AromaticContact CD2-CE2 3.9Å; F389-Y424 HydrophobicContact CD2-CE2 3.9Å; F389-Y424 AromaticContact CE2-CD2 3.9Å; F389-Y424 HydrophobicContact CE2-CD2 3.9Å; F389-Y424 AromaticContact CE2-CE2 3.79Å; F389-Y424 HydrophobicContact CE2-CE2 3.79Å; Q420-Y424 HydrophobicContact CB-CE2 4.48Å; Q420-Y424 WeakPolarHBondContact O-CD2 3.47Å; Q420-Y424 PolarHBondContact O-N 3.26Å; A421-Y424 PolarHBondContact O-N 2.79Å; S422-Y424 VanDerWaalsContact C-N 3.29Å; S422-Y424 PolarHBondContact O-N 3.33Å; Y424-D426 PolarHBondContact O-N 3.18Å; Y424-T427 PolarHBondContact O-N 3.24Å; Y424-L428 WeakPolarHBondContact O-CG 3.45Å; Y424-L428 PolarHBondContact O-N 2.75Å
425L96.1Very high96.3Very high23 Ų2356.2 Ų56.212%0.1230%0.299CS..Hα-helixtrans-60.9-44.3176.8-75.3-175.9000112.4A421 S422 T427 L428 Q429 T460 L463 Q464 I467A421-L425 PolarHBondContact O-N 2.92Å; S422-L425 PolarHBondContact O-N 3.43Å; L425-T427 PolarHBondContact O-N 3.36Å; L425-L428 PolarHBondContact O-N 2.73Å; L425-Q429 VanDerWaalsContact O-CB 3.31Å; L425-Q429 WeakPolarHBondContact O-CB 3.22Å; L425-Q429 PolarHBondContact O-N 3.42Å; L425-T460 HydrophobicContact CD2-CG2 3.85Å; L425-L463 HydrophobicContact CD1-CB 4.21Å; L425-L463 HydrophobicContact CD2-CB 3.84Å; L425-L463 HydrophobicContact CD2-CD1 3.89Å; L425-L463 HydrophobicContact CG-CB 3.9Å; L425-L463 HydrophobicContact CG-CD1 4.21Å; L425-Q464 HydrophobicContact CD1-CB 4.36Å; L425-I467 HydrophobicContact CD1-CD1 3.36Å; L425-I467 HydrophobicContact CG-CD1 4.26Å
426D96.8Very high96.6Very high90 Ų9055.3 Ų55.348%0.48129%0.289SS..Hα-helixtrans-60.4-36177.6-72.5-15.4000112S422 Y424 K430S422-D426 PolarHBondContact O-N 3.44Å; Y424-D426 PolarHBondContact O-N 3.18Å; D426-K430 WeakPolarHBondContact O-CG 3.29Å; D426-K430 PolarHBondContact O-N 3.21Å
427T96.3Very high96.8Very high69 Ų6957.6 Ų57.642%0.42330%0.295SS..Hα-helixtrans-71.2-50177.3-580000110.6L380 G423 Y424 L425 Q429 K430 M431L380-T427 HydrophobicContact CD2-CG2 4.14Å; G423-T427 WeakPolarHBondContact O-CB 3.34Å; G423-T427 PolarHBondContact O-N 3.3Å; G423-T427 PolarHBondContact O-OG1 3.02Å; Y424-T427 PolarHBondContact O-N 3.24Å; L425-T427 PolarHBondContact O-N 3.36Å; T427-Q429 VanDerWaalsContact C-N 3.32Å; T427-Q429 PolarHBondContact O-N 3.33Å; T427-K430 PolarHBondContact O-N 2.94Å; T427-M431 HydrophobicContact CG2-SD 4.44Å; T427-M431 WeakPolarHBondContact O-CG 3.47Å; T427-M431 PolarHBondContact O-N 3.21Å
428L96.6Very high96.9Very high1 Ų160 Ų601%0.00531%0.306CS..Hα-helixtrans-59.5-42.9178.1-73171.7000111.4L380 L381 L386 Y424 L425 K430 M431 V432 T460 L463L380-L428 HydrophobicContact CD2-CD2 3.74Å; L380-L428 HydrophobicContact CD2-CG 4.45Å; L380-L428 HydrophobicContact CG-CD2 4.16Å; L381-L428 HydrophobicContact CD2-CD2 3.92Å; L381-L428 HydrophobicContact CG-CD2 4.48Å; L386-L428 HydrophobicContact CD1-CD1 4.02Å; L386-L428 HydrophobicContact CD1-CG 4.39Å; L386-L428 HydrophobicContact CD2-CD1 3.9Å; L386-L428 HydrophobicContact CD2-CD2 4.02Å; L386-L428 HydrophobicContact CD2-CG 4.4Å; L386-L428 HydrophobicContact CG-CD1 4.37Å; Y424-L428 WeakPolarHBondContact O-CG 3.45Å; Y424-L428 PolarHBondContact O-N 2.75Å; L425-L428 PolarHBondContact O-N 2.73Å; L428-K430 VanDerWaalsContact C-N 3.33Å; L428-K430 PolarHBondContact O-N 3.41Å; L428-M431 PolarHBondContact O-N 3.21Å; L428-M431 VanDerWaalsContact O-N 3.1Å; L428-V432 WeakPolarHBondContact O-CB 3.41Å; L428-V432 WeakPolarHBondContact O-CG2 3.24Å; L428-V432 PolarHBondContact O-N 2.99Å; L428-T460 HydrophobicContact CB-CG2 4.41Å; L428-T460 HydrophobicContact CD1-CG2 3.65Å; L428-L463 HydrophobicContact CD1-CD1 4.25Å
429Q96.9Very high97Very high110 Ų11057 Ų5751%0.51429%0.292SS..Hα-helixtrans-57.5-45.3-179.9-176.9179.3-12.900111.7L425 T427 M431 V432 E433L425-Q429 VanDerWaalsContact O-CB 3.31Å; L425-Q429 WeakPolarHBondContact O-CB 3.22Å; L425-Q429 PolarHBondContact O-N 3.42Å; T427-Q429 VanDerWaalsContact C-N 3.32Å; T427-Q429 PolarHBondContact O-N 3.33Å; Q429-M431 VanDerWaalsContact C-N 3.31Å; Q429-M431 PolarHBondContact O-N 3.33Å; Q429-V432 PolarHBondContact O-N 3.4Å; Q429-E433 WeakPolarHBondContact CG-OE1 3.47Å; Q429-E433 PolarHBondContact NE2-OE1 3.23Å; Q429-E433 WeakPolarHBondContact O-CB 3.44Å; Q429-E433 VanDerWaalsContact O-CG 3.32Å; Q429-E433 WeakPolarHBondContact O-CG 3.45Å; Q429-E433 PolarHBondContact O-N 3.28Å
430K97.4Very high97.1Very high143 Ų14354.8 Ų54.862%0.62228%0.275SS*.Hα-helixtrans-62.7-39177.4-68.4168.7-171.5168.40112.2D426 T427 L428 A434D426-K430 WeakPolarHBondContact O-CG 3.29Å; D426-K430 PolarHBondContact O-N 3.21Å; T427-K430 PolarHBondContact O-N 2.94Å; L428-K430 VanDerWaalsContact C-N 3.33Å; L428-K430 PolarHBondContact O-N 3.41Å; K430-A434 PolarHBondContact O-N 2.93Å; K430-A434 VanDerWaalsContact O-N 3.14Å
431M97.6Very high97.2Very high25 Ų2555.7 Ų55.712%0.12328%0.283CS..Hα-helixtrans-69.8-42.6177.8-65.3-178.274.700111.6E376 I377 L380 T427 L428 Q429 E433 A434 V435E376-M431 HydrophobicContact CB-CE 3.91Å; E376-M431 HydrophobicContact CG-CE 3.49Å; E376-M431 VanDerWaalsContact CG-CE 3.49Å; I377-M431 VanDerWaalsContact CA-CE 3.47Å; I377-M431 HydrophobicContact CB-CE 3.79Å; I377-M431 HydrophobicContact CD1-CB 4.03Å; I377-M431 HydrophobicContact CG1-CB 4.2Å; I377-M431 HydrophobicContact CG1-CE 4.24Å; L380-M431 HydrophobicContact CD2-SD 3.5Å; L380-M431 VanDerWaalsContact CD2-SD 3.5Å; T427-M431 HydrophobicContact CG2-SD 4.44Å; T427-M431 WeakPolarHBondContact O-CG 3.47Å; T427-M431 PolarHBondContact O-N 3.21Å; L428-M431 PolarHBondContact O-N 3.21Å; L428-M431 VanDerWaalsContact O-N 3.1Å; Q429-M431 VanDerWaalsContact C-N 3.31Å; Q429-M431 PolarHBondContact O-N 3.33Å; M431-E433 PolarHBondContact O-N 2.74Å; M431-A434 WeakPolarHBondContact O-CB 3.48Å; M431-A434 PolarHBondContact O-N 3.23Å; M431-V435 VanDerWaalsContact O-CG2 3.3Å; M431-V435 WeakPolarHBondContact O-CG2 3.28Å; M431-V435 PolarHBondContact O-N 3.49Å
432V97.8Very high97.3Very high32 Ų3256.7 Ų56.719%0.19429%0.287CS..Hα-helixtrans-58.2-46.8174.6165.30000110.9I377 L428 Q429 A434 V435 R436 M452 V456I377-V432 HydrophobicContact CD1-CG2 3.87Å; L428-V432 WeakPolarHBondContact O-CB 3.41Å; L428-V432 WeakPolarHBondContact O-CG2 3.24Å; L428-V432 PolarHBondContact O-N 2.99Å; Q429-V432 PolarHBondContact O-N 3.4Å; V432-A434 VanDerWaalsContact C-N 3.3Å; V432-A434 PolarHBondContact O-N 2.89Å; V432-V435 PolarHBondContact O-N 3.2Å; V432-R436 VanDerWaalsContact O-CB 3.25Å; V432-R436 WeakPolarHBondContact O-CB 3.39Å; V432-R436 PolarHBondContact O-N 3Å; V432-M452 HydrophobicContact CB-SD 4.3Å; V432-M452 HydrophobicContact CG1-CE 4.42Å; V432-M452 HydrophobicContact CG1-SD 3.71Å; V432-M452 HydrophobicContact CG2-SD 4.17Å; V432-V456 HydrophobicContact CG2-CB 4.39Å; V432-V456 HydrophobicContact CG2-CG1 3.6Å; V432-V456 HydrophobicContact CG2-CG2 4.01Å
433E97.9Very high97.3Very high109 Ų10955.4 Ų55.451%0.50928%0.279SS..Hα-helixtrans-59.8-41.5176.6-74.5171.4-167.300111.5Q429 M431 K437Q429-E433 WeakPolarHBondContact CG-OE1 3.47Å; Q429-E433 PolarHBondContact NE2-OE1 3.23Å; Q429-E433 WeakPolarHBondContact O-CB 3.44Å; Q429-E433 VanDerWaalsContact O-CG 3.32Å; Q429-E433 WeakPolarHBondContact O-CG 3.45Å; Q429-E433 PolarHBondContact O-N 3.28Å; M431-E433 PolarHBondContact O-N 2.74Å; E433-K437 VanDerWaalsContact O-CB 3.24Å; E433-K437 WeakPolarHBondContact O-CB 3.26Å; E433-K437 PolarHBondContact O-N 3.07Å
434A98Very high97.4Very high29 Ų2954.8 Ų54.824%0.2427%0.268CS..Hα-helixtrans-66.9-47176.700000112.5L373 K430 M431 V432 K437 E438L373-A434 HydrophobicContact CD1-CB 4.1Å; L373-A434 HydrophobicContact CD2-CB 4.12Å; K430-A434 PolarHBondContact O-N 2.93Å; K430-A434 VanDerWaalsContact O-N 3.14Å; M431-A434 WeakPolarHBondContact O-CB 3.48Å; M431-A434 PolarHBondContact O-N 3.23Å; V432-A434 VanDerWaalsContact C-N 3.3Å; V432-A434 PolarHBondContact O-N 2.89Å; A434-K437 PolarHBondContact O-N 2.82Å; A434-E438 PolarHBondContact O-N 2.91Å
435V98.2Very high97.4Very high0 Ų054.2 Ų54.20%027%0.27CS..Hα-helixtrans-61.3-49.3177.4172.60000109.9L370 L373 I374 I377 M431 V432 K437 E438 M439 W451 M452L370-V435 HydrophobicContact CD1-CG1 4.02Å; L373-V435 HydrophobicContact CB-CG2 3.75Å; I374-V435 HydrophobicContact CG1-CG1 4.37Å; I377-V435 HydrophobicContact CB-CG2 4.47Å; I377-V435 HydrophobicContact CD1-CG2 4.4Å; I377-V435 HydrophobicContact CG2-CG2 4.08Å; M431-V435 VanDerWaalsContact O-CG2 3.3Å; M431-V435 WeakPolarHBondContact O-CG2 3.28Å; M431-V435 PolarHBondContact O-N 3.49Å; V432-V435 PolarHBondContact O-N 3.2Å; V435-K437 VanDerWaalsContact C-N 3.32Å; V435-K437 PolarHBondContact O-N 3.28Å; V435-E438 PolarHBondContact O-N 3.19Å; V435-M439 HydrophobicContact CG1-CE 3.97Å; V435-M439 VanDerWaalsContact O-CB 3.29Å; V435-M439 WeakPolarHBondContact O-CB 3.41Å; V435-M439 PolarHBondContact O-N 3.47Å; V435-W451 HydrophobicContact CG1-CE3 4.28Å; V435-W451 HydrophobicContact CG1-CH2 4.39Å; V435-W451 HydrophobicContact CG1-CZ3 3.97Å; V435-M452 HydrophobicContact CB-CE 3.76Å; V435-M452 HydrophobicContact CG1-CE 3.4Å; V435-M452 VanDerWaalsContact CG1-CE 3.4Å
436R98.4Very high97.4Very high92 Ų9254 Ų5435%0.34727%0.27SS..Hα-helixtrans-57.8-46.7179.3-170.1-172.9-166.2-67.33.1110.7V432 E438 M439 V440 D445 A448 M452V432-R436 VanDerWaalsContact O-CB 3.25Å; V432-R436 WeakPolarHBondContact O-CB 3.39Å; V432-R436 PolarHBondContact O-N 3Å; R436-E438 VanDerWaalsContact C-N 3.3Å; R436-E438 PolarHBondContact O-N 3.36Å; R436-M439 PolarHBondContact O-N 3.38Å; R436-V440 HydrophobicContact CG-CG1 4.3Å; R436-V440 WeakPolarHBondContact O-CG1 3.14Å; R436-V440 WeakPolarHBondContact O-CG2 3.45Å; R436-V440 PolarHBondContact O-N 2.94Å; R436-D445 IonicContact CZ-OD1 3.79Å; R436-D445 IonicContact CZ-OD2 3.96Å; R436-D445 IonicContact NH1-OD1 2.7Å; R436-D445 PolarHBondContact NH1-OD1 2.91Å; R436-D445 IonicContact NH2-OD1 3.98Å; R436-D445 PolarHBondContact NH2-OD1 3.35Å; R436-D445 IonicContact NH2-OD2 2.96Å; R436-D445 PolarHBondContact NH2-OD2 3.47Å; R436-A448 HydrophobicContact CG-CB 4.26Å; R436-M452 HydrophobicContact CB-CE 4.04Å
437K97.9Very high97.5Very high140 Ų14049.7 Ų49.761%0.60925%0.247SC*.Hα-helixtrans-56.3-44179.4179.7-176.2174.1-171.70112.1E433 A434 V435 V440 N441E433-K437 VanDerWaalsContact O-CB 3.24Å; E433-K437 WeakPolarHBondContact O-CB 3.26Å; E433-K437 PolarHBondContact O-N 3.07Å; A434-K437 PolarHBondContact O-N 2.82Å; V435-K437 VanDerWaalsContact C-N 3.32Å; V435-K437 PolarHBondContact O-N 3.28Å; K437-V440 WeakPolarHBondContact O-CG2 3.3Å; K437-N441 PolarHBondContact O-ND2 3.04Å; K437-N441 VanDerWaalsContact O-ND2 3.12Å
438E97.7Very high97.5Very high51 Ų5146.4 Ų46.424%0.23823%0.227CC..Hα-helixtrans-76.1-37178.7-64.9-60.6146.300112.1R369 L370 L373 A434 V435 R436 V440 N441R369-E438 HydrophobicContact CG-CG 3.87Å; L370-E438 HydrophobicContact CB-CB 4.06Å; L370-E438 HydrophobicContact CD1-CB 4.05Å; L373-E438 HydrophobicContact CD1-CB 4.37Å; L373-E438 HydrophobicContact CD1-CG 3.76Å; A434-E438 PolarHBondContact O-N 2.91Å; V435-E438 PolarHBondContact O-N 3.19Å; R436-E438 VanDerWaalsContact C-N 3.3Å; R436-E438 PolarHBondContact O-N 3.36Å; E438-V440 PolarHBondContact O-N 3.37Å; E438-N441 WeakPolarHBondContact O-CB 3.38Å; E438-N441 PolarHBondContact O-N 2.98Å
439M98.1Very high97.5Very high0 Ų050.7 Ų50.70%025%0.247CC..Hα-helixtrans-64.1-43.7-178.8-167.1169.9-67.600112.2L313 L370 I374 V435 R436 N441 L442 Y443 T447 A448 W451L313-M439 HydrophobicContact CD1-CE 3.52Å; L313-M439 HydrophobicContact CD1-SD 4.17Å; L370-M439 HydrophobicContact CD1-CB 3.94Å; L370-M439 HydrophobicContact CD1-CE 4.05Å; L370-M439 HydrophobicContact CD2-CB 4.08Å; L370-M439 HydrophobicContact CD2-CE 4.46Å; L370-M439 HydrophobicContact CD2-CG 4.16Å; I374-M439 HydrophobicContact CD1-CE 4.04Å; V435-M439 HydrophobicContact CG1-CE 3.97Å; V435-M439 VanDerWaalsContact O-CB 3.29Å; V435-M439 WeakPolarHBondContact O-CB 3.41Å; V435-M439 PolarHBondContact O-N 3.47Å; R436-M439 PolarHBondContact O-N 3.38Å; M439-N441 PolarHBondContact O-N 3.24Å; M439-L442 PolarHBondContact O-N 3.22Å; M439-Y443 HydrophobicContact CG-CD2 3.98Å; M439-Y443 PolarHBondContact O-N 3.08Å; M439-T447 HydrophobicContact SD-CG2 4.47Å; M439-A448 HydrophobicContact CB-CB 4.18Å; M439-A448 HydrophobicContact CG-CB 4.01Å; M439-A448 WeakPolarHBondContact SD-CA 3.41Å; M439-A448 HydrophobicContact SD-CB 3.8Å; M439-W451 HydrophobicContact CE-CB 4.22Å; M439-W451 HydrophobicContact CE-CD2 3.84Å; M439-W451 HydrophobicContact CE-CE3 4.25Å; M439-W451 HydrophobicContact CE-CG 3.8Å; M439-W451 HydrophobicContact SD-CB 4.04Å; M439-W451 HydrophobicContact SD-CG 4.27Å
440V97.6Very high97.5Very high31 Ų3147.9 Ų47.919%0.18823%0.234CC..Hα-helixtrans-69.3-15-179.7-59.10000113.8R22 R436 K437 E438 Y443 D445 A448R22-V440 PolarHBondContact NE-O 3.22Å; R22-V440 PolarHBondContact NH2-O 3.13Å; R436-V440 HydrophobicContact CG-CG1 4.3Å; R436-V440 WeakPolarHBondContact O-CG1 3.14Å; R436-V440 WeakPolarHBondContact O-CG2 3.45Å; R436-V440 PolarHBondContact O-N 2.94Å; K437-V440 WeakPolarHBondContact O-CG2 3.3Å; E438-V440 PolarHBondContact O-N 3.37Å; V440-Y443 CarbonylContact C-O 3.55Å; V440-Y443 WeakPolarHBondContact CA-O 3.49Å; V440-D445 VanDerWaalsContact CG1-OD1 3.32Å; V440-D445 WeakPolarHBondContact CG1-OD1 3.3Å; V440-A448 HydrophobicContact CG1-CB 3.95Å
441N96.8Very high97.5Very high93 Ų9341.3 Ų41.350%0.49721%0.205SC..Hα-helixtrans-75.5-27.7170.9-64.3-29.9000111.9R22 K437 E438 M439R22-N441 WeakPolarHBondContact CD-O 3.37Å; K437-N441 PolarHBondContact O-ND2 3.04Å; K437-N441 VanDerWaalsContact O-ND2 3.12Å; E438-N441 WeakPolarHBondContact O-CB 3.38Å; E438-N441 PolarHBondContact O-N 2.98Å; M439-N441 PolarHBondContact O-N 3.24Å
442L97.9Very high97.5Very high20 Ų2041.1 Ų41.111%0.10520%0.204CC..Hα-helixtrans-104.5-26-175.6-55.6-172.3000112.6P21 R22 Y25 P315 L370 M439P21-L442 CarbonylContact C-O 3.38Å; P21-L442 WeakPolarHBondContact CA-O 3.37Å; R22-L442 PolarHBondContact N-O 2.74Å; Y25-L442 HydrophobicContact CD1-CB 3.71Å; Y25-L442 HydrophobicContact CD1-CD1 4.45Å; Y25-L442 HydrophobicContact CD1-CD2 4.18Å; Y25-L442 HydrophobicContact CD1-CG 4.32Å; Y25-L442 HydrophobicContact CD2-CD2 3.81Å; Y25-L442 HydrophobicContact CE1-CB 4.05Å; Y25-L442 HydrophobicContact CE1-CD1 4.13Å; Y25-L442 HydrophobicContact CE1-CG 4.48Å; Y25-L442 HydrophobicContact CE2-CD1 4.3Å; Y25-L442 HydrophobicContact CE2-CD2 4.18Å; Y25-L442 HydrophobicContact CG-CB 4.2Å; Y25-L442 HydrophobicContact CG-CD2 3.84Å; Y25-L442 HydrophobicContact CG-CG 4.47Å; P315-L442 HydrophobicContact CG-CD1 4.01Å; L370-L442 HydrophobicContact CB-CD1 4.17Å; L370-L442 HydrophobicContact CD2-CD1 3.78Å; M439-L442 PolarHBondContact O-N 3.22Å
443Y98Very high97.5Very high0 Ų046.1 Ų46.10%023%0.226CC..SBendtrans-134.1164.4-174.5-63.5-76.9000111.3A19 P21 R22 L314 P315 L370 M439 V440 T447A19-Y443 HydrophobicContact CB-CD1 4.3Å; A19-Y443 HydrophobicContact CB-CE1 4.23Å; A19-Y443 VanDerWaalsContact O-CE1 3.24Å; A19-Y443 WeakPolarHBondContact O-CE1 3.44Å; P21-Y443 HydrophobicContact CB-CE1 4.1Å; P21-Y443 HydrophobicContact CG-CE1 3.92Å; R22-Y443 PolarHBondContact NE-O 2.63Å; R22-Y443 PolarHBondContact NH2-O 3.26Å; L314-Y443 WeakPolarHBondContact CB-OH 3.45Å; L314-Y443 PolarHBondContact N-OH 2.87Å; P315-Y443 WeakPolarHBondContact CD-OH 3.19Å; P315-Y443 HydrophobicContact CG-CE2 4.1Å; L370-Y443 HydrophobicContact CD2-CD2 4.43Å; L370-Y443 HydrophobicContact CD2-CE2 4.26Å; M439-Y443 HydrophobicContact CG-CD2 3.98Å; M439-Y443 PolarHBondContact O-N 3.08Å; V440-Y443 CarbonylContact C-O 3.55Å; V440-Y443 WeakPolarHBondContact CA-O 3.49Å; Y443-T447 HydrophobicContact CD1-CG2 4.19Å; Y443-T447 HydrophobicContact CG-CG2 3.95Å
444P96.8Very high97.3Very high21 Ų2144.9 Ų44.914%0.13622%0.22CC..  trans-61.6162.9166.6-22.634.2000112.4P20 Q63 S446 T447P20-P444 HydrophobicContact CG-CG 3.99Å; P20-P444 WeakPolarHBondContact O-CD 3.31Å; Q63-P444 HydrophobicContact CB-CB 4.16Å; Q63-P444 HydrophobicContact CG-CG 4.48Å; Q63-P444 VanDerWaalsContact OE1-CG 3.25Å; P444-S446 VanDerWaalsContact C-N 3.26Å; P444-S446 PolarHBondContact O-N 3.37Å; P444-T447 PolarHBondContact O-N 3.42Å
445D96.9Very high97.2Very high60 Ų6044.9 Ų44.932%0.32122%0.215SC..Hα-helixtrans-62-35.5-179.5-154.862.4000112.1R436 V440 T447 A448 E449R436-D445 IonicContact CZ-OD1 3.79Å; R436-D445 IonicContact CZ-OD2 3.96Å; R436-D445 IonicContact NH1-OD1 2.7Å; R436-D445 PolarHBondContact NH1-OD1 2.91Å; R436-D445 IonicContact NH2-OD1 3.98Å; R436-D445 PolarHBondContact NH2-OD1 3.35Å; R436-D445 IonicContact NH2-OD2 2.96Å; R436-D445 PolarHBondContact NH2-OD2 3.47Å; V440-D445 VanDerWaalsContact CG1-OD1 3.32Å; V440-D445 WeakPolarHBondContact CG1-OD1 3.3Å; D445-T447 VanDerWaalsContact C-N 3.3Å; D445-T447 PolarHBondContact O-N 2.95Å; D445-A448 WeakPolarHBondContact O-CA 3.49Å; D445-A448 WeakPolarHBondContact O-CB 3.41Å; D445-A448 PolarHBondContact O-N 3.46Å; D445-E449 PolarHBondContact O-N 3.42Å
446S96.5Very high97.1Very high17 Ų1745.3 Ų45.312%0.11922%0.217CC..Hα-helixtrans-64.1-32.8-179.187.70000113.7V62 Q63 P444 A448 E449 E450V62-S446 VanDerWaalsContact CG1-CB 3.44Å; Q63-S446 PolarHBondContact OE1-OG 3.11Å; P444-S446 VanDerWaalsContact C-N 3.26Å; P444-S446 PolarHBondContact O-N 3.37Å; S446-A448 VanDerWaalsContact C-N 3.3Å; S446-A448 PolarHBondContact O-N 2.67Å; S446-E449 PolarHBondContact O-N 3.09Å; S446-E450 WeakPolarHBondContact O-CB 3.42Å; S446-E450 PolarHBondContact O-N 3.14Å
447T97Very high97Very high0 Ų043.3 Ų43.30%022%0.218CC..Hα-helixtrans-63.4-39.9172.3-54.90000111G18 A19 L310 M439 Y443 P444 D445 W451G18-T447 PolarHBondContact O-OG1 3.43Å; A19-T447 HydrophobicContact CB-CG2 3.52Å; L310-T447 HydrophobicContact CD1-CG2 3.98Å; M439-T447 HydrophobicContact SD-CG2 4.47Å; Y443-T447 HydrophobicContact CD1-CG2 4.19Å; Y443-T447 HydrophobicContact CG-CG2 3.95Å; P444-T447 PolarHBondContact O-N 3.42Å; D445-T447 VanDerWaalsContact C-N 3.3Å; D445-T447 PolarHBondContact O-N 2.95Å; T447-W451 VanDerWaalsContact O-CB 3.3Å; T447-W451 WeakPolarHBondContact O-CB 3.1Å; T447-W451 PolarHBondContact O-N 3.14Å; T447-W451 VanDerWaalsContact O-N 3.08Å
448A97.5Very high96.9Very high1 Ų140.3 Ų40.31%0.00821%0.213CC..Hα-helixtrans-69.7-38.1176.300000112R436 M439 V440 D445 S446 M452R436-A448 HydrophobicContact CG-CB 4.26Å; M439-A448 HydrophobicContact CB-CB 4.18Å; M439-A448 HydrophobicContact CG-CB 4.01Å; M439-A448 WeakPolarHBondContact SD-CA 3.41Å; M439-A448 HydrophobicContact SD-CB 3.8Å; V440-A448 HydrophobicContact CG1-CB 3.95Å; D445-A448 WeakPolarHBondContact O-CA 3.49Å; D445-A448 WeakPolarHBondContact O-CB 3.41Å; D445-A448 PolarHBondContact O-N 3.46Å; S446-A448 VanDerWaalsContact C-N 3.3Å; S446-A448 PolarHBondContact O-N 2.67Å; A448-M452 WeakPolarHBondContact O-CB 3.21Å; A448-M452 WeakPolarHBondContact O-CG 3.44Å; A448-M452 PolarHBondContact O-N 3.02Å; A448-M452 VanDerWaalsContact O-N 3.15Å
449E97.3Very high96.7Very high91 Ų9138.8 Ų38.843%0.42521%0.206SC..Hα-helixtrans-62.8-53.4174.8-68.5177.6158.300111.4D445 S446 W451 M452 E453D445-E449 PolarHBondContact O-N 3.42Å; S446-E449 PolarHBondContact O-N 3.09Å; E449-W451 VanDerWaalsContact C-N 3.33Å; E449-W451 PolarHBondContact O-N 3.49Å; E449-M452 PolarHBondContact O-N 2.89Å; E449-M452 VanDerWaalsContact O-N 3.14Å; E449-E453 WeakPolarHBondContact O-CG 3.46Å; E449-E453 PolarHBondContact O-N 2.89Å
450E97Very high96.6Very high50 Ų5040.3 Ų40.323%0.23422%0.216CC..Hα-helixtrans-55.1-47.9178.3-178.7179.9-175.100111.5R303 L310 S446 M452 E453 E454R303-E450 IonicContact CZ-OE1 2.75Å; R303-E450 IonicContact CZ-OE2 3.79Å; R303-E450 IonicContact NH1-OE1 3.66Å; R303-E450 PolarHBondContact NH1-OE1 3.03Å; R303-E450 IonicContact NH1-OE2 2.81Å; R303-E450 IonicContact NH2-OE1 3.16Å; R303-E450 PolarHBondContact NH2-OE1 2.75Å; R303-E450 IonicContact NH2-OE2 3.51Å; R303-E450 PolarHBondContact NH2-OE2 3.34Å; L310-E450 HydrophobicContact CD1-CB 4.47Å; L310-E450 HydrophobicContact CD1-CG 4.24Å; L310-E450 WeakPolarHBondContact CD1-OE2 3.42Å; S446-E450 WeakPolarHBondContact O-CB 3.42Å; S446-E450 PolarHBondContact O-N 3.14Å; E450-M452 VanDerWaalsContact C-N 3.31Å; E450-M452 PolarHBondContact O-N 3.39Å; E450-E453 PolarHBondContact O-N 3.43Å; E450-E454 WeakPolarHBondContact O-CB 3.35Å; E450-E454 PolarHBondContact O-N 2.94Å
451W97.2Very high96.5Very high5 Ų540.6 Ų40.62%0.01922%0.222CC..Hα-helixtrans-61.7-38.5-179.3-170.692.3000112.4L313 I374 I377 V435 M439 T447 E449 H455 V456L313-W451 HydrophobicContact CD1-CG 4.35Å; I374-W451 HydrophobicContact CG1-CZ2 4.04Å; I374-W451 HydrophobicContact CG2-CZ2 4.05Å; I377-W451 HydrophobicContact CG2-CH2 3.58Å; I377-W451 HydrophobicContact CG2-CZ2 4.43Å; I377-W451 HydrophobicContact CG2-CZ3 4.41Å; V435-W451 HydrophobicContact CG1-CE3 4.28Å; V435-W451 HydrophobicContact CG1-CH2 4.39Å; V435-W451 HydrophobicContact CG1-CZ3 3.97Å; M439-W451 HydrophobicContact CE-CB 4.22Å; M439-W451 HydrophobicContact CE-CD2 3.84Å; M439-W451 HydrophobicContact CE-CE3 4.25Å; M439-W451 HydrophobicContact CE-CG 3.8Å; M439-W451 HydrophobicContact SD-CB 4.04Å; M439-W451 HydrophobicContact SD-CG 4.27Å; T447-W451 VanDerWaalsContact O-CB 3.3Å; T447-W451 WeakPolarHBondContact O-CB 3.1Å; T447-W451 PolarHBondContact O-N 3.14Å; T447-W451 VanDerWaalsContact O-N 3.08Å; E449-W451 VanDerWaalsContact C-N 3.33Å; E449-W451 PolarHBondContact O-N 3.49Å; W451-H455 AromaticContact CD1-CD2 3.49Å; W451-H455 VanDerWaalsContact CD1-CD2 3.49Å; W451-H455 AromaticContact CD1-NE2 3.77Å; W451-H455 AromaticContact CD2-CD2 3.74Å; W451-H455 AromaticContact CE2-CD2 3.45Å; W451-H455 VanDerWaalsContact CE2-CD2 3.45Å; W451-H455 AromaticContact CG-CD2 3.77Å; W451-H455 HydrophobicContact CH2-CB 4.35Å; W451-H455 HydrophobicContact CZ2-CB 4.35Å; W451-H455 AromaticContact CZ2-CD2 4Å; W451-H455 AromaticContact NE1-CD2 3.3Å; W451-H455 PolarHBondContact NE1-CD2 2.93Å; W451-H455 VanDerWaalsContact NE1-CD2 3.3Å; W451-H455 AromaticContact NE1-NE2 3.6Å; W451-H455 WeakPolarHBondContact O-CB 3.42Å; W451-H455 PolarHBondContact O-CD2 3.1Å; W451-H455 VanDerWaalsContact O-CD2 3.26Å; W451-H455 PolarHBondContact O-N 3.33Å; W451-V456 HydrophobicContact CZ3-CG2 3.9Å
452M97.4Very high96.3Very high21 Ų2137.4 Ų37.410%0.10321%0.206CC..Hα-helixtrans-74.2-38.8178.3-62.4-71.3168.100112V432 V435 R436 A448 E449 E450 E454 V456 S457V432-M452 HydrophobicContact CB-SD 4.3Å; V432-M452 HydrophobicContact CG1-CE 4.42Å; V432-M452 HydrophobicContact CG1-SD 3.71Å; V432-M452 HydrophobicContact CG2-SD 4.17Å; V435-M452 HydrophobicContact CB-CE 3.76Å; V435-M452 HydrophobicContact CG1-CE 3.4Å; V435-M452 VanDerWaalsContact CG1-CE 3.4Å; R436-M452 HydrophobicContact CB-CE 4.04Å; A448-M452 WeakPolarHBondContact O-CB 3.21Å; A448-M452 WeakPolarHBondContact O-CG 3.44Å; A448-M452 PolarHBondContact O-N 3.02Å; A448-M452 VanDerWaalsContact O-N 3.15Å; E449-M452 PolarHBondContact O-N 2.89Å; E449-M452 VanDerWaalsContact O-N 3.14Å; E450-M452 VanDerWaalsContact C-N 3.31Å; E450-M452 PolarHBondContact O-N 3.39Å; M452-E454 VanDerWaalsContact C-N 3.31Å; M452-V456 WeakPolarHBondContact O-CA 3.41Å; M452-V456 VanDerWaalsContact O-CB 3.3Å; M452-V456 WeakPolarHBondContact O-CB 3.37Å; M452-V456 PolarHBondContact O-N 3.27Å; M452-V456 HydrophobicContact SD-CG2 3.79Å; M452-S457 PolarHBondContact O-N 3.3Å; M452-S457 PolarHBondContact O-OG 3.08Å
453E96.6Very high96.2Very high138 Ų13836.5 Ų36.565%0.64520%0.201SC*.Hα-helixtrans-61.9-41.2174.8-74.4-173.1-17900111.4E449 E450 S457 P458E449-E453 WeakPolarHBondContact O-CG 3.46Å; E449-E453 PolarHBondContact O-N 2.89Å; E450-E453 PolarHBondContact O-N 3.43Å; E453-S457 WeakPolarHBondContact O-CB 3.33Å; E453-P458 WeakPolarHBondContact O-CD 3.33Å
454E95.5Very high96Very high82 Ų8240.3 Ų40.338%0.38322%0.219SC..Hα-helixtrans-76.9-46.8-178.6-174.356.3-153.900112.7V309 E450 M452 P458V309-E454 HydrophobicContact CB-CG 4.2Å; V309-E454 HydrophobicContact CG1-CG 4.12Å; E450-E454 WeakPolarHBondContact O-CB 3.35Å; E450-E454 PolarHBondContact O-N 2.94Å; M452-E454 VanDerWaalsContact C-N 3.31Å; E454-P458 WeakPolarHBondContact O-CD 3.4Å; E454-P458 VanDerWaalsContact O-CG 3.24Å; E454-P458 WeakPolarHBondContact O-CG 3.41Å
455H95.2Very high95.9Very high30 Ų3045.6 Ų45.614%0.13924%0.236CC..Hα-helixtrans-95.6-34.7-170.6-62.2-64.2000114.1L381 W451L381-H455 HydrophobicContact CD1-CB 4.4Å; W451-H455 AromaticContact CD1-CD2 3.49Å; W451-H455 VanDerWaalsContact CD1-CD2 3.49Å; W451-H455 AromaticContact CD1-NE2 3.77Å; W451-H455 AromaticContact CD2-CD2 3.74Å; W451-H455 AromaticContact CE2-CD2 3.45Å; W451-H455 VanDerWaalsContact CE2-CD2 3.45Å; W451-H455 AromaticContact CG-CD2 3.77Å; W451-H455 HydrophobicContact CH2-CB 4.35Å; W451-H455 HydrophobicContact CZ2-CB 4.35Å; W451-H455 AromaticContact CZ2-CD2 4Å; W451-H455 AromaticContact NE1-CD2 3.3Å; W451-H455 PolarHBondContact NE1-CD2 2.93Å; W451-H455 VanDerWaalsContact NE1-CD2 3.3Å; W451-H455 AromaticContact NE1-NE2 3.6Å; W451-H455 WeakPolarHBondContact O-CB 3.42Å; W451-H455 PolarHBondContact O-CD2 3.1Å; W451-H455 VanDerWaalsContact O-CD2 3.26Å; W451-H455 PolarHBondContact O-N 3.33Å
456V96.3Very high95.7Very high8 Ų842.8 Ų42.85%0.04822%0.221CC..THydrogen-bonded Turntrans-97.4-42.9-170.7179.60000111.7I377 L381 V432 W451 M452 V459 T460I377-V456 HydrophobicContact CD1-CG2 4.07Å; L381-V456 HydrophobicContact CD1-CG2 4.12Å; V432-V456 HydrophobicContact CG2-CB 4.39Å; V432-V456 HydrophobicContact CG2-CG1 3.6Å; V432-V456 HydrophobicContact CG2-CG2 4.01Å; W451-V456 HydrophobicContact CZ3-CG2 3.9Å; M452-V456 WeakPolarHBondContact O-CA 3.41Å; M452-V456 VanDerWaalsContact O-CB 3.3Å; M452-V456 WeakPolarHBondContact O-CB 3.37Å; M452-V456 PolarHBondContact O-N 3.27Å; M452-V456 HydrophobicContact SD-CG2 3.79Å; V456-V459 PolarHBondContact O-N 3.19Å; V456-V459 VanDerWaalsContact O-N 3.15Å; V456-T460 HydrophobicContact CG1-CG2 3.69Å; V456-T460 PolarHBondContact O-N 2.83Å; V456-T460 PolarHBondContact O-OG1 2.88Å
457S96.1Very high95.6Very high50 Ų5042.9 Ų42.935%0.3522%0.22SC..Hα-helixtrans-61-38.7-174.8-59.30000113.9M452 E453 V459 T460 A461M452-S457 PolarHBondContact O-N 3.3Å; M452-S457 PolarHBondContact O-OG 3.08Å; E453-S457 WeakPolarHBondContact O-CB 3.33Å; S457-V459 PolarHBondContact O-N 3.21Å; S457-V459 VanDerWaalsContact O-N 3.15Å; S457-T460 WeakPolarHBondContact CA-OG1 3.4Å; S457-T460 PolarHBondContact O-N 3.22Å; S457-T460 PolarHBondContact O-OG1 3.36Å; S457-A461 WeakPolarHBondContact O-CB 3Å; S457-A461 PolarHBondContact O-N 2.81Å
458P94.9Very high95.5Very high78 Ų7847.8 Ų47.851%0.50625%0.246SC..Hα-helixtrans-61.7-24.6177.5-26.837.7000113.9E453 E454 P462E453-P458 WeakPolarHBondContact O-CD 3.33Å; E454-P458 WeakPolarHBondContact O-CD 3.4Å; E454-P458 VanDerWaalsContact O-CG 3.24Å; E454-P458 WeakPolarHBondContact O-CG 3.41Å; P458-P462 WeakPolarHBondContact O-CD 3.27Å; P458-P462 VanDerWaalsContact O-CG 3.25Å; P458-P462 WeakPolarHBondContact O-CG 3.41Å
459V94.9Very high95.2Very high18 Ų1849.4 Ų49.411%0.10926%0.26CS..Hα-helixtrans-95.1-38.5-179.8-170.60000112.2L381 L386 V456 S457 P462L381-V459 HydrophobicContact CD2-CB 3.87Å; L381-V459 HydrophobicContact CD2-CG1 4.28Å; L381-V459 HydrophobicContact CD2-CG2 3.87Å; L386-V459 HydrophobicContact CD2-CB 4.44Å; L386-V459 HydrophobicContact CD2-CG1 3.31Å; L386-V459 HydrophobicContact CG-CG1 3.75Å; V456-V459 PolarHBondContact O-N 3.19Å; V456-V459 VanDerWaalsContact O-N 3.15Å; S457-V459 PolarHBondContact O-N 3.21Å; S457-V459 VanDerWaalsContact O-N 3.15Å; V459-P462 WeakPolarHBondContact O-CD 3.37Å
460T95.1Very high95Very high32 Ų3245.4 Ų45.420%0.19624%0.241CC..Hα-helixtrans-75.4-36.1179.752.80000112.9L425 L428 V456 S457 L463 Q464L425-T460 HydrophobicContact CD2-CG2 3.85Å; L428-T460 HydrophobicContact CB-CG2 4.41Å; L428-T460 HydrophobicContact CD1-CG2 3.65Å; V456-T460 HydrophobicContact CG1-CG2 3.69Å; V456-T460 PolarHBondContact O-N 2.83Å; V456-T460 PolarHBondContact O-OG1 2.88Å; S457-T460 WeakPolarHBondContact CA-OG1 3.4Å; S457-T460 PolarHBondContact O-N 3.22Å; S457-T460 PolarHBondContact O-OG1 3.36Å; T460-L463 WeakPolarHBondContact O-CB 3.32Å; T460-L463 PolarHBondContact O-N 3.28Å; T460-L463 VanDerWaalsContact O-N 3.16Å; T460-Q464 PolarHBondContact O-N 3.16Å
461A95.1Very high94.7Very high38 Ų3845.9 Ų45.931%0.31425%0.249SC..Hα-helixtrans-61.6-43.2-177.700000113.8S457 Q464 R465S457-A461 WeakPolarHBondContact O-CB 3Å; S457-A461 PolarHBondContact O-N 2.81Å; A461-Q464 PolarHBondContact O-N 3.22Å; A461-R465 WeakPolarHBondContact O-CG 3.32Å; A461-R465 PolarHBondContact O-N 2.97Å
462P93.3Very high94.2Very high25 Ų2547.5 Ų47.516%0.16227%0.267CS..Hα-helixtrans-57.5-43.8170.5-23.330.8000114E390 P458 V459 R465 I466E390-P462 HydrophobicContact CG-CB 4.27Å; P458-P462 WeakPolarHBondContact O-CD 3.27Å; P458-P462 VanDerWaalsContact O-CG 3.25Å; P458-P462 WeakPolarHBondContact O-CG 3.41Å; V459-P462 WeakPolarHBondContact O-CD 3.37Å; P462-R465 PolarHBondContact O-N 3.33Å; P462-I466 WeakPolarHBondContact O-CG1 3.34Å; P462-I466 PolarHBondContact O-N 3.34Å
463L94.7Very high93.8Very high1 Ų146.9 Ų46.91%0.00526%0.264CS..Hα-helixtrans-61.6-46.7178.6-63.3175000110.9L386 F389 A421 L425 L428 T460 R465 I466 I467L386-L463 HydrophobicContact CD1-CD1 4.44Å; F389-L463 HydrophobicContact CB-CD2 3.65Å; F389-L463 HydrophobicContact CD1-CD2 3.36Å; F389-L463 HydrophobicContact CD2-CD2 3.94Å; F389-L463 HydrophobicContact CE1-CD2 3.95Å; F389-L463 HydrophobicContact CE2-CD2 4.46Å; F389-L463 HydrophobicContact CG-CD2 3.35Å; F389-L463 HydrophobicContact CZ-CD2 4.46Å; A421-L463 HydrophobicContact CB-CD2 4.27Å; L425-L463 HydrophobicContact CD1-CB 4.21Å; L425-L463 HydrophobicContact CD2-CB 3.84Å; L425-L463 HydrophobicContact CD2-CD1 3.89Å; L425-L463 HydrophobicContact CG-CB 3.9Å; L425-L463 HydrophobicContact CG-CD1 4.21Å; L428-L463 HydrophobicContact CD1-CD1 4.25Å; T460-L463 WeakPolarHBondContact O-CB 3.32Å; T460-L463 PolarHBondContact O-N 3.28Å; T460-L463 VanDerWaalsContact O-N 3.16Å; L463-R465 PolarHBondContact O-N 3.03Å; L463-I466 PolarHBondContact O-N 3.28Å; L463-I467 WeakPolarHBondContact O-CG1 3.39Å; L463-I467 PolarHBondContact O-N 2.98Å; L463-I467 VanDerWaalsContact O-N 3.1Å
464Q95.4Very high93.3Very high81 Ų8142 Ų4238%0.37924%0.244SC..Hα-helixtrans-61.4-44.3178.3-169.862.255.900111.6L425 T460 A461 I466 I467 D468L425-Q464 HydrophobicContact CD1-CB 4.36Å; T460-Q464 PolarHBondContact O-N 3.16Å; A461-Q464 PolarHBondContact O-N 3.22Å; Q464-I466 VanDerWaalsContact C-N 3.26Å; Q464-I466 PolarHBondContact O-N 2.91Å; Q464-I467 PolarHBondContact O-N 3.3Å; Q464-D468 PolarHBondContact NE2-OD1 2.87Å; Q464-D468 VanDerWaalsContact O-CG 3.23Å; Q464-D468 PolarHBondContact O-N 3.26Å
465R93.9Very high92.9Very high132 Ų13246 Ų4650%0.49826%0.26SS..Hα-helixtrans-58.4-37.1176.6-75.2-170.5-58.3-95.36.2113E390 A461 P462 L463 A469E390-R465 IonicContact OE2-NH2 3.7Å; A461-R465 WeakPolarHBondContact O-CG 3.32Å; A461-R465 PolarHBondContact O-N 2.97Å; P462-R465 PolarHBondContact O-N 3.33Å; L463-R465 PolarHBondContact O-N 3.03Å; R465-A469 WeakPolarHBondContact O-CB 3.47Å; R465-A469 PolarHBondContact O-N 3.41Å; R465-A469 VanDerWaalsContact O-N 3.14Å
466I92.9Very high92.2Very high0 Ų050.3 Ų50.30%028%0.28CS..Hα-helixtrans-67.3-48.7176.8-68.4167.8000110.4F389 E390 V395 F399 I417 P462 L463 Q464 D468 A469 I470F389-I466 HydrophobicContact CD1-CD1 3.53Å; F389-I466 HydrophobicContact CE1-CD1 3.62Å; E390-I466 HydrophobicContact CG-CD1 3.66Å; E390-I466 HydrophobicContact CG-CG1 4.35Å; V395-I466 HydrophobicContact CG1-CD1 4.46Å; V395-I466 HydrophobicContact CG2-CD1 4.4Å; F399-I466 HydrophobicContact CD1-CG2 4.04Å; F399-I466 HydrophobicContact CE1-CG2 4.04Å; I417-I466 HydrophobicContact CG2-CG2 3.58Å; P462-I466 WeakPolarHBondContact O-CG1 3.34Å; P462-I466 PolarHBondContact O-N 3.34Å; L463-I466 PolarHBondContact O-N 3.28Å; Q464-I466 VanDerWaalsContact C-N 3.26Å; Q464-I466 PolarHBondContact O-N 2.91Å; I466-D468 VanDerWaalsContact C-N 3.31Å; I466-D468 PolarHBondContact O-N 3.44Å; I466-A469 PolarHBondContact O-N 2.92Å; I466-I470 HydrophobicContact CG2-CD1 3.69Å; I466-I470 HydrophobicContact CG2-CG1 4.38Å; I466-I470 VanDerWaalsContact O-CG1 3.29Å; I466-I470 WeakPolarHBondContact O-CG1 3.35Å; I466-I470 PolarHBondContact O-N 3.21Å; I466-I470 VanDerWaalsContact O-N 3.13Å
467I94.5Very high91.5Very high19 Ų1954.1 Ų54.110%0.09730%0.299CS..Hα-helixtrans-56-48.5179.1-72.2167.9000110.3A421 L425 L463 Q464 A469 I470 P471A421-I467 HydrophobicContact CB-CD1 3.88Å; A421-I467 HydrophobicContact CB-CG1 3.74Å; L425-I467 HydrophobicContact CD1-CD1 3.36Å; L425-I467 HydrophobicContact CG-CD1 4.26Å; L463-I467 WeakPolarHBondContact O-CG1 3.39Å; L463-I467 PolarHBondContact O-N 2.98Å; L463-I467 VanDerWaalsContact O-N 3.1Å; Q464-I467 PolarHBondContact O-N 3.3Å; I467-A469 VanDerWaalsContact C-N 3.33Å; I467-A469 PolarHBondContact O-N 3.34Å; I467-I470 PolarHBondContact O-N 3.12Å; I467-P471 WeakPolarHBondContact O-CD 3.23Å
468D94.4Very high90.4Very high103 Ų10355.1 Ų55.155%0.55130%0.302SS*.Hα-helixtrans-67.6-33-177.7-63.7-17.6000112.6Q464 I466Q464-D468 PolarHBondContact NE2-OD1 2.87Å; Q464-D468 VanDerWaalsContact O-CG 3.23Å; Q464-D468 PolarHBondContact O-N 3.26Å; I466-D468 VanDerWaalsContact C-N 3.31Å; I466-D468 PolarHBondContact O-N 3.44Å
469A92.4Very high88.7Confident35 Ų3560.7 Ų60.729%0.28934%0.339SS..Hα-helixtrans-77.5-29.1-17800000113.7F399 R465 I466 I467 G472 C473F399-A469 HydrophobicContact CE1-CB 4.11Å; F399-A469 HydrophobicContact CZ-CB 3.82Å; R465-A469 WeakPolarHBondContact O-CB 3.47Å; R465-A469 PolarHBondContact O-N 3.41Å; R465-A469 VanDerWaalsContact O-N 3.14Å; I466-A469 PolarHBondContact O-N 2.92Å; I467-A469 VanDerWaalsContact C-N 3.33Å; I467-A469 PolarHBondContact O-N 3.34Å; A469-G472 PolarHBondContact O-N 2.89Å; A469-C473 PolarHBondContact O-N 2.92Å; A469-C473 PolarHBondContact O-SG 2.96Å; A469-C473 VanDerWaalsContact O-SG 3.35Å
470I92.9Very high88.4Confident8 Ų862.9 Ų62.94%0.04135%0.35CS..Hα-helixtrans-60.5-50.4-174.2-78166000112.6F399 I417 H418 I466 I467 G472 C473 V474F399-I470 HydrophobicContact CD1-CG1 4.32Å; F399-I470 HydrophobicContact CD2-CG1 4.18Å; F399-I470 HydrophobicContact CE1-CD1 4.48Å; F399-I470 HydrophobicContact CE1-CG1 3.79Å; F399-I470 HydrophobicContact CE2-CB 4.5Å; F399-I470 HydrophobicContact CE2-CG1 3.63Å; F399-I470 HydrophobicContact CZ-CB 4.31Å; F399-I470 HydrophobicContact CZ-CG1 3.42Å; F399-I470 VanDerWaalsContact CZ-CG1 3.42Å; I417-I470 HydrophobicContact CB-CD1 4.26Å; I417-I470 HydrophobicContact CG2-CD1 3.94Å; H418-I470 HydrophobicContact CB-CD1 3.74Å; H418-I470 HydrophobicContact CB-CG2 4.38Å; I466-I470 HydrophobicContact CG2-CD1 3.69Å; I466-I470 HydrophobicContact CG2-CG1 4.38Å; I466-I470 VanDerWaalsContact O-CG1 3.29Å; I466-I470 WeakPolarHBondContact O-CG1 3.35Å; I466-I470 PolarHBondContact O-N 3.21Å; I466-I470 VanDerWaalsContact O-N 3.13Å; I467-I470 PolarHBondContact O-N 3.12Å; I470-G472 VanDerWaalsContact C-N 3.25Å; I470-G472 PolarHBondContact O-N 3.34Å; I470-C473 PolarHBondContact O-N 3.44Å; I470-V474 HydrophobicContact CG2-CG2 4.03Å; I470-V474 WeakPolarHBondContact O-CG2 3.38Å; I470-V474 PolarHBondContact O-N 2.84Å
471P89.8Confident88.1Confident60 Ų6064.5 Ų64.539%0.3936%0.358SS..Hα-helixtrans-56.2-38.9-180-27.434.3000113.3I467 K475I467-P471 WeakPolarHBondContact O-CD 3.23Å; P471-K475 WeakPolarHBondContact O-CB 3.39Å; P471-K475 VanDerWaalsContact O-CG 3.27Å; P471-K475 WeakPolarHBondContact O-CG 3.43Å; P471-K475 PolarHBondContact O-N 3.35Å; P471-K475 VanDerWaalsContact O-N 3.14Å
472G87.7Confident87.7Confident38 Ų3865.9 Ų65.939%0.39236%0.361SS..Hα-helixtrans-67.2-34.1178.400000113.4A469 I470 E476A469-G472 PolarHBondContact O-N 2.89Å; I470-G472 VanDerWaalsContact C-N 3.25Å; I470-G472 PolarHBondContact O-N 3.34Å; G472-E476 WeakPolarHBondContact O-CG 3.37Å
473C87.3Confident87.4Confident8 Ų868.4 Ų68.45%0.05437%0.372CS..Hα-helixtrans-78.5-38.4177-61.30000112.2F399 V409 A469 I470 E476F399-C473 HydrophobicContact CE2-CB 4.14Å; V409-C473 HydrophobicContact CB-CB 4.36Å; V409-C473 HydrophobicContact CG1-CB 3.67Å; V409-C473 HydrophobicContact CG2-CB 3.72Å; A469-C473 PolarHBondContact O-N 2.92Å; A469-C473 PolarHBondContact O-SG 2.96Å; A469-C473 VanDerWaalsContact O-SG 3.35Å; I470-C473 PolarHBondContact O-N 3.44Å; C473-E476 PolarHBondContact O-N 2.94Å
474V87.4Confident86.9Confident35 Ų3572.6 Ų72.621%0.21240%0.395CS..Hα-helixtrans-68.7-39.1-179173.90000111.6V409 P411 I470 E476 M477 V478V409-V474 HydrophobicContact CG2-CG2 4.02Å; P411-V474 HydrophobicContact CB-CG1 4.48Å; I470-V474 HydrophobicContact CG2-CG2 4.03Å; I470-V474 WeakPolarHBondContact O-CG2 3.38Å; I470-V474 PolarHBondContact O-N 2.84Å; V474-E476 PolarHBondContact O-N 2.91Å; V474-E476 VanDerWaalsContact O-N 3.14Å; V474-M477 PolarHBondContact O-N 3.29Å; V474-V478 HydrophobicContact CG1-CG2 4.04Å; V474-V478 PolarHBondContact O-N 3.04Å; V474-V478 VanDerWaalsContact O-N 3.11Å
475K86Confident86.3Confident167 Ų16772 Ų7273%0.72640%0.396SS*.THydrogen-bonded Turntrans-59-23.2177.7-79.2177.5-178.6-178.40114.4P471P471-K475 WeakPolarHBondContact O-CB 3.39Å; P471-K475 VanDerWaalsContact O-CG 3.27Å; P471-K475 WeakPolarHBondContact O-CG 3.43Å; P471-K475 PolarHBondContact O-N 3.35Å; P471-K475 VanDerWaalsContact O-N 3.14Å
476E81.4Confident85.8Confident121 Ų12167.7 Ų67.757%0.56539%0.389SS*.THydrogen-bonded Turntrans-88.9-13.2-179.7-62-95.4-16200111.9K407 G472 C473 V474K407-E476 HydrophobicContact CB-CB 4.11Å; K407-E476 HydrophobicContact CB-CG 4.13Å; K407-E476 HydrophobicContact CD-CB 4.46Å; K407-E476 HydrophobicContact CD-CG 3.61Å; K407-E476 WeakPolarHBondContact CD-OE1 3.41Å; K407-E476 IonicContact NZ-OE1 2.78Å; K407-E476 PolarHBondContact NZ-OE1 3.24Å; G472-E476 WeakPolarHBondContact O-CG 3.37Å; C473-E476 PolarHBondContact O-N 2.94Å; V474-E476 PolarHBondContact O-N 2.91Å; V474-E476 VanDerWaalsContact O-N 3.14Å
477M81.3Confident85.2Confident88 Ų8872.9 Ų72.943%0.43342%0.419SS..THydrogen-bonded Turntrans-105.8-19.2-177.8-69.2-64.7-61.100113.3M408 V409 V474M408-M477 HydrophobicContact CB-SD 4.36Å; M408-M477 HydrophobicContact CG-SD 4.28Å; V409-M477 HydrophobicContact CG2-CG 4.26Å; V474-M477 PolarHBondContact O-N 3.29Å
478V72.8Confident84.5Confident71 Ų7177.4 Ų77.443%0.4345%0.446SS..  trans-119.1131-177.9-173.50000108.5P411 V474P411-V478 HydrophobicContact CB-CG2 4.37Å; P411-V478 HydrophobicContact CG-CG2 3.87Å; V474-V478 HydrophobicContact CG1-CG2 4.04Å; V474-V478 PolarHBondContact O-N 3.04Å; V474-V478 VanDerWaalsContact O-N 3.11Å
479P60.3Low83.6Confident195 Ų19575.1 Ų75.1100%1.26644%0.436SS*.  trans-55.90-178.4-24.332.7000115.8

Retrieved 479 of 479 residues in 661.6 ms (Link to these results)

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